#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h1x n PRO 8 N 0.00 1.22 -4.24 -1.46 -0.04 -1.26 -4.58 135.00 124.65 2h1x n PRO 8 Ca 0.00 -0.33 -0.28 0.00 -0.04 0.00 0.00 63.50 62.85 2h1x n PRO 8 Cb 0.00 -1.44 -0.17 0.00 -0.04 0.00 0.00 33.50 31.85 2h1x n PRO 8 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2h1x s LEU 9 N -1.87 1.56 0.18 1.53 2.96 -1.26 -1.02 118.68 120.76 2h1x s LEU 9 Ca 0.40 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.96 2h1x s LEU 9 Cb 0.19 -1.01 -0.05 0.00 0.50 0.00 0.00 46.19 45.83 2h1x s LEU 9 CO 0.32 -0.03 -0.05 -0.94 -1.32 0.00 0.00 176.35 174.32 2h1x s SER 10 N 1.24 1.72 0.21 3.68 1.04 -0.30 -4.39 113.70 116.91 2h1x s SER 10 Ca -0.02 -1.10 -0.00 0.00 0.48 0.00 0.00 55.95 55.30 2h1x s SER 10 Cb -0.14 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 2h1x s SER 10 CO -0.05 -0.42 0.10 0.28 0.98 0.00 0.00 173.24 174.14 2h1x s THR 11 N -3.40 0.24 -0.18 2.02 -1.32 -1.26 -0.80 115.64 110.94 2h1x s THR 11 Ca 0.21 -1.99 -0.06 0.00 -1.21 0.00 0.00 61.69 58.64 2h1x s THR 11 Cb 0.04 -2.49 0.08 0.00 -1.51 0.00 0.00 72.50 68.62 2h1x s THR 11 CO 0.04 -0.07 0.36 -2.28 -2.21 0.00 0.00 174.62 170.46 2h1x s HIS 12 N -3.98 -0.66 -0.24 9.09 2.46 -1.26 -4.20 115.29 116.50 2h1x s HIS 12 Ca 0.37 1.28 -0.10 0.00 0.47 0.00 0.00 55.06 57.07 2h1x s HIS 12 Cb 0.07 0.16 -0.05 0.00 -0.13 0.00 0.00 32.58 32.64 2h1x s HIS 12 CO 0.11 -0.45 0.15 0.08 -2.47 0.00 0.00 174.74 172.17 2h1x s VAL 13 N 2.54 5.30 -0.17 0.89 1.01 0.35 0.21 120.40 130.53 2h1x s VAL 13 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2h1x s VAL 13 Cb -0.12 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.79 2h1x s VAL 13 CO -0.11 0.35 -0.16 -0.76 0.00 0.00 0.00 175.10 174.42 2h1x s LEU 14 N 1.06 2.38 -0.81 3.92 1.43 0.36 -0.14 118.68 126.88 2h1x s LEU 14 Ca 0.07 -0.54 -0.23 0.00 -1.03 0.00 0.00 54.13 52.41 2h1x s LEU 14 Cb -0.14 -1.55 0.07 0.00 0.03 0.00 0.00 46.19 44.60 2h1x s LEU 14 CO 0.04 0.03 1.18 0.21 0.23 0.00 0.00 176.35 178.05 2h1x s ASN 15 N 1.11 6.33 0.04 2.29 3.84 0.35 -0.43 114.94 128.47 2h1x s ASN 15 Ca 0.00 -1.17 0.28 0.00 0.21 0.00 0.00 52.86 52.18 2h1x s ASN 15 Cb -0.14 -2.48 1.08 0.00 -0.55 0.00 0.00 41.25 39.15 2h1x s ASN 15 CO -0.06 -1.48 1.84 2.30 -2.79 0.00 0.00 177.10 176.92 2h1x n ILE 16 N 6.16 0.10 0.11 -5.21 -5.35 -0.68 -0.66 119.36 113.83 2h1x n ILE 16 Ca 0.11 -0.05 -0.02 0.00 -0.27 0.00 0.00 62.75 62.52 2h1x n ILE 16 Cb 0.48 -0.43 0.21 0.00 -1.74 0.00 0.00 39.64 38.16 2h1x n ILE 16 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2h1x h ALA 17 N 2.91 1.07 -0.00 -1.28 0.00 -1.89 -3.34 119.26 116.72 2h1x h ALA 17 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2h1x h ALA 17 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2h1x h ALA 17 CO 0.00 0.64 -0.30 1.04 0.00 0.00 0.00 179.25 180.63 2h1x n GLN 18 N -3.96 3.45 -2.54 0.00 6.02 -1.03 -5.01 117.38 114.31 2h1x n GLN 18 Ca -0.02 -0.22 -0.14 0.00 -0.01 0.00 0.00 57.00 56.61 2h1x n GLN 18 Cb 0.53 -0.95 0.01 0.00 1.02 0.00 0.00 30.24 30.85 2h1x n GLN 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2h1x n GLY 19 N 1.05 -0.14 3.11 1.08 0.00 0.16 -5.02 105.19 105.43 2h1x n GLY 19 Ca 0.02 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 2h1x n GLY 19 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2h1x s VAL 20 N -2.84 0.31 0.64 1.61 -7.23 -1.04 -5.03 120.40 106.83 2h1x s VAL 20 Ca 0.11 -1.85 -0.16 0.00 -1.81 0.00 0.00 61.98 58.28 2h1x s VAL 20 Cb -0.05 -1.60 -0.01 0.00 0.56 0.00 0.00 36.38 35.28 2h1x s VAL 20 CO 0.14 -0.93 1.12 -2.84 -0.31 0.00 0.00 175.10 172.28 2h1x s PRO 21 N -3.91 2.90 -0.60 4.82 0.02 -1.26 -0.49 135.00 136.48 2h1x s PRO 21 Ca 0.10 1.45 -0.24 0.00 0.02 0.00 0.00 61.00 62.32 2h1x s PRO 21 Cb 0.07 -1.96 0.05 0.00 0.02 0.00 0.00 34.50 32.68 2h1x s PRO 21 CO -0.08 -1.18 0.99 0.20 -0.33 0.00 0.00 177.00 176.61 2h1x s GLY 22 N -2.39 1.33 0.10 0.52 0.00 0.80 -4.53 107.32 103.15 2h1x s GLY 22 Ca 0.68 -1.38 -0.12 0.00 0.00 0.00 0.00 44.72 43.90 2h1x s GLY 22 CO 0.38 2.14 0.47 0.00 0.00 0.00 0.00 173.10 176.09 2h1x s ALA 23 N 4.21 3.66 -1.13 3.20 0.00 -1.26 -4.20 121.76 126.23 2h1x s ALA 23 Ca 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.00 2h1x s ALA 23 Cb -0.13 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.60 2h1x s ALA 23 CO 0.17 0.51 0.00 0.09 0.00 0.00 0.00 175.76 176.53 2h1x n ASN 24 N 0.95 -4.09 -4.72 0.00 4.13 0.21 -4.93 115.26 106.81 2h1x n ASN 24 Ca -0.07 0.06 -0.39 0.00 1.68 0.00 0.00 54.58 55.85 2h1x n ASN 24 Cb 0.52 -3.17 -0.05 0.00 -1.54 0.00 0.00 39.78 35.54 2h1x n ASN 24 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 2h1x s MET 25 N -4.30 4.40 0.07 3.52 1.75 -1.26 -4.77 119.30 118.71 2h1x s MET 25 Ca 0.00 0.73 -0.31 0.00 -1.25 0.00 0.00 55.69 54.86 2h1x s MET 25 Cb 0.00 -3.43 -0.06 0.00 2.84 0.00 0.00 34.83 34.18 2h1x s MET 25 CO 0.00 0.13 1.25 0.99 -0.65 0.00 0.00 175.02 176.73 2h1x s THR 26 N 0.64 3.86 -0.06 10.11 2.01 -1.26 -1.41 115.64 129.53 2h1x s THR 26 Ca 0.33 1.33 0.05 0.00 0.31 0.00 0.00 61.69 63.72 2h1x s THR 26 Cb -0.17 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 2h1x s THR 26 CO 0.15 0.10 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.32 2h1x s ILE 27 N 1.11 1.93 -0.17 1.82 1.01 -0.51 -0.78 121.20 125.61 2h1x s ILE 27 Ca 0.60 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 60.27 2h1x s ILE 27 Cb -0.31 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.53 2h1x s ILE 27 CO 0.29 0.54 -0.20 -0.69 0.00 0.00 0.00 174.94 174.88 2h1x s VAL 28 N -0.02 2.10 -0.06 2.92 1.01 0.14 0.24 120.40 126.73 2h1x s VAL 28 Ca -0.07 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 60.81 2h1x s VAL 28 Cb -0.14 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 2h1x s VAL 28 CO 0.04 0.54 0.45 -0.22 0.00 0.00 0.00 175.10 175.92 2h1x s LEU 29 N 1.22 4.37 0.24 3.92 2.96 0.81 -1.39 118.68 130.81 2h1x s LEU 29 Ca 0.03 0.90 0.07 0.00 -0.22 0.00 0.00 54.13 54.91 2h1x s LEU 29 Cb -0.13 -2.66 -0.05 0.00 0.50 0.00 0.00 46.19 43.84 2h1x s LEU 29 CO -0.11 0.15 -0.11 -1.00 -1.32 0.00 0.00 176.35 173.96 2h1x s HIS 30 N -0.16 1.81 -0.01 5.38 3.76 -0.10 -0.02 115.29 125.96 2h1x s HIS 30 Ca 0.25 -0.63 0.03 0.00 -0.15 0.00 0.00 55.06 54.56 2h1x s HIS 30 Cb -0.16 -0.93 -0.01 0.00 1.11 0.00 0.00 32.58 32.59 2h1x s HIS 30 CO 0.12 0.32 -0.11 0.50 -0.85 0.00 0.00 174.74 174.72 2h1x s ARG 31 N -3.68 0.87 0.17 1.40 3.52 -0.48 -2.04 118.95 118.72 2h1x s ARG 31 Ca 0.26 -0.39 -0.30 0.00 -0.13 0.00 0.00 55.73 55.17 2h1x s ARG 31 Cb 0.01 -0.84 -0.08 0.00 -1.56 0.00 0.00 34.95 32.48 2h1x s ARG 31 CO 0.09 0.23 1.22 -1.17 -0.81 0.00 0.00 175.30 174.86 2h1x s LEU 32 N -0.26 4.43 0.02 -0.88 2.96 0.12 -1.68 118.68 123.40 2h1x s LEU 32 Ca 0.04 2.24 -0.30 0.00 -0.22 0.00 0.00 54.13 55.89 2h1x s LEU 32 Cb -0.04 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.99 2h1x s LEU 32 CO -0.00 -0.41 1.32 -0.62 -1.32 0.00 0.00 176.35 175.32 2h1x s ASP 33 N 0.27 6.93 0.49 3.68 -1.08 -0.12 -4.75 116.67 122.09 2h1x s ASP 33 Ca 0.54 2.07 0.17 0.00 -0.52 0.00 0.00 52.55 54.81 2h1x s ASP 33 Cb -0.33 -2.57 1.18 0.00 -1.46 0.00 0.00 42.92 39.74 2h1x s ASP 33 CO 0.36 -0.64 2.07 1.55 0.52 0.00 0.00 175.17 179.04 2h1x h PRO 34 N 7.42 0.00 0.01 4.34 0.13 -1.94 -3.32 132.00 138.64 2h1x h PRO 34 Ca -0.38 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.36 2h1x h PRO 34 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 2h1x h PRO 34 CO 0.88 0.10 -2.17 1.55 -0.23 0.00 0.00 178.00 178.12 2h1x n VAL 35 