#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 1.65 -4.58 -1.46 -0.04 -1.26 -4.37 135.00 124.94 2h1x n PRO 8 Ca 0.00 -0.98 -0.32 0.00 -0.04 0.00 0.00 63.50 62.16 2h1x n PRO 8 Cb 0.00 -1.35 -0.16 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.45 2.08 0.28 1.53 2.96 -1.26 -0.69 118.68 122.12 2h1x s LEU 9 Ca 0.29 -0.60 0.04 0.00 -0.22 0.00 0.00 54.13 53.65 2h1x s LEU 9 Cb 0.16 -1.42 -0.06 0.00 0.50 0.00 0.00 46.19 45.37 2h1x s LEU 9 CO 0.23 0.06 0.01 -0.94 -1.32 0.00 0.00 176.35 174.39 2h1x s SER 10 N 0.89 2.24 0.28 3.68 1.04 -0.41 -4.42 113.70 117.01 2h1x s SER 10 Ca -0.05 -1.27 0.02 0.00 0.48 0.00 0.00 55.95 55.13 2h1x s SER 10 Cb -0.15 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.86 2h1x s SER 10 CO -0.03 -0.51 0.15 0.28 0.98 0.00 0.00 173.24 174.11 2h1x s THR 11 N -3.28 0.30 -0.27 2.02 -1.32 -1.26 -1.54 115.64 110.29 2h1x s THR 11 Ca 0.32 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 58.72 2h1x s THR 11 Cb 0.06 -2.53 0.13 0.00 -1.51 0.00 0.00 72.50 68.64 2h1x s THR 11 CO 0.12 0.00 0.57 -2.28 -2.21 0.00 0.00 174.62 170.82 2h1x s HIS 12 N -3.72 -1.20 -0.25 9.09 2.46 -1.26 -4.14 115.29 116.27 2h1x s HIS 12 Ca 0.37 1.98 -0.08 0.00 0.47 0.00 0.00 55.06 57.79 2h1x s HIS 12 Cb 0.06 0.61 -0.04 0.00 -0.13 0.00 0.00 32.58 33.08 2h1x s HIS 12 CO 0.16 -0.64 0.11 0.08 -2.47 0.00 0.00 174.74 171.98 2h1x s VAL 13 N 2.80 4.70 -0.19 0.89 1.01 0.14 -0.58 120.40 129.17 2h1x s VAL 13 Ca -0.01 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2h1x s VAL 13 Cb -0.12 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.08 2h1x s VAL 13 CO -0.17 0.33 -0.18 -0.76 0.00 0.00 0.00 175.10 174.32 2h1x s LEU 14 N 1.47 2.30 -0.85 3.92 1.43 -0.23 0.13 118.68 126.85 2h1x s LEU 14 Ca 0.06 -0.68 -0.24 0.00 -1.03 0.00 0.00 54.13 52.24 2h1x s LEU 14 Cb -0.15 -1.51 0.05 0.00 0.03 0.00 0.00 46.19 44.61 2h1x s LEU 14 CO 0.05 -0.02 1.28 0.21 0.23 0.00 0.00 176.35 178.11 2h1x s ASN 15 N 1.30 6.33 0.00 2.29 3.84 -0.10 -0.26 114.94 128.33 2h1x s ASN 15 Ca 0.04 -1.03 0.29 0.00 0.21 0.00 0.00 52.86 52.37 2h1x s ASN 15 Cb -0.14 -2.53 1.21 0.00 -0.55 0.00 0.00 41.25 39.24 2h1x s ASN 15 CO -0.11 -1.60 1.90 2.30 -2.79 0.00 0.00 177.10 176.80 2h1x n ILE 16 N 6.42 0.00 0.10 -5.21 -5.35 0.01 -0.97 119.36 114.36 2h1x n ILE 16 Ca 0.15 -0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.58 2h1x n ILE 16 Cb 0.49 -0.43 0.09 0.00 -1.74 0.00 0.00 39.64 38.05 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 3.05 0.77 0.00 -1.28 0.00 -1.89 -3.35 119.26 116.57 2h1x h ALA 17 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2h1x h ALA 17 Cb 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2h1x h ALA 17 CO 0.00 0.82 -0.33 1.04 0.00 0.00 0.00 179.25 180.77 2h1x n GLN 18 N -3.77 4.78 -2.08 0.00 6.02 -1.10 -5.02 117.38 116.21 2h1x n GLN 18 Ca -0.02 -0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.92 2h1x n GLN 18 Cb 0.68 -0.80 -0.00 0.00 1.02 0.00 0.00 30.24 31.14 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 1.20 0.20 3.08 1.08 0.00 -0.14 -5.04 105.19 105.57 2h1x n GLY 19 Ca 0.01 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.20 0.51 0.44 1.61 -7.23 -1.10 -5.03 120.40 107.39 2h1x s VAL 20 Ca 0.00 -1.36 -0.24 0.00 -1.81 0.00 0.00 61.98 58.57 2h1x s VAL 20 Cb -0.00 -0.94 -0.10 0.00 0.56 0.00 0.00 36.38 35.90 2h1x s VAL 20 CO 0.00 -0.58 1.04 -0.81 -0.31 0.00 0.00 175.10 174.44 2h1x n PRO 21 N 0.95 1.39 -2.48 4.82 -0.04 -1.26 -0.92 135.00 137.45 2h1x n PRO 21 Ca -0.19 0.50 -0.40 0.00 -0.04 0.00 0.00 63.50 63.37 2h1x n PRO 21 Cb 0.57 -2.10 -0.03 0.00 -0.04 0.00 0.00 33.50 31.90 2h1x n PRO 21 