#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h5i n GLY 30 N 0.00 -0.25 3.66 5.00 0.00 -1.26 -5.01 105.19 107.33 2h5i n GLY 30 Ca 0.00 -1.84 -0.46 0.00 0.00 0.00 0.00 46.02 43.72 2h5i n GLY 30 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2h5i n ILE 31 N -2.27 0.48 -4.45 -0.61 2.08 -1.26 -5.02 119.36 108.31 2h5i n ILE 31 Ca 0.06 -0.12 -0.22 0.00 0.56 0.00 0.00 62.75 63.03 2h5i n ILE 31 Cb 0.21 -1.39 -0.16 0.00 -0.75 0.00 0.00 39.64 37.55 2h5i n ILE 31 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2h5i s SER 32 N 0.53 1.38 0.17 4.38 1.04 -1.26 -5.15 113.70 114.79 2h5i s SER 32 Ca 0.74 -0.22 0.06 0.00 0.48 0.00 0.00 55.95 57.02 2h5i s SER 32 Cb -0.71 -0.45 -0.04 0.00 0.10 0.00 0.00 66.02 64.92 2h5i s SER 32 CO 0.45 0.06 0.07 -0.76 0.98 0.00 0.00 173.24 174.04 2h5i s LEU 33 N 0.33 3.57 -0.40 2.42 1.43 -1.26 -5.07 118.68 119.70 2h5i s LEU 33 Ca -0.06 -0.25 0.08 0.00 -1.03 0.00 0.00 54.13 52.87 2h5i s LEU 33 Cb -0.11 -2.20 0.43 0.00 0.03 0.00 0.00 46.19 44.34 2h5i s LEU 33 CO 0.01 0.08 1.08 -0.90 0.23 0.00 0.00 176.35 176.85 2h5i n ASP 34 N -0.23 4.00 -0.64 2.29 5.68 -1.26 -4.86 116.55 121.52 2h5i n ASP 34 Ca -0.09 -3.48 0.12 0.00 -0.50 0.00 0.00 54.79 50.84 2h5i n ASP 34 Cb 0.55 -0.47 0.23 0.00 -1.14 0.00 0.00 41.12 40.29 2h5i n ASP 34 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2h5i n ASN 35 N -0.41 2.14 -4.10 -1.12 3.02 -1.26 -4.93 115.26 108.59 2h5i n ASN 35 Ca 0.33 -1.62 -0.15 0.00 -0.03 0.00 0.00 54.58 53.10 2h5i n ASN 35 Cb 0.72 0.11 -0.12 0.00 -0.61 0.00 0.00 39.78 39.88 2h5i n ASN 35 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2h5i s SER 36 N -2.16 1.19 0.42 6.41 1.04 -1.26 -5.13 113.70 114.21 2h5i s SER 36 Ca 0.28 -0.55 -0.26 0.00 0.48 0.00 0.00 55.95 55.90 2h5i s SER 36 Cb 0.20 -0.01 -0.08 0.00 0.10 0.00 0.00 66.02 66.23 2h5i s SER 36 CO 0.39 -0.13 1.33 -0.31 0.98 0.00 0.00 173.24 175.50 2h5i s TYR 37 N -1.27 2.71 -0.07 5.02 2.02 -1.26 -4.95 117.35 119.56 2h5i s TYR 37 Ca -0.06 1.38 -0.30 0.00 -0.37 0.00 0.00 57.07 57.72 2h5i s TYR 37 Cb -0.10 -3.73 -0.05 0.00 -0.40 0.00 0.00 41.96 37.69 2h5i s TYR 37 CO 0.01 -2.31 1.51 0.21 -1.57 0.00 0.00 175.55 173.40 2h5i s LYS 38 N -2.34 4.21 -0.13 -0.62 2.20 -1.26 -4.88 119.74 116.92 2h5i s LYS 38 Ca 0.59 2.02 0.15 0.00 -0.36 0.00 0.00 55.97 58.37 2h5i s LYS 38 Cb -0.39 -3.85 0.30 0.00 -1.51 0.00 0.00 37.83 32.38 2h5i s LYS 38 CO 0.50 -0.76 1.15 -1.33 -0.36 0.00 0.00 175.35 174.55 2h5i n MET 39 N 6.64 1.11 -1.12 4.03 2.81 -1.26 -4.70 117.12 124.63 2h5i n MET 39 Ca 0.16 -2.54 -0.09 0.00 -1.81 0.00 0.00 57.70 53.42 2h5i n MET 39 Cb 0.43 -1.30 0.14 0.00 -0.71 0.00 0.00 33.22 31.79 2h5i n MET 39 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2h5i n ASP 40 N -1.04 3.26 -4.54 7.83 5.75 -1.26 -4.91 116.55 121.65 2h5i n ASP 40 Ca 0.14 -3.82 -0.29 0.00 -0.01 0.00 0.00 54.79 50.82 2h5i n ASP 40 Cb 0.70 -0.55 0.23 0.00 -1.03 0.00 0.00 41.12 40.47 2h5i n ASP 40 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2h5i s TYR 41 N -3.39 1.52 0.52 2.11 1.51 -1.26 -4.93 117.35 113.45 2h5i s TYR 41 Ca 0.46 1.19 0.17 0.00 -1.01 0.00 0.00 57.07 57.88 2h5i s TYR 41 Cb 0.40 -3.14 1.31 0.00 -0.11 0.00 0.00 41.96 40.42 2h5i s TYR 41 CO -0.01 -3.60 2.16 -1.35 -1.11 0.00 0.00 175.55 171.63 2h5i h PRO 42 N -2.43 0.00 -6.00 -1.71 0.11 -1.94 -3.42 132.00 116.60 2h5i h PRO 42 Ca -0.59 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 64.96 2h5i h PRO 42 Cb 1.33 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.18 2h5i h PRO 42 CO 0.51 0.00 -0.84 -1.21 -0.21 0.00 0.00 178.00 176.26 2h5i s GLU 43 N -5.04 1.34 0.20 1.05 2.02 -0.83 -5.05 118.70 112.39 2h5i s GLU 43 Ca -0.05 -0.93 -0.07 0.00 0.02 0.00 0.00 54.97 53.95 2h5i s GLU 43 Cb 0.17 -1.44 0.14 0.00 0.10 0.00 0.00 34.13 33.10 2h5i s GLU 43 CO 0.66 0.37 1.67 0.52 0.02 0.00 0.00 175.26 178.49 2h5i h MET 44 N 4.86 0.98 0.00 1.61 2.86 -1.82 -1.33 114.93 122.09 2h5i h MET 44 Ca -0.42 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 56.91 2h5i h MET 44 Cb 1.16 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.73 2h5i h MET 44 CO 0.44 0.98 0.00 0.41 1.06 0.00 0.00 176.91 179.80 2h5i n GLY 45 N -0.44 0.90 3.81 8.32 0.00 -1.26 -1.87 105.19 114.64 2h5i n GLY 45 Ca 0.02 -2.13 -0.35 0.00 0.00 0.00 0.00 46.02 43.56 2h5i n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h5i s LEU 46 N 0.00 4.21 -0.29 0.99 1.43 -1.26 -1.75 118.68 122.02 2h5i s LEU 46 Ca 0.00 1.55 0.02 0.00 -1.03 0.00 0.00 54.13 54.67 2h5i s LEU 46 Cb 0.00 -3.97 0.08 0.00 0.03 0.00 0.00 46.19 42.33 2h5i s LEU 46 CO 0.00 -0.11 -0.01 0.00 0.23 0.00 0.00 176.35 176.46 2h5i s ILE 48 N 1.17 5.10 -0.24 0.00 -1.09 -0.41 -1.04 121.20 124.68 2h5i s ILE 48 Ca 0.01 0.90 -0.03 0.00 -2.23 0.00 0.00 60.65 59.30 2h5i s ILE 48 Cb -0.19 -3.83 0.01 0.00 -1.58 0.00 0.00 42.46 36.88 2h5i