#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 0.66 8.25 -1.26 -4.37 115.22 118.51 1mp1 n HIS 25 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1mp1 n HIS 25 Cb 0.00 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 30.99 1mp1 n HIS 25 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mp1 n MET 26 N -1.12 0.00 -0.13 -0.41 3.85 -1.26 -5.08 117.12 112.97 1mp1 n MET 26 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.70 56.86 1mp1 n MET 26 Cb 0.13 -0.01 0.00 0.00 -1.05 0.00 0.00 33.22 32.29 1mp1 n MET 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1mp1 n GLN 27 N -2.57 0.00 -1.97 3.17 6.02 -1.26 -5.14 117.38 115.63 1mp1 n GLN 27 Ca 0.00 0.13 -0.01 0.00 -0.01 0.00 0.00 57.00 57.12 1mp1 n GLN 27 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1mp1 n GLN 27 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1mp1 n LEU 28 N -0.17 0.00 -4.93 1.08 -0.00 -1.26 -5.04 117.00 106.68 1mp1 n LEU 28 Ca 0.00 -0.33 -0.26 0.00 -0.00 0.00 0.00 56.01 55.43 1mp1 n LEU 28 Cb 0.00 0.62 -0.02 0.00 -0.00 0.00 0.00 43.42 44.02 1mp1 n LEU 28 CO 0.00 -0.11 0.13 -0.75 -0.00 0.00 0.00 177.39 176.66 1mp1 s LYS 29 N -2.01 3.53 0.00 1.47 2.20 -1.26 -4.90 119.74 118.77 1mp1 s LYS 29 Ca 0.05 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 1mp1 s LYS 29 Cb -0.01 -2.72 0.00 0.00 -1.51 0.00 0.00 37.83 33.59 1mp1 s LYS 29 CO 0.01 0.25 0.00 1.97 -0.36 0.00 0.00 175.35 177.22 1mp1 n PHE 30 N -1.24 0.00 -1.06 4.03 -1.74 -1.26 -4.89 117.46 111.30 1mp1 n PHE 30 Ca -0.04 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.85 1mp1 n PHE 30 Cb 0.55 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.55 1mp1 n PHE 30 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1mp1 n ALA 31 N -3.00 0.00 -0.08 1.98 0.00 -1.26 -5.05 120.51 113.10 1mp1 n ALA 31 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1mp1 n ALA 31 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1mp1 n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1mp1 n GLU 32 N -0.60 0.39 0.10 0.00 -0.58 -1.26 -4.41 120.64 114.29 1mp1 n GLU 32 Ca 0.00 0.11 0.20 0.00 -0.42 0.00 0.00 57.16 57.04 1mp1 n GLU 32 Cb 0.00 -1.27 0.67 0.00 -0.57 0.00 0.00 31.44 30.27 1mp1 n GLU 32 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1mp1 n LEU 34 N -3.39 0.54 -1.06 0.00 4.77 -1.26 -0.07 117.00 116.53 1mp1 n LEU 34 Ca 0.08 0.74 0.04 0.00 -0.03 0.00 0.00 56.01 56.84 1mp1 n LEU 34 Cb 0.75 -0.80 0.19 0.00 -2.33 0.00 0.00 43.42 41.23 1mp1 n LEU 34 CO 0.22 -0.91 0.59 -0.62 -1.33 0.00 0.00 177.39 175.34 1mp1 n GLU 35 N -2.22 2.66 0.03 3.23 1.02 0.58 -3.65 120.64 122.28 1mp1 n GLU 35 Ca -0.01 -1.53 0.12 0.00 -0.02 0.00 0.00 