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2h1x s GLY 22 N -0.75 0.92 0.22 0.55 0.00 0.34 -4.60 107.32 103.99 2h1x s GLY 22 Ca 0.64 -1.64 -0.22 0.00 0.00 0.00 0.00 44.72 43.50 2h1x s GLY 22 CO 0.56 2.78 0.76 0.00 0.00 0.00 0.00 173.10 177.20 2h1x s ALA 23 N 6.00 3.40 -1.43 3.20 0.00 -1.26 -4.24 121.76 127.43 2h1x s ALA 23 Ca 0.44 0.25 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 2h1x s ALA 23 Cb -0.05 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.18 2h1x s ALA 23 CO 0.05 0.30 0.12 0.09 0.00 0.00 0.00 175.76 176.33 2h1x n ASN 24 N 0.89 -5.13 -4.71 0.00 4.13 -0.71 -4.95 115.26 104.78 2h1x n ASN 24 Ca -0.03 -0.07 -0.39 0.00 1.68 0.00 0.00 54.58 55.78 2h1x n ASN 24 Cb 0.50 -4.16 -0.06 0.00 -1.54 0.00 0.00 39.78 34.52 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 -5.01 4.32 0.16 3.52 1.75 -1.26 -4.77 119.30 118.01 2h1x s MET 25 Ca 0.06 0.54 -0.31 0.00 -1.25 0.00 0.00 55.69 54.73 2h1x s MET 25 Cb -0.03 -3.47 -0.08 0.00 2.84 0.00 0.00 34.83 34.09 2h1x s MET 25 CO 0.07 0.06 1.35 0.99 -0.65 0.00 0.00 175.02 176.84 2h1x s THR 26 N 0.93 3.25 -0.04 10.11 2.01 -1.26 -1.02 115.64 129.62 2h1x s THR 26 Ca 0.28 0.96 0.03 0.00 0.31 0.00 0.00 61.69 63.27 2h1x s THR 26 Cb -0.16 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.74 2h1x s THR 26 CO 0.12 0.11 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.42 2h1x s ILE 27 N 0.57 0.95 -0.11 1.82 1.01 -0.56 -1.33 121.20 123.54 2h1x s ILE 27 Ca 0.60 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.84 2h1x s ILE 27 Cb -0.37 -0.85 0.01 0.00 0.01 0.00 0.00 42.46 41.27 2h1x s ILE 27 CO 0.35 0.30 -0.16 -0.69 0.00 0.00 0.00 174.94 174.73 2h1x s VAL 28 N 0.30 1.54 -0.10 2.92 1.01 -0.29 0.41 120.40 126.19 2h1x s VAL 28 Ca -0.06 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 2h1x s VAL 28 Cb -0.11 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 2h1x s VAL 28 CO 0.01 0.45 0.49 -0.22 0.00 0.00 0.00 175.10 175.84 2h1x s LEU 29 N 0.98 4.30 0.24 3.92 2.96 0.82 -0.80 118.68 131.11 2h1x s LEU 29 Ca -0.06 0.87 0.11 0.00 -0.22 0.00 0.00 54.13 54.83 2h1x s LEU 29 Cb -0.15 -2.73 -0.05 0.00 0.50 0.00 0.00 46.19 43.77 2h1x s LEU 29 CO -0.02 0.02 -0.20 -1.00 -1.32 0.00 0.00 176.35 173.83 2h1x s HIS 30 N 0.47 2.20 0.01 5.38 3.76 0.13 0.13 115.29 127.37 2h1x s HIS 30 Ca 0.27 -0.37 0.03 0.00 -0.15 0.00 0.00 55.06 54.83 2h1x s HIS 30 Cb -0.16 -1.00 -0.01 0.00 1.11 0.00 0.00 32.58 32.52 2h1x s HIS 30 CO 0.11 0.60 -0.09 0.50 -0.85 0.00 0.00 174.74 175.01 2h1x s ARG 31 N -3.26 0.66 -0.12 1.40 3.52 -0.91 -1.99 118.95 118.24 2h1x s ARG 31 Ca 0.26 -0.47 -0.23 0.00 -0.13 0.00 0.00 55.73 55.16 2h1x s ARG 31 Cb -0.05 -0.60 -0.03 0.00 -1.56 0.00 0.00 34.95 32.71 2h1x s ARG 31 CO 0.12 0.15 0.72 -1.17 -0.81 0.00 0.00 175.30 174.31 2h1x s LEU 32 N -0.66 4.25 -0.30 -0.88 2.96 -0.31 -2.52 118.68 121.22 2h1x s LEU 32 Ca -0.00 1.12 -0.29 0.00 -0.22 0.00 0.00 54.13 54.74 2h1x s LEU 32 Cb -0.05 -3.08 0.01 0.00 0.50 0.00 0.00 46.19 43.57 2h1x s LEU 32 CO 0.00 -0.21 1.13 -0.62 -1.32 0.00 0.00 176.35 175.33 2h1x s ASP 33 N 0.96 6.88 0.76 3.68 -1.08 -0.20 -4.57 116.67 123.10 2h1x s ASP 33 Ca 0.36 1.14 -0.15 0.00 -0.52 0.00 0.00 52.55 53.38 2h1x s ASP 33 Cb -0.17 -2.54 0.05 0.00 -1.46 0.00 0.00 42.92 38.80 2h1x s ASP 33 CO 0.15 -0.91 1.24 -2.16 0.52 0.00 0.00 175.17 174.02 2h1x s PRO 34 N 3.74 1.92 0.00 4.34 0.04 -1.26 -3.58 135.00 140.19 2h1x s PRO 34 Ca 0.48 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2h1x s PRO 34 Cb -0.14 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2h1x s PRO 34 CO 0.17 -2.03 0.00 1.55 0.04 0.00 0.00 177.00 176.72 2h1x n VAL 35 N -2.84 0.00 -1.62 -0.36 3.14 -1.26 -4.92 118.33 110.47 2h1x n VAL 35 Ca 0.14 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.21 2h1x n VAL 35 Cb 0.50 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 33.32 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 -1.29 5.46 -0.08 6.55 1.04 -1.24 -4.94 113.70 119.21 2h1x s SER 36 Ca 0.00 1.62 0.04 0.00 0.48 0.00 0.00 55.95 58.09 2h1x s SER 36 Cb 0.00 -2.50 0.26 0.00 0.10 0.00 0.00 66.02 63.89 2h1x s SER 36 CO 0.00 -1.39 0.90 -1.54 0.98 0.00 0.00 173.24 172.19 2h1x n SER 37 N -3.04 2.52 -4.62 7.02 3.41 -1.26 -4.57 113.62 113.07 2h1x n SER 37 Ca 0.07 -2.30 -0.41 0.00 -0.26 0.00 0.00 58.87 55.98 2h1x n SER 37 Cb 0.53 -0.56 -0.06 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.57 3.59 0.05 7.33 0.00 -1.26 -4.92 121.76 124.99 2h1x s ALA 38 Ca 0.17 -0.44 -0.22 0.00 0.00 0.00 0.00 51.96 51.48 2h1x s ALA 38 Cb 0.13 -3.10 -0.06 0.00 0.00 0.00 0.00 23.12 20.09 2h1x s ALA 38 CO 0.05 -0.91 0.65 -1.58 0.00 0.00 0.00 175.76 173.97 2h1x s TRP 39 N 2.61 3.77 0.05 0.00 0.52 -1.26 -1.03 118.94 123.59 2h1x s TRP 39 Ca 0.28 1.34 0.00 0.00 0.02 0.00 0.00 56.10 57.74 2h1x s TRP 39 Cb -0.15 -2.64 -0.03 0.00 -1.15 0.00 0.00 33.47 29.50 2h1x s TRP 39 CO 0.09 0.43 -0.04 -0.80 0.02 0.00 0.00 176.95 176.65 2h1x s ASN 40 N -0.59 0.57 0.25 2.95 0.01 -1.05 -5.00 114.94 112.08 2h1x s ASN 40 Ca 0.33 -0.74 -0.30 0.00 -0.71 0.00 0.00 52.86 51.44 2h1x s ASN 40 Cb -0.20 0.12 -0.10 0.00 0.41 0.00 0.00 41.25 41.48 2h1x s ASN 40 CO 0.20 -0.40 1.42 -0.63 -1.51 0.00 0.00 177.10 176.19 2h1x s ILE 41 N -2.53 2.70 -0.26 0.60 1.01 -1.26 -2.14 121.20 119.32 2h1x s ILE 41 Ca -0.04 0.59 -0.12 0.00 0.00 0.00 0.00 60.65 61.09 2h1x s ILE 41 Cb -0.02 -3.38 -0.11 0.00 0.01 0.00 0.00 42.46 38.95 2h1x s ILE 41 CO -0.04 0.10 -0.32 0.18 0.00 0.00 0.00 174.94 174.85 2h1x n LEU 42 N 2.27 1.91 -3.71 2.97 4.32 0.12 -4.88 117.00 120.00 2h1x n LEU 42 Ca 0.06 0.28 -0.13 0.00 -0.02 0.00 0.00 56.01 56.20 2h1x n LEU 42 Cb 0.40 -0.77 -0.09 0.00 -1.62 0.00 0.00 43.42 41.35 2h1x n LEU 42 CO 0.60 0.57 0.16 0.28 -1.22 0.00 0.00 177.39 177.77 2h1x s THR 43 N -2.47 -0.00 -0.07 -5.08 -1.32 -0.96 -5.01 115.64 100.73 2h1x s THR 43 Ca -0.36 0.01 0.02 0.00 -1.21 0.00 0.00 61.69 60.15 2h1x s THR 43 Cb 0.13 -0.67 -0.02 0.00 -1.51 0.00 0.00 72.50 70.43 2h1x s THR 43 CO 0.46 0.00 -0.13 0.42 -2.21 0.00 0.00 174.62 173.16 2h1x s THR 44 N 0.34 3.11 0.22 5.08 -4.23 -1.26 -0.12 115.64 118.78 2h1x s THR 44 Ca -0.01 -0.69 0.04 0.00 -1.18 0.00 0.00 61.69 59.85 2h1x s THR 44 Cb -0.04 -2.25 -0.01 0.00 1.34 0.00 0.00 72.50 71.54 2h1x s THR 44 CO -0.00 0.57 0.22 0.61 -0.54 0.00 0.00 174.62 175.48 2h1x n GLY 45 N 2.63 3.09 2.98 3.99 0.00 0.17 -5.00 105.19 113.03 2h1x n GLY 45 Ca -0.17 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 2h1x n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h1x s ILE 46 N -2.83 -0.00 0.41 -0.61 1.01 -1.26 -1.49 121.20 116.42 2h1x s ILE 46 Ca 0.24 0.01 -0.24 0.00 0.00 0.00 0.00 60.65 60.66 2h1x s ILE 46 Cb 0.01 -0.16 -0.08 0.00 0.01 0.00 0.00 42.46 42.24 2h1x s ILE 46 CO 0.17 0.00 1.12 0.42 0.00 0.00 0.00 174.94 176.66 2h1x s THR 47 N 0.11 3.36 0.00 2.92 -4.23 -0.18 -4.74 115.64 112.88 2h1x s THR 47 Ca -0.00 1.09 0.00 0.00 -1.18 0.00 0.00 61.69 61.59 2h1x s THR 47 Cb -0.01 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.24 2h1x s THR 47 CO -0.00 0.05 0.00 -0.46 -0.54 0.00 0.00 174.62 173.67 2h1x n ASN 48 N -0.06 0.00 0.16 3.99 0.23 -0.06 -1.74 115.26 117.78 2h1x n ASN 48 Ca 0.05 -0.99 0.09 0.00 -0.53 0.00 0.00 54.58 53.21 2h1x n ASN 48 Cb 0.48 0.00 0.60 0.00 -2.08 0.00 0.00 39.78 38.78 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 