s ILE 48 CO -0.09 0.14 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.10 2h5i s ILE 49 N 1.91 3.19 -0.34 2.92 1.01 -0.43 -0.85 121.20 128.62 2h5i s ILE 49 Ca 0.22 -0.78 -0.09 0.00 0.00 0.00 0.00 60.65 60.00 2h5i s ILE 49 Cb -0.15 -2.55 0.01 0.00 0.01 0.00 0.00 42.46 39.78 2h5i s ILE 49 CO 0.09 0.27 0.16 -0.63 0.00 0.00 0.00 174.94 174.83 2h5i s ILE 50 N 1.41 4.41 -0.47 2.92 1.01 -0.42 -0.91 121.20 129.14 2h5i s ILE 50 Ca 0.03 -0.71 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 2h5i s ILE 50 Cb -0.16 -3.36 0.12 0.00 0.01 0.00 0.00 42.46 39.08 2h5i s ILE 50 CO -0.03 -0.07 0.28 0.21 0.00 0.00 0.00 174.94 175.32 2h5i s ASN 51 N 1.55 5.32 -0.38 3.58 2.47 -0.21 -1.40 114.94 125.89 2h5i s ASN 51 Ca 0.03 -2.21 -0.13 0.00 0.42 0.00 0.00 52.86 50.97 2h5i s ASN 51 Cb -0.18 -1.86 0.01 0.00 -1.45 0.00 0.00 41.25 37.77 2h5i s ASN 51 CO 0.05 -0.53 0.24 0.20 -3.72 0.00 0.00 177.10 173.35 2h5i s ASN 52 N 1.69 5.90 -0.17 -4.21 0.01 -0.55 -1.78 114.94 115.82 2h5i s ASN 52 Ca 0.10 -0.83 -0.01 0.00 -0.71 0.00 0.00 52.86 51.41 2h5i s ASN 52 Cb -0.23 -2.09 -0.10 0.00 0.41 0.00 0.00 41.25 39.24 2h5i s ASN 52 CO -0.04 -0.37 -0.16 1.17 -1.51 0.00 0.00 177.10 176.19 2h5i n LYS 53 N 5.07 0.41 -4.96 -0.60 4.81 -1.26 -4.57 118.16 117.06 2h5i n LYS 53 Ca -0.12 0.11 -0.33 0.00 -0.87 0.00 0.00 58.31 57.11 2h5i n LYS 53 Cb 0.47 -1.29 -0.15 0.00 0.02 0.00 0.00 35.03 34.08 2h5i n LYS 53 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2h5i s ASN 54 N -5.82 3.65 0.16 3.14 0.01 -1.26 -1.44 114.94 113.39 2h5i s ASN 54 Ca -0.23 -0.42 0.08 0.00 -0.71 0.00 0.00 52.86 51.59 2h5i s ASN 54 Cb 0.07 -1.50 -0.04 0.00 0.41 0.00 0.00 41.25 40.18 2h5i s ASN 54 CO 0.37 0.17 -0.08 -0.36 -1.51 0.00 0.00 177.10 175.69 2h5i s PHE 55 N 0.31 2.70 0.39 2.20 0.40 -1.26 -4.84 117.98 117.88 2h5i s PHE 55 Ca -0.13 -0.19 -0.28 0.00 -0.60 0.00 0.00 56.93 55.73 2h5i s PHE 55 Cb -0.17 -1.34 -0.11 0.00 0.51 0.00 0.00 43.02 41.92 2h5i s PHE 55 CO 0.07 0.50 1.49 -1.01 0.70 0.00 0.00 175.22 176.97 2h5i s HIS 56 N -1.61 2.53 0.29 0.36 3.76 -0.11 -4.88 115.29 115.63 2h5i s HIS 56 Ca 0.25 1.16 0.02 0.00 -0.15 0.00 0.00 55.06 56.34 2h5i s HIS 56 Cb -0.09 -4.03 0.59 0.00 1.11 0.00 0.00 32.58 30.15 2h5i s HIS 56 CO 0.16 -3.07 1.82 1.57 -0.85 0.00 0.00 174.74 174.37 2h5i h LYS 57 N 2.88 0.91 0.00 1.40 -0.00 -1.93 -1.33 116.57 118.49 2h5i h LYS 57 Ca -0.51 -0.05 0.00 0.00 -0.00 0.00 0.00 60.65 60.09 2h5i h LYS 57 Cb 1.24 -0.20 0.00 0.00 -0.00 0.00 0.00 32.23 33.27 2h5i h LYS 57 CO 0.64 0.60 0.00 0.77 -0.00 0.00 0.00 179.45 181.46 2h5i h SER 58 N 0.93 0.00 1.42 7.07 0.02 -1.97 -2.09 113.55 118.94 2h5i h SER 58 Ca 0.51 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.44 2h5i h SER 58 Cb 0.58 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.12 2h5i h SER 58 CO -0.29 0.00 -0.08 0.71 -1.14 0.00 0.00 176.83 176.02 2h5i h THR 59 N 0.00 0.17 -0.76 -2.27 1.35 -1.58 -3.47 112.91 106.35 2h5i h THR 59 Ca 0.00 -0.96 -0.27 0.00 -0.55 0.00 0.00 66.41 64.63 2h5i h THR 59 Cb 0.25 1.83 -0.10 0.00 -1.73 0.00 0.00 68.15 68.40 2h5i h THR 59 CO 0.00 0.08 -0.26 0.61 -0.25 0.00 0.00 175.52 175.71 2h5i n GLY 60 N 0.57 1.25 3.82 5.82 0.00 -0.79 -5.02 105.19 110.84 2h5i n GLY 60 Ca 0.02 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 2h5i n GLY 60 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2h5i s MET 61 N -3.28 4.02 0.72 1.61 -1.94 -1.26 -5.08 119.30 114.09 2h5i s MET 61 Ca 0.00 0.47 -0.11 0.00 -1.71 0.00 0.00 55.69 54.34 2h5i s MET 61 Cb 0.00 -3.25 0.02 0.00 2.01 0.00 0.00 34.83 33.61 2h5i s MET 61 CO 0.00 0.62 1.10 0.95 -0.01 0.00 0.00 175.02 177.68 2h5i s THR 62 N -0.88 3.40 0.29 2.05 -4.23 -1.26 -4.62 115.64 110.39 2h5i s THR 62 Ca 0.25 0.45 -0.29 0.00 -1.18 0.00 0.00 61.69 60.92 2h5i s THR 62 Cb -0.17 -3.41 -0.10 0.00 1.34 0.00 0.00 72.50 70.16 2h5i s THR 62 CO 0.14 -0.59 1.18 -0.55 -0.54 0.00 0.00 174.62 174.25 2h5i s SER 63 N -4.30 7.08 -1.15 3.99 0.15 -1.26 -4.75 113.70 113.46 2h5i s SER 63 Ca 0.59 2.42 -0.08 0.00 0.70 0.00 0.00 55.95 59.58 2h5i s SER 63 Cb -0.11 -2.63 0.25 0.00 -1.71 0.00 0.00 66.02 61.81 2h5i s SER 63 CO 0.52 -0.29 1.45 0.54 1.20 0.00 0.00 173.24 176.66 2h5i n ARG 64 N 1.10 3.87 -1.71 5.44 1.74 -0.52 -5.02 116.66 121.57 2h5i n ARG 64 Ca -0.01 -4.21 -0.43 0.00 -0.77 0.00 0.00 57.85 52.43 2h5i n ARG 64 Cb 0.44 -2.69 -0.03 0.00 -1.02 0.00 0.00 32.46 29.16 2h5i n ARG 64 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2h5i n SER 65 N 2.89 3.49 0.00 0.55 7.64 -1.26 -2.22 113.62 124.71 2h5i n SER 65 Ca 0.30 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.30 2h5i n SER 65 Cb 0.37 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.05 2h5i n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2h5i n GLY 66 N 2.73 2.22 0.22 0.23 0.00 -1.26 -4.97 105.19 104.36 2h5i n GLY 66 