N -4.35 1.54 -2.51 1.56 3.14 -1.26 -4.96 118.33 111.49 2h1x n VAL 35 Ca -0.03 -0.34 -0.23 0.00 -2.96 0.00 0.00 64.34 60.79 2h1x n VAL 35 Cb 0.17 -1.85 0.06 0.00 -1.06 0.00 0.00 33.84 31.16 2h1x n VAL 35 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2h1x s SER 36 N -7.18 4.95 -0.02 6.55 1.04 -1.25 -5.00 113.70 112.80 2h1x s SER 36 Ca -0.35 0.03 0.09 0.00 0.48 0.00 0.00 55.95 56.21 2h1x s SER 36 Cb 0.11 -0.75 0.31 0.00 0.10 0.00 0.00 66.02 65.80 2h1x s SER 36 CO 0.55 -1.42 1.21 -1.54 0.98 0.00 0.00 173.24 173.02 2h1x n SER 37 N -2.60 2.08 -4.97 7.02 3.41 -1.26 -4.40 113.62 112.91 2h1x n SER 37 Ca 0.09 -2.09 -0.22 0.00 -0.26 0.00 0.00 58.87 56.40 2h1x n SER 37 Cb 0.60 -0.30 0.03 0.00 -0.26 0.00 0.00 64.21 64.28 2h1x n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h1x s ALA 38 N -1.60 3.84 -0.06 7.33 0.00 -1.26 -4.85 121.76 125.15 2h1x s ALA 38 Ca 0.23 -1.23 0.03 0.00 0.00 0.00 0.00 51.96 50.99 2h1x s ALA 38 Cb 0.13 -2.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 2h1x s ALA 38 CO 0.14 -0.62 -0.14 -1.58 0.00 0.00 0.00 175.76 173.55 2h1x s TRP 39 N -2.69 2.72 -0.23 0.00 0.52 -1.26 -0.94 118.94 117.06 2h1x s TRP 39 Ca 0.54 -0.24 -0.09 0.00 0.02 0.00 0.00 56.10 56.33 2h1x s TRP 39 Cb -0.10 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 2h1x s TRP 39 CO 0.38 0.12 0.12 -0.80 0.02 0.00 0.00 176.95 176.80 2h1x s ASN 40 N -0.55 5.84 0.02 2.95 0.01 -0.67 -4.96 114.94 117.56 2h1x s ASN 40 Ca 0.08 0.05 -0.30 0.00 -0.71 0.00 0.00 52.86 51.98 2h1x s ASN 40 Cb -0.11 -2.04 -0.05 0.00 0.41 0.00 0.00 41.25 39.45 2h1x s ASN 40 CO 0.01 0.08 1.32 -0.63 -1.51 0.00 0.00 177.10 176.37 2h1x s ILE 41 N 0.96 3.82 -0.23 0.60 1.01 -1.26 -1.38 121.20 124.73 2h1x s ILE 41 Ca 0.06 1.24 -0.03 0.00 0.00 0.00 0.00 60.65 61.92 2h1x s ILE 41 Cb -0.13 -3.80 -0.19 0.00 0.01 0.00 0.00 42.46 38.35 2h1x s ILE 41 CO 0.03 0.03 -0.08 0.18 0.00 0.00 0.00 174.94 175.10 2h1x n LEU 42 N 4.86 2.73 -3.53 2.97 4.32 0.97 -4.94 117.00 124.38 2h1x n LEU 42 Ca 0.12 0.02 -0.10 0.00 -0.02 0.00 0.00 56.01 56.03 2h1x n LEU 42 Cb 0.44 -0.95 -0.04 0.00 -1.62 0.00 0.00 43.42 41.26 2h1x n LEU 42 CO 0.57 0.85 0.69 0.28 -1.22 0.00 0.00 177.39 178.56 2h1x s THR 43 N -2.52 0.00 -0.07 -5.08 -1.32 -1.03 -5.00 115.64 100.61 2h1x s THR 43 Ca -0.32 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.20 2h1x s THR 43 Cb 0.09 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 2h1x s THR 43 CO 0.63 0.00 -0.20 0.42 -2.21 0.00 0.00 174.62 173.25 2h1x s THR 44 N -2.18 1.73 0.43 5.08 -4.23 -1.26 -0.13 115.64 115.08 2h1x s THR 44 Ca 0.01 -0.85 0.03 0.00 -1.18 0.00 0.00 61.69 59.70 2h1x s THR 44 Cb -0.01 -1.50 -0.03 0.00 1.34 0.00 0.00 72.50 72.31 2h1x s THR 44 CO -0.03 0.49 0.08 -0.83 -0.54 0.00 0.00 174.62 173.79 2h1x s GLY 45 N 0.26 2.69 -0.02 3.99 0.00 0.14 -4.99 107.32 109.38 2h1x s GLY 45 Ca -0.12 -1.08 -0.01 0.00 0.00 0.00 0.00 44.72 43.51 2h1x s GLY 45 CO 0.06 -1.94 0.04 -0.42 0.00 0.00 0.00 173.10 170.84 2h1x s ILE 46 N -3.10 -0.04 0.34 0.90 -1.09 -1.26 -1.43 121.20 115.52 2h1x s ILE 46 Ca 0.20 0.16 -0.27 0.00 -2.23 0.00 0.00 60.65 58.51 2h1x s ILE 46 Cb 0.03 -0.09 -0.09 0.00 -1.58 0.00 0.00 42.46 40.72 2h1x s ILE 46 CO 0.11 0.07 1.13 0.42 -1.23 0.00 0.00 174.94 175.44 2h1x s THR 47 N 0.83 3.34 0.54 2.92 -4.23 -0.50 -4.71 115.64 113.84 2h1x s THR 47 Ca -0.07 1.22 -0.09 0.00 -1.18 0.00 0.00 61.69 61.57 2h1x s THR 47 Cb -0.10 -3.73 0.13 0.00 1.34 0.00 0.00 72.50 70.14 2h1x s THR 47 CO -0.03 0.20 0.68 -0.46 -0.54 0.00 0.00 174.62 174.47 2h1x n ASN 48 N 0.59 -0.26 0.30 3.99 0.23 0.40 -0.62 115.26 119.90 2h1x n ASN 48 Ca 0.02 -1.18 0.18 0.00 -0.53 0.00 0.00 54.58 53.07 2h1x n ASN 48 Cb 0.46 -0.53 0.97 0.00 -2.08 0.00 0.00 39.78 38.59 2h1x n ASN 48 