57.16 55.73 1mp1 n GLU 35 Cb 0.05 -1.71 0.29 0.00 -0.02 0.00 0.00 31.44 30.04 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 0.40 0.11 -1.34 3.49 4.76 0.90 -5.05 118.16 121.43 1mp1 n LYS 36 Ca 0.14 0.04 0.16 0.00 -2.87 0.00 0.00 58.31 55.78 1mp1 n LYS 36 Cb 0.61 -1.58 -0.06 0.00 -1.84 0.00 0.00 35.03 32.16 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 -1.75 -2.78 -3.63 1.97 4.01 -1.24 -5.01 118.16 109.74 1mp1 n LYS 37 Ca 0.05 2.10 -0.14 0.00 -0.51 0.00 0.00 58.31 59.81 1mp1 n LYS 37 Cb 0.38 -3.38 -0.06 0.00 -0.51 0.00 0.00 35.03 31.45 1mp1 n LYS 37 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1mp1 s VAL 38 N -3.37 0.04 -0.38 -0.18 -7.23 -1.26 -4.84 120.40 103.17 1mp1 s VAL 38 Ca 0.00 -0.32 0.02 0.00 -1.81 0.00 0.00 61.98 59.87 1mp1 s VAL 38 Cb 0.00 -0.90 0.11 0.00 0.56 0.00 0.00 36.38 36.15 1mp1 s VAL 38 CO 0.00 -0.18 0.13 1.51 -0.31 0.00 0.00 175.10 176.25 1mp1 s ASP 39 N -1.71 4.31 0.60 4.85 -4.77 -1.26 -4.44 116.67 114.24 1mp1 s ASP 39 Ca -0.08 -2.27 0.38 0.00 -3.30 0.00 0.00 52.55 47.28 1mp1 s ASP 39 Cb -0.02 -1.34 1.85 0.00 -1.09 0.00 0.00 42.92 42.32 1mp1 s ASP 39 CO 0.01 -0.34 2.17 0.24 0.70 0.00 0.00 175.17 177.95 1mp1 h MET 40 N 7.37 0.00 0.00 2.11 2.86 -1.71 -0.02 114.93 125.54 1mp1 h MET 40 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1mp1 h MET 40 Cb 0.98 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.64 1mp1 h MET 40 CO 0.53 0.01 0.00 0.45 1.06 0.00 0.00 176.91 178.97 1mp1 n SER 41 N -3.15 0.00 -0.01 1.22 2.88 -1.26 -3.15 113.62 110.14 1mp1 n SER 41 Ca -0.01 0.21 -0.02 0.00 -1.33 0.00 0.00 58.87 57.72 1mp1 n SER 41 Cb 0.20 -0.37 -0.02 0.00 -0.75 0.00 0.00 64.21 63.27 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 -1.37 1.22 -4.11 -1.46 4.76 -0.24 -5.04 118.16 111.92 1mp1 n LYS 42 Ca 0.07 0.01 -0.30 0.00 -2.87 0.00 0.00 58.31 55.23 1mp1 n LYS 42 Cb 0.18 -1.06 -0.07 0.00 -1.84 0.00 0.00 35.03 32.24 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 4.15 -0.22 -0.18 0.11 -0.19 -3.95 120.40 118.06 1mp1 s VAL 43 Ca -0.03 -0.97 -0.20 0.00 -2.93 0.00 0.00 61.98 57.84 1mp1 s VAL 43 Cb 0.01 -3.00 -0.02 0.00 -1.53 0.00 0.00 36.38 31.84 1mp1 s VAL 43 CO 0.08 0.09 0.62 0.20 -3.33 0.00 0.00 175.10 172.76 1mp1 s ASN 44 N -2.42 6.64 0.29 3.54 -0.87 0.12 -4.38 114.94 117.85 1mp1 s ASN 44 Ca 0.27 0.78 0.23 0.00 -1.57 0.00 0.00 52.86 52.56 1mp1 s ASN 44 Cb -0.12 -2.34 0.13 0.00 -0.02 0.00 0.00 41.25 38.90 1mp1 s ASN 44 CO 0.20 -0.30 1.25 0.17 -2.57 0.00 0.00 177.10 175.85 1mp1 h LEU 45 N 8.44 0.00 -1.00 0.60 -0.00 -1.84 -3.31 115.31 118.20 1mp1 h LEU 45 Ca -0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.56 1mp1 h LEU 45 Cb 