#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mp1 n HIS 25 N 0.00 0.00 -0.01 7.33 -0.00 -1.26 -4.98 115.22 116.30 1mp1 n HIS 25 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.68 1mp1 n HIS 25 Cb 0.00 0.11 -0.01 0.00 -0.00 0.00 0.00 29.99 30.09 1mp1 n HIS 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1mp1 n MET 26 N -1.99 0.08 -1.13 1.57 3.85 -1.26 -5.14 117.12 113.09 1mp1 n MET 26 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 57.70 56.73 1mp1 n MET 26 Cb 0.12 -0.63 0.00 0.00 -1.05 0.00 0.00 33.22 31.66 1mp1 n MET 26 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1mp1 n GLN 27 N -3.24 -3.21 -1.68 3.17 -0.06 -1.26 -5.11 117.38 105.99 1mp1 n GLN 27 Ca -0.06 2.35 -0.00 0.00 -2.00 0.00 0.00 57.00 57.29 1mp1 n GLN 27 Cb 0.47 -2.62 0.00 0.00 -4.06 0.00 0.00 30.24 24.04 1mp1 n GLN 27 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 1mp1 n LEU 28 N -0.35 0.00 -4.88 1.69 -0.00 -1.26 -5.09 117.00 107.11 1mp1 n LEU 28 Ca 0.00 -0.03 -0.31 0.00 -0.00 0.00 0.00 56.01 55.67 1mp1 n LEU 28 Cb 0.00 0.07 -0.04 0.00 -0.00 0.00 0.00 43.42 43.45 1mp1 n LEU 28 CO 0.00 -0.01 0.31 -0.75 -0.00 0.00 0.00 177.39 176.94 1mp1 s LYS 29 N -2.00 3.78 0.00 1.47 2.20 -1.26 -4.93 119.74 119.01 1mp1 s LYS 29 Ca 0.01 0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.94 1mp1 s LYS 29 Cb -0.00 -2.54 0.00 0.00 -1.51 0.00 0.00 37.83 33.78 1mp1 s LYS 29 CO 0.00 0.16 0.00 1.97 -0.36 0.00 0.00 175.35 177.12 1mp1 n PHE 30 N -0.71 0.00 -1.40 4.03 1.16 -1.26 -4.90 117.46 114.38 1mp1 n PHE 30 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.59 1mp1 n PHE 30 Cb 0.53 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.40 1mp1 n PHE 30 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1mp1 n ALA 31 N -3.00 0.00 -0.06 1.98 0.00 -1.26 -5.06 120.51 113.10 1mp1 n ALA 31 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1mp1 n ALA 31 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1mp1 n ALA 31 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1mp1 n GLU 32 N -0.61 0.30 0.26 0.00 0.28 -1.26 -4.46 120.64 115.15 1mp1 n GLU 32 Ca 0.00 0.10 0.17 0.00 -0.16 0.00 0.00 57.16 57.26 1mp1 n GLU 32 Cb 0.00 -1.13 0.78 0.00 1.43 0.00 0.00 31.44 32.52 1mp1 n GLU 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1mp1 h LEU 34 N 0.00 0.00 -1.65 0.00 3.38 -1.92 0.30 115.31 115.42 1mp1 h LEU 34 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1mp1 h LEU 34 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1mp1 h LEU 34 CO -0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 1mp1 n GLU 35 N -2.38 2.20 0.00 1.13 1.02 0.37 -3.72 120.64 119.26 1mp1 n GLU 35 Ca -0.01 -1.41 0.14 0.00 -0.02 0.00 0.00 57.16 55.87 1mp1 n GLU 35 Cb 0.07 -1.47 0.67 0.00 -0.02 0.00 0.00 31.44 30.68 1mp1 n GLU 35 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1mp1 n LYS 36 N 0.50 0.17 -1.11 3.49 4.76 0.11 -5.01 118.16 121.06 1mp1 n LYS 36 Ca 0.13 -0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.70 1mp1 n LYS 36 Cb 0.44 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.09 1mp1 n LYS 36 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1mp1 n LYS 37 N -1.41 -2.12 0.00 1.97 4.01 -1.24 -5.04 118.16 114.32 1mp1 n LYS 37 Ca 0.10 1.53 0.00 0.00 -0.51 0.00 0.00 58.31 59.43 1mp1 n LYS 37 Cb 0.30 -2.66 0.00 0.00 -0.51 0.00 0.00 35.03 32.16 1mp1 n LYS 37 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 1mp1 n VAL 38 N -3.44 0.00 -2.86 -0.18 0.24 -1.26 -4.86 118.33 105.98 1mp1 n VAL 38 Ca -0.02 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.32 1mp1 n VAL 38 Cb 0.62 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 33.00 1mp1 n VAL 38 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1mp1 s ASP 39 N 1.62 -0.02 0.57 -1.34 -1.08 -1.26 -4.91 116.67 110.25 1mp1 s ASP 39 Ca 0.00 -0.01 0.28 0.00 -0.52 0.00 0.00 52.55 52.30 1mp1 s ASP 39 Cb 0.00 0.43 1.71 0.00 -1.46 0.00 0.00 42.92 43.60 1mp1 s ASP 39 CO 0.00 -0.00 2.21 0.24 0.52 0.00 0.00 175.17 178.14 1mp1 h MET 40 N 5.83 0.00 0.00 4.34 2.86 -1.66 0.30 114.93 126.61 1mp1 h MET 40 Ca -0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1mp1 h MET 40 Cb 1.