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2h1x h ASP 49 N -1.11 0.00 -0.32 0.53 3.32 -1.92 0.27 116.42 117.19 2h1x h ASP 49 Ca -0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2h1x h ASP 49 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2h1x h ASP 49 CO 0.16 0.03 0.00 -0.67 -1.72 0.00 0.00 179.24 177.03 2h1x n ASP 50 N -3.45 1.97 -0.60 6.45 2.03 -1.26 -4.66 116.55 117.03 2h1x n ASP 50 Ca -0.02 -1.91 -0.08 0.00 0.52 0.00 0.00 54.79 53.30 2h1x n ASP 50 Cb 0.13 -0.21 -0.03 0.00 -0.72 0.00 0.00 41.12 40.29 2h1x n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2h1x n GLY 51 N 1.12 0.97 3.74 0.27 0.00 0.95 -4.78 105.19 107.47 2h1x n GLY 51 Ca 0.14 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 2h1x n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h1x s ARG 52 N -2.58 2.45 -0.48 1.61 0.52 -1.26 -0.50 118.95 118.71 2h1x s ARG 52 Ca 0.00 -1.45 0.05 0.00 -0.52 0.00 0.00 55.73 53.80 2h1x s ARG 52 Cb 0.00 -2.24 0.18 0.00 0.52 0.00 0.00 34.95 33.41 2h1x s ARG 52 CO 0.00 0.18 0.40 0.00 0.02 0.00 0.00 175.30 175.90 2h1x s PRO 54 N -0.45 3.69 -0.93 0.00 0.02 -1.26 -3.71 135.00 132.35 2h1x s PRO 54 Ca 0.32 2.37 -0.02 0.00 0.02 0.00 0.00 61.00 63.69 2h1x s PRO 54 Cb 0.03 -2.64 0.00 0.00 0.02 0.00 0.00 34.50 31.91 2h1x s PRO 54 CO -0.18 -0.80 0.79 0.41 -0.33 0.00 0.00 177.00 176.89 2h1x n GLY 55 N 0.60 -0.16 0.28 0.52 0.00 -1.26 -4.93 105.19 100.23 2h1x n GLY 55 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 2h1x n GLY 55 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2h1x h LEU 56 N -1.60 0.60 -7.26 0.99 3.38 -1.77 -3.46 115.31 106.20 2h1x h LEU 56 Ca -0.44 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.34 2h1x h LEU 56 Cb 1.26 -0.16 -0.16 0.00 0.09 0.00 0.00 40.66 41.69 2h1x h LEU 56 CO 0.39 0.67 -0.01 -0.51 0.09 0.00 0.00 178.44 179.07 2h1x s ILE 57 N -4.96 0.04 0.38 1.22 2.07 -1.26 -4.84 121.20 113.85 2h1x s ILE 57 Ca -0.08 -0.31 -0.04 0.00 -1.41 0.00 0.00 60.65 58.81 2h1x s ILE 57 Cb 0.15 -0.96 -0.04 0.00 0.13 0.00 0.00 42.46 41.74 2h1x s ILE 57 CO 0.78 -0.17 0.65 0.42 -1.91 0.00 0.00 174.94 174.71 2h1x s THR 58 N -2.42 4.99 0.26 4.00 -4.23 -1.26 -4.13 115.64 112.85 2h1x s THR 58 Ca -0.05 -0.02 -0.03 0.00 -1.18 0.00 0.00 61.69 60.40 2h1x s THR 58 Cb -0.01 -3.82 0.26 0.00 1.34 0.00 0.00 72.50 70.27 2h1x s THR 58 CO -0.02 -0.60 1.88 0.50 -0.54 0.00 0.00 174.62 175.84 2h1x h LYS 59 N 0.84 1.11 -0.37 3.99 1.63 -1.94 -0.40 116.57 121.43 2h1x h LYS 59 Ca -0.48 -0.07 -0.10 0.00 -0.85 0.00 0.00 60.65 59.15 2h1x h LYS 59 Cb 1.20 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 32.57 2h1x h LYS 59 CO 0.63 0.73 -0.19 0.93 -3.45 0.00 0.00 179.45 178.10 2h1x h GLU 60 N 1.14 0.71 0.00 1.90 5.08 -2.01 -2.98 114.58 118.41 2h1x h GLU 60 Ca 0.42 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2h1x h GLU 60 Cb 0.15 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2h1x h GLU 60 CO -0.17 0.85 -0.41 -1.71 -1.00 0.00 0.00 179.01 176.57 2h1x n ASN 61 N -4.13 0.47 -3.75 1.42 5.15 -0.92 -4.48 115.26 109.03 2h1x n ASN 61 Ca 0.00 0.04 -0.42 0.00 -0.60 0.00 0.00 54.58 53.60 2h1x n ASN 61 Cb 0.40 0.02 -0.00 0.00 -0.53 0.00 0.00 39.78 39.67 2h1x n ASN 61 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2h1x n PHE 62 N -1.70 3.49 -2.65 1.20 7.35 -0.21 -4.94 117.46 120.00 2h1x n PHE 62 Ca 0.05 -2.92 -0.29 0.00 -0.76 0.00 0.00 57.45 53.53 2h1x n PHE 62 Cb 0.37 -2.52 -0.02 0.00 0.35 0.00 0.00 39.48 37.66 2h1x n PHE 62 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 2h1x s ILE 63 N 3.32 4.81 0.56 -2.13 -4.36 -1.26 -4.97 121.20 117.18 2h1x s ILE 63 Ca 0.48 0.51 -0.21 0.00 -0.26 0.00 0.00 60.65 61.17 2h1x s ILE 63 Cb 0.14 -3.80 -0.04 0.00 1.25 0.00 0.00 42.46 40.01 2h1x s ILE 63 CO -0.08 -0.72 1.29 0.00 0.24 0.00 0.00 174.94 175.68 2h1x n ALA 64 N -1.83 1.30 0.00 2.27 0.00 -1.26 -4.89 120.51 116.10 2h1x n ALA 64 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2h1x n ALA 64 Cb 0.54 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2h1x n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h1x n GLY 65 N 0.86 -0.21 3.37 0.00 0.00 0.13 -5.00 105.19 104.34 2h1x n GLY 65 Ca 0.12 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 2h1x n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h1x s VAL 66 N -3.00 3.27 0.39 1.61 1.01 -1.26 -0.27 120.40 122.14 2h1x s VAL 66 Ca 0.00 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.49 2h1x s VAL 66 Cb 0.00 -2.42 -0.06 0.00 0.00 0.00 0.00 36.38 33.90 2h1x s VAL 66 CO 0.00 0.49 0.07 -0.31 0.00 0.00 0.00 175.10 175.35 2h1x s TYR 67 N 0.69 2.56 -0.14 5.22 2.02 -0.03 -0.70 117.35 126.97 2h1x s TYR 67 Ca -0.05 -0.57 -0.06 0.00 -0.37 0.00 0.00 57.07 56.02 2h1x s TYR 67 Cb -0.15 -1.76 0.06 0.00 -0.40 0.00 0.00 41.96 39.71 2h1x s TYR 67 CO 0.02 0.36 0.29 0.21 -1.57 0.00 0.00 175.55 174.86 2h1x s LYS 68 N -3.78 0.21 -0.27 -0.62 2.20 -0.87 -1.56 119.74 115.06 2h1x s LYS 68 Ca 0.37 0.72 -0.06 0.00 -0.36 0.00 0.00 55.97 56.64 2h1x s LYS 68 Cb 0.05 -0.01 -0.00 0.00 -1.51 0.00 0.00 37.83 36.35 2h1x s LYS 68 CO 0.20 -0.23 0.05 -1.64 -0.36 0.00 0.00 175.35 173.37 2h1x s MET 69 N 1.98 3.25 -0.25 4.03 -1.94 0.04 -0.92 119.30 125.48 2h1x s MET 69 Ca -0.04 -0.74 -0.12 0.00 -1.71 0.00 0.00 55.69 53.09 2h1x s MET 69 Cb -0.11 -3.29 -0.05 0.00 2.01 0.00 0.00 34.83 33.40 2h1x s MET 69 CO -0.10 -0.35 0.22 0.50 -0.01 0.00 0.00 175.02 175.29 2h1x s ARG 70 N 1.51 4.03 -0.19 2.03 3.52 -0.49 -0.87 118.95 128.50 2h1x s ARG 70 Ca 0.04 -0.20 -0.06 0.00 -0.13 0.00 0.00 55.73 55.37 2h1x s ARG 70 Cb -0.16 -3.59 -0.03 0.00 -1.56 0.00 0.00 34.95 29.60 2h1x s ARG 70 CO 0.01 -0.07 0.04 -0.06 -0.81 0.00 0.00 175.30 174.41 2h1x s PHE 71 N 1.44 3.14 -1.31 5.12 0.08 0.16 -0.68 117.98 125.93 2h1x s PHE 71 Ca 0.09 -0.17 -0.13 0.00 0.12 0.00 0.00 56.93 56.84 2h1x s PHE 71 Cb -0.15 -2.09 0.12 0.00 -0.57 0.00 0.00 43.02 40.33 2h1x s PHE 71 CO 0.08 -0.04 1.81 0.39 -0.10 0.00 0.00 175.22 177.36 2h1x n GLU 72 N 3.93 3.31 -0.02 0.44 -0.58 0.04 -1.24 120.64 126.51 2h1x n GLU 72 Ca -0.17 -3.36 -0.09 0.00 -0.42 0.00 0.00 57.16 53.12 2h1x n GLU 72 Cb 0.52 -3.14 0.07 0.00 -0.57 0.00 0.00 31.44 28.32 2h1x n GLU 72 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 2h1x h THR 73 N 4.37 1.30 -0.23 2.62 1.35 -1.83 -1.44 112.91 119.05 2h1x h THR 73 Ca 0.42 -1.62 -0.02 0.00 -0.55 0.00 0.00 66.41 64.64 2h1x h THR 73 Cb 0.74 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.72 2h1x h THR 73 CO 1.55 0.51 0.08 1.23 -0.25 0.00 0.00 175.52 178.65 2h1x h GLY 74 N 1.01 0.39 1.00 5.82 0.00 -1.28 -0.86 103.07 109.15 2h1x h GLY 74 Ca 0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 2h1x h GLY 74 CO 0.09 0.21 0.19 0.50 0.00 0.00 0.00 176.54 177.53 2h1x h LYS 75 N 0.21 0.89 0.02 4.80 1.57 -1.74 -1.12 116.57 121.21 2h1x h LYS 75 Ca 0.08 -0.19 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2h1x h LYS 75 Cb 0.23 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 2h1x h LYS 75 CO -0.00 0.80 -0.22 -0.92 -0.57 0.00 0.00 179.45 178.54 2h1x h TYR 76 N 0.81 -0.57 -0.32 -1.35 3.20 -1.13 -1.57 116.97 116.03 2h1x h TYR 76 Ca 0.19 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.92 2h1x h TYR 76 Cb 0.27 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 2h1x h TYR 76 CO 0.02 -0.31 -0.42 -1.49 -1.64 0.00 0.00 178.16 174.32 2h1x h TRP 77 N -0.35 0.97 -0.87 -3.82 4.06 -1.09 -2.79 115.95 112.06 2h1x h TRP 77 Ca 0.05 -0.30 0.08 0.00 2.06 0.00 0.00 58.89 60.78 2h1x h TRP 77 Cb 0.42 -0.20 -0.07 0.00 -1.00 