1.14 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.76 1mp1 h LEU 45 CO 0.77 0.00 0.40 -0.33 -0.00 0.00 0.00 178.44 179.29 1mp1 h GLU 46 N 0.00 1.11 0.00 0.17 4.39 -1.93 0.15 114.58 118.47 1mp1 h GLU 46 Ca -0.00 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1mp1 h GLU 46 Cb 1.00 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1mp1 h GLU 46 CO 0.00 0.84 0.00 1.33 -1.16 0.00 0.00 179.01 180.02 1mp1 n VAL 47 N -4.33 0.21 0.30 3.13 0.24 -1.24 -1.46 118.33 115.17 1mp1 n VAL 47 Ca 0.08 0.05 0.04 0.00 -2.04 0.00 0.00 64.34 62.47 1mp1 n VAL 47 Cb 0.12 -0.71 0.04 0.00 -1.47 0.00 0.00 33.84 31.81 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 -1.16 0.05 -0.08 1.34 2.08 0.39 -4.45 119.36 117.54 1mp1 n ILE 48 Ca 0.13 -0.52 -0.14 0.00 0.56 0.00 0.00 62.75 62.77 1mp1 n ILE 48 Cb 0.12 1.13 -0.05 0.00 -0.75 0.00 0.00 39.64 40.09 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 1.50 0.69 0.00 0.38 1.79 -0.01 0.13 116.57 121.05 1mp1 h LYS 49 Ca 0.00 -0.41 -0.13 0.00 -2.18 0.00 0.00 60.65 57.93 1mp1 h LYS 49 Cb 0.34 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 1mp1 h LYS 49 CO 0.00 1.03 -0.63 -1.00 -1.08 0.00 0.00 179.45 177.76 1mp1 h PRO 50 N 0.41 0.00 -0.07 3.15 0.13 -1.80 0.50 132.00 134.32 1mp1 h PRO 50 Ca 0.03 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.95 1mp1 h PRO 50 Cb 0.96 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.10 1mp1 h PRO 50 CO 0.09 0.63 -0.78 2.35 -0.23 0.00 0.00 178.00 180.06 1mp1 h TRP 51 N 0.00 0.91 0.04 1.56 7.01 -1.76 0.88 115.95 124.61 1mp1 h TRP 51 Ca -0.01 -0.45 -0.00 0.00 2.11 0.00 0.00 58.89 60.54 1mp1 h TRP 51 Cb 1.24 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 28.18 1mp1 h TRP 51 CO 0.00 1.27 -0.02 0.82 -2.79 0.00 0.00 178.44 177.72 1mp1 h ILE 52 N 0.30 1.34 -0.88 2.65 2.04 -0.68 0.24 117.51 122.52 1mp1 h ILE 52 Ca -0.08 -1.47 0.04 0.00 1.00 0.00 0.00 64.86 64.36 1mp1 h ILE 52 Cb 1.43 2.28 -0.05 0.00 -0.74 0.00 0.00 36.82 39.74 1mp1 h ILE 52 CO 0.16 0.36 0.58 0.74 0.00 0.00 0.00 178.15 179.98 1mp1 h THR 53 N -0.73 1.13 -0.08 -0.27 2.02 -0.09 0.90 112.91 115.79 1mp1 h THR 53 Ca -0.01 -0.37 -0.22 0.00 0.77 0.00 0.00 66.41 66.59 1mp1 h THR 53 Cb 0.63 -0.04 0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1mp1 h THR 53 CO 0.01 0.20 -0.83 0.50 0.37 0.00 0.00 175.52 175.77 1mp1 h LYS 54 N 1.08 0.58 0.02 6.66 3.64 -0.84 -0.69 116.57 127.02 1mp1 h LYS 54 Ca 0.36 -0.52 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1mp1 h LYS 54 Cb 0.07 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1mp1 h LYS 54 CO -0.11 1.14 -0.01 0.00 -2.27 0.00 0.00 179.45 178.20 1mp1 h ARG 55 N 0.37 -0.03 -0.64 