#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 -4.46 1.43 -0.00 -1.26 -4.72 115.22 106.21 1mp1 n HIS 25 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.50 1mp1 n HIS 25 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.89 1mp1 n HIS 25 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1mp1 s MET 26 N 0.00 1.72 -0.30 1.57 1.00 -1.26 -5.07 119.30 116.97 1mp1 s MET 26 Ca 0.00 -1.99 -0.15 0.00 0.00 0.00 0.00 55.69 53.55 1mp1 s MET 26 Cb 0.00 -0.70 0.15 0.00 0.00 0.00 0.00 34.83 34.28 1mp1 s MET 26 CO 0.00 -0.31 0.95 1.14 0.00 0.00 0.00 175.02 176.80 1mp1 s GLN 27 N -3.85 0.36 0.04 2.03 -2.07 -1.26 -4.91 119.66 110.00 1mp1 s GLN 27 Ca 0.32 0.78 -0.04 0.00 -1.82 0.00 0.00 55.36 54.60 1mp1 s GLN 27 Cb 0.06 0.33 0.01 0.00 -1.09 0.00 0.00 33.01 32.33 1mp1 s GLN 27 CO 0.15 -0.10 0.18 1.47 -1.32 0.00 0.00 175.29 175.67 1mp1 n LEU 28 N 4.52 0.00 -4.89 2.60 -0.00 -1.26 -5.12 117.00 112.86 1mp1 n LEU 28 Ca -0.13 -0.29 -0.30 0.00 -0.00 0.00 0.00 56.01 55.28 1mp1 n LEU 28 Cb 0.54 0.54 -0.04 0.00 -0.00 0.00 0.00 43.42 44.46 1mp1 n LEU 28 CO -0.02 -0.10 0.24 -0.75 -0.00 0.00 0.00 177.39 176.77 1mp1 s LYS 29 N -2.01 3.74 0.32 1.47 2.20 -1.26 -4.96 119.74 119.23 1mp1 s LYS 29 Ca 0.04 0.20 0.01 0.00 -0.36 0.00 0.00 55.97 55.86 1mp1 s LYS 29 Cb -0.01 -2.61 -0.00 0.00 -1.51 0.00 0.00 37.83 33.70 1mp1 s LYS 29 CO 0.01 0.23 0.05 1.97 -0.36 0.00 0.00 175.35 177.25 1mp1 n PHE 30 N -0.60 0.48 -0.79 4.03 1.16 -1.26 -4.97 117.46 115.51 1mp1 n PHE 30 Ca -0.00 -1.76 -0.01 0.00 -1.87 0.00 0.00 57.45 53.81 1mp1 n PHE 30 Cb 0.53 -0.13 0.01 0.00 -1.61 0.00 0.00 39.48 38.28 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 -1.79 -0.06 -0.05 1.98 0.00 -1.26 -5.02 120.51 114.31 1mp1 n ALA 31 Ca -0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.23 1mp1 n ALA 31 Cb 0.43 -0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 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 -1.31 2.05 0.22 0.00 0.28 -1.26 -4.37 120.64 116.25 1mp1 n GLU 32 Ca 0.00 -0.02 0.15 0.00 -0.16 0.00 0.00 57.16 57.14 1mp1 n GLU 32 Cb 0.01 -1.27 0.73 0.00 1.43 0.00 0.00 31.44 32.35 1mp1 n GLU 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1mp1 n LEU 34 N -2.62 0.00 -1.86 0.00 4.77 -1.26 -1.97 117.00 114.06 1mp1 n LEU 34 Ca -0.00 0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 56.24 1mp1 n LEU 34 Cb 0.16 -0.35 0.23 0.00 -2.33 0.00 0.00 43.42 41.13 1mp1 n LEU 34 CO 0.19 -0.17 0.98 -0.62 -1.33 0.00 0.00 177.39 176.44 1mp1 n GLU 35 N -1.35 3.00 0.00 3.23 1.02 0.19 -3.94 120.64 122.80 1mp1 n GLU 35 Ca 0.06 -2.54 0.11 0.00 -0.02 0.00 0.00 57.16 54.77 1mp1 n GLU 35 Cb 0.14 -2.05 0.04 0.00 -0.02 0.00 0.00 31.44 29.55 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 -0.25 0.51 -1.16 3.49 4.76 -0.83 -5.07 118.16 119.61 1mp1 n LYS 36 Ca 0.38 -0.40 0.14 0.00 -2.87 0.00 0.00 58.31 55.56 1mp1 n LYS 36 Cb 1.28 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 32.93 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 -0.89 -2.23 -1.08 1.97 4.01 -1.25 -5.03 118.16 113.64 1mp1 n LYS 37 Ca 0.07 1.64 0.00 0.00 -0.51 0.00 0.00 58.31 59.51 1mp1 n LYS 37 Cb 0.38 -2.80 0.00 0.00 -0.51 0.00 0.00 35.03 32.10 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 -3.58 0.00 -3.07 -0.18 0.24 -1.26 -4.85 118.33 105.62 1mp1 n VAL 38 Ca -0.02 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.31 1mp1 n VAL 38 Cb 0.63 0.00 -0.00 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 -0.30 -1.01 0.56 -1.34 2.15 -1.26 -4.84 116.67 110.63 1mp1 s ASP 39 Ca 0.00 -0.20 0.29 0.00 0.43 0.00 0.00 52.55 53.06 1mp1 s ASP 39 Cb 0.00 1.45 1.64 0.00 -0.30 0.00 0.00 42.92 45.71 1mp1 s ASP 39 CO 0.00 -0.15 2.16 0.24 -0.17 0.00 0.00 175.17 177.25 1mp1 h MET 40 N 6.92 0.00 0.00 4.34 2.86 -1.71 0.19 114.93 127.53 1mp1 h MET 40 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1mp1 h MET 40 Cb 1.