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.24 2h5i n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h5i h THR 67 N 0.00 0.59 0.00 2.61 1.03 -1.86 -2.54 112.91 112.73 2h5i h THR 67 Ca 0.00 -1.18 -0.09 0.00 -0.01 0.00 0.00 66.41 65.13 2h5i h THR 67 Cb 0.00 1.80 -0.01 0.00 -1.07 0.00 0.00 68.15 68.86 2h5i h THR 67 CO 0.00 0.24 -0.42 0.44 -0.01 0.00 0.00 175.52 175.76 2h5i h ASP 68 N 0.00 0.00 -0.38 0.00 3.32 -1.93 -1.48 116.42 115.95 2h5i h ASP 68 Ca -0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 2h5i h ASP 68 Cb 0.78 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 2h5i h ASP 68 CO 0.03 0.42 0.23 0.58 -1.72 0.00 0.00 179.24 178.79 2h5i h VAL 69 N 0.00 1.07 -0.11 -1.35 2.07 -1.88 -2.11 116.25 113.93 2h5i h VAL 69 Ca -0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2h5i h VAL 69 Cb 0.77 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2h5i h VAL 69 CO 0.06 0.09 0.07 0.44 0.02 0.00 0.00 177.57 178.25 2h5i h ASP 70 N 0.48 0.13 -0.71 0.57 3.32 -1.33 -2.02 116.42 116.86 2h5i h ASP 70 Ca 0.14 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 2h5i h ASP 70 Cb -0.03 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 2h5i h ASP 70 CO -0.05 0.09 0.39 0.00 -1.72 0.00 0.00 179.24 177.95 2h5i h ALA 71 N 1.04 1.33 -0.16 3.45 0.00 -1.21 -1.19 119.26 122.52 2h5i h ALA 71 Ca 0.04 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 2h5i h ALA 71 Cb -0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2h5i h ALA 71 CO -0.01 0.55 -0.63 0.00 0.00 0.00 0.00 179.25 179.16 2h5i h ALA 72 N 1.42 0.60 -0.56 0.00 0.00 -1.29 -2.50 119.26 116.94 2h5i h ALA 72 Ca 0.26 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2h5i h ALA 72 Cb 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2h5i h ALA 72 CO -0.04 0.71 0.12 -0.97 0.00 0.00 0.00 179.25 179.07 2h5i h ASN 73 N 0.41 0.86 -0.49 0.00 -0.73 -1.02 -2.74 115.58 111.87 2h5i h ASN 73 Ca -0.01 -0.24 -0.10 0.00 1.87 0.00 0.00 56.30 57.82 2h5i h ASN 73 Cb 1.20 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 39.55 2h5i h ASN 73 CO 0.12 0.88 -0.09 -0.07 -0.37 0.00 0.00 177.43 177.90 2h5i h LEU 74 N 0.80 0.94 -0.71 0.34 3.38 -1.18 -1.67 115.31 117.20 2h5i h LEU 74 Ca 0.17 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.80 2h5i h LEU 74 Cb 0.36 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2h5i h LEU 74 CO 0.00 1.07 0.47 -0.09 0.09 0.00 0.00 178.44 179.98 2h5i h ARG 75 N 0.79 0.95 -0.24 1.13 2.43 -1.40 -1.12 114.38 116.91 2h5i h ARG 75 Ca 0.13 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 59.08 2h5i h ARG 75 Cb 0.64 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2h5i h ARG 75 CO 0.04 0.63 -0.49 1.49 -1.51 0.00 0.00 179.97 180.13 2h5i h GLU 76 N 0.97 0.67 -0.15 0.20 4.57 -1.37 -1.53 114.58 117.93 2h5i h GLU 76 Ca 0.26 -0.39 -0.03 0.00 -1.18 0.00 0.00 59.36 58.02 2h5i h GLU 76 Cb -0.10 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 2h5i h GLU 76 CO -0.06 1.01 -0.01 1.15 -1.18 0.00 0.00 179.01 179.92 2h5i h THR 77 N 0.53 1.26 0.00 0.32 2.02 -1.07 -2.47 112.91 113.50 2h5i h THR 77 Ca 0.02 -0.87 -0.07 0.00 0.77 0.00 0.00 66.41 66.26 2h5i h THR 77 Cb 1.05 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 2h5i h THR 77 CO 0.10 0.26 -0.33 -0.26 0.37 0.00 0.00 175.52 175.66 2h5i h PHE 78 N -0.00 0.00 -0.78 3.16 0.04 -1.25 -2.77 116.94 115.34 2h5i h PHE 78 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 2h5i h PHE 78 Cb 0.39 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.50 2h5i h PHE 78 CO 0.04 0.33 0.49 -0.09 -0.60 0.00 0.00 178.31 178.48 2h5i h ARG 79 N 0.00 1.05 0.00 1.51 2.43 -1.21 -2.10 114.38 116.05 2h5i h ARG 79 Ca -0.00 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2h5i h ARG 79 Cb 1.14 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 2h5i h ARG 79 CO 0.04 0.72 0.00 -0.91 -1.51 0.00 0.00 179.97 178.31 2h5i h ASN 80 N 1.07 0.00 -0.08 -3.80 2.35 -1.17 -2.22 115.58 111.72 2h5i h ASN 80 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2h5i h ASN 80 Cb -0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.29 2h5i h ASN 80 CO -0.06 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.90 2h5i n LEU 81 N -2.78 1.55 -0.66 1.61 4.77 -0.89 -4.95 117.00 115.64 2h5i n LEU 81 Ca 0.02 -0.58 -0.06 0.00 -0.03 0.00 0.00 56.01 55.36 2h5i n LEU 81 Cb 0.32 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2h5i n LEU 81 CO 0.26 0.29 -0.07 0.29 -1.33 0.00 0.00 177.39 176.83 2h5i n LYS 82 N 0.22 -0.47 -2.82 3.23 4.76 -0.83 -4.96 118.16 117.29 2h5i n LYS 82 Ca 0.18 0.31 -0.36 0.00 -2.87 0.00 0.00 58.31 55.57 2h5i n LYS 82 Cb 0.34 -4.13 -0.07 0.00 -1.84 0.00 0.00 35.03 29.33 2h5i n LYS 82 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2h5i s TYR 83 N -2.29 3.59 -0.78 2.13 1.51 -0.84 -4.26 117.35 116.40 2h5i s TYR 83 Ca 0.00 1.70 -0.26 0.00 -1.01 0.00 0.00 57.07 57.50 2h5i s TYR 83 Cb 0.00 -2.88 0.03 0.00 -0.11 0.00 0.00 41.96 39.00 2h5i s TYR 83 CO 0.00 0.14 1.37 -2.00 -1.11 0.00 0.00 175.55 173.95 2h5i s GLU 84 N -2.33 3.21 0.01 -0.62 2.12 -0.72 -4.47 118.70 115.90 2h5i s GLU 84 Ca 0.53 -0.33 -0.19 0.00 0.36 0.00 0.00 54.97 55.33 2h5i s GLU 84 Cb -0.16 -4.42 -0.06 0.00 0.26 0.00 0.00 34.13 29.76 2h5i s GLU 84 CO 0.21 -2.23 0.56 0.08 -0.54 0.00 0.00 175.26 173.34 2h5i s VAL 85 N 5.94 4.89 -0.14 3.70 1.01 -1.26 -1.87 120.40 132.67 2h5i s VAL 85 Ca 0.40 1.17 0.01 0.00 0.00 0.00 0.00 61.98 63.56 2h5i s VAL 85 Cb -0.07 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.44 2h5i s VAL 85 CO 0.11 0.47 -0.16 -0.13 0.00 0.00 0.00 175.10 175.38 2h5i s ARG 86 N -0.47 2.44 -0.16 2.72 0.52 -0.20 -4.95 118.95 118.84 2h5i s ARG 86 Ca 0.29 -0.63 -0.07 0.00 -0.52 0.00 0.00 55.73 54.81 2h5i s ARG 86 Cb -0.18 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.11 2h5i s ARG 86 CO 0.17 -0.16 0.08 -0.80 0.02 0.00 0.00 175.30 174.61 2h5i s ASN 87 N 1.24 5.80 -0.03 0.23 -0.87 -1.26 -1.31 114.94 118.74 2h5i s ASN 87 Ca 0.00 0.18 0.05 0.00 -1.57 0.00 0.00 52.86 51.52 2h5i s ASN 87 Cb -0.14 -1.94 -0.01 0.00 -0.02 0.00 0.00 41.25 39.14 2h5i s ASN 87 CO -0.07 0.24 -0.16 -0.54 -2.57 0.00 0.00 177.10 173.99 2h5i s LYS 88 N -0.02 1.51 -0.03 -0.60 -0.14 -0.09 -4.97 119.74 115.40 2h5i s LYS 88 Ca 0.07 -0.58 0.07 0.00 -1.36 0.00 0.00 55.97 54.17 2h5i s LYS 88 Cb -0.12 -1.38 -0.02 0.00 -1.68 0.00 0.00 37.83 34.63 2h5i s LYS 88 CO 0.01 0.29 -0.24 -0.80 -0.76 0.00 0.00 175.35 173.84 2h5i s ASN 89 N -0.15 3.18 -0.98 2.83 0.02 -1.26 -1.04 114.94 117.53 2h5i s ASN 89 Ca 0.01 -0.45 -0.12 0.00 -1.02 0.00 0.00 52.86 51.28 2h5i s ASN 89 Cb -0.09 -0.55 -0.00 0.00 0.02 0.00 0.00 41.25 40.63 2h5i s ASN 89 CO 0.01 0.30 0.73 0.47 0.02 0.00 0.00 177.10 178.63 2h5i n ASP 90 N 2.58 -5.73 -4.85 -1.22 8.00 -0.74 -4.97 116.55 109.62 2h5i n ASP 90 Ca -0.17 -0.82 -0.37 0.00 0.71 0.00 0.00 54.79 54.14 2h5i n ASP 90 Cb 0.51 -3.36 -0.06 0.00 -0.02 0.00 0.00 41.12 38.19 2h5i n ASP 90 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2h5i s LEU 91 N -5.63 4.45 0.85 0.64 1.43 -1.26 -4.90 118.68 114.26 2h5i s LEU 91 Ca 0.27 0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 54.13 2h5i s LEU 91 Cb -0.10 -2.56 0.10 0.00 0.03 0.00 0.00 46.19 43.66 2h5i s LEU 91 CO 0.85 0.32 1.11 0.42 0.23 0.00 0.00 176.35 179.28 2h5i s THR 92 N -1.11 2.62 0.29 5.49 -4.23 -1.26 -1.44 115.64 116.00 2h5i s THR 92 Ca 0.24 0.20 -0.03 0.00 -1.18 0.00 0.00 61.69 60.92 2h5i s THR 92 Cb -0.16 -2.91 0.24 0.00 1.34 0.00 0.00 72.50 71.01 2h5i s THR 92 CO 0.13 -0.26 1.93 0.08 -0.54 0.00 0.00 174.62 175.96 2h5i h ARG 93 N -1.31 1.08 -0.56 3.99 0.11 -1.87 -0.68 114.38 115.15 2h5i h ARG 93 Ca -0.49 -0.09 -0.02 0.00 0.10 0.00 0.00 59.98 59.48 2h5i h ARG 93 Cb 1.29 -0.23 -0.03 0.00 1.11 0.00 0.00 29.97 32.12 2h5i h ARG 93 CO 0.60 0.75 0.27 0.93 0.10 0.00 0.00 179.97 182.62 2h5i h GLU 94 N 1.10 0.81 -0.31 0.08 3.07 -1.95 -2.59 114.58 114.79 2h5i h GLU 94 Ca 0.29 -0.12 -0.06 0.00 -0.50 0.00 0.00 59.36 58.97 2h5i h GLU 94 Cb -0.05 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.70 2h5i h GLU 94 CO -0.05 0.66 -0.07 0.93 -1.40 0.00 0.00 179.01 179.08 2h5i h GLU 95 N 0.76 0.51 -0.13 2.33 5.08 -1.76 -1.91 114.58 119.46 2h5i h GLU 95 Ca 0.19 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2h5i h GLU 95 Cb 0.12 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2h5i h GLU 95 CO -0.02 0.58 -0.03 0.82 -1.00 0.00 0.00 179.01 179.36 2h5i h ILE 96 N 0.48 1.29 -0.56 3.13 2.04 -0.97 -1.43 117.51 121.49 2h5i h ILE 96 Ca 0.10 -0.99 -0.08 0.00 1.00 0.00 0.00 64.86 64.89 2h5i h ILE 96 Cb 0.41 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 2h5i h ILE 96 CO 0.02 0.29 0.02 0.58 0.00 0.00 0.00 178.15 179.06 2h5i h VAL 97 N -0.07 1.26 -0.17 1.67 2.07 -1.37 -2.20 116.25 117.43 2h5i h VAL 97 Ca 0.03 -1.06 -0.12 0.00 0.82 0.00 0.00 66.70 66.37 2h5i h VAL 97 Cb 0.46 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2h5i h VAL 97 CO 0.01 0.38 -0.42 -0.33 0.02 0.00 0.00 177.57 177.24 2h5i h GLU 98 N 0.87 0.40 -0.12 1.57 4.39 -1.31 -1.88 114.58 118.50 2h5i h GLU 98 Ca 0.17 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2h5i h GLU 98 Cb 0.48 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2h5i h GLU 98 CO 0.02 0.75 0.05 1.25 -1.16 0.00 0.00 179.01 179.93 2h5i h LEU 99 N 0.33 0.16 -0.65 1.33 5.85 -1.01 -2.17 115.31 119.15 2h5i h LEU 99 Ca 0.03 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 2h5i h LEU 99 Cb 0.88 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 2h5i h LEU 99 CO 0.07 0.27 0.32 0.24 -0.34 0.00 0.00 178.44 179.01 2h5i h MET 100 N 0.04 0.92 0.31 1.25 2.86 -1.33 -1.10 114.93 117.88 2h5i h MET 100 Ca 0.04 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2h5i