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1mp1 h MET 40 CO -0.14 0.03 0.00 0.45 1.06 0.00 0.00 176.91 178.31 1mp1 n SER 41 N -3.87 0.00 -0.01 1.22 2.88 -1.26 -3.04 113.62 109.54 1mp1 n SER 41 Ca -0.03 0.17 -0.01 0.00 -1.33 0.00 0.00 58.87 57.68 1mp1 n SER 41 Cb 0.11 -0.35 -0.01 0.00 -0.75 0.00 0.00 64.21 63.22 1mp1 n SER 41 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1mp1 n LYS 42 N -1.35 0.85 -4.15 -1.46 4.76 0.57 -5.04 118.16 112.34 1mp1 n LYS 42 Ca 0.07 0.01 -0.29 0.00 -2.87 0.00 0.00 58.31 55.22 1mp1 n LYS 42 Cb 0.15 -1.04 -0.08 0.00 -1.84 0.00 0.00 35.03 32.22 1mp1 n LYS 42 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1mp1 s VAL 43 N -2.04 3.89 -0.05 -0.18 0.11 0.75 -3.98 120.40 118.90 1mp1 s VAL 43 Ca -0.02 -1.11 -0.20 0.00 -2.93 0.00 0.00 61.98 57.72 1mp1 s VAL 43 Cb 0.01 -2.88 -0.05 0.00 -1.53 0.00 0.00 36.38 31.93 1mp1 s VAL 43 CO 0.05 0.07 0.55 0.20 -3.33 0.00 0.00 175.10 172.63 1mp1 s ASN 44 N -2.44 6.85 0.01 3.54 -0.87 0.79 -4.28 114.94 118.54 1mp1 s ASN 44 Ca 0.26 1.02 0.21 0.00 -1.57 0.00 0.00 52.86 52.77 1mp1 s ASN 44 Cb -0.11 -2.33 -0.23 0.00 -0.02 0.00 0.00 41.25 38.56 1mp1 s ASN 44 CO 0.18 0.05 0.59 0.00 -2.57 0.00 0.00 177.10 175.35 1mp1 n LEU 45 N 3.15 0.30 -0.27 0.60 -0.00 -1.26 -4.17 117.00 115.34 1mp1 n LEU 45 Ca -0.07 0.12 -0.02 0.00 -0.00 0.00 0.00 56.01 56.05 1mp1 n LEU 45 Cb 0.51 0.07 0.16 0.00 -0.00 0.00 0.00 43.42 44.16 1mp1 n LEU 45 CO 0.43 0.05 1.19 -0.33 -0.00 0.00 0.00 177.39 178.73 1mp1 h GLU 46 N 0.00 1.12 0.00 1.47 4.39 -1.93 0.22 114.58 119.85 1mp1 h GLU 46 Ca -0.10 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1mp1 h GLU 46 Cb 1.25 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1mp1 h GLU 46 CO 0.01 0.80 0.00 1.33 -1.16 0.00 0.00 179.01 179.99 1mp1 n VAL 47 N -4.36 0.65 0.41 3.13 0.24 -1.26 -0.97 118.33 116.18 1mp1 n VAL 47 Ca 0.09 0.16 0.05 0.00 -2.04 0.00 0.00 64.34 62.60 1mp1 n VAL 47 Cb 0.08 -0.92 0.01 0.00 -1.47 0.00 0.00 33.84 31.54 1mp1 n VAL 47 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1mp1 n ILE 48 N -1.33 0.00 -0.14 1.34 2.08 0.61 -4.44 119.36 117.49 1mp1 n ILE 48 Ca 0.06 -0.42 -0.08 0.00 0.56 0.00 0.00 62.75 62.87 1mp1 n ILE 48 Cb 0.13 1.13 0.00 0.00 -0.75 0.00 0.00 39.64 40.15 1mp1 n ILE 48 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 1mp1 h LYS 49 N 1.22 0.59 0.00 0.38 1.79 0.71 1.20 116.57 122.46 1mp1 h LYS 49 Ca 0.00 -0.07 -0.13 0.00 -2.18 0.00 0.00 60.65 58.27 1mp1 h LYS 49 Cb 0.34 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.85 1mp1 h LYS 49 CO 0.00 0.47 -0.62 -1.00 -1.08 0.00 0.00 179.45 177.23 1mp1 h PRO 50 N 0.54 0.00 -0.01 3.15 0.13 -1.80 0.35 132.00 134.36 1mp1 h PRO 50 Ca 0.15 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.23 1mp1 h PRO 50 Cb 0.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.19 1mp1 h PRO 50 CO -0.02 0.62 -0.17 2.35 -0.23 0.00 0.00 178.00 180.54 1mp1 h TRP 51 N 0.00 0.20 0.14 1.56 7.01 -1.66 0.49 115.95 123.69 1mp1 h TRP 51 Ca -0.01 -0.10 -0.01 0.00 2.11 0.00 0.00 58.89 60.89 1mp1 h TRP 51 Cb 1.22 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 28.26 1mp1 h TRP 51 CO 0.00 0.85 -0.07 0.82 -2.79 0.00 0.00 178.44 177.25 1mp1 h ILE 52 N -0.51 1.00 -0.96 2.65 2.04 0.15 1.07 117.51 122.94 1mp1 h ILE 52 Ca -0.02 -0.73 0.07 0.00 1.00 0.00 0.00 64.86 65.18 1mp1 h ILE 52 Cb 0.89 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 38.35 1mp1 h ILE 52 CO 0.03 0.17 0.62 0.74 0.00 0.00 