0.00 0.10 -0.45 0.53 3.45 -1.93 -0.81 116.42 117.30 2h1x h ASP 49 Ca 0.00 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2h1x h ASP 49 Cb 0.00 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 38.75 2h1x h ASP 49 CO 0.00 0.07 0.00 -0.67 -1.57 0.00 0.00 179.24 177.07 2h1x n ASP 50 N -4.50 3.44 -0.43 6.45 -0.08 -1.26 -4.70 116.55 115.47 2h1x n ASP 50 Ca 0.01 -2.31 -0.06 0.00 -1.51 0.00 0.00 54.79 50.92 2h1x n ASP 50 Cb 0.18 -0.48 -0.02 0.00 2.34 0.00 0.00 41.12 43.13 2h1x n ASP 50 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2h1x n GLY 51 N 0.87 0.80 3.76 0.27 0.00 -0.31 -4.78 105.19 105.80 2h1x n GLY 51 Ca 0.18 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.14 2.59 -0.38 1.61 0.52 -1.26 -0.68 118.95 119.21 2h1x s ARG 52 Ca 0.00 -1.31 0.02 0.00 -0.52 0.00 0.00 55.73 53.91 2h1x s ARG 52 Cb 0.00 -2.35 0.15 0.00 0.52 0.00 0.00 34.95 33.27 2h1x s ARG 52 CO 0.00 0.25 0.27 0.00 0.02 0.00 0.00 175.30 175.84 2h1x s PRO 54 N 0.67 2.22 -0.09 0.00 0.04 -1.26 -4.11 135.00 132.47 2h1x s PRO 54 Ca 0.24 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.37 2h1x s PRO 54 Cb -0.12 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2h1x s PRO 54 CO -0.08 -1.64 0.00 0.41 0.04 0.00 0.00 177.00 175.73 2h1x n GLY 55 N -1.33 0.46 0.27 0.56 0.00 -1.26 -4.96 105.19 98.93 2h1x n GLY 55 Ca 0.09 -0.83 -0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 0.59 -7.46 0.99 3.38 -1.77 -3.45 115.31 107.58 2h1x h LEU 56 Ca -0.02 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2h1x h LEU 56 Cb 0.06 -0.08 -0.18 0.00 0.09 0.00 0.00 40.66 40.55 2h1x h LEU 56 CO 0.03 0.37 -0.20 -0.51 0.09 0.00 0.00 178.44 178.21 2h1x s ILE 57 N -6.08 0.06 0.28 1.22 2.07 -1.26 -4.62 121.20 112.87 2h1x s ILE 57 Ca -0.13 -0.50 -0.15 0.00 -1.41 0.00 0.00 60.65 58.46 2h1x s ILE 57 Cb 0.17 -0.80 -0.08 0.00 0.13 0.00 0.00 42.46 41.88 2h1x s ILE 57 CO 0.77 -0.28 0.70 0.42 -1.91 0.00 0.00 174.94 174.64 2h1x s THR 58 N -1.90 4.70 0.30 4.00 -4.23 -1.26 -4.06 115.64 113.19 2h1x s THR 58 Ca -0.09 0.96 0.02 0.00 -1.18 0.00 0.00 61.69 61.40 2h1x s THR 58 Cb -0.03 -3.67 0.29 0.00 1.34 0.00 0.00 72.50 70.43 2h1x s THR 58 CO 0.01 -0.06 1.88 0.50 -0.54 0.00 0.00 174.62 176.42 2h1x h LYS 59 N 2.63 0.94 -0.66 3.99 1.63 -1.95 -1.05 116.57 122.09 2h1x h LYS 59 Ca -0.48 -0.06 0.03 0.00 -0.85 0.00 0.00 60.65 59.29 2h1x h LYS 59 Cb 1.18 -0.21 -0.04 0.00 -0.60 0.00 0.00 32.23 32.56 2h1x h LYS 59 CO 0.66 0.62 0.44 0.93 -3.45 0.00 0.00 179.45 178.65 2h1x h GLU 60 N 0.97 0.80 -0.21 1.90 5.08 -2.00 -2.62 114.58 118.50 2h1x h GLU 60 Ca 0.43 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 2h1x h GLU 60 Cb 0.37 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2h1x h GLU 60 CO -0.19 0.53 0.00 -1.71 -1.00 0.00 0.00 179.01 176.64 2h1x n ASN 61 N -4.45 2.68 -4.49 1.42 5.15 -0.51 -4.73 115.26 110.33 2h1x n ASN 61 Ca 0.08 -1.87 -0.43 0.00 -0.60 0.00 0.00 54.58 51.76 2h1x n ASN 61 Cb 0.10 -0.13 -0.02 0.00 -0.53 0.00 0.00 39.78 39.21 2h1x n ASN 61 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2h1x s PHE 62 N -1.74 3.08 0.27 1.20 5.36 -0.54 -4.88 117.98 120.72 2h1x s PHE 62 Ca 0.35 -1.52 0.07 0.00 -0.96 0.00 0.00 56.93 54.86 2h1x s PHE 62 Cb 0.21 -4.42 -0.03 0.00 -0.34 0.00 0.00 43.02 38.43 2h1x s PHE 62 CO 0.30 -1.58 0.21 0.96 -1.46 0.00 0.00 175.22 173.65 2h1x s ILE 63 N 2.99 4.26 0.35 3.12 -4.36 -1.26 -4.93 121.20 121.37 2h1x s ILE 63 Ca 0.40 -1.40 -0.28 0.00 -0.26 0.00 0.00 60.65 59.11 2h1x s ILE 63 Cb -0.02 -3.36 -0.12 0.00 1.25 0.00 0.00 42.46 40.21 2h1x s ILE 63 CO -0.05 -0.32 1.44 0.00 0.24 0.00 0.00 174.94 176.26 2h1x n ALA 64 N -1.22 2.03 