0.00 0.00 29.16 28.32 2h1x h TRP 77 CO -0.25 1.08 0.53 0.22 -3.56 0.00 0.00 178.44 176.47 2h1x h ASP 78 N 0.65 0.82 0.55 -3.49 3.58 -0.82 -0.12 116.42 117.58 2h1x h ASP 78 Ca 0.05 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2h1x h ASP 78 Cb 0.99 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.90 2h1x h ASP 78 CO 0.09 0.50 0.00 0.00 -2.88 0.00 0.00 179.24 176.95 2h1x h ALA 79 N 1.44 1.00 -0.28 -0.78 0.00 -1.01 -0.71 119.26 118.91 2h1x h ALA 79 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2h1x h ALA 79 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2h1x h ALA 79 CO -0.20 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.33 2h1x n LEU 80 N -2.35 3.06 -0.01 0.00 4.77 -0.16 -4.96 117.00 117.35 2h1x n LEU 80 Ca 0.01 -1.25 -0.00 0.00 -0.03 0.00 0.00 56.01 54.74 2h1x n LEU 80 Cb 0.18 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2h1x n LEU 80 CO 0.18 0.63 -0.00 0.61 -1.33 0.00 0.00 177.39 177.47 2h1x n GLY 81 N 1.42 0.38 3.15 -0.72 0.00 -0.27 -5.05 105.19 104.10 2h1x n GLY 81 Ca 0.18 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 2h1x n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h1x s GLU 82 N -2.63 0.78 0.39 1.61 2.02 -0.61 -5.00 118.70 115.26 2h1x s GLU 82 Ca 0.00 -1.29 0.00 0.00 0.02 0.00 0.00 54.97 53.70 2h1x s GLU 82 Cb 0.00 -0.14 -0.02 0.00 0.10 0.00 0.00 34.13 34.07 2h1x s GLU 82 CO 0.00 -0.03 0.60 -0.08 0.02 0.00 0.00 175.26 175.77 2h1x s THR 83 N -3.57 4.72 0.02 3.63 -1.32 -1.26 -2.38 115.64 115.49 2h1x s THR 83 Ca 0.10 -0.45 0.05 0.00 -1.21 0.00 0.00 61.69 60.18 2h1x s THR 83 Cb 0.05 -3.73 -0.02 0.00 -1.51 0.00 0.00 72.50 67.29 2h1x s THR 83 CO -0.05 -0.50 -0.14 0.00 -2.21 0.00 0.00 174.62 171.72 2h1x h PHE 85 N 5.21 0.57 -3.73 0.00 3.57 -1.66 -3.41 116.94 117.50 2h1x h PHE 85 Ca -0.37 -0.05 -0.64 0.00 3.53 0.00 0.00 57.97 60.44 2h1x h PHE 85 Cb 1.17 -0.17 -0.20 0.00 2.79 0.00 0.00 35.95 39.54 2h1x h PHE 85 CO 0.49 0.54 -0.58 0.71 -2.23 0.00 0.00 178.31 177.23 2h1x s TYR 86 N -5.04 3.14 0.39 0.41 2.02 -1.26 -4.97 117.35 112.03 2h1x s TYR 86 Ca -0.08 -0.21 0.11 0.00 -0.37 0.00 0.00 57.07 56.52 2h1x s TYR 86 Cb 0.16 -2.29 0.78 0.00 -0.40 0.00 0.00 41.96 40.21 2h1x s TYR 86 CO 0.77 -0.27 1.89 -1.00 -1.57 0.00 0.00 175.55 175.36 2h1x h PRO 87 N 8.24 0.15 -3.01 -1.71 0.13 -1.95 -3.24 132.00 130.61 2h1x h PRO 87 Ca -0.37 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.75 2h1x h PRO 87 Cb 1.18 -0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.21 2h1x h PRO 87 CO 0.57 0.36 0.21 1.52 -0.23 0.00 0.00 178.00 180.44 2h1x s TYR 88 N -4.55 -0.34 -0.07 1.56 1.13 -1.26 -1.46 117.35 112.36 2h1x s TYR 88 Ca -0.05 -0.00 0.02 0.00 -1.41 0.00 0.00 57.07 55.64 2h1x s TYR 88 Cb 0.15 0.63 0.01 0.00 -1.10 0.00 0.00 41.96 41.65 2h1x s TYR 88 CO 0.73 -1.05 -0.12 0.08 -2.51 0.00 0.00 175.55 172.67 2h1x s VAL 89 N -3.84 1.15 -0.13 -3.49 1.01 -0.37 -4.88 120.40 109.84 2h1x s VAL 89 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2h1x s VAL 89 Cb -0.04 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 2h1x s VAL 89 CO -0.02 0.36 -0.15 -1.61 0.00 0.00 0.00 175.10 173.68 2h1x s GLU 90 N 0.72 3.30 -0.24 2.72 2.02 -1.26 0.37 118.70 126.33 2h1x s GLU 90 Ca -0.13 -0.72 -0.06 0.00 0.02 0.00 0.00 54.97 54.07 2h1x s GLU 90 Cb -0.16 -2.59 -0.02 0.00 0.10 0.00 0.00 34.13 31.46 2h1x s GLU 90 CO 0.03 0.16 0.04 0.42 0.02 0.00 0.00 175.26 175.93 2h1x s ILE 91 N 0.48 4.07 -0.13 -1.63 1.01 -0.05 -4.95 121.20 120.00 2h1x s ILE 91 Ca -0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.25 2h1x s ILE 91 Cb -0.16 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 2h1x s ILE 91 CO 0.05 0.35 -0.01 -0.69 0.00 0.00 0.00 174.94 174.64 2h1x s VAL 92 N 1.58 4.15 0.05 2.92 1.01 -1.26 -0.78 120.40 128.06 2h1x s VAL 92 Ca 0.06 -0.28 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 2h1x s VAL 92 Cb -0.15 -2.79 0.03 0.00 0.00 0.00 0.00 36.38 33.47 2h1x s VAL 92 CO 0.02 0.53 0.35 0.72 0.00 0.00 0.00 175.10 176.72 2h1x s PHE 93 N -0.15 -0.17 -0.22 5.22 -0.71 -0.60 -5.00 117.98 116.35 2h1x s PHE 93 Ca 0.04 0.04 -0.08 0.00 -1.04 0.00 0.00 56.93 55.89 2h1x s PHE 93 Cb -0.13 0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 2h1x s PHE 93 CO 0.02 -0.55 0.10 0.99 -1.34 0.00 0.00 175.22 174.44 2h1x s THR 94 N -2.68 4.82 -0.33 -4.49 2.01 -1.26 -0.85 115.64 112.86 2h1x s THR 94 Ca -0.04 -0.01 -0.10 0.00 0.31 0.00 0.00 61.69 61.86 2h1x s THR 94 Cb -0.00 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.29 2h1x s THR 94 CO -0.04 0.38 0.16 -0.63 -0.69 0.00 0.00 174.62 173.80 2h1x s ILE 95 N 1.03 4.46 -0.05 1.82 -1.09 0.62 -4.93 121.20 123.07 2h1x s ILE 95 Ca 0.05 -0.66 -0.01 0.00 -2.23 0.00 0.00 60.65 57.80 2h1x s ILE 95 Cb -0.14 -3.38 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 2h1x s ILE 95 CO 0.04 -0.06 -0.05 0.35 -1.23 0.00 0.00 174.94 173.98 2h1x n THR 96 N 4.96 0.27 -2.84 2.92 -2.24 -1.26 -0.69 114.28 115.40 2h1x n THR 96 Ca -0.13 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.13 2h1x n THR 96 Cb 0.48 -1.06 -0.04 0.00 -2.10 0.00 0.00 70.33 67.61 2h1x n THR 96 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2h1x s ASN 97 N -4.89 6.19 0.00 3.42 3.84 -1.26 -4.82 114.94 117.42 2h1x s ASN 97 Ca -0.07 -1.01 0.26 0.00 0.21 0.00 0.00 52.86 52.26 2h1x s ASN 97 Cb 0.02 -2.43 1.38 0.00 -0.55 0.00 0.00 41.25 39.67 2h1x s ASN 97 CO 0.10 -1.45 1.91 1.07 -2.79 0.00 0.00 177.10 175.94 2h1x n THR 98 N 5.94 0.03 0.96 -5.21 5.66 -1.26 -3.16 114.28 117.23 2h1x n THR 98 Ca -0.02 -0.09 0.14 0.00 -3.05 0.00 0.00 64.05 61.03 2h1x n THR 98 Cb 0.46 -0.16 0.53 0.00 -1.55 0.00 0.00 70.33 69.62 2h1x n THR 98 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2h1x n SER 99 N -0.57 0.17 -4.90 1.09 3.41 -1.26 -4.89 113.62 106.67 2h1x n SER 99 Ca 0.19 0.38 -0.22 0.00 -0.26 0.00 0.00 58.87 58.97 2h1x n SER 99 Cb 0.17 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 2h1x n SER 99 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2h1x s GLN 100 N -3.01 3.19 0.12 4.33 -0.21 -1.19 -5.10 119.66 117.79 2h1x s GLN 100 Ca 0.13 -0.88 -0.17 0.00 0.02 0.00 0.00 55.36 54.47 2h1x s GLN 100 Cb 0.18 -2.74 -0.07 0.00 1.00 0.00 0.00 33.01 31.38 2h1x s GLN 100 CO 0.57 0.43 0.57 -1.58 -2.12 0.00 0.00 175.29 173.15 2h1x s HIS 101 N -2.01 3.68 -0.13 0.91 5.65 -1.26 -4.96 115.29 117.17 2h1x s HIS 101 Ca 0.33 1.17 0.01 0.00 0.25 0.00 0.00 55.06 56.82 2h1x s HIS 101 Cb -0.09 -2.44 0.02 0.00 -1.18 0.00 0.00 32.58 28.89 2h1x s HIS 101 CO 0.27 0.48 -0.15 0.71 -0.65 0.00 0.00 174.74 175.40 2h1x s TYR 102 N -1.34 2.15 -0.16 3.88 2.02 -0.19 -4.37 117.35 119.34 2h1x s TYR 102 Ca 0.35 -1.13 0.01 0.00 -0.37 0.00 0.00 57.07 55.93 2h1x s TYR 102 Cb -0.17 -1.55 0.01 0.00 -0.40 0.00 0.00 41.96 39.85 2h1x s TYR 102 CO 0.19 -0.59 -0.19 -1.58 -1.57 0.00 0.00 175.55 171.81 2h1x s HIS 103 N 1.23 2.74 -0.50 2.71 5.65 0.79 -1.14 115.29 126.77 2h1x s HIS 103 Ca -0.01 -1.34 0.03 0.00 0.25 0.00 0.00 55.06 54.00 2h1x s HIS 103 Cb -0.14 -1.88 0.14 0.00 -1.18 0.00 0.00 32.58 29.53 2h1x s HIS 103 CO -0.06 -0.63 0.30 0.14 -0.65 0.00 0.00 174.74 173.83 2h1x s VAL 104 N 0.99 1.71 0.80 0.89 -7.23 0.02 -0.82 120.40 116.75 2h1x s VAL 104 Ca -0.02 -2.99 -0.11 0.00 -1.81 0.00 0.00 61.98 57.04 2h1x s VAL 104 Cb -0.15 -2.18 0.07 0.00 0.56 0.00 0.00 36.38 34.69 2h1x s VAL 104 CO -0.05 -0.94 1.16 -2.16 -0.31 0.00 0.00 175.10 172.80 2h1x s PRO 105 N -0.10 2.03 -0.16 4.82 0.04 -1.26 -4.26 135.00 136.10 2h1x s PRO 105 Ca 0.21 0.10 -0.03 0.00 0.04 0.00 