0.00 178.15 179.72 1mp1 h THR 53 N -0.55 1.06 -0.05 -0.27 2.02 -0.40 1.09 112.91 115.81 1mp1 h THR 53 Ca -0.02 -0.37 -0.24 0.00 0.77 0.00 0.00 66.41 66.54 1mp1 h THR 53 Cb 0.43 -0.13 0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1mp1 h THR 53 CO 0.03 0.20 -0.92 0.50 0.37 0.00 0.00 175.52 175.70 1mp1 h LYS 54 N 1.09 0.67 0.05 6.66 3.64 -0.77 -1.36 116.57 126.55 1mp1 h LYS 54 Ca 0.42 -0.65 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1mp1 h LYS 54 Cb 0.22 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1mp1 h LYS 54 CO -0.17 1.25 -0.02 0.00 -2.27 0.00 0.00 179.45 178.24 1mp1 h ARG 55 N 0.41 -0.07 -0.93 1.90 2.47 0.23 0.64 114.38 119.04 1mp1 h ARG 55 Ca -0.09 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.63 1mp1 h ARG 55 Cb 1.56 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 29.85 1mp1 h ARG 55 CO 0.18 0.20 0.58 -0.39 0.56 0.00 0.00 179.97 181.10 1mp1 h VAL 56 N -0.33 1.25 -0.41 2.04 -1.51 0.11 0.90 116.25 118.30 1mp1 h VAL 56 Ca -0.01 -0.52 -0.14 0.00 -1.23 0.00 0.00 66.70 64.81 1mp1 h VAL 56 Cb 0.30 -0.07 -0.01 0.00 -2.13 0.00 0.00 31.29 29.38 1mp1 h VAL 56 CO 0.01 0.26 -0.29 0.74 -1.23 0.00 0.00 177.57 177.06 1mp1 h THR 57 N 1.27 1.27 0.00 7.19 2.02 -1.08 -2.84 112.91 120.75 1mp1 h THR 57 Ca 0.33 -1.45 -0.13 0.00 0.77 0.00 0.00 66.41 65.93 1mp1 h THR 57 Cb -0.08 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1mp1 h THR 57 CO -0.07 0.49 -0.64 -0.33 0.37 0.00 0.00 175.52 175.35 1mp1 h GLU 58 N 0.75 0.00 -0.40 6.66 5.08 0.10 3.13 114.58 129.90 1mp1 h GLU 58 Ca 0.08 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1mp1 h GLU 58 Cb 0.86 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 1mp1 h GLU 58 CO 0.08 0.64 0.15 0.82 -1.00 0.00 0.00 179.01 179.69 1mp1 h ILE 59 N 0.00 0.90 0.00 3.13 2.04 0.10 -3.29 117.51 120.40 1mp1 h ILE 59 Ca -0.01 -0.11 -0.43 0.00 1.00 0.00 0.00 64.86 65.31 1mp1 h ILE 59 Cb 1.17 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 37.74 1mp1 h ILE 59 CO 0.08 0.06 -2.48 0.00 0.00 0.00 0.00 178.15 175.81 1mp1 n LEU 60 N -5.00 2.38 0.00 1.44 -0.00 -1.15 -5.02 117.00 109.66 1mp1 n LEU 60 Ca 0.02 0.15 0.00 0.00 -0.00 0.00 0.00 56.01 56.18 1mp1 n LEU 60 Cb 0.14 -0.87 0.00 0.00 -0.00 0.00 0.00 43.42 42.69 1mp1 n LEU 60 CO 0.27 0.72 0.00 0.61 -0.00 0.00 0.00 177.39 179.00 1mp1 n GLY 61 N 1.68 1.23 3.26 1.47 0.00 1.03 -5.10 105.19 108.76 1mp1 n GLY 61 Ca -0.50 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 1mp1 n GLY 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mp1 s PHE 62 N -1.35 1.52 -0.39 1.61 -0.12 -0.52 -4.82 117.98 113.91 1mp1 s PHE 62 Ca 0.00 -0.51 -0.29 0.00 -0.05 0.00 0.00 56.93 56.09 1mp1 s PHE 62 Cb 0.00 -0.80 -0.00 0.00 -0.63 0.00 0.00 43.02 41.59 1mp1 s PHE 62 CO 0.00 0.18 1.55 -2.00 -0.05 0.00 0.00 175.22 174.91 1mp1 s GLU 63 N -2.50 3.47 0.00 1.99 2.12 -1.26 -4.14 118.70 118.39 1mp1 s GLU 63 Ca 0.09 1.09 0.00 0.00 0.36 0.00 0.00 54.97 56.51 1mp1 s GLU 63 Cb -0.06 -4.09 0.00 0.00 0.26 0.00 0.00 34.13 30.24 1mp1 s GLU 63 CO 0.04 -1.69 0.00 -0.25 -0.54 0.00 0.00 175.26 172.82 1mp1 n ASP 64 N 9.39 0.00 0.00 -1.70 8.00 -1.26 -5.05 116.55 125.93 1mp1 n ASP 64 Ca 0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1mp1 n ASP 64 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 1mp1 n ASP 64 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1mp1 n ASP 65 N 0.00 0.00 -0.15 -2.24 9.92 -1.26 -4.86 116.55 117.96 1mp1 n ASP 65 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 1mp1 n ASP 65 Cb 0.00 0.19 -0.00 0.00 -0.64 0.00 0.00 41.12 40.67 1mp1 n ASP 65 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 1mp1 h VAL 66 N 0.00 1.25 -0.21 2.53 3.04 -1.98 0.60 116.25 121.48 1mp1 h VAL 66 Ca 0.00 -0.95 -0.14 0.00 -1.01 0.00 0.00 66.70 64.60 1mp1 h VAL 66 Cb 0.00 