0.00 2.27 0.00 -1.26 -4.90 120.51 117.43 2h1x n ALA 64 Ca -0.07 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2h1x n ALA 64 Cb 0.58 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 0.87 -1.28 3.53 0.00 0.00 -0.03 -5.00 105.19 103.28 2h1x n GLY 65 Ca 0.04 -1.21 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 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 4.26 0.27 1.61 1.01 -1.26 -0.65 120.40 122.63 2h1x s VAL 66 Ca 0.00 -0.22 0.12 0.00 0.00 0.00 0.00 61.98 61.88 2h1x s VAL 66 Cb 0.00 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 2h1x s VAL 66 CO 0.00 0.46 -0.20 -0.31 0.00 0.00 0.00 175.10 175.05 2h1x s TYR 67 N 0.58 2.31 -0.05 5.22 2.02 -0.00 -1.17 117.35 126.26 2h1x s TYR 67 Ca 0.00 -0.33 -0.02 0.00 -0.37 0.00 0.00 57.07 56.35 2h1x s TYR 67 Cb -0.14 -1.02 0.04 0.00 -0.40 0.00 0.00 41.96 40.44 2h1x s TYR 67 CO 0.02 0.68 0.11 0.21 -1.57 0.00 0.00 175.55 175.00 2h1x s LYS 68 N -3.39 0.03 -0.23 -0.62 2.20 -0.84 -0.87 119.74 116.02 2h1x s LYS 68 Ca 0.29 0.34 -0.06 0.00 -0.36 0.00 0.00 55.97 56.17 2h1x s LYS 68 Cb -0.06 -0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.01 2h1x s LYS 68 CO 0.14 -0.19 0.04 -1.64 -0.36 0.00 0.00 175.35 173.34 2h1x s MET 69 N 1.34 3.64 -0.21 4.03 -1.94 -0.29 -0.69 119.30 125.18 2h1x s MET 69 Ca -0.07 -0.49 -0.07 0.00 -1.71 0.00 0.00 55.69 53.35 2h1x s MET 69 Cb -0.12 -3.22 -0.04 0.00 2.01 0.00 0.00 34.83 33.46 2h1x s MET 69 CO -0.05 -0.11 0.06 0.50 -0.01 0.00 0.00 175.02 175.41 2h1x s ARG 70 N 1.37 3.83 -0.20 2.03 3.52 0.02 -1.14 118.95 128.37 2h1x s ARG 70 Ca 0.05 -0.41 -0.05 0.00 -0.13 0.00 0.00 55.73 55.19 2h1x s ARG 70 Cb -0.15 -3.25 -0.02 0.00 -1.56 0.00 0.00 34.95 29.97 2h1x s ARG 70 CO 0.02 0.08 -0.00 -0.06 -0.81 0.00 0.00 175.30 174.53 2h1x s PHE 71 N 0.89 3.03 -1.33 5.12 0.08 0.65 -1.14 117.98 125.29 2h1x s PHE 71 Ca 0.03 -0.48 -0.14 0.00 0.12 0.00 0.00 56.93 56.46 2h1x s PHE 71 Cb -0.14 -2.09 0.10 0.00 -0.57 0.00 0.00 43.02 40.33 2h1x s PHE 71 CO 0.03 -0.26 1.87 0.39 -0.10 0.00 0.00 175.22 177.15 2h1x n GLU 72 N 4.28 3.22 -0.09 0.44 -0.58 -0.44 -1.46 120.64 126.00 2h1x n GLU 72 Ca -0.17 -3.22 -0.13 0.00 -0.42 0.00 0.00 57.16 53.21 2h1x n GLU 72 Cb 0.52 -3.22 -0.04 0.00 -0.57 0.00 0.00 31.44 28.13 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 4.48 1.30 -0.36 2.62 1.35 -1.83 -1.78 112.91 118.69 2h1x h THR 73 Ca 0.45 -1.45 0.04 0.00 -0.55 0.00 0.00 66.41 64.90 2h1x h THR 73 Cb 0.74 1.57 -0.04 0.00 -1.73 0.00 0.00 68.15 68.69 2h1x h THR 73 CO 1.60 0.47 0.12 1.23 -0.25 0.00 0.00 175.52 178.68 2h1x h GLY 74 N 0.46 0.45 1.54 5.82 0.00 -1.15 -0.00 103.07 110.19 2h1x h GLY 74 Ca 0.05 -0.06 -0.11 0.00 0.00 0.00 0.00 47.33 47.20 2h1x h GLY 74 CO 0.07 0.02 -0.31 0.50 0.00 0.00 0.00 176.54 176.83 2h1x h LYS 75 N 0.26 0.52 -0.06 4.80 1.57 -1.75 -0.23 116.57 121.69 2h1x h LYS 75 Ca 0.16 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2h1x h LYS 75 Cb 0.15 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2h1x h LYS 75 CO -0.18 0.77 0.01 -0.92 -0.57 0.00 0.00 179.45 178.57 2h1x h TYR 76 N 0.45 0.02 -0.27 -1.35 3.20 -0.64 -1.45 116.97 116.93 2h1x h TYR 76 Ca 0.06 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.78 2h1x h TYR 76 Cb 0.76 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.03 2h1x h TYR 76 CO 0.03 0.01 -0.41 -1.49 -1.64 0.00 0.00 178.16 174.66 2h1x h TRP 77 N 0.04 0.93 -0.67 -3.82 4.06 -0.93 -2.87 115.95 112.69 2h1x h TRP 77 Ca 0.03 -0.31 0.11 0.00 2.06 0.00 0.00 58.89 60.77 2h1x h TRP 77 Cb 0.02 -0.18 -0.08 0.00 -1.00 0.00 0.00 29.16 27.92 2h1x h TRP 77 CO -0.10 1.10 0.26 0.22 -3.56 0.00 0.00 178.44 176.36 2h1x h ASP 78 