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.85 1mp1 h MET 40 CO 0.03 0.07 0.00 0.45 1.06 0.00 0.00 176.91 178.51 1mp1 n SER 41 N -3.71 0.00 -0.02 1.22 2.88 -1.26 -3.07 113.62 109.67 1mp1 n SER 41 Ca -0.02 0.19 -0.02 0.00 -1.33 0.00 0.00 58.87 57.69 1mp1 n SER 41 Cb 0.17 -0.36 -0.02 0.00 -0.75 0.00 0.00 64.21 63.26 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 -1.36 0.54 -4.14 -1.46 4.76 0.18 -5.04 118.16 111.65 1mp1 n LYS 42 Ca 0.07 0.02 -0.29 0.00 -2.87 0.00 0.00 58.31 55.23 1mp1 n LYS 42 Cb 0.16 -1.06 -0.08 0.00 -1.84 0.00 0.00 35.03 32.21 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 -2.06 4.00 -0.09 -0.18 0.11 0.43 -4.01 120.40 118.60 1mp1 s VAL 43 Ca -0.04 -1.10 -0.22 0.00 -2.93 0.00 0.00 61.98 57.70 1mp1 s VAL 43 Cb 0.01 -2.94 -0.04 0.00 -1.53 0.00 0.00 36.38 31.88 1mp1 s VAL 43 CO 0.08 0.04 0.62 0.20 -3.33 0.00 0.00 175.10 172.71 1mp1 s ASN 44 N -2.54 6.88 0.00 3.54 -0.87 0.18 -4.31 114.94 117.82 1mp1 s ASN 44 Ca 0.27 1.05 0.17 0.00 -1.57 0.00 0.00 52.86 52.78 1mp1 s ASN 44 Cb -0.11 -2.37 -0.18 0.00 -0.02 0.00 0.00 41.25 38.57 1mp1 s ASN 44 CO 0.19 -0.08 0.66 0.00 -2.57 0.00 0.00 177.10 175.30 1mp1 n LEU 45 N 3.77 0.65 -0.28 0.60 -0.00 -1.26 -4.06 117.00 116.42 1mp1 n LEU 45 Ca -0.03 0.29 0.04 0.00 -0.00 0.00 0.00 56.01 56.30 1mp1 n LEU 45 Cb 0.51 0.14 0.25 0.00 -0.00 0.00 0.00 43.42 44.32 1mp1 n LEU 45 CO 0.46 0.20 1.25 -0.33 -0.00 0.00 0.00 177.39 178.97 1mp1 h GLU 46 N 0.00 0.98 0.00 1.47 4.39 -1.94 0.57 114.58 120.04 1mp1 h GLU 46 Ca -0.22 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1mp1 h GLU 46 Cb 1.66 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 1mp1 h GLU 46 CO 0.04 0.65 0.00 1.33 -1.16 0.00 0.00 179.01 179.87 1mp1 n VAL 47 N -4.48 0.49 0.39 3.13 0.24 -1.26 -1.06 118.33 115.78 1mp1 n VAL 47 Ca 0.13 0.12 0.04 0.00 -2.04 0.00 0.00 64.34 62.59 1mp1 n VAL 47 Cb 0.18 -0.87 -0.03 0.00 -1.47 0.00 0.00 33.84 31.64 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 -1.25 0.00 -0.07 1.34 2.08 0.18 -4.40 119.36 117.25 1mp1 n ILE 48 Ca 0.08 -0.33 -0.08 0.00 0.56 0.00 0.00 62.75 62.98 1mp1 n ILE 48 Cb 0.11 1.03 -0.01 0.00 -0.75 0.00 0.00 39.64 40.03 1mp1 n ILE 48 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1mp1 h LYS 49 N 0.27 0.19 0.00 0.38 1.63 0.65 1.83 116.57 121.53 1mp1 h LYS 49 Ca 0.00 -0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 59.67 1mp1 h LYS 49 Cb 0.22 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 1mp1 h LYS 49 CO 0.00 0.13 -0.58 -1.00 -3.45 0.00 0.00 179.45 174.55 1mp1 h PRO 50 N 0.20 0.00 -0.08 1.90 0.13 -1.81 0.51 132.00 132.85 1mp1 h PRO 50 Ca 0.13 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.06 1mp1 h PRO 50 Cb 0.11 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.25 1mp1 h PRO 50 CO -0.15 0.58 -0.73 2.35 -0.23 0.00 0.00 178.00 179.82 1mp1 h TRP 51 N 0.00 0.89 0.07 1.56 7.01 -1.55 0.79 115.95 124.72 1mp1 h TRP 51 Ca -0.01 -0.43 -0.00 0.00 2.11 0.00 0.00 58.89 60.56 1mp1 h TRP 51 Cb 1.19 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 28.13 1mp1 h TRP 51 CO 0.00 1.24 -0.04 0.82 -2.79 0.00 0.00 178.44 177.68 1mp1 h ILE 52 N 0.29 1.18 -0.94 2.65 2.04 0.29 0.17 117.51 123.18 1mp1 h ILE 52 Ca -0.07 -1.44 0.08 0.00 1.00 0.00 0.00 64.86 64.43 1mp1 h ILE 52 Cb 1.38 2.03 -0.07 0.00 -0.74 0.00 0.00 36.82 39.42 1mp1 h ILE 52 CO 0.15 0.33 0.59 0.74 0.00 0.00 0.00 178.15 179.96 1mp1 h THR 53 N -0.81 1.03 -0.23 -0.27 2.02 -0.07 0.61 112.91 115.18 1mp1 