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 1mp1 h VAL 66 CO 0.00 0.33 -0.41 -0.37 -1.01 0.00 0.00 177.57 176.11 1mp1 h VAL 67 N 0.61 1.32 -0.05 1.51 -1.51 -1.92 -1.93 116.25 114.28 1mp1 h VAL 67 Ca 0.13 -1.64 -0.00 0.00 -1.23 0.00 0.00 66.70 63.96 1mp1 h VAL 67 Cb 0.43 1.83 -0.00 0.00 -2.13 0.00 0.00 31.29 31.42 1mp1 h VAL 67 CO 0.01 0.51 0.03 0.40 -1.23 0.00 0.00 177.57 177.29 1mp1 h ILE 68 N 0.35 1.07 -0.82 7.19 2.04 -1.85 -1.78 117.51 123.70 1mp1 h ILE 68 Ca 0.01 -0.20 0.09 0.00 1.00 0.00 0.00 64.86 65.75 1mp1 h ILE 68 Cb 1.02 1.12 -0.07 0.00 -0.74 0.00 0.00 36.82 38.14 1mp1 h ILE 68 CO 0.09 0.06 0.48 -0.33 0.00 0.00 0.00 178.15 178.45 1mp1 h GLU 69 N 0.00 0.79 -0.40 2.37 5.08 0.21 0.95 114.58 123.58 1mp1 h GLU 69 Ca 0.02 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1mp1 h GLU 69 Cb 0.07 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1mp1 h GLU 69 CO -0.00 0.52 0.19 0.74 -1.00 0.00 0.00 179.01 179.46 1mp1 h PHE 70 N 0.82 0.34 -0.17 4.33 0.04 -0.91 2.16 116.94 123.55 1mp1 h PHE 70 Ca 0.39 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 61.06 1mp1 h PHE 70 Cb 0.33 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1mp1 h PHE 70 CO -0.06 0.17 -0.37 0.82 -0.60 0.00 0.00 178.31 178.27 1mp1 h ILE 71 N 0.38 1.35 -0.11 -0.55 2.04 -0.44 0.90 117.51 121.08 1mp1 h ILE 71 Ca 0.17 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.40 1mp1 h ILE 71 Cb 0.10 1.96 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1mp1 h ILE 71 CO -0.13 0.49 0.04 0.15 0.00 0.00 0.00 178.15 178.70 1mp1 h PHE 72 N 0.19 0.18 -0.56 1.37 3.04 0.13 1.70 116.94 122.98 1mp1 h PHE 72 Ca 0.00 -0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.86 1mp1 h PHE 72 Cb 0.97 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 39.41 1mp1 h PHE 72 CO 0.10 0.30 0.06 -0.91 -2.02 0.00 0.00 178.31 175.83 1mp1 h ASN 73 N 0.01 0.88 0.02 0.41 2.35 0.35 0.16 115.58 119.76 1mp1 h ASN 73 Ca 0.04 -0.20 -0.21 0.00 -0.55 0.00 0.00 56.30 55.37 1mp1 h ASN 73 Cb 0.20 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.34 1mp1 h ASN 73 CO -0.00 0.91 -0.78 1.56 -1.65 0.00 0.00 177.43 177.47 1mp1 h GLN 74 N 0.87 0.64 0.00 0.81 7.50 -0.56 -2.73 115.11 121.64 1mp1 h GLN 74 Ca 0.17 -0.54 0.00 0.00 0.50 0.00 0.00 58.65 58.79 1mp1 h GLN 74 Cb 0.43 0.12 0.00 0.00 0.05 0.00 0.00 27.48 28.07 1mp1 h GLN 74 CO 0.01 1.15 0.00 1.28 -1.50 0.00 0.00 178.83 179.78 1mp1 n LEU 75 N -3.89 0.00 -0.18 1.46 4.77 0.58 -2.67 117.00 117.07 1mp1 n LEU 75 Ca -0.06 0.08 0.14 0.00 -0.03 0.00 0.00 56.01 56.14 1mp1 n LEU 75 Cb 0.74 -0.08 0.61 0.00 -2.33 0.00 0.00 43.42 42.36 1mp1 n LEU 75 CO 0.51 -0.00 0.87 -0.62 -1.33 0.00 0.00 177.39 176.82 1mp1 n GLU 76 N -1.08 0.91 -1.79 3.23 -0.58 0.54 -4.84 120.64 117.03 1mp1 n GLU 76 Ca 0.21 -0.36 -0.06 0.00 -0.42 0.00 0.00 57.16 56.52 1mp1 n GLU 76 Cb 0.14 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 29.53 1mp1 n GLU 76 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1mp1 n VAL 77 N -0.73 0.00 -0.01 2.62 0.24 -1.09 -5.04 118.33 114.32 1mp1 n VAL 77 Ca 0.16 -0.60 0.10 0.00 -2.04 0.00 0.00 64.34 61.97 1mp1 n VAL 77 Cb 0.28 -0.69 -0.17 0.00 -1.47 0.00 0.00 33.84 31.79 1mp1 n VAL 77 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1mp1 n LYS 78 N -1.21 0.66 -3.44 7.34 4.01 -1.26 -4.43 118.16 119.83 1mp1 n LYS 78 Ca 0.03 -0.19 -0.28 0.00 -0.51 0.00 0.00 58.31 57.36 1mp1 n LYS 78 Cb 0.18 -1.52 -0.11 0.00 -0.51 0.00 0.00 35.03 33.06 1mp1 n LYS 78 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1mp1 s ASN 79 N -4.56 2.66 0.47 4.39 0.01 -1.26 -2.41 114.94 114.25 1mp1 s ASN 79 Ca -0.08 -2.20 -0.21 0.00 -0.71 0.00 0.00 52.86 49.66 1mp1 s ASN 79 Cb 0.14 -0.30 -0.09 0.00 0.41 0.00 0.00 41.25 41.41 1mp1 s ASN 79 CO 0.91 -0.29 1.04 -2.16 -1.51 0.00 0.00 177.10 175.08 1mp1 s PRO 80 N 1.02 