h MET 100 Cb 0.16 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 2h5i h MET 100 CO -0.00 0.72 -0.26 -0.09 1.06 0.00 0.00 176.91 178.34 2h5i h ARG 101 N 0.89 -0.55 -0.85 1.72 2.43 -1.33 -1.78 114.38 114.91 2h5i h ARG 101 Ca 0.22 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 2h5i h ARG 101 Cb 0.09 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 2h5i h ARG 101 CO -0.03 -0.37 0.48 -0.44 -1.51 0.00 0.00 179.97 178.10 2h5i h ASP 102 N -0.57 1.04 -0.23 -3.80 3.32 -1.20 -1.87 116.42 113.10 2h5i h ASP 102 Ca -0.02 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 56.87 2h5i h ASP 102 Cb 0.51 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 2h5i h ASP 102 CO -0.02 0.82 -0.13 0.58 -1.72 0.00 0.00 179.24 178.77 2h5i h VAL 103 N 1.18 1.25 0.00 -1.35 2.07 -1.13 -2.38 116.25 115.89 2h5i h VAL 103 Ca 0.30 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2h5i h VAL 103 Cb 0.00 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2h5i h VAL 103 CO -0.05 0.38 0.00 0.77 0.02 0.00 0.00 177.57 178.69 2h5i h SER 104 N 0.58 0.00 -0.16 0.57 4.64 -0.54 -2.64 113.55 116.00 2h5i h SER 104 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2h5i h SER 104 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2h5i h SER 104 CO 0.04 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.29 2h5i n LYS 105 N -2.52 1.97 -1.37 4.77 5.02 -0.87 -4.80 118.16 120.35 2h5i n LYS 105 Ca 0.03 -1.44 -0.30 0.00 -2.02 0.00 0.00 58.31 54.59 2h5i n LYS 105 Cb 0.33 -1.45 0.12 0.00 -0.02 0.00 0.00 35.03 34.01 2h5i n LYS 105 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2h5i s GLU 106 N -1.81 1.54 -0.43 1.97 2.02 -1.00 -5.01 118.70 115.99 2h5i s GLU 106 Ca 0.34 0.69 -0.22 0.00 0.02 0.00 0.00 54.97 55.80 2h5i s GLU 106 Cb 0.20 -1.85 0.02 0.00 0.10 0.00 0.00 34.13 32.60 2h5i s GLU 106 CO 0.30 -2.01 0.72 0.34 0.02 0.00 0.00 175.26 174.62 2h5i s ASP 107 N -3.67 6.39 -0.08 -0.19 2.15 -1.26 -4.91 116.67 115.10 2h5i s ASP 107 Ca 0.62 -0.13 0.19 0.00 0.43 0.00 0.00 52.55 53.67 2h5i s ASP 107 Cb -0.16 -2.36 0.69 0.00 -0.30 0.00 0.00 42.92 40.79 2h5i s ASP 107 CO 0.56 -0.82 1.59 1.41 -0.17 0.00 0.00 175.17 177.74 2h5i n HIS 108 N 6.46 1.33 -0.29 -5.34 8.25 -1.26 -4.70 115.22 119.67 2h5i n HIS 108 Ca 0.01 -0.56 0.17 0.00 -0.26 0.00 0.00 57.72 57.08 2h5i n HIS 108 Cb 0.48 -0.17 0.45 0.00 1.12 0.00 0.00 29.99 31.86 2h5i n HIS 108 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2h5i h SER 109 N 4.08 0.54 -0.50 0.41 0.02 -1.91 -0.90 113.55 115.29 2h5i h SER 109 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2h5i h SER 109 Cb 1.30 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2h5i h SER 109 CO 0.17 0.20 0.00 0.29 -1.14 0.00 0.00 176.83 176.35 2h5i n LYS 110 N -4.59 2.66 -4.39 3.45 5.02 -1.26 -4.93 118.16 114.12 2h5i n LYS 110 Ca 0.21 -2.00 -0.35 0.00 -2.02 0.00 0.00 58.31 54.15 2h5i n LYS 110 Cb 0.66 -1.59 -0.10 0.00 -0.02 0.00 0.00 35.03 33.99 2h5i n LYS 110 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2h5i s ARG 111 N -1.56 3.05 0.16 1.97 0.52 -0.34 -1.97 118.95 120.78 2h5i s ARG 111 Ca 0.36 -0.43 0.06 0.00 -0.52 0.00 0.00 55.73 55.21 2h5i s ARG 111 Cb 0.22 -2.80 -0.04 0.00 0.52 0.00 0.00 34.95 32.85 2h5i s ARG 111 CO 0.21 0.65 1.37 0.77 0.02 0.00 0.00 175.30 178.32 2h5i h SER 112 N 5.33 0.07 -5.06 0.23 0.02 -1.14 -3.48 113.55 109.53 2h5i h SER 112 Ca -0.49 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.35 2h5i h SER 112 Cb 1.19 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 2h5i h SER 112 CO 0.55 0.93 0.22 -0.94 -1.14 0.00 0.00 176.83 176.45 2h5i s SER 113 N -6.81 0.10 -0.01 3.07 1.04 -0.78 -4.30 113.70 106.01 2h5i s SER 113 Ca -0.01 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.26 2h5i s SER 113 Cb 0.10 0.83 0.01 0.00 0.10 0.00 0.00 66.02 67.06 2h5i s SER 113 CO 0.81 -1.64 -0.00 0.12 0.98 0.00 0.00 173.24 173.51 2h5i s PHE 114 N -2.44 0.13 -0.05 5.02 5.36 -0.89 -4.16 117.98 120.94 2h5i s PHE 114 Ca 0.17 0.01 0.02 0.00 -0.96 0.00 0.00 56.93 56.17 2h5i s PHE 114 Cb -0.05 -0.15 0.01 0.00 -0.34 0.00 0.00 43.02 42.49 2h5i s PHE 114 CO 0.12 -0.04 -0.11 0.08 -1.46 0.00 0.00 175.22 173.82 2h5i s VAL 115 N 0.34 0.99 -0.07 3.12 1.01 -0.62 -1.17 120.40 124.00 2h5i s VAL 115 Ca -0.03 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.54 2h5i s VAL 115 Cb -0.05 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.45 2h5i s VAL 115 CO -0.01 0.31 -0.11 0.00 0.00 0.00 0.00 175.10 175.30 2h5i s VAL 117 N 0.81 2.93 -0.19 0.00 1.01 -0.03 -0.79 120.40 124.14 2h5i s VAL 117 Ca -0.12 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 2h5i s VAL 117 Cb -0.15 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.00 2h5i s VAL 117 CO 0.02 0.52 -0.12 -0.76 0.00 0.00 0.00 175.10 174.76 2h5i s LEU 118 N 0.48 2.55 -0.29 3.92 1.43 -0.33 -1.30 