h THR 53 Ca -0.01 -0.36 -0.18 0.00 0.77 0.00 0.00 66.41 66.63 1mp1 h THR 53 Cb 0.61 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1mp1 h THR 53 CO 0.02 0.19 -0.56 0.50 0.37 0.00 0.00 175.52 176.03 1mp1 h LYS 54 N 1.04 0.79 0.05 6.66 3.64 -0.88 -0.65 116.57 127.22 1mp1 h LYS 54 Ca 0.42 -0.54 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1mp1 h LYS 54 Cb 0.24 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1mp1 h LYS 54 CO -0.20 1.17 -0.02 0.00 -2.27 0.00 0.00 179.45 178.13 1mp1 h ARG 55 N 0.54 -0.06 -0.41 1.90 2.47 0.48 0.54 114.38 119.84 1mp1 h ARG 55 Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1mp1 h ARG 55 Cb 1.18 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.49 1mp1 h ARG 55 CO 0.12 0.03 0.24 -0.39 0.56 0.00 0.00 179.97 180.54 1mp1 h VAL 56 N -0.14 1.13 -0.83 2.04 -1.51 0.16 0.73 116.25 117.84 1mp1 h VAL 56 Ca -0.01 -0.31 -0.01 0.00 -1.23 0.00 0.00 66.70 65.14 1mp1 h VAL 56 Cb 0.12 0.60 -0.04 0.00 -2.13 0.00 0.00 31.29 29.84 1mp1 h VAL 56 CO 0.01 0.13 0.46 0.74 -1.23 0.00 0.00 177.57 177.68 1mp1 h THR 57 N 0.54 1.24 -0.00 7.19 2.02 -0.88 -1.77 112.91 121.25 1mp1 h THR 57 Ca 0.15 -0.58 -0.16 0.00 0.77 0.00 0.00 66.41 66.59 1mp1 h THR 57 Cb 0.01 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 1mp1 h THR 57 CO -0.03 0.27 -0.73 -0.33 0.37 0.00 0.00 175.52 175.06 1mp1 h GLU 58 N 1.15 0.03 -0.35 6.66 5.08 0.72 3.88 114.58 131.75 1mp1 h GLU 58 Ca 0.29 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.66 1mp1 h GLU 58 Cb 0.01 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1mp1 h GLU 58 CO -0.05 0.75 0.16 0.82 -1.00 0.00 0.00 179.01 179.69 1mp1 h ILE 59 N 0.02 0.96 0.00 3.13 2.04 0.13 -3.31 117.51 120.48 1mp1 h ILE 59 Ca -0.01 -0.11 -0.44 0.00 1.00 0.00 0.00 64.86 65.29 1mp1 h ILE 59 Cb 1.30 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 37.90 1mp1 h ILE 59 CO 0.10 0.06 -2.53 0.00 0.00 0.00 0.00 178.15 175.78 1mp1 n LEU 60 N -4.96 2.26 0.00 1.44 -0.00 -0.95 -5.01 117.00 109.78 1mp1 n LEU 60 Ca 0.01 0.19 0.00 0.00 -0.00 0.00 0.00 56.01 56.21 1mp1 n LEU 60 Cb 0.10 -0.84 0.00 0.00 -0.00 0.00 0.00 43.42 42.68 1mp1 n LEU 60 CO 0.30 0.69 0.00 0.61 -0.00 0.00 0.00 177.39 178.98 1mp1 n GLY 61 N 1.56 1.25 3.29 1.47 0.00 1.27 -5.09 105.19 108.95 1mp1 n GLY 61 Ca -0.52 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.40 1.69 -0.35 1.61 -0.12 -0.69 -4.83 117.98 113.89 1mp1 s PHE 62 Ca 0.00 -0.46 -0.29 0.00 -0.05 0.00 0.00 56.93 56.13 1mp1 s PHE 62 Cb 0.00 -0.89 -0.01 0.00 -0.63 0.00 0.00 43.02 41.50 1mp1 s PHE 62 CO 0.00 0.23 1.59 -2.00 -0.05 0.00 0.00 175.22 174.99 1mp1 s GLU 63 N -2.37 3.51 0.00 1.99 2.56 -1.26 -4.08 118.70 119.05 1mp1 s GLU 63 Ca 0.10 1.23 0.00 0.00 0.00 0.00 0.00 54.97 56.30 1mp1 s GLU 63 Cb -0.07 -4.09 0.00 0.00 2.00 0.00 0.00 34.13 31.96 1mp1 s GLU 63 CO 0.05 -1.64 0.00 -0.25 -0.56 0.00 0.00 175.26 172.86 1mp1 n ASP 64 N 9.34 0.00 0.00 -1.70 8.00 -1.26 -5.05 116.55 125.89 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 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 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 -0.19 -2.24 9.92 -1.26 -4.85 116.55 117.93 1mp1 n ASP 65 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 1mp1 n ASP 65 Cb 0.00 0.31 0.02 0.00 -0.64 0.00 0.00 41.12 40.81 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 -0.22 2.53 3.04 -1.98 0.64 116.25 121.51 1mp1 h VAL 66 Ca 0.00 -0.91 -0.12 0.00 -1.01 0.00 0.00 66.70 64.66 1mp1 h VAL 66 Cb 0.00 0.78 -0.00 0.00 -2.01 0.00 0.00 31.29 30.06 1mp1 h VAL 66 CO 0.00 0.33 -0.33 -0.37 -1.01 0.00 0.00 177.57 176.19 1mp1 h VAL 67 N 0.79 1.32 -0.13 1.51 -1.51 -1.92 -1.73 116.25 114.59 1mp1 h VAL 67 Ca 0.17 -1.54 -0.00 0.00 -1.23 0.00 0.00 66.70 64.10 1mp1 h VAL 67 Cb 0.37 1.