3.85 -0.94 -0.60 0.04 -1.26 -4.99 135.00 132.12 1mp1 s PRO 80 Ca 0.19 1.38 -0.14 0.00 0.04 0.00 0.00 61.00 62.48 1mp1 s PRO 80 Cb -0.20 -2.15 0.21 0.00 0.04 0.00 0.00 34.50 32.40 1mp1 s PRO 80 CO -0.01 -0.40 0.96 0.34 0.04 0.00 0.00 177.00 177.94 1mp1 s ASP 81 N -1.92 6.89 0.59 6.66 2.15 -1.26 -4.84 116.67 124.94 1mp1 s ASP 81 Ca 0.66 -2.81 0.31 0.00 0.43 0.00 0.00 52.55 51.15 1mp1 s ASP 81 Cb -0.17 -2.26 1.24 0.00 -0.30 0.00 0.00 42.92 41.43 1mp1 s ASP 81 CO 0.21 -0.61 1.54 0.77 -0.17 0.00 0.00 175.17 176.91 1mp1 h SER 82 N 7.67 0.00 -0.45 -0.34 4.64 -1.94 1.65 113.55 124.77 1mp1 h SER 82 Ca 0.15 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.44 1mp1 h SER 82 Cb 0.99 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.06 1mp1 h SER 82 CO 0.91 0.00 0.17 0.11 -0.87 0.00 0.00 176.83 177.15 1mp1 h LYS 83 N 0.00 0.69 -0.27 4.77 1.79 -1.89 -0.97 116.57 120.70 1mp1 h LYS 83 Ca 0.49 -0.13 -0.14 0.00 -2.18 0.00 0.00 60.65 58.69 1mp1 h LYS 83 Cb 2.53 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 33.07 1mp1 h LYS 83 CO -0.01 0.64 -0.40 0.52 -1.08 0.00 0.00 179.45 179.13 1mp1 h MET 84 N 0.59 0.64 0.38 3.15 2.86 0.20 -0.34 114.93 122.41 1mp1 h MET 84 Ca 0.15 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 1mp1 h MET 84 Cb 0.22 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1mp1 h MET 84 CO -0.01 0.92 -0.18 1.98 1.06 0.00 0.00 176.91 180.68 1mp1 h MET 85 N 0.52 -0.49 -0.27 1.72 -1.53 -1.07 1.14 114.93 114.95 1mp1 h MET 85 Ca 0.05 0.03 -0.08 0.00 -3.44 0.00 0.00 59.70 56.26 1mp1 h MET 85 Cb 0.92 0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 32.06 1mp1 h MET 85 CO 0.08 -0.30 -0.19 0.37 0.14 0.00 0.00 176.91 177.00 1mp1 h GLN 86 N -0.55 0.48 -0.37 0.39 4.15 -1.20 0.81 115.11 118.82 1mp1 h GLN 86 Ca -0.05 -0.16 -0.17 0.00 0.77 0.00 0.00 58.65 59.04 1mp1 h GLN 86 Cb 0.42 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 1mp1 h GLN 86 CO 0.09 0.65 -0.42 0.82 -1.93 0.00 0.00 178.83 178.04 1mp1 h ILE 87 N 0.43 1.27 -0.10 2.39 2.04 -0.78 0.19 117.51 122.96 1mp1 h ILE 87 Ca 0.07 -1.59 -0.19 0.00 1.00 0.00 0.00 64.86 64.16 1mp1 h ILE 87 Cb 0.58 1.42 0.01 0.00 -0.74 0.00 0.00 36.82 38.09 1mp1 h ILE 87 CO 0.04 0.53 -0.66 0.78 0.00 0.00 0.00 178.15 178.84 1mp1 h ASN 88 N 0.75 0.75 -0.40 1.72 2.35 0.17 -2.92 115.58 118.00 1mp1 h ASN 88 Ca 0.05 -0.66 0.01 0.00 -0.55 0.00 0.00 56.30 55.16 1mp1 h ASN 88 Cb 1.02 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.14 1mp1 h ASN 88 CO 0.10 1.30 0.24 -0.07 -1.65 0.00 0.00 177.43 177.35 1mp1 h LEU 89 N 0.26 0.39 -2.26 1.61 3.38 0.68 -0.36 115.31 119.01 1mp1 h LEU 89 Ca -0.06 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1mp1 h LEU 89 Cb 1.31 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1mp1 h LEU 89 CO 0.14 0.28 0.11 0.74 0.09 0.00 0.00 178.44 179.80 1mp1 h THR 90 N 0.49 0.59 0.00 0.22 2.02 -0.96 1.61 112.91 116.87 1mp1 h THR 90 Ca 0.15 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 1mp1 h THR 90 Cb -0.01 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1mp1 h THR 90 CO -0.06 0.00 -0.07 1.23 0.37 0.00 0.00 175.52 176.98 1mp1 h GLY 91 N 0.00 0.00 0.00 2.16 0.00 -0.86 -3.29 103.07 101.08 1mp1 h GLY 91 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 1mp1 h GLY 91 CO -0.00 0.00 -1.27 0.69 0.00 0.00 0.00 176.54 175.96 1mp1 n PHE 92 N -3.48 0.00 -0.22 5.60 3.01 0.54 -5.05 117.46 117.86 1mp1 n PHE 92 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1mp1 n PHE 92 Cb 0.21 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 1mp1 n PHE 92 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1mp1 n LEU 93 N -2.83 0.00 0.01 4.37 4.77 0.52 -4.97 117.00 118.88 1mp1 n LEU 93 Ca -0.09 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.92 1mp1 n LEU 93 Cb 0.58 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.57 