0.00 61.00 61.31 2h1x s PRO 105 Cb -0.18 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.45 2h1x s PRO 105 CO -0.05 -1.54 0.05 -1.17 0.04 0.00 0.00 177.00 174.33 2h1x s LEU 106 N -5.54 0.80 -0.20 -3.56 2.96 0.13 -4.45 118.68 108.83 2h1x s LEU 106 Ca 0.62 -0.62 -0.18 0.00 -0.22 0.00 0.00 54.13 53.72 2h1x s LEU 106 Cb -0.11 -0.45 -0.03 0.00 0.50 0.00 0.00 46.19 46.10 2h1x s LEU 106 CO 0.49 -0.30 0.50 -0.76 -1.32 0.00 0.00 176.35 174.96 2h1x s LEU 107 N 1.97 4.14 -0.02 -0.68 1.02 -0.53 -0.49 118.68 124.10 2h1x s LEU 107 Ca 0.01 0.64 0.02 0.00 0.02 0.00 0.00 54.13 54.82 2h1x s LEU 107 Cb -0.16 -2.68 0.00 0.00 0.02 0.00 0.00 46.19 43.38 2h1x s LEU 107 CO -0.08 -0.17 -0.06 -0.22 0.02 0.00 0.00 176.35 175.84 2h1x s LEU 108 N 1.65 1.80 0.00 1.79 2.96 0.43 -0.93 118.68 126.38 2h1x s LEU 108 Ca 0.23 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 2h1x s LEU 108 Cb -0.15 -0.35 0.00 0.00 0.50 0.00 0.00 46.19 46.19 2h1x s LEU 108 CO 0.09 0.04 0.00 -1.54 -1.32 0.00 0.00 176.35 173.62 2h1x n SER 109 N 3.25 1.98 0.16 3.68 3.41 -0.00 -1.68 113.62 124.41 2h1x n SER 109 Ca -0.17 -0.85 0.03 0.00 -0.26 0.00 0.00 58.87 57.62 2h1x n SER 109 Cb 0.56 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.71 2h1x n SER 109 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2h1x h ARG 110 N 0.00 0.00 -0.02 4.33 3.08 -2.01 -3.35 114.38 116.41 2h1x h ARG 110 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2h1x h ARG 110 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2h1x h ARG 110 CO 0.00 0.50 0.00 1.19 -1.07 0.00 0.00 179.97 180.59 2h1x n PHE 111 N -3.48 0.05 -3.54 3.04 3.72 -1.26 -1.57 117.46 114.42 2h1x n PHE 111 Ca 0.00 -0.81 -0.12 0.00 -0.05 0.00 0.00 57.45 56.48 2h1x n PHE 111 Cb 0.62 -0.12 -0.04 0.00 -0.94 0.00 0.00 39.48 39.00 2h1x n PHE 111 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2h1x s SER 112 N -2.13 -0.40 0.03 4.37 1.04 -1.26 -5.03 113.70 110.33 2h1x s SER 112 Ca 0.21 -0.11 -0.21 0.00 0.48 0.00 0.00 55.95 56.32 2h1x s SER 112 Cb 0.18 0.52 0.04 0.00 0.10 0.00 0.00 66.02 66.87 2h1x s SER 112 CO 0.03 -0.87 0.47 -0.72 0.98 0.00 0.00 173.24 173.12 2h1x s TYR 113 N -3.55 -0.36 0.04 5.02 1.13 -1.26 -0.82 117.35 117.55 2h1x s TYR 113 Ca 0.01 0.43 -0.03 0.00 -1.41 0.00 0.00 57.07 56.07 2h1x s TYR 113 Cb 0.00 0.27 -0.03 0.00 -1.10 0.00 0.00 41.96 41.11 2h1x s TYR 113 CO -0.11 -0.58 0.02 -1.54 -2.51 0.00 0.00 175.55 170.83 2h1x s SER 114 N -1.82 0.34 0.05 -0.18 1.04 -0.11 -5.00 113.70 108.02 2h1x s SER 114 Ca -0.07 -0.76 -0.08 0.00 0.48 0.00 0.00 55.95 55.52 2h1x s SER 114 Cb -0.01 0.20 -0.00 0.00 0.10 0.00 0.00 66.02 66.31 2h1x s SER 114 CO 0.00 -0.53 0.16 0.28 0.98 0.00 0.00 173.24 174.13 2h1x s THR 115 N -3.14 0.12 0.08 2.02 -1.32 -1.26 -1.46 115.64 110.68 2h1x s THR 115 Ca -0.00 -1.01 -0.07 0.00 -1.21 0.00 0.00 61.69 59.40 2h1x s THR 115 Cb 0.02 -0.99 -0.01 0.00 -1.51 0.00 0.00 72.50 70.01 2h1x s THR 115 CO -0.07 -0.56 0.14 -0.72 -2.21 0.00 0.00 174.62 171.20 2h1x s TYR 116 N -2.82 0.23 -0.25 9.09 1.13 -1.26 -5.06 117.35 118.41 2h1x s TYR 116 Ca -0.03 -0.68 -0.23 0.00 -1.41 0.00 0.00 57.07 54.71 2h1x s TYR 116 Cb 0.00 -0.14 -0.01 0.00 -1.10 0.00 0.00 41.96 40.72 2h1x s TYR 116 CO -0.05 -0.50 0.78 0.50 -2.51 0.00 0.00 175.55 173.77 2h1x s ARG 117 N -3.78 4.15 0.36 -3.49 3.52 -1.26 -4.13 118.95 114.31 2h1x s ARG 117 Ca 0.05 0.82 0.08 0.00 -0.13 0.00 0.00 55.73 56.54 2h1x s ARG 117 Cb 0.05 -3.65 -0.05 0.00 -1.56 0.00 0.00 34.95 29.74 2h1x s ARG 117 CO -0.10 -0.50 0.10 0.20 -0.81 0.00 0.00 175.30 174.18 2h1x s GLY 118 N 1.39 2.08 0.00 8.12 0.00 -0.00 -4.96 107.32 113.96 2h1x s GLY 118 Ca 0.32 -1.94 0.09 0.00 0.00 0.00 0.00 44.72 43.19 2h1x s GLY 118 CO 0.08 -1.85 0.78 -1.26 0.00 0.00 0.00 173.10 170.86