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.29 1mp1 h VAL 67 CO 0.01 0.48 0.07 0.40 -1.23 0.00 0.00 177.57 177.29 1mp1 h ILE 68 N 0.32 1.10 -0.84 7.19 2.04 -1.84 -1.95 117.51 123.52 1mp1 h ILE 68 Ca 0.02 -0.29 0.08 0.00 1.00 0.00 0.00 64.86 65.68 1mp1 h ILE 68 Cb 0.92 1.06 -0.07 0.00 -0.74 0.00 0.00 36.82 37.99 1mp1 h ILE 68 CO 0.08 0.09 0.50 -0.33 0.00 0.00 0.00 178.15 178.49 1mp1 h GLU 69 N 0.10 0.85 -0.42 2.37 5.08 0.31 0.83 114.58 123.70 1mp1 h GLU 69 Ca 0.04 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1mp1 h GLU 69 Cb 0.09 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1mp1 h GLU 69 CO -0.01 0.56 0.20 0.74 -1.00 0.00 0.00 179.01 179.50 1mp1 h PHE 70 N 0.87 0.36 -0.14 4.33 0.04 -0.87 2.01 116.94 123.54 1mp1 h PHE 70 Ca 0.39 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 61.07 1mp1 h PHE 70 Cb 0.28 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.33 1mp1 h PHE 70 CO -0.05 0.18 -0.33 0.82 -0.60 0.00 0.00 178.31 178.33 1mp1 h ILE 71 N 0.40 1.36 -0.08 -0.55 2.04 -0.56 0.49 117.51 120.62 1mp1 h ILE 71 Ca 0.18 -1.61 -0.00 0.00 1.00 0.00 0.00 64.86 64.43 1mp1 h ILE 71 Cb 0.11 2.04 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1mp1 h ILE 71 CO -0.14 0.48 0.03 0.15 0.00 0.00 0.00 178.15 178.68 1mp1 h PHE 72 N 0.08 0.11 -0.66 1.37 3.04 0.10 1.65 116.94 122.63 1mp1 h PHE 72 Ca -0.00 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.88 1mp1 h PHE 72 Cb 0.94 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.38 1mp1 h PHE 72 CO 0.10 0.20 0.18 -0.91 -2.02 0.00 0.00 178.31 175.87 1mp1 h ASN 73 N -0.01 0.97 -0.24 0.41 2.35 0.32 0.49 115.58 119.87 1mp1 h ASN 73 Ca 0.03 -0.19 -0.20 0.00 -0.55 0.00 0.00 56.30 55.39 1mp1 h ASN 73 Cb 0.14 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1mp1 h ASN 73 CO -0.00 0.92 -0.64 1.56 -1.65 0.00 0.00 177.43 177.62 1mp1 h GLN 74 N 0.99 0.85 0.00 0.81 7.50 -0.59 -2.69 115.11 121.98 1mp1 h GLN 74 Ca 0.21 -0.60 0.00 0.00 0.50 0.00 0.00 58.65 58.76 1mp1 h GLN 74 Cb 0.32 0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.95 1mp1 h GLN 74 CO -0.00 1.22 0.00 1.28 -1.50 0.00 0.00 178.83 179.83 1mp1 n LEU 75 N -3.98 0.00 0.00 1.46 4.77 0.56 -2.64 117.00 117.17 1mp1 n LEU 75 Ca -0.06 0.37 0.14 0.00 -0.03 0.00 0.00 56.01 56.44 1mp1 n LEU 75 Cb 0.68 -0.37 0.77 0.00 -2.33 0.00 0.00 43.42 42.17 1mp1 n LEU 75 CO 0.52 -0.03 1.00 -0.62 -1.33 0.00 0.00 177.39 176.93 1mp1 n GLU 76 N -1.37 0.61 -1.73 3.23 1.02 0.17 -4.79 120.64 117.77 1mp1 n GLU 76 Ca 0.10 0.01 -0.05 0.00 -0.02 0.00 0.00 57.16 57.21 1mp1 n GLU 76 Cb 0.25 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.18 1mp1 n GLU 76 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1mp1 n VAL 77 N -1.17 0.00 -0.01 2.62 0.24 -1.08 -5.04 118.33 113.89 1mp1 n VAL 77 Ca 0.17 -0.41 0.09 0.00 -2.04 0.00 0.00 64.34 62.15 1mp1 n VAL 77 Cb 0.17 -0.60 -0.15 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 -0.94 0.66 -3.48 7.34 4.01 -1.26 -4.46 118.16 120.02 1mp1 n LYS 78 Ca 0.01 -0.14 -0.29 0.00 -0.51 0.00 0.00 58.31 57.38 1mp1 n LYS 78 Cb 0.12 -1.55 -0.12 0.00 -0.51 0.00 0.00 35.03 32.96 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 -4.73 3.00 0.54 4.39 0.01 -1.26 -2.86 114.94 114.03 1mp1 s ASN 79 Ca -0.07 -2.24 -0.18 0.00 -0.71 0.00 0.00 52.86 49.66 1mp1 s ASN 79 Cb 0.13 -0.45 -0.06 0.00 0.41 0.00 0.00 41.25 41.27 1mp1 s ASN 79 CO 0.89 -0.30 1.04 -2.16 -1.51 0.00 0.00 177.10 175.06 1mp1 s PRO 80 N 0.99 3.57 -0.49 -0.60 0.04 -1.26 -5.01 135.00 132.25 1mp1 s PRO 80 Ca 0.18 1.25 -0.17 0.00 0.04 0.00 0.00 61.00 62.31 1mp1 s PRO 80 Cb -0.23 -2.07 