1mp1 n LEU 93 CO 0.03 -0.67 -0.51 -0.46 -1.33 0.00 0.00 177.39 174.46 1mp1 n ASN 94 N -1.51 0.50 0.00 -1.43 0.23 -1.26 -4.80 115.26 106.99 1mp1 n ASN 94 Ca 0.00 0.21 0.00 0.00 -0.53 0.00 0.00 54.58 54.26 1mp1 n ASN 94 Cb 0.00 0.81 0.00 0.00 -2.08 0.00 0.00 39.78 38.51 1mp1 n ASN 94 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mp1 n GLY 95 N 1.39 3.50 0.21 4.83 0.00 -1.26 -4.87 105.19 108.98 1mp1 n GLY 95 Ca -0.11 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 1mp1 n GLY 95 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1mp1 h LYS 96 N 0.00 0.60 -0.23 1.61 3.64 -1.98 -2.69 116.57 117.51 1mp1 h LYS 96 Ca 0.00 -0.44 -0.10 0.00 -1.27 0.00 0.00 60.65 58.84 1mp1 h LYS 96 Cb 0.00 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1mp1 h LYS 96 CO 0.00 1.06 -0.27 -0.91 -2.27 0.00 0.00 179.45 177.07 1mp1 h ASN 97 N 0.43 0.45 -0.54 4.20 2.35 -1.97 -1.55 115.58 118.95 1mp1 h ASN 97 Ca -0.02 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.52 1mp1 h ASN 97 Cb 1.26 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.48 1mp1 h ASN 97 CO 0.13 0.71 0.14 0.00 -1.65 0.00 0.00 177.43 176.76 1mp1 h ALA 98 N 1.32 1.15 -0.38 -0.83 0.00 -1.87 0.98 119.26 119.63 1mp1 h ALA 98 Ca 0.06 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1mp1 h ALA 98 Cb 0.68 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1mp1 h ALA 98 CO 0.05 0.58 -0.38 0.00 0.00 0.00 0.00 179.25 179.50 1mp1 h ARG 99 N 0.87 0.91 -0.11 0.00 3.08 -1.11 -1.23 114.38 116.78 1mp1 h ARG 99 Ca 0.19 -0.47 -0.19 0.00 0.07 0.00 0.00 59.98 59.58 1mp1 h ARG 99 Cb 0.32 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.39 1mp1 h ARG 99 CO -0.00 1.12 -0.68 0.93 -1.07 0.00 0.00 179.97 180.27 1mp1 h GLU 100 N 0.74 0.65 -0.10 0.04 4.39 -0.83 -2.16 114.58 117.31 1mp1 h GLU 100 Ca 0.06 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1mp1 h GLU 100 Cb 0.96 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1mp1 h GLU 100 CO 0.09 1.17 0.06 0.35 -1.16 0.00 0.00 179.01 179.52 1mp1 h PHE 101 N 0.31 0.11 -0.38 4.33 3.04 0.10 -2.35 116.94 122.10 1mp1 h PHE 101 Ca -0.05 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.85 1mp1 h PHE 101 Cb 1.32 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.78 1mp1 h PHE 101 CO 0.10 0.07 0.03 1.98 -2.02 0.00 0.00 178.31 178.47 1mp1 h MET 102 N 0.12 0.59 -0.58 1.11 4.05 -1.28 -0.92 114.93 118.01 1mp1 h MET 102 Ca 0.04 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 1mp1 h MET 102 Cb -0.01 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.71 1mp1 h MET 102 CO -0.02 0.59 0.00 0.41 0.23 0.00 0.00 176.91 178.12 1mp1 n GLY 103 N -0.89 0.52 0.00 1.39 0.00 -0.81 -0.37 105.19 105.03 1mp1 n GLY 103 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mp1 n GLY 103 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mp1 n GLU 104 N -0.17 2.04 -0.08 1.61 1.02 -0.47 -4.63 120.64 119.95 1mp1 n GLU 104 Ca 0.01 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.00 1mp1 n GLU 104 Cb 0.17 -0.80 -0.14 0.00 -0.02 0.00 0.00 31.44 30.65 1mp1 n GLU 104 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1mp1 n LEU 105 N -1.52 1.71 -0.24 -4.62 -0.00 -0.49 -3.07 117.00 108.78 1mp1 n LEU 105 Ca 0.00 0.03 -0.05 0.00 -0.00 0.00 0.00 56.01 55.99 1mp1 n LEU 105 Cb 0.30 -0.36 0.05 0.00 -0.00 0.00 0.00 43.42 43.41 1mp1 n LEU 105 CO 0.00 0.72 1.14 -0.25 -0.00 0.00 0.00 177.39 178.99 1mp1 h TRP 106 N 0.01 0.88 0.00 1.96 2.91 -0.93 -1.68 115.95 119.11 1mp1 h TRP 106 Ca -0.51 0.01 -0.13 0.00 1.13 0.00 0.00 58.89 59.39 1mp1 h TRP 106 Cb 2.05 -0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 30.39 1mp1 h TRP 106 CO 0.02 0.58 -0.61 -1.00 -1.03 0.00 0.00 178.44 176.40 1mp1 h PRO 107 N 0.92 0.00 -0.58 2.65 0.13 -1.74 -2.76 132.00 130.63 1mp1 h PRO 107 Ca 0.25 