1.90 2.47 0.60 0.28 114.38 119.33 1mp1 h ARG 55 Ca -0.06 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 1mp1 h ARG 55 Cb 1.44 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.74 1mp1 h ARG 55 CO 0.15 0.34 0.35 -0.39 0.56 0.00 0.00 179.97 180.98 1mp1 h VAL 56 N -0.40 1.20 -0.57 2.04 -1.51 0.73 0.84 116.25 118.59 1mp1 h VAL 56 Ca -0.00 -0.51 -0.04 0.00 -1.23 0.00 0.00 66.70 64.92 1mp1 h VAL 56 Cb 0.38 0.38 -0.02 0.00 -2.13 0.00 0.00 31.29 29.90 1mp1 h VAL 56 CO 0.00 0.22 0.20 0.74 -1.23 0.00 0.00 177.57 177.51 1mp1 h THR 57 N 0.87 1.23 0.00 7.19 2.02 -1.06 -2.36 112.91 120.80 1mp1 h THR 57 Ca 0.22 -0.76 -0.12 0.00 0.77 0.00 0.00 66.41 66.52 1mp1 h THR 57 Cb 0.04 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1mp1 h THR 57 CO -0.04 0.29 -0.55 -0.33 0.37 0.00 0.00 175.52 175.26 1mp1 h GLU 58 N 0.79 0.00 -0.38 6.66 5.08 0.05 2.82 114.58 129.59 1mp1 h GLU 58 Ca 0.19 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1mp1 h GLU 58 Cb 0.25 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1mp1 h GLU 58 CO -0.01 0.55 0.14 0.82 -1.00 0.00 0.00 179.01 179.51 1mp1 h ILE 59 N 0.00 0.89 0.01 3.13 2.04 0.12 -3.29 117.51 120.41 1mp1 h ILE 59 Ca -0.01 -0.10 -0.42 0.00 1.00 0.00 0.00 64.86 65.33 1mp1 h ILE 59 Cb 1.06 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.64 1mp1 h ILE 59 CO 0.07 0.05 -2.40 0.00 0.00 0.00 0.00 178.15 175.88 1mp1 n LEU 60 N -5.01 2.26 0.00 1.44 -0.00 -1.06 -5.00 117.00 109.63 1mp1 n LEU 60 Ca 0.02 0.21 0.00 0.00 -0.00 0.00 0.00 56.01 56.24 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 0.66 0.00 0.61 -0.00 0.00 0.00 177.39 178.93 1mp1 n GLY 61 N 1.57 1.09 3.26 1.47 0.00 0.93 -5.10 105.19 108.41 1mp1 n GLY 61 Ca -0.50 0.00 -0.21 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 -1.30 1.55 -0.30 1.61 -0.12 -0.57 -4.84 117.98 114.01 1mp1 s PHE 62 Ca 0.00 -0.48 -0.28 0.00 -0.05 0.00 0.00 56.93 56.12 1mp1 s PHE 62 Cb 0.00 -0.83 -0.02 0.00 -0.63 0.00 0.00 43.02 41.54 1mp1 s PHE 62 CO 0.00 0.18 1.83 -2.00 -0.05 0.00 0.00 175.22 175.18 1mp1 s GLU 63 N -2.26 3.36 0.01 1.99 2.12 -1.26 -4.14 118.70 118.53 1mp1 s GLU 63 Ca 0.07 1.53 -0.00 0.00 0.36 0.00 0.00 54.97 56.93 1mp1 s GLU 63 Cb -0.08 -4.20 0.00 0.00 0.26 0.00 0.00 34.13 30.11 1mp1 s GLU 63 CO 0.04 -1.82 0.01 -0.25 -0.54 0.00 0.00 175.26 172.70 1mp1 n ASP 64 N 10.24 -0.35 0.00 -1.70 8.00 -1.26 -5.03 116.55 126.44 1mp1 n ASP 64 Ca 0.23 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.90 1mp1 n ASP 64 Cb 0.46 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 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 -3.01 0.00 -0.17 -2.24 8.00 -1.26 -4.77 116.55 113.10 1mp1 n ASP 