0.07 0.00 0.04 0.00 0.00 34.50 32.32 1mp1 s PRO 80 CO 0.01 -0.61 0.48 0.34 0.04 0.00 0.00 177.00 177.25 1mp1 s ASP 81 N -2.46 6.17 0.35 6.66 2.15 -1.26 -4.86 116.67 123.42 1mp1 s ASP 81 Ca 0.65 -1.20 0.04 0.00 0.43 0.00 0.00 52.55 52.47 1mp1 s ASP 81 Cb -0.16 -2.22 0.63 0.00 -0.30 0.00 0.00 42.92 40.87 1mp1 s ASP 81 CO 0.29 -0.74 1.94 0.77 -0.17 0.00 0.00 175.17 177.26 1mp1 h SER 82 N 8.84 0.58 -0.07 -0.34 4.64 -1.95 0.06 113.55 125.32 1mp1 h SER 82 Ca -0.28 -0.07 0.01 0.00 -0.47 0.00 0.00 61.79 60.99 1mp1 h SER 82 Cb 1.10 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1mp1 h SER 82 CO 0.91 0.54 -0.02 0.11 -0.87 0.00 0.00 176.83 177.50 1mp1 h LYS 83 N 0.64 -0.01 -0.30 4.77 6.56 -1.91 0.11 116.57 126.43 1mp1 h LYS 83 Ca 0.15 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.66 1mp1 h LYS 83 Cb 0.15 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.80 1mp1 h LYS 83 CO -0.01 -0.01 -0.19 0.52 -2.06 0.00 0.00 179.45 177.70 1mp1 h MET 84 N -0.01 0.55 0.15 3.15 2.86 -1.86 -0.04 114.93 119.72 1mp1 h MET 84 Ca 0.03 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1mp1 h MET 84 Cb 0.06 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1mp1 h MET 84 CO -0.07 0.71 -0.07 1.98 1.06 0.00 0.00 176.91 180.52 1mp1 h MET 85 N 0.49 -0.19 -0.23 1.72 -1.53 -0.36 0.72 114.93 115.55 1mp1 h MET 85 Ca 0.08 0.01 -0.10 0.00 -3.44 0.00 0.00 59.70 56.25 1mp1 h MET 85 Cb 0.61 0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.69 1mp1 h MET 85 CO 0.04 -0.05 -0.28 0.37 0.14 0.00 0.00 176.91 177.13 1mp1 h GLN 86 N -0.30 0.45 -0.28 0.39 4.15 -0.72 0.23 115.11 119.03 1mp1 h GLN 86 Ca -0.02 -0.18 -0.15 0.00 0.77 0.00 0.00 58.65 59.07 1mp1 h GLN 86 Cb 0.24 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1mp1 h GLN 86 CO 0.03 0.70 -0.42 0.82 -1.93 0.00 0.00 178.83 178.03 1mp1 h ILE 87 N 0.39 1.29 -0.14 2.39 2.04 -0.74 -0.05 117.51 122.70 1mp1 h ILE 87 Ca 0.05 -1.60 -0.12 0.00 1.00 0.00 0.00 64.86 64.19 1mp1 h ILE 87 Cb 0.70 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1mp1 h ILE 87 CO 0.05 0.51 -0.39 0.78 0.00 0.00 0.00 178.15 179.10 1mp1 h ASN 88 N 0.56 0.59 -0.50 1.72 2.35 0.80 -2.92 115.58 118.19 1mp1 h ASN 88 Ca 0.04 -0.59 0.01 0.00 -0.55 0.00 0.00 56.30 55.21 1mp1 h ASN 88 Cb 0.96 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.13 1mp1 h ASN 88 CO 0.09 1.07 0.32 -0.07 -1.65 0.00 0.00 177.43 177.19 1mp1 h LEU 89 N 0.13 0.54 -2.57 1.61 3.38 -0.48 0.17 115.31 118.10 1mp1 h LEU 89 Ca -0.01 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1mp1 h LEU 89 Cb 1.01 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1mp1 h LEU 89 CO 0.08 0.39 0.09 0.74 0.09 0.00 0.00 178.44 179.83 1mp1 h THR 90 N 0.64 0.22 0.00 0.22 2.02 -0.98 1.62 112.91 116.66 1mp1 h THR 90 Ca 0.19 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.37 1mp1 h THR 90 Cb -0.04 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1mp1 h THR 90 CO -0.06 0.00 0.00 1.23 0.37 0.00 0.00 175.52 177.06 1mp1 h GLY 91 N 0.00 0.00 0.00 2.16 0.00 -0.75 -3.36 103.07 101.12 1mp1 h GLY 91 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1mp1 h GLY 91 CO -0.00 0.00 -0.80 0.69 0.00 0.00 0.00 176.54 176.43 1mp1 n PHE 92 N -2.43 0.00 -0.12 5.60 3.01 0.11 -5.08 117.46 118.55 1mp1 n PHE 92 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1mp1 n PHE 92 Cb 0.28 0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 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 -2.81 0.00 0.02 4.37 4.77 0.51 -4.93 117.00 118.93 1mp1 n LEU 93 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1mp1 n LEU 93 Cb 0.40 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1mp1 n LEU 93 CO 0.00 -0.81 