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.40 1mp1 h PRO 107 Cb -0.06 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.04 1mp1 h PRO 107 CO -0.05 0.61 0.37 1.25 -0.23 0.00 0.00 178.00 179.95 1mp1 h LEU 108 N 0.00 0.61 -0.70 1.56 5.85 -1.26 -1.26 115.31 120.11 1mp1 h LEU 108 Ca -0.01 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 1mp1 h LEU 108 Cb 1.22 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1mp1 h LEU 108 CO 0.08 0.43 -0.56 -0.07 -0.34 0.00 0.00 178.44 177.98 1mp1 h LEU 109 N 0.73 0.29 -0.61 2.25 3.38 -1.34 -0.78 115.31 119.23 1mp1 h LEU 109 Ca 0.23 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.14 1mp1 h LEU 109 Cb -0.02 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 1mp1 h LEU 109 CO -0.08 0.79 0.21 -0.07 0.09 0.00 0.00 178.44 179.38 1mp1 h LEU 110 N 0.20 0.20 -0.03 1.67 4.07 -0.95 1.46 115.31 121.91 1mp1 h LEU 110 Ca -0.00 0.08 -0.23 0.00 0.08 0.00 0.00 57.88 57.81 1mp1 h LEU 110 Cb 1.05 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.85 1mp1 h LEU 110 CO 0.09 0.12 -1.05 -1.28 -1.08 0.00 0.00 178.44 175.23 1mp1 h SER 111 N 0.39 0.22 -0.23 -0.43 0.87 -1.23 -3.20 113.55 109.94 1mp1 h SER 111 Ca 0.31 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1mp1 h SER 111 Cb 0.40 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1mp1 h SER 111 CO -0.32 1.13 0.05 0.00 -0.53 0.00 0.00 176.83 177.16 1mp1 h ALA 112 N 0.84 0.30 0.00 6.23 0.00 0.31 -1.55 119.26 125.40 1mp1 h ALA 112 Ca -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1mp1 h ALA 112 Cb 1.77 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1mp1 h ALA 112 CO 0.16 -0.04 0.00 -0.56 0.00 0.00 0.00 179.25 178.81 1mp1 h GLN 113 N 0.19 0.00 -0.00 0.00 3.07 0.19 0.46 115.11 119.02 1mp1 h GLN 113 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.81 1mp1 h GLN 113 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.84 1mp1 h GLN 113 CO 0.00 0.00 -0.48 0.39 0.09 0.00 0.00 178.83 178.84 1mp1 n GLU 114 N -2.37 0.04 -0.09 0.06 -0.58 -0.60 -4.80 120.64 112.29 1mp1 n GLU 114 Ca -0.01 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 1mp1 n GLU 114 Cb 0.06 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 1mp1 n GLU 114 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1mp1 n ASN 115 N -1.46 0.00 -0.05 1.62 2.85 0.16 -5.06 115.26 113.32 1mp1 n ASN 115 Ca 0.06 -0.25 -0.09 0.00 -0.11 0.00 0.00 54.58 54.20 1mp1 n ASN 115 Cb 0.34 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.31 1mp1 n ASN 115 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1mp1 n ILE 116 N -0.40 0.59 1.35 -1.44 0.00 -1.26 -4.52 119.36 113.68 1mp1 n ILE 116 Ca 0.00 -0.20 0.10 0.00 0.00 0.00 0.00 62.75 62.65 1mp1 n ILE 116 Cb 0.00 -1.12 0.38 0.00 0.00 0.00 0.00 39.64 38.91 1mp1 n ILE 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1mp1 n ALA 117 N -3.02 2.53 -3.29 1.51 0.00 -1.26 -4.90 120.51 112.07 1mp1 n ALA 117 Ca -0.19 -0.45 -0.17 0.00 0.00 0.00 0.00 53.44 52.62 1mp1 n ALA 117 Cb 0.68 -1.11 0.06 0.00 0.00 0.00 0.00 19.45 19.07 1mp1 n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mp1 n GLY 118 N 1.06 -0.14 3.37 0.00 0.00 -1.25 -4.35 105.19 103.87 1mp1 n GLY 118 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1mp1 n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mp1 s ILE 119 N -3.23 2.52 0.33 -0.61 1.09 -1.25 -0.14 121.20 119.90 1mp1 s ILE 119 Ca 0.41 -0.91 -0.27 0.00 -1.10 0.00 0.00 60.65 58.78 1mp1 s ILE 119 Cb -0.18 -1.95 -0.09 0.00 -1.06 0.00 0.00 42.46 39.18 1mp1 s ILE 119 CO 0.53 0.58 1.07 -2.16 -0.10 0.00 0.00 174.94 174.86 1mp1 s PRO 120 N -0.45 4.44 0.48 2.79 0.04 -1.26 -4.24 135.00 136.79 1mp1 s PRO 120 Ca 0.05 1.65 0.30 0.00 0.04 0.00 0.00 61.00 63.04 1mp1 s PRO 120 Cb -0.12 -2.90 1.64 0.00 0.04 0.00 0.00 34.50 33.16 1mp1 s PRO 120 CO 0.01 