118.68 125.14 2h5i s LEU 118 Ca -0.10 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.55 2h5i s LEU 118 Cb -0.16 -1.61 0.07 0.00 0.03 0.00 0.00 46.19 44.52 2h5i s LEU 118 CO 0.04 0.02 -0.04 -0.76 0.23 0.00 0.00 176.35 175.85 2h5i s LEU 119 N 1.20 3.98 0.00 1.79 1.43 -0.49 -1.42 118.68 125.17 2h5i s LEU 119 Ca 0.02 -1.66 -0.15 0.00 -1.03 0.00 0.00 54.13 51.32 2h5i s LEU 119 Cb -0.14 -1.60 0.05 0.00 0.03 0.00 0.00 46.19 44.53 2h5i s LEU 119 CO -0.05 -0.27 0.70 -0.24 0.23 0.00 0.00 176.35 176.72 2h5i n SER 120 N 4.39 -1.20 -4.79 2.29 2.88 -0.96 -1.48 113.62 114.76 2h5i n SER 120 Ca -0.08 -1.63 -0.31 0.00 -1.33 0.00 0.00 58.87 55.52 2h5i n SER 120 Cb 0.42 1.95 0.08 0.00 -0.75 0.00 0.00 64.21 65.91 2h5i n SER 120 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2h5i s HIS 121 N -3.37 2.79 0.24 0.66 3.76 -1.26 -4.16 115.29 113.95 2h5i s HIS 121 Ca 0.16 1.49 -0.21 0.00 -0.15 0.00 0.00 55.06 56.34 2h5i s HIS 121 Cb -0.02 -2.98 0.06 0.00 1.11 0.00 0.00 32.58 30.74 2h5i s HIS 121 CO 0.04 -1.58 0.90 0.20 -0.85 0.00 0.00 174.74 173.45 2h5i s GLY 122 N -3.56 0.04 0.33 -2.22 0.00 -1.26 -1.57 107.32 99.08 2h5i s GLY 122 Ca 0.60 -0.29 0.05 0.00 0.00 0.00 0.00 44.72 45.08 2h5i s GLY 122 CO 0.56 0.60 0.34 1.18 0.00 0.00 0.00 173.10 175.77 2h5i n GLU 123 N -0.55 0.49 -1.68 2.90 1.02 -1.09 -4.31 120.64 117.43 2h5i n GLU 123 Ca -0.05 -3.15 -0.44 0.00 -0.02 0.00 0.00 57.16 53.49 2h5i n GLU 123 Cb 0.60 2.70 -0.04 0.00 -0.02 0.00 0.00 31.44 34.69 2h5i n GLU 123 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2h5i n GLU 124 N -0.61 2.60 -0.97 3.49 4.07 -1.22 -1.32 120.64 126.69 2h5i n GLU 124 Ca 0.06 0.95 0.00 0.00 -0.06 0.00 0.00 57.16 58.11 2h5i n GLU 124 Cb 0.59 -2.84 0.00 0.00 -0.06 0.00 0.00 31.44 29.14 2h5i n GLU 124 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2h5i n GLY 125 N 4.28 0.63 2.99 8.31 0.00 -1.26 -5.02 105.19 115.12 2h5i n GLY 125 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 2h5i n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h5i s ILE 126 N -2.67 0.30 0.03 -0.61 1.01 -0.44 -1.52 121.20 117.30 2h5i s ILE 126 Ca 0.00 -0.69 0.06 0.00 0.00 0.00 0.00 60.65 60.03 2h5i s ILE 126 Cb 0.00 -0.36 -0.02 0.00 0.01 0.00 0.00 42.46 42.09 2h5i s ILE 126 CO 0.00 -0.26 -0.19 -0.51 0.00 0.00 0.00 174.94 173.99 2h5i s ILE 127 N -0.93 1.51 -0.12 2.92 1.10 -0.79 -2.67 121.20 122.22 2h5i s ILE 127 Ca -0.08 -1.04 -0.14 0.00 -0.51 0.00 0.00 60.65 58.88 2h5i s ILE 127 Cb -0.07 -1.30 -0.05 0.00 0.15 0.00 0.00 42.46 41.19 2h5i s ILE 127 CO -0.00 0.23 0.34 -0.36 -2.11 0.00 0.00 174.94 173.04 2h5i s PHE 128 N -0.70 3.53 1.01 3.50 0.08 -0.61 -1.17 117.98 123.62 2h5i s PHE 128 Ca 0.06 0.72 -0.16 0.00 0.12 0.00 0.00 56.93 57.67 2h5i s PHE 128 Cb -0.08 -2.34 0.21 0.00 -0.57 0.00 0.00 43.02 40.24 2h5i s PHE 128 CO 0.01 0.34 1.24 0.20 -0.10 0.00 0.00 175.22 176.91 2h5i s GLY 129 N 0.08 1.69 0.47 4.36 0.00 0.67 -4.68 107.32 109.91 2h5i s GLY 129 Ca 0.19 -1.02 0.32 0.00 0.00 0.00 0.00 44.72 44.21 2h5i s GLY 129 CO 0.07 -0.26 1.95 -0.91 0.00 0.00 0.00 173.10 173.94 2h5i h THR 130 N -1.82 0.00 0.00 0.90 1.35 -1.53 -3.08 112.91 108.74 2h5i h THR 130 Ca -0.45 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 2h5i h THR 130 Cb 1.27 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 2h5i h THR 130 CO 0.42 0.00 -0.02 -0.46 -0.25 0.00 0.00 175.52 175.21 2h5i n ASN 131 N -2.79 1.91 0.00 5.36 6.94 -1.26 -0.94 115.26 124.48 2h5i n ASN 131 Ca 0.00 -2.34 0.00 0.00 -0.02 0.00 0.00 54.58 52.22 2h5i n ASN 131 Cb 0.22 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 2h5i n ASN 131 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2h5i n GLY 132 N -0.80 1.61 3.88 4.83 0.00 -1.16 -4.95 105.19 108.60 2h5i n GLY 132 Ca 0.06 -1.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.20 2h5i n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2h5i s PRO 133 N -1.72 3.68 -0.08 1.61 0.04 -1.26 -0.24 135.00 137.02 2h5i s PRO 133 Ca 0.00 0.59 0.01 0.00 0.04 0.00 0.00 61.00 61.63 2h5i s PRO 133 Cb 0.00 -2.22 0.02 0.00 0.04 0.00 0.00 34.50 32.34 2h5i s PRO 133 CO 0.00 -0.33 -0.09 0.08 0.04 0.00 0.00 177.00 176.71 2h5i s VAL 134 N -2.82 0.98 0.19 -0.36 1.01 -0.32 -4.81 120.40 114.28 2h5i s VAL 134 Ca 0.53 -0.33 -0.31 0.00 0.00 0.00 0.00 61.98 61.88 2h5i s VAL 134 Cb -0.10 -0.96 -0.09 0.00 0.00 0.00 0.00 36.38 35.22 2h5i s VAL 134 CO 0.44 0.34 1.42 -1.81 0.00 0.00 0.00 175.10 175.49 2h5i s ASP 135 N 1.22 6.74 0.41 3.32 1.01 -1.26 -1.89 116.67 126.21 2h5i s ASP 135 Ca -0.05 2.52 0.09 0.00 0.71 0.00 0.00 52.55 55.82 2h5i s ASP 135 Cb -0.14 -2.61 0.89 0.00 1.01 0.00 0.00 42.92 42.07 2h5i s ASP 135 CO -0.02 -0.67 2.00 -0.07 0.21 0.00 0.00 175.17 176.62 2h5i h LEU 136 N 5.81 0.49 -1.72 1.23 3.38 -1.62 -1.54 115.31 121.33 2h5i h LEU 136 Ca -0.44 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 