0.12 0.59 -1.33 0.00 0.00 177.39 175.96 1mp1 n ASN 94 N -1.49 0.65 0.00 -1.43 3.02 -1.26 -4.80 115.26 109.94 1mp1 n ASN 94 Ca 0.00 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.22 1mp1 n ASN 94 Cb 0.00 0.67 0.00 0.00 -0.61 0.00 0.00 39.78 39.84 1mp1 n ASN 94 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mp1 n GLY 95 N 1.42 2.95 0.29 7.41 0.00 -1.26 -4.80 105.19 111.21 1mp1 n GLY 95 Ca 0.03 -0.80 -0.03 0.00 0.00 0.00 0.00 46.02 45.22 1mp1 n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mp1 h LYS 96 N 0.00 0.79 -0.12 1.61 6.56 -1.98 -1.53 116.57 121.89 1mp1 h LYS 96 Ca 0.00 -0.18 -0.06 0.00 -1.06 0.00 0.00 60.65 59.35 1mp1 h LYS 96 Cb 0.00 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.54 1mp1 h LYS 96 CO 0.00 0.75 -0.20 -0.91 -2.06 0.00 0.00 179.45 177.03 1mp1 h ASN 97 N 0.75 0.20 -0.72 0.86 -0.26 -1.97 -1.19 115.58 113.24 1mp1 h ASN 97 Ca 0.16 -0.05 -0.07 0.00 -0.56 0.00 0.00 56.30 55.78 1mp1 h ASN 97 Cb 0.37 -0.05 -0.03 0.00 -1.06 0.00 0.00 38.32 37.54 1mp1 h ASN 97 CO 0.01 0.41 0.19 0.00 -1.06 0.00 0.00 177.43 176.98 1mp1 h ALA 98 N 1.61 0.95 -0.41 -0.83 0.00 -1.64 1.25 119.26 120.18 1mp1 h ALA 98 Ca 0.03 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1mp1 h ALA 98 Cb 0.47 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1mp1 h ALA 98 CO 0.03 0.66 -0.30 0.00 0.00 0.00 0.00 179.25 179.65 1mp1 h ARG 99 N 1.08 0.92 -0.11 0.00 3.08 -1.01 -0.63 114.38 117.71 1mp1 h ARG 99 Ca 0.23 -0.45 -0.21 0.00 0.07 0.00 0.00 59.98 59.62 1mp1 h ARG 99 Cb 0.36 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1mp1 h ARG 99 CO 0.00 1.10 -0.78 0.93 -1.07 0.00 0.00 179.97 180.16 1mp1 h GLU 100 N 0.75 0.63 -0.01 0.04 5.08 -0.91 -1.57 114.58 118.59 1mp1 h GLU 100 Ca 0.08 -0.53 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1mp1 h GLU 100 Cb 0.88 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1mp1 h GLU 100 CO 0.08 1.15 0.00 0.35 -1.00 0.00 0.00 179.01 179.59 1mp1 h PHE 101 N 0.43 0.01 -0.22 4.33 3.04 0.16 -2.69 116.94 122.00 1mp1 h PHE 101 Ca -0.05 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.83 1mp1 h PHE 101 Cb 1.39 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.88 1mp1 h PHE 101 CO 0.07 0.19 -0.18 0.52 -2.02 0.00 0.00 178.31 176.88 1mp1 h MET 102 N -0.17 0.38 -0.17 1.11 2.86 -1.16 -0.65 114.93 117.12 1mp1 h MET 102 Ca 0.00 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1mp1 h MET 102 Cb 0.18 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1mp1 h MET 102 CO -0.00 0.56 0.00 0.41 1.06 0.00 0.00 176.91 178.94 1mp1 n GLY 103 N -0.61 -0.51 0.00 8.32 0.00 -0.59 -0.12 105.19 111.67 1mp1 n GLY 103 Ca -0.00 0.00 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 -0.40 2.46 -0.08 1.61 1.02 -0.63 -4.62 120.64 120.00 1mp1 n GLU 104 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 1mp1 n GLU 104 Cb 0.04 -0.81 -0.13 0.00 -0.02 0.00 0.00 31.44 30.52 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 -1.37 2.34 -0.24 -4.62 -0.00 -0.35 -2.98 117.00 109.78 1mp1 n LEU 105 Ca 0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 56.01 55.98 1mp1 n LEU 105 Cb 0.28 -0.70 0.06 0.00 -0.00 0.00 0.00 43.42 43.06 1mp1 n LEU 105 CO 0.00 0.82 1.15 -0.25 -0.00 0.00 0.00 177.39 179.11 1mp1 h TRP 106 N 0.02 0.82 0.00 1.96 2.91 -0.74 -1.36 115.95 119.56 1mp1 h TRP 106 Ca -0.51 0.02 -0.13 0.00 1.13 0.00 0.00 58.89 59.40 1mp1 h TRP 106 Cb 1.99 -0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 30.35 1mp1 h TRP 106 CO 0.04 0.49 -0.60 -1.00 -1.03 0.00 0.00 178.44 176.34 1mp1 h PRO 107 N 0.87 0.00 -0.72 2.65 0.13 -1.74 -2.84 132.00 130.36 1mp1 h PRO 107 Ca 0.26 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.42 