0.07 1.92 0.66 0.04 0.00 0.00 177.00 179.70 1mp1 h SER 121 N 3.24 0.00 0.01 6.66 4.64 -1.87 0.75 113.55 126.98 1mp1 h SER 121 Ca -0.47 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1mp1 h SER 121 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1mp1 h SER 121 CO 0.65 0.00 -0.01 0.00 -0.87 0.00 0.00 176.83 176.60 1mp1 h ALA 122 N 1.89 1.88 0.00 5.18 0.00 -1.94 -2.33 119.26 123.94 1mp1 h ALA 122 Ca 0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 54.51 1mp1 h ALA 122 Cb 0.10 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 1mp1 h ALA 122 CO 0.00 0.01 -2.47 1.19 0.00 0.00 0.00 179.25 177.98 1mp1 n PHE 123 N -4.37 0.00 -0.02 0.00 3.72 0.22 -3.89 117.46 113.12 1mp1 n PHE 123 Ca -0.03 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.34 1mp1 n PHE 123 Cb 0.10 -1.00 -0.02 0.00 -0.94 0.00 0.00 39.48 37.61 1mp1 n PHE 123 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1mp1 h LEU 124 N 0.00 -0.42 0.18 4.37 3.38 -1.21 -3.08 115.31 118.53 1mp1 h LEU 124 Ca -0.58 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 1mp1 h LEU 124 Cb 1.93 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.84 1mp1 h LEU 124 CO -0.08 -0.11 -0.18 -0.08 0.09 0.00 0.00 178.44 178.08 1mp1 h GLU 125 N -0.12 -0.35 -6.13 1.13 4.81 -1.68 -3.43 114.58 108.82 1mp1 h GLU 125 Ca 0.01 0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 58.98 1mp1 h GLU 125 Cb 0.15 0.08 0.16 0.00 0.63 0.00 0.00 28.75 29.77 1mp1 h GLU 125 CO -0.12 -0.23 -0.66 1.28 -0.73 0.00 0.00 179.01 178.55 1mp1 n LEU 126 N -3.45 -1.74 -3.12 1.64 4.77 -1.16 -5.03 117.00 108.91 1mp1 n LEU 126 Ca -0.04 -0.28 0.05 0.00 -0.03 0.00 0.00 56.01 55.70 1mp1 n LEU 126 Cb 0.17 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 1mp1 n LEU 126 CO 0.09 -3.09 0.43 -0.75 -1.33 0.00 0.00 177.39 172.75 1mp1 s LYS 127 N -3.27 0.23 -0.58 3.23 2.36 -1.26 -4.85 119.74 115.60 1mp1 s LYS 127 Ca 0.39 0.18 -0.18 0.00 -2.55 0.00 0.00 55.97 53.81 1mp1 s LYS 127 Cb -0.06 0.09 0.03 0.00 -1.05 0.00 0.00 37.83 36.84 1mp1 s LYS 127 CO 0.42 -0.42 0.64 1.63 1.55 0.00 0.00 175.35 179.17 1mp1 n LYS 128 N 5.02 -1.87 0.24 4.03 4.01 -1.26 -4.91 118.16 123.42 1mp1 n LYS 128 Ca 0.08 1.48 -0.09 0.00 -0.51 0.00 0.00 58.31 59.27 1mp1 n LYS 128 Cb 0.58 -3.67 -0.04 0.00 -0.51 0.00 0.00 35.03 31.38 1mp1 n LYS 128 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1mp1 h GLU 129 N 1.28 -0.58 -0.45 1.97 4.57 -2.01 -3.44 114.58 115.92 1mp1 h GLU 129 Ca -0.34 0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 57.84 1mp1 h GLU 129 Cb 1.23 0.13 -0.16 0.00 -0.16 0.00 0.00 28.75 29.80 1mp1 h GLU 129 CO 0.26 -0.39 -0.24 -2.00 -1.18 0.00 0.00 179.01 175.47 1mp1 s GLU 130 N -4.29 0.48 -0.35 1.92 2.12 -1.26 -5.12 118.70 112.20 1mp1 s GLU 130 Ca -0.09 -0.47 -0.24 0.00 0.36 0.00 0.00 54.97 54.53 1mp1 s GLU 130 Cb 0.01 -0.02 0.01 0.00 0.26 0.00 0.00 34.13 34.39 1mp1 s GLU 130 CO 0.26 -0.60 0.85 0.42 -0.54 0.00 0.00 175.26 175.66 1mp1 s ILE 131 N 0.97 4.69 -0.56 -3.70 1.09 -1.26 -4.97 121.20 117.45 1mp1 s ILE 131 Ca 0.25 1.11 -0.26 0.00 -1.10 0.00 0.00 60.65 60.65 1mp1 s ILE 131 Cb 0.09 -4.25 -0.04 0.00 -1.06 0.00 0.00 42.46 37.20 1mp1 s ILE 131 CO -0.09 -0.42 2.05 -0.75 -0.10 0.00 0.00 174.94 175.63 1mp1 s LYS 132 N 3.22 2.45 -0.50 2.79 2.36 -1.26 -4.85 119.74 123.96 1mp1 s LYS 132 Ca 0.35 0.90 -0.46 0.00 -2.55 0.00 0.00 55.97 54.21 1mp1 s LYS 132 Cb -0.13 -4.46 -0.20 0.00 -1.05 0.00 0.00 37.83 32.00 1mp1 s LYS 132 CO 0.16 -2.91 1.74 0.00 1.55 0.00 0.00 175.35 175.89 1mp1 n GLN 133 N 9.12 0.00 -0.00 4.03 10.64 -1.26 -5.32 117.38 134.59 1mp1 n GLN 133 Ca 0.26 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.43 1mp1 n GLN 133 Cb 0.53 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.41 1mp1 n GLN 133 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77