65 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 1mp1 n ASP 65 Cb 0.01 0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1mp1 n ASP 65 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1mp1 h VAL 66 N 0.00 1.24 -0.20 2.53 3.04 -1.98 0.63 116.25 121.51 1mp1 h VAL 66 Ca 0.00 -0.86 -0.13 0.00 -1.01 0.00 0.00 66.70 64.69 1mp1 h VAL 66 Cb 0.00 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 30.16 1mp1 h VAL 66 CO 0.00 0.31 -0.39 -0.37 -1.01 0.00 0.00 177.57 176.11 1mp1 h VAL 67 N 0.66 1.33 -0.18 1.51 -1.51 -1.91 -1.84 116.25 114.30 1mp1 h VAL 67 Ca 0.15 -1.62 -0.00 0.00 -1.23 0.00 0.00 66.70 64.00 1mp1 h VAL 67 Cb 0.35 1.86 -0.01 0.00 -2.13 0.00 0.00 31.29 31.36 1mp1 h VAL 67 CO 0.00 0.50 0.11 0.40 -1.23 0.00 0.00 177.57 177.35 1mp1 h ILE 68 N 0.29 1.08 -0.79 7.19 2.04 -1.82 -1.85 117.51 123.65 1mp1 h ILE 68 Ca 0.01 -0.21 0.06 0.00 1.00 0.00 0.00 64.86 65.72 1mp1 h ILE 68 Cb 0.99 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.90 1mp1 h ILE 68 CO 0.09 0.08 0.47 -0.33 0.00 0.00 0.00 178.15 178.46 1mp1 h GLU 69 N 0.21 0.84 -0.49 2.37 5.08 0.28 0.61 114.58 123.48 1mp1 h GLU 69 Ca 0.07 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1mp1 h GLU 69 Cb 0.03 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.05 1mp1 h GLU 69 CO -0.01 0.55 0.23 0.74 -1.00 0.00 0.00 179.01 179.52 1mp1 h PHE 70 N 0.86 0.42 -0.05 4.33 0.04 -0.84 1.86 116.94 123.57 1mp1 h PHE 70 Ca 0.35 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 61.11 1mp1 h PHE 70 Cb 0.19 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 1mp1 h PHE 70 CO -0.05 0.20 -0.08 0.82 -0.60 0.00 0.00 178.31 178.60 1mp1 h ILE 71 N 0.46 1.41 -0.07 -0.55 2.04 -0.53 0.77 117.51 121.03 1mp1 h ILE 71 Ca 0.22 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.75 1mp1 h ILE 71 Cb 0.15 2.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1mp1 h ILE 71 CO -0.17 0.37 0.04 0.15 0.00 0.00 0.00 178.15 178.54 1mp1 h PHE 72 N -0.35 0.08 -0.81 1.37 3.04 0.52 2.06 116.94 122.86 1mp1 h PHE 72 Ca 0.00 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 1mp1 h PHE 72 Cb 0.63 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 39.08 1mp1 h PHE 72 CO 0.11 0.05 0.34 -0.91 -2.02 0.00 0.00 178.31 175.88 1mp1 h ASN 73 N 0.09 1.11 -0.17 0.41 2.35 0.29 0.46 115.58 120.11 1mp1 h ASN 73 Ca 0.03 -0.16 -0.19 0.00 -0.55 0.00 0.00 56.30 55.42 1mp1 h ASN 73 Cb -0.01 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.08 1mp1 h ASN 73 CO -0.01 0.97 -0.61 1.56 -1.65 0.00 0.00 177.43 177.68 1mp1 h GLN 74 N 1.18 0.79 0.00 0.81 7.50 -0.36 -2.59 115.11 122.43 1mp1 h GLN 74 Ca 0.27 -0.54 0.00 0.00 0.50 0.00 0.00 58.65 58.89 1mp1 h