1mp1 h PRO 107 Cb -0.04 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.05 1mp1 h PRO 107 CO -0.08 0.60 0.45 1.25 -0.23 0.00 0.00 178.00 179.99 1mp1 h LEU 108 N 0.00 0.75 -0.64 1.56 5.85 -1.17 -1.01 115.31 120.64 1mp1 h LEU 108 Ca -0.01 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 1mp1 h LEU 108 Cb 1.22 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1mp1 h LEU 108 CO 0.08 0.52 -0.60 -0.07 -0.34 0.00 0.00 178.44 178.02 1mp1 h LEU 109 N 0.89 0.29 -0.74 2.25 3.38 -1.32 -1.40 115.31 118.66 1mp1 h LEU 109 Ca 0.29 -0.17 0.11 0.00 0.09 0.00 0.00 57.88 58.20 1mp1 h LEU 109 Cb 0.01 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.60 1mp1 h LEU 109 CO -0.11 0.82 0.36 -0.07 0.09 0.00 0.00 178.44 179.54 1mp1 h LEU 110 N 0.19 0.45 -0.03 1.67 4.07 -0.96 0.93 115.31 121.62 1mp1 h LEU 110 Ca -0.01 0.07 -0.23 0.00 0.08 0.00 0.00 57.88 57.79 1mp1 h LEU 110 Cb 1.11 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.84 1mp1 h LEU 110 CO 0.09 0.23 -1.06 -1.28 -1.08 0.00 0.00 178.44 175.35 1mp1 h SER 111 N 0.58 0.26 -0.25 -0.43 0.87 -1.24 -3.22 113.55 110.13 1mp1 h SER 111 Ca 0.38 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1mp1 h SER 111 Cb 0.45 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1mp1 h SER 111 CO -0.30 1.15 0.10 0.00 -0.53 0.00 0.00 176.83 177.25 1mp1 h ALA 112 N 0.81 0.32 0.00 6.23 0.00 0.05 -0.93 119.26 125.75 1mp1 h ALA 112 Ca -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1mp1 h ALA 112 Cb 1.77 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1mp1 h ALA 112 CO 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1mp1 n GLN 113 N -4.79 0.09 0.00 0.00 10.64 0.31 0.27 117.38 123.90 1mp1 n GLN 113 Ca -0.03 0.54 0.12 0.00 -1.83 0.00 0.00 57.00 55.81 1mp1 n GLN 113 Cb 0.12 -1.78 0.27 0.00 -0.86 0.00 0.00 30.24 27.99 1mp1 n GLN 113 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1mp1 n GLU 114 N -1.97 0.75 -0.32 2.61 1.02 -0.37 -4.83 120.64 117.52 1mp1 n GLU 114 Ca -0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 57.16 56.64 1mp1 n GLU 114 Cb 0.06 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1mp1 n GLU 114 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1mp1 n ASN 115 N -0.69 0.00 -0.06 1.62 3.02 0.14 -5.07 115.26 114.22 1mp1 n ASN 115 Ca 0.10 -0.49 -0.11 0.00 -0.03 0.00 0.00 54.58 54.05 1mp1 n ASN 115 Cb 0.37 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.48 1mp1 n ASN 115 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mp1 n ILE 116 N -0.67 0.72 1.66 2.41 0.00 -1.26 -4.49 119.36 117.73 1mp1 n ILE 116 Ca 0.00 -0.24 0.14 0.00 0.00 0.00 0.00 62.75 62.64 1mp1 n ILE 116 Cb 0.00 -1.20 0.64 0.00 0.00 0.00 0.00 39.64 39.08 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 -3.12 2.61 -2.78 1.51 0.00 -1.26 -4.89 120.51 112.57 1mp1 n ALA 117 Ca -0.24 -0.35 -0.10 0.00 0.00 0.00 0.00 53.44 52.75 1mp1 n ALA 117 Cb 0.72 -1.28 0.03 0.00 0.00 0.00 0.00 19.45 18.92 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 1.08 0.21 3.39 0.00 0.00 -1.26 -4.34 105.19 104.28 1mp1 n GLY 118 Ca 0.20 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.97 2.61 0.63 -0.61 1.09 -1.25 0.50 121.20 121.21 1mp1 s ILE 119 Ca 0.19 -0.89 -0.14 0.00 -1.10 0.00 0.00 60.65 58.72 1mp1 s ILE 119 Cb -0.09 -1.99 -0.02 0.00 -1.06 0.00 0.00 42.46 39.31 1mp1 s ILE 119 CO 0.24 0.58 1.05 -2.16 -0.10 0.00 0.00 174.94 174.55 1mp1 s PRO 120 N -0.51 3.19 0.37 2.79 0.04 -1.26 -4.29 135.00 135.33 1mp1 s PRO 120 Ca 0.07 1.08 0.27 0.00 0.04 0.00 0.00 61.00 62.45 1mp1 s PRO 120 Cb -0.11 -2.02 1.27 0.00 0.04 0.00 0.00 34.50 33.68 1mp1 s PRO 120 CO 0.01 -0.90 1.81 0.66 0.04 0.00 0.00 177.00 178.61 1mp1 h