2h5i h LEU 136 Cb 1.21 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2h5i h LEU 136 CO 0.82 0.32 -0.18 0.50 0.09 0.00 0.00 178.44 180.00 2h5i h LYS 137 N 0.56 0.00 -0.52 1.13 1.63 -1.91 -1.74 116.57 115.71 2h5i h LYS 137 Ca 0.24 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.94 2h5i h LYS 137 Cb 0.25 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 2h5i h LYS 137 CO -0.07 0.18 -0.09 -0.22 -3.45 0.00 0.00 179.45 175.80 2h5i h LYS 138 N 0.00 0.96 -0.01 1.90 3.64 -1.66 -1.42 116.57 119.98 2h5i h LYS 138 Ca -0.00 -0.34 -0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2h5i h LYS 138 Cb 0.39 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2h5i h LYS 138 CO 0.02 1.00 -0.01 0.82 -2.27 0.00 0.00 179.45 179.02 2h5i h ILE 139 N 0.86 1.39 0.00 2.00 2.04 -1.37 -3.28 117.51 119.15 2h5i h ILE 139 Ca 0.14 -1.15 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 2h5i h ILE 139 Cb 0.63 2.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.86 2h5i h ILE 139 CO 0.04 0.30 -0.16 0.71 0.00 0.00 0.00 178.15 179.05 2h5i h THR 140 N -0.46 0.35 -0.08 -0.27 1.35 -1.34 -3.02 112.91 109.45 2h5i h THR 140 Ca 0.00 -1.04 -0.04 0.00 -0.55 0.00 0.00 66.41 64.79 2h5i h THR 140 Cb 0.50 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.70 2h5i h THR 140 CO 0.00 0.15 -0.13 0.78 -0.25 0.00 0.00 175.52 176.08 2h5i h ASN 141 N 0.00 0.11 0.00 5.36 2.35 -1.31 -2.02 115.58 120.08 2h5i h ASN 141 Ca -0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2h5i h ASN 141 Cb 0.77 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.12 2h5i h ASN 141 CO 0.02 0.26 0.05 -0.26 -1.65 0.00 0.00 177.43 175.84 2h5i h PHE 142 N 0.11 0.00 -0.31 1.19 0.04 -1.63 -2.64 116.94 113.70 2h5i h PHE 142 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2h5i h PHE 142 Cb 0.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.45 2h5i h PHE 142 CO 0.00 0.00 0.00 1.19 -0.60 0.00 0.00 178.31 178.90 2h5i n PHE 143 N -3.02 0.40 -1.52 -0.55 3.72 -0.76 -4.03 117.46 111.70 2h5i n PHE 143 Ca -0.03 -0.26 -0.38 0.00 -0.05 0.00 0.00 57.45 56.73 2h5i n PHE 143 Cb 0.11 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 38.69 2h5i n PHE 143 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2h5i n ARG 144 N 1.10 0.64 -0.26 -1.08 1.74 -1.00 -4.53 116.66 113.27 2h5i n ARG 144 Ca 0.15 0.25 0.31 0.00 -0.77 0.00 0.00 57.85 57.80 2h5i n ARG 144 Cb 0.50 -1.91 0.72 0.00 -1.02 0.00 0.00 32.46 30.75 2h5i n ARG 144 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2h5i h GLY 145 N 0.27 0.11 0.82 -0.13 0.00 -1.92 -1.38 103.07 100.84 2h5i h GLY 145 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2h5i h GLY 145 CO 0.48 -0.01 -0.76 2.09 0.00 0.00 0.00 176.54 178.34 2h5i n ASP 146 N -4.26 0.62 -0.01 0.19 5.75 -1.26 -4.38 116.55 113.21 2h5i n ASP 146 Ca 0.23 -0.19 0.06 0.00 -0.01 0.00 0.00 54.79 54.88 2h5i n ASP 146 Cb 1.09 0.48 -0.09 0.00 -1.03 0.00 0.00 41.12 41.57 2h5i n ASP 146 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2h5i n ARG 147 N -1.83 0.47 -3.88 0.11 1.74 -0.59 -4.71 116.66 107.98 2h5i n ARG 147 Ca 0.03 -0.11 -0.30 0.00 -0.77 0.00 0.00 57.85 56.71 2h5i n ARG 147 Cb 0.40 -1.28 -0.13 0.00 -1.02 0.00 0.00 32.46 30.42 2h5i n ARG 147 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2h5i h ARG 149 N 6.38 0.00 0.00 0.00 2.47 -1.84 -2.15 114.38 119.24 2h5i h ARG 149 Ca -0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2h5i h ARG 149 Cb 0.88 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 2h5i h ARG 149 CO 0.64 0.39 0.00 -1.13 0.56 0.00 0.00 179.97 180.43 2h5i n SER 150 N -3.89 0.00 -0.40 7.04 3.41 -1.26 -2.41 113.62 116.11 2h5i n SER 150 Ca -0.01 -0.92 0.04 0.00 -0.26 0.00 0.00 58.87 57.72 2h5i n SER 150 Cb 0.45 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.45 2h5i n SER 150 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2h5i n LEU 151 N -0.98 1.98 -4.68 1.04 4.77 -0.82 -4.23 117.00 114.08 2h5i n LEU 151 Ca 0.21 -1.24 -0.45 0.00 -0.03 0.00 0.00 56.01 54.50 2h5i n LEU 151 Cb 0.09 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 2h5i n LEU 151 CO 0.16 0.43 1.19 0.41 -1.33 0.00 0.00 177.39 178.24 2h5i n THR 152 N 0.46 0.16 -0.45 -5.08 -1.04 -1.01 -1.81 114.28 105.50 2h5i n THR 152 Ca 0.06 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2h5i n THR 152 Cb 0.26 -1.59 0.00 0.00 -1.82 0.00 0.00 70.33 67.18 2h5i n THR 152 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2h5i n GLY 153 N 3.27 1.38 3.56 3.41 0.00 -1.26 -5.03 105.19 110.53 2h5i n GLY 153 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2h5i n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h5i s LYS 154 N -0.26 2.26 0.15 1.61 1.02 -0.75 -4.98 119.74 118.78 2h5i s LYS 154 Ca 0.00 -0.92 -0.30 0.00 0.02 0.00 0.00 55.97 54.76 2h5i s LYS 154 Cb 0.00 -2.35 -0.08 0.00 -0.52 0.00 0.00 37.83 34.88 2h5i s LYS 154 CO 0.00 0.54 1.29 -1.25 -0.92 0.00 0.00 175.35 175.01 2h5i s PRO 155 N -1.84 4.40 -0.28 -1.68 0.04 -1.26 -4.93 135.00 129.45 2h5i s PRO 155 Ca 0.19 1.97 -0.00 0.00 0.04 0.00 0.00 61.00 63.20 2h5i s PRO 155 Cb -0.11 -3.25 0.05 0.00 0.04 0.00 0.00 34.50 31.23 2h5i s PRO 155 CO 0.11 -0.27 -0.05 0.15 0.04 0.00 0.00 177.00 176.98 2h5i s LYS 156 N 0.40 2.47 -0.24 4.56 1.02 -1.26 -2.10 119.74 124.58 2h5i s LYS 156 Ca 0.58 -1.22 -0.07 0.00 0.02 0.00 0.00 55.97 55.28 2h5i s LYS 156 Cb -0.35 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 2h5i s LYS 156 CO 0.34 -0.55 0.05 -1.17 -0.92 0.00 0.00 175.35 173.10 2h5i s LEU 157 N 1.22 3.35 -0.19 3.17 2.96 -0.31 -5.01 118.68 123.86 2h5i s LEU 157 Ca -0.05 -0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 2h5i s LEU 157 Cb -0.19 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.61 2h5i s LEU 157 CO -0.03 -0.03 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.48 2h5i s PHE 158 N 1.58 2.85 -0.22 5.38 0.40 -1.26 -1.15 117.98 125.56 2h5i s PHE 158 Ca 0.06 -1.18 -0.04 0.00 -0.60 0.00 0.00 56.93 55.17 2h5i s PHE 158 Cb -0.15 -1.98 -0.01 0.00 0.51 0.00 0.00 43.02 41.39 2h5i s PHE 158 CO 0.02 -0.60 -0.03 0.42 0.70 0.00 0.00 175.22 175.74 2h5i s ILE 159 N 1.20 3.52 -0.25 0.64 1.01 0.03 -5.01 121.20 122.35 2h5i s ILE 159 Ca 0.02 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.24 2h5i s ILE 159 Cb -0.14 -2.60 0.06 0.00 0.01 0.00 0.00 42.46 39.79 2h5i s ILE 159 CO -0.05 0.42 -0.05 -0.63 0.00 0.00 0.00 174.94 174.63 2h5i s ILE 160 N 1.44 1.59 -0.56 2.92 1.01 -1.26 -1.19 121.20 125.15 2h5i s ILE 160 Ca 0.05 -1.32 -0.15 0.00 0.00 0.00 0.00 60.65 59.23 2h5i s ILE 160 Cb -0.14 -1.88 0.14 0.00 0.01 0.00 0.00 42.46 40.59 2h5i s ILE 160 CO -0.02 -0.15 0.50 -1.58 0.00 0.00 0.00 174.94 173.69 2h5i s GLN 161 N 1.35 2.96 -0.08 2.79 2.00 -0.51 -5.01 119.66 123.18 2h5i s GLN 161 Ca -0.04 -1.81 -0.30 0.00 -2.00 0.00 0.00 55.36 51.21 2h5i s GLN 161 Cb -0.19 -4.25 0.11 0.00 0.80 0.00 0.00 33.01 29.49 2h5i s GLN 161 CO -0.07 -1.30 0.93 0.00 -0.50 0.00 0.00 175.29 174.35 2h5i s ALA 162 N 1.39 -1.87 0.65 1.58 0.00 -1.26 -2.25 121.76 120.00 2h5i s ALA 162 Ca 0.05 1.28 -0.17 0.00 0.00 0.00 0.00 51.96 53.13 2h5i s ALA 162 Cb -0.27 -0.09 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 2h5i s ALA 162 CO 0.01 -0.51 1.17 0.00 0.00 0.00 0.00 175.76 176.43 2h5i n ARG 164 N -2.14 1.06 -0.35 0.00 1.74 -1.26 -2.72 116.66 112.99 2h5i n ARG 164 Ca 0.12 -2.40 0.00 0.00 -0.77 0.00 0.00 57.85 54.80 2h5i n ARG 164 Cb 0.51 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 2h5i n ARG 164 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2h5i n GLY 165 N -1.08 0.85 0.25 -0.13 0.00 -1.26 -3.38 105.19 100.44 2h5i n GLY 165 Ca 0.13 -1.82 0.07 0.00 0.00 0.00 0.00 46.02 44.41 2h5i n GLY 165 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2h5i n THR 166 N 9.00 1.44 -2.49 2.61 -2.24 -1.26 -4.98 114.28 116.35 2h5i n THR 166 Ca 0.00 -1.80 -0.32 0.00 -2.27 0.00 0.00 64.05 59.66 2h5i n THR 166 Cb 0.00 -0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 2h5i n THR 166 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2h5i s GLU 167 N -2.18 3.89 -0.05 -0.78 2.02 -1.26 -5.08 118.70 115.27 2h5i s GLU 167 Ca 0.25 0.83 0.05 0.00 0.02 0.00 0.00 54.97 56.12 2h5i s GLU 167 Cb 0.23 -2.20 -0.01 0.00 0.10 0.00 0.00 34.13 32.25 2h5i s GLU 167 CO 0.01 -0.22 -0.21 -0.51 0.02 0.00 0.00 175.26 174.35 2h5i s LEU 168 N -4.05 1.99 -0.34 1.80 1.43 -1.26 -5.10 118.68 113.14 2h5i s LEU 168 Ca 0.57 -0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 53.07 2h5i s LEU 168 Cb -0.10 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 2h5i s LEU 168 CO 0.32 0.20 0.42 -0.62 0.23 0.00 0.00 176.35 176.90 2h5i s ASP 169 N -0.06 6.24 0.05 2.29 -1.08 -1.26 -4.96 116.67 117.89 2h5i s ASP 169 Ca -0.04 -0.14 0.27 0.00 -0.52 0.00 0.00 52.55 52.12 2h5i s ASP 169 Cb -0.13 -2.22 1.08 0.00 -1.46 0.00 0.00 42.92 40.19 2h5i s ASP 169 CO 0.03 -0.39 1.84 0.00 0.52 0.00 0.00 175.17 177.17 2h5i n GLY 171 N 1.26 -2.03 2.89 0.00 0.00 -1.26 -4.97 105.19 101.07 2h5i n GLY 171 Ca 0.06 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 2h5i n GLY 171 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2h5i s ILE 172 N -2.21 -0.02 0.42 -0.61 1.10 -1.26 -5.15 121.20 113.46 2h5i s ILE 172 Ca 0.00 0.09 -0.25 0.00 -0.51 0.00 0.00 60.65 59.98 2h5i s ILE 172 Cb 0.00 -0.12 -0.08 0.00 0.15 0.00 0.00 42.46 42.41 2h5i s ILE 172 CO 0.00 0.04 1.19 -1.61 -2.11 0.00 0.00 174.94 172.45 2h5i s GLU 173 N 0.51 3.93 0.00 3.50 2.02 -1.26 -5.34 118.70 122.06 2h5i s GLU 173 Ca -0.04 1.87 0.10 0.00 0.02 0.00 0.00 54.97 56.92 2h5i s GLU 173 Cb -0.06 -2.60 0.08 0.00 0.10 0.00 0.00 34.13 31.65 2h5i s GLU 173 CO -0.02 -0.43 0.81 0.25 0.02 0.00 0.00 175.26 175.88