N 0.50 0.26 0.38 -3.49 3.58 -0.31 0.83 116.42 118.16 2h1x h ASP 78 Ca 0.03 0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 2h1x h ASP 78 Cb 1.00 0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.11 2h1x h ASP 78 CO 0.09 0.14 -0.10 0.00 -2.88 0.00 0.00 179.24 176.49 2h1x h ALA 79 N 1.46 1.25 -0.15 -0.78 0.00 -1.20 -1.27 119.26 118.57 2h1x h ALA 79 Ca 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2h1x h ALA 79 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2h1x h ALA 79 CO -0.34 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.31 2h1x n LEU 80 N -3.57 1.39 -0.00 0.00 4.77 0.13 -4.93 117.00 114.79 2h1x n LEU 80 Ca -0.02 -0.59 -0.00 0.00 -0.03 0.00 0.00 56.01 55.37 2h1x n LEU 80 Cb 0.22 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2h1x n LEU 80 CO 0.29 0.30 -0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2h1x n GLY 81 N 1.06 0.47 3.26 -0.72 0.00 -0.48 -5.04 105.19 103.74 2h1x n GLY 81 Ca 0.15 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.55 1.07 0.55 1.61 2.02 -0.31 -4.98 118.70 118.11 2h1x s GLU 82 Ca 0.00 -1.27 -0.04 0.00 0.02 0.00 0.00 54.97 53.68 2h1x s GLU 82 Cb 0.00 -0.99 0.00 0.00 0.10 0.00 0.00 34.13 33.25 2h1x s GLU 82 CO 0.00 0.19 0.83 -0.08 0.02 0.00 0.00 175.26 176.22 2h1x s THR 83 N -2.12 3.79 0.03 3.63 -1.32 -1.26 -1.90 115.64 116.50 2h1x s THR 83 Ca 0.10 -0.14 0.06 0.00 -1.21 0.00 0.00 61.69 60.51 2h1x s THR 83 Cb -0.05 -3.47 -0.02 0.00 -1.51 0.00 0.00 72.50 67.45 2h1x s THR 83 CO 0.04 -0.44 -0.18 0.00 -2.21 0.00 0.00 174.62 171.82 2h1x h PHE 85 N 5.00 0.42 -3.61 0.00 3.57 -1.66 -3.40 116.94 117.26 2h1x h PHE 85 Ca -0.40 -0.05 -0.66 0.00 3.53 0.00 0.00 57.97 60.39 2h1x h PHE 85 Cb 1.16 -0.12 -0.24 0.00 2.79 0.00 0.00 35.95 39.55 2h1x h PHE 85 CO 0.50 0.49 -0.63 0.71 -2.23 0.00 0.00 178.31 177.14 2h1x s TYR 86 N -4.80 3.09 0.33 0.41 2.02 -1.26 -4.99 117.35 112.15 2h1x s TYR 86 Ca -0.07 -0.59 0.09 0.00 -0.37 0.00 0.00 57.07 56.13 2h1x s TYR 86 Cb 0.15 -2.24 0.58 0.00 -0.40 0.00 0.00 41.96 40.06 2h1x s TYR 86 CO 0.75 -0.43 1.77 -1.00 -1.57 0.00 0.00 175.55 175.08 2h1x h PRO 87 N 8.24 0.16 -3.37 -1.71 0.13 -1.96 -3.21 132.00 130.29 2h1x h PRO 87 Ca -0.37 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 2h1x h PRO 87 Cb 1.16 -0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.20 2h1x h PRO 87 CO 0.59 0.50 0.01 1.52 -0.23 0.00 0.00 178.00 180.40 2h1x s TYR 88 N -4.24 0.03 -0.08 1.56 1.13 -1.26 -1.17 117.35 113.31 2h1x s TYR 88 Ca -0.04 -0.40 0.01 0.00 -1.41 0.00 0.00 57.07 55.22 2h1x s TYR 88 Cb 0.14 0.38 0.02 0.00 -1.10 0.00 0.00 41.96 41.40 2h1x s TYR 88 CO 0.75 -1.00 -0.08 0.08 -2.51 0.00 0.00 175.55 172.79 2h1x s VAL 89 N -3.93 0.96 -0.17 -3.49 1.01 -0.53 -4.88 120.40 109.37 2h1x s VAL 89 Ca 0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 2h1x s VAL 89 Cb -0.02 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 2h1x s VAL 89 CO 0.03 0.34 -0.07 -1.61 0.00 0.00 0.00 175.10 173.78 2h1x s GLU 90 N 1.22 3.47 -0.26 2.72 2.02 -1.26 -0.25 118.70 126.36 2h1x s GLU 90 Ca -0.05 -0.61 -0.05 0.00 0.02 0.00 0.00 54.97 54.28 2h1x s GLU 90 Cb -0.14 -2.84 0.01 0.00 0.10 0.00 0.00 34.13 31.25 2h1x s GLU 90 CO -0.02 0.09 0.02 0.42 0.02 0.00 0.00 175.26 175.78 2h1x s ILE 91 N 0.72 3.60 -0.14 -1.63 1.01 -0.29 -4.96 121.20 119.51 2h1x s ILE 91 Ca -0.03 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 59.91 2h1x s ILE 91 Cb -0.15 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 2h1x s ILE 91 CO 0.02 0.22 -0.03 -0.69 0.00 0.00 0.00 174.94 174.46 2h1x s VAL 92 N 1.47 3.99 0.05 2.92 1.01 -1.26 -1.14 120.40 127.43 2h1x s VAL 92 Ca 0.03 