SER 121 N -0.04 0.00 -0.18 6.66 4.64 -1.87 -1.78 113.55 120.98 1mp1 h SER 121 Ca -0.45 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.91 1mp1 h SER 121 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1mp1 h SER 121 CO 0.57 0.00 0.13 0.00 -0.87 0.00 0.00 176.83 176.66 1mp1 h ALA 122 N 2.11 2.12 0.01 5.18 0.00 -1.94 -0.83 119.26 125.91 1mp1 h ALA 122 Ca 0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 54.52 1mp1 h ALA 122 Cb 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1mp1 h ALA 122 CO 0.00 -0.17 -2.41 1.19 0.00 0.00 0.00 179.25 177.86 1mp1 n PHE 123 N -4.49 0.16 0.07 0.00 3.72 -0.70 -3.80 117.46 112.42 1mp1 n PHE 123 Ca 0.01 0.03 -0.05 0.00 -0.05 0.00 0.00 57.45 57.39 1mp1 n PHE 123 Cb 0.24 -1.02 -0.03 0.00 -0.94 0.00 0.00 39.48 37.73 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 0.01 -0.44 -0.28 4.37 3.38 -1.17 -0.08 115.31 121.11 1mp1 h LEU 124 Ca -0.56 0.04 0.07 0.00 0.09 0.00 0.00 57.88 57.52 1mp1 h LEU 124 Cb 1.94 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 42.76 1mp1 h LEU 124 CO -0.06 -0.19 -0.27 -0.08 0.09 0.00 0.00 178.44 177.94 1mp1 h GLU 125 N -0.28 -0.25 -0.95 1.13 4.57 -1.41 -1.70 114.58 115.69 1mp1 h GLU 125 Ca -0.01 0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.30 1mp1 h GLU 125 Cb 0.25 0.06 -0.13 0.00 -0.16 0.00 0.00 28.75 28.76 1mp1 h GLU 125 CO -0.04 -0.17 -0.50 -0.07 -1.18 0.00 0.00 179.01 177.06 1mp1 h LEU 126 N -0.26 -1.81 0.00 1.64 3.38 -1.61 -3.42 115.31 113.23 1mp1 h LEU 126 Ca 0.15 0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1mp1 h LEU 126 Cb 0.49 0.85 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1mp1 h LEU 126 CO -0.42 -0.27 0.00 0.29 0.09 0.00 0.00 178.44 178.13 1mp1 n LYS 127 N -5.36 0.00 -1.61 1.13 4.76 -0.06 -4.85 118.16 112.17 1mp1 n LYS 127 Ca 0.05 0.00 -0.47 0.00 -2.87 0.00 0.00 58.31 55.03 1mp1 n LYS 127 Cb 0.33 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.49 1mp1 n LYS 127 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1mp1 n LYS 128 N 0.00 1.51 -3.44 1.97 5.02 -1.26 -4.95 118.16 117.01 1mp1 n LYS 128 Ca 0.00 0.54 -0.28 0.00 -2.02 0.00 0.00 58.31 56.55 1mp1 n LYS 128 Cb 0.00 -2.07 -0.11 0.00 -0.02 0.00 0.00 35.03 32.83 1mp1 n LYS 128 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1mp1 s GLU 129 N -0.64 0.62 0.29 1.97 2.56 -1.26 -5.12 118.70 117.12 1mp1 s GLU 129 Ca 0.68 -1.48 -0.29 0.00 0.00 0.00 0.00 54.97 53.88 1mp1 s GLU 129 Cb -0.75 -1.30 -0.10 0.00 2.00 0.00 0.00 34.13 33.98 1mp1 s GLU 129 CO 0.53 -1.25 1.36 -1.83 -0.56 0.00 0.00 175.26 173.51 1mp1 s GLU 130 N 0.87 4.32 -0.30 4.30 -1.05 -1.26 -5.00 118.70 120.57 1mp1 s GLU 130 Ca 0.21 2.24 0.02 0.00 -0.15 0.00 0.00 54.97 57.29 1mp1 s GLU 130 Cb -0.17 -3.10 0.07 0.00 -0.44 0.00 0.00 34.13 30.50 1mp1 s GLU 130 CO -0.04 -0.30 -0.02 0.42 0.95 0.00 0.00 175.26 176.27 1mp1 s ILE 131 N -0.56 2.44 0.60 1.83 -1.09 -1.26 -5.10 121.20 118.07 1mp1 s ILE 131 Ca 0.54 -1.81 -0.18 0.00 -2.23 0.00 0.00 60.65 56.97 1mp1 s ILE 131 Cb -0.40 -2.55 -0.06 0.00 -1.58 0.00 0.00 42.46 37.87 1mp1 s ILE 131 CO 0.48 -0.24 0.84 1.17 -1.23 0.00 0.00 174.94 175.96 1mp1 n LYS 132 N 4.43 0.77 -3.33 2.79 4.81 -1.26 -4.97 118.16 121.40 1mp1 n LYS 132 Ca -0.08 0.30 -0.29 0.00 -0.87 0.00 0.00 58.31 57.36 1mp1 n LYS 132 Cb 0.42 -2.04 -0.04 0.00 0.02 0.00 0.00 35.03 33.40 1mp1 n LYS 132 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1mp1 s GLN 133 N -2.60 3.67 0.00 1.64 0.74 -1.26 -5.34 119.66 116.51 1mp1 s GLN 133 Ca 0.74 0.08 0.00 0.00 0.05 0.00 0.00 55.36 56.23 1mp1 s GLN 133 Cb -0.42 -2.63 0.00 0.00 1.10 0.00 0.00 33.01 31.05 1mp1 s GLN 133 CO 0.49 0.22 0.30 -2.13 -0.55 0.00 0.00 175.29 173.61