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 2h1x s VAL 92 Cb -0.16 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.49 2h1x s VAL 92 CO -0.00 0.51 0.19 0.72 0.00 0.00 0.00 175.10 176.52 2h1x s PHE 93 N 0.11 0.07 -0.22 5.22 -0.71 -0.05 -4.99 117.98 117.40 2h1x s PHE 93 Ca -0.00 -0.32 -0.08 0.00 -1.04 0.00 0.00 56.93 55.49 2h1x s PHE 93 Cb -0.13 -0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.60 2h1x s PHE 93 CO 0.03 -0.44 0.08 0.99 -1.34 0.00 0.00 175.22 174.54 2h1x s THR 94 N -2.74 4.67 -0.29 -4.49 2.01 -1.26 -0.82 115.64 112.72 2h1x s THR 94 Ca -0.04 -0.06 -0.10 0.00 0.31 0.00 0.00 61.69 61.80 2h1x s THR 94 Cb -0.00 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 2h1x s THR 94 CO -0.05 0.38 0.17 -0.63 -0.69 0.00 0.00 174.62 173.80 2h1x s ILE 95 N 1.09 4.98 -0.03 1.82 -1.09 0.18 -4.92 121.20 123.22 2h1x s ILE 95 Ca 0.05 -0.06 0.03 0.00 -2.23 0.00 0.00 60.65 58.44 2h1x s ILE 95 Cb -0.14 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.28 2h1x s ILE 95 CO 0.03 0.20 0.01 0.35 -1.23 0.00 0.00 174.94 174.30 2h1x n THR 96 N 5.03 0.23 -3.43 2.92 -2.24 -1.26 -0.85 114.28 114.67 2h1x n THR 96 Ca -0.14 -0.14 -0.44 0.00 -2.27 0.00 0.00 64.05 61.06 2h1x n THR 96 Cb 0.51 -0.89 -0.05 0.00 -2.10 0.00 0.00 70.33 67.80 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 -3.49 6.27 0.00 3.42 3.84 -1.26 -4.86 114.94 118.87 2h1x s ASN 97 Ca -0.02 -2.55 0.21 0.00 0.21 0.00 0.00 52.86 50.70 2h1x s ASN 97 Cb 0.01 -2.11 1.23 0.00 -0.55 0.00 0.00 41.25 39.82 2h1x s ASN 97 CO 0.13 -0.57 1.76 1.07 -2.79 0.00 0.00 177.10 176.70 2h1x n THR 98 N 4.10 0.00 1.11 -5.21 5.66 -1.26 -3.21 114.28 115.48 2h1x n THR 98 Ca 0.07 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.21 2h1x n THR 98 Cb 0.44 -0.35 0.64 0.00 -1.55 0.00 0.00 70.33 69.50 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 -0.83 0.00 -4.78 1.09 3.41 -1.26 -4.91 113.62 106.33 2h1x n SER 99 Ca 0.15 0.25 -0.22 0.00 -0.26 0.00 0.00 58.87 58.79 2h1x n SER 99 Cb 0.07 -0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 63.56 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 -2.83 2.50 -0.01 4.33 -1.52 -1.20 -5.10 119.66 115.84 2h1x s GLN 100 Ca 0.19 -1.47 -0.16 0.00 -1.95 0.00 0.00 55.36 51.97 2h1x s GLN 100 Cb 0.19 -2.29 -0.06 0.00 -0.22 0.00 0.00 33.01 30.63 2h1x s GLN 100 CO 0.48 0.08 0.44 -1.58 -0.25 0.00 0.00 175.29 174.46 2h1x s HIS 101 N -2.39 3.70 -0.19 0.91 5.65 -1.26 -4.91 115.29 116.80 2h1x s HIS 101 Ca 0.40 1.01 0.01 0.00 0.25 0.00 0.00 55.06 56.72 2h1x s HIS 101 Cb -0.03 -2.37 0.02 0.00 -1.18 0.00 0.00 32.58 29.01 2h1x s HIS 101 CO 0.24 0.54 -0.18 0.71 -0.65 0.00 0.00 174.74 175.41 2h1x s TYR 102 N -0.74 2.83 -0.22 3.88 2.02 0.14 -4.37 117.35 120.89 2h1x s TYR 102 Ca 0.25 -1.62 -0.08 0.00 -0.37 0.00 0.00 57.07 55.25 2h1x s TYR 102 Cb -0.17 -1.94 -0.04 0.00 -0.40 0.00 0.00 41.96 39.41 2h1x s TYR 102 CO 0.13 -0.79 0.07 -1.58 -1.57 0.00 0.00 175.55 171.82 2h1x s HIS 103 N 1.30 3.17 -0.63 2.71 5.65 0.78 -1.29 115.29 126.98 2h1x s HIS 103 Ca 0.04 -0.14 0.05 0.00 0.25 0.00 0.00 55.06 55.26 2h1x s HIS 103 Cb -0.14 -2.17 0.17 0.00 -1.18 0.00 0.00 32.58 29.27 2h1x s HIS 103 CO -0.11 -0.09 0.46 1.33 -0.65 0.00 0.00 174.74 175.67 2h1x n VAL 104 N 4.24 0.91 -1.27 0.89 0.24 -0.59 -0.40 118.33 122.36 2h1x n VAL 104 Ca -0.16 -4.50 -0.29 0.00 -2.04 0.00 0.00 64.34 57.34 2h1x n VAL 104 Cb 0.52 -2.05 0.14 0.00 -1.47 0.00 0.00 33.84 30.99 2h1x n VAL 104 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2h1x s PRO 105 N -1.10 1.07 -0.14 7.34 0.04 -1.26 -4.26 135.00 136.70 2h1x s PRO 105 Ca 0.27 0.64 -0.02 0.00 0.04 0.00 0.00 61.00 61.94 2h1x s PRO 105 Cb -0.02 -1.80 0.04 0.00 0.04 0.00 0.00 34.50 32.76 2h1x s PRO 105 CO -0.18 -2.32 0.00 -1.17 0.04 0.00 0.00 177.00 173.37 2h1x s LEU 106 N -6.23 1.02 -0.40 -3.56 2.96 0.26 -4.35 118.68 108.38 2h1x s LEU 106 Ca 0.64 -0.48 -0.15 0.00 -0.22 0.00 0.00 54.13 53.91 2h1x s LEU 106 Cb -0.17 -0.60 0.01 0.00 0.50 0.00 0.00 46.19 45.93 2h1x s LEU 106 CO 0.56 -0.23 0.31 -0.76 -1.32 0.00 0.00 176.35 174.92 2h1x s LEU 107 N 1.86 4.95 -0.03 -0.68 1.02 0.29 -1.07 118.68 125.02 2h1x s LEU 107 Ca 0.02 -0.76 0.07 0.00 0.02 0.00 0.00 54.13 53.48 2h1x s LEU 107 Cb -0.15 -2.20 -0.02 0.00 0.02 0.00 0.00 46.19 43.85 2h1x s LEU 107 CO -0.07 -0.43 -0.24 -0.22 0.02 0.00 0.00 176.35 175.41 2h1x s LEU 108 N 1.77 2.17 0.00 1.79 2.96 0.64 -1.32 118.68 126.69 2h1x s LEU 108 Ca 0.07 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 2h1x s LEU 108 Cb -0.18 -1.38 -0.00 0.00 0.50 0.00 0.00 46.19 45.12 2h1x s LEU 108 CO 0.11 0.31 0.04 -1.54 -1.32 0.00 0.00 176.35 173.95 2h1x n SER 109 N 2.51 1.76 0.19 3.68 3.41 -0.01 -0.81 113.62 124.35 2h1x n SER 109 Ca -0.16 -2.02 0.03 0.00 -0.26 0.00 0.00 58.87 56.45 2h1x n SER 109 Cb 0.51 0.34 0.37 0.00 -0.26 0.00 0.00 64.21 65.18 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 0.00 4.33 3.08 -2.00 -3.33 114.38 116.46 2h1x h ARG 110 Ca -0.17 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 2h1x h ARG 110 Cb 0.58 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.58 2h1x h ARG 110 CO 0.27 0.36 -0.37 1.19 -1.07 0.00 0.00 179.97 180.34 2h1x n PHE 111 N -4.12 0.00 -3.48 3.04 3.72 -1.26 -1.62 117.46 113.74 2h1x n PHE 111 Ca -0.02 -0.96 -0.12 0.00 -0.05 0.00 0.00 57.45 56.30 2h1x n PHE 111 Cb 0.39 -0.17 -0.03 0.00 -0.94 0.00 0.00 39.48 38.73 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 -2.61 -0.52 0.09 4.37 1.04 -1.25 -5.04 113.70 109.77 2h1x s SER 112 Ca 0.30 0.21 -0.19 0.00 0.48 0.00 0.00 55.95 56.75 2h1x s SER 112 Cb 0.28 0.50 0.04 0.00 0.10 0.00 0.00 66.02 66.94 2h1x s SER 112 CO -0.03 -0.73 0.45 -0.72 0.98 0.00 0.00 173.24 173.19 2h1x s TYR 113 N -2.69 -0.30 0.08 5.02 1.13 -1.26 -0.83 117.35 118.51 2h1x s TYR 113 Ca -0.01 0.16 -0.08 0.00 -1.41 0.00 0.00 57.07 55.73 2h1x s TYR 113 Cb -0.01 0.29 -0.00 0.00 -1.10 0.00 0.00 41.96 41.14 2h1x s TYR 113 CO -0.05 -0.66 0.18 -1.54 -2.51 0.00 0.00 175.55 170.97 2h1x s SER 114 N -2.37 0.14 0.07 -0.18 1.04 -0.44 -4.97 113.70 107.00 2h1x s SER 114 Ca -0.02 -0.66 -0.09 0.00 0.48 0.00 0.00 55.95 55.66 2h1x s SER 114 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2h1x s SER 114 CO -0.07 -0.72 0.20 0.28 0.98 0.00 0.00 173.24 173.91 2h1x s THR 115 N -3.81 0.13 0.10 2.02 -1.32 -1.26 -0.55 115.64 110.95 2h1x s THR 115 Ca 0.05 -1.06 -0.10 0.00 -1.21 0.00 0.00 61.69 59.36 2h1x s THR 115 Cb 0.05 -1.18 0.01 0.00 -1.51 0.00 0.00 72.50 69.86 2h1x s THR 115 CO -0.11 -0.59 0.24 -0.72 -2.21 0.00 0.00 174.62 171.24 2h1x s TYR 116 N -3.38 0.09 -0.19 9.09 1.13 -1.26 -5.05 117.35 117.78 2h1x s TYR 116 Ca 0.01 -0.49 -0.29 0.00 -1.41 0.00 0.00 57.07 54.89 2h1x s TYR 116 Cb 0.03 0.01 0.00 0.00 -1.10 0.00 0.00 41.96 40.90 2h1x s TYR 116 CO -0.08 -0.59 1.07 0.50 -2.51 0.00 0.00 175.55 173.93 2h1x s ARG 117 N -3.86 4.30 0.49 -3.49 3.52 -1.26 -4.17 118.95 114.48 2h1x s ARG 117 Ca 0.05 1.42 0.02 0.00 -0.13 0.00 0.00 55.73 57.09 2h1x s ARG 117 Cb 0.04 -3.63 -0.02 0.00 -1.56 0.00 0.00 34.95 29.78 2h1x s ARG 117 CO -0.10 -0.56 0.01 0.20 -0.81 0.00 0.00 175.30 174.04 2h1x s GLY 118 N 1.29 2.95 0.00 8.12 0.00 0.47 -4.97 107.32 115.18 2h1x s GLY 118 Ca 0.47 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.59 2h1x s GLY 118 CO 0.10 -2.16 0.00 -1.26 0.00 0.00 0.00 173.10 169.78