GLN 74 Cb 0.19 0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.80 1mp1 h GLN 74 CO -0.03 1.16 0.00 1.28 -1.50 0.00 0.00 178.83 179.75 1mp1 n LEU 75 N -3.97 0.00 -0.03 1.46 4.77 0.69 -2.67 117.00 117.25 1mp1 n LEU 75 Ca -0.05 0.28 0.16 0.00 -0.03 0.00 0.00 56.01 56.36 1mp1 n LEU 75 Cb 0.66 -0.28 0.91 0.00 -2.33 0.00 0.00 43.42 42.38 1mp1 n LEU 75 CO 0.50 -0.02 1.09 -0.62 -1.33 0.00 0.00 177.39 177.01 1mp1 n GLU 76 N -1.28 0.99 -2.05 3.23 1.02 0.16 -4.81 120.64 117.91 1mp1 n GLU 76 Ca 0.13 -0.06 -0.06 0.00 -0.02 0.00 0.00 57.16 57.15 1mp1 n GLU 76 Cb 0.22 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 -0.95 0.00 0.01 2.62 0.24 -1.09 -5.04 118.33 114.11 1mp1 n VAL 77 Ca 0.23 -0.53 0.11 0.00 -2.04 0.00 0.00 64.34 62.11 1mp1 n VAL 77 Cb 0.14 -0.40 -0.14 0.00 -1.47 0.00 0.00 33.84 31.96 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 -0.83 0.65 -3.46 7.34 4.01 -1.26 -4.47 118.16 120.14 1mp1 n LYS 78 Ca -0.00 -0.14 -0.27 0.00 -0.51 0.00 0.00 58.31 57.38 1mp1 n LYS 78 Cb 0.15 -1.57 -0.12 0.00 -0.51 0.00 0.00 35.03 32.98 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 -4.67 2.79 0.51 4.39 0.01 -1.26 -2.64 114.94 114.07 1mp1 s ASN 79 Ca -0.07 -2.01 -0.19 0.00 -0.71 0.00 0.00 52.86 49.88 1mp1 s ASN 79 Cb 0.13 -0.27 -0.07 0.00 0.41 0.00 0.00 41.25 41.45 1mp1 s ASN 79 CO 0.89 -0.32 1.04 -2.16 -1.51 0.00 0.00 177.10 175.04 1mp1 s PRO 80 N 1.23 3.70 -0.84 -0.60 0.04 -1.26 -4.99 135.00 132.28 1mp1 s PRO 80 Ca 0.17 1.31 -0.16 0.00 0.04 0.00 0.00 61.00 62.35 1mp1 s PRO 80 Cb -0.21 -2.08 0.17 0.00 0.04 0.00 0.00 34.50 32.42 1mp1 s PRO 80 CO -0.04 -0.51 0.90 0.34 0.04 0.00 0.00 177.00 177.74 1mp1 s ASP 81 N -2.20 6.64 0.44 6.66 2.15 -1.26 -4.81 116.67 124.28 1mp1 s ASP 81 Ca 0.66 -2.29 0.22 0.00 0.43 0.00 0.00 52.55 51.57 1mp1 s ASP 81 Cb -0.16 -2.30 1.19 0.00 -0.30 0.00 0.00 42.92 41.35 1mp1 s ASP 81 CO 0.24 -0.83 1.82 -1.28 -0.17 0.00 0.00 175.17 174.95 1mp1 h SER 82 N 8.36 0.33 -0.17 -0.34 0.87 -1.94 0.29 113.55 120.95 1mp1 h SER 82 Ca 0.08 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.71 1mp1 h SER 82 Cb 1.04 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.97 1mp1 h SER 82 CO 0.93 0.09 0.03 0.11 -0.53 0.00 0.00 176.83 177.46 1mp1 h LYS 83 N 0.31 0.09 -0.20 2.24 6.56 -1.89 -0.01 116.57 123.66 1mp1 h LYS 83 Ca 0.53 -0.01 -0.07 0.00 -1.06 0.00 0.00 60.65 60.05 1mp1 h LYS 83 Cb 1.50 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 33.13 1mp1 h LYS 83 CO -0.19 0.06 -0.17 0.52 -2.06 0.00 0.00 179.45 177.61 1mp1 h MET 84 N 0.09 0.35 0.26 3.15 2.86 -0.91 0.48 114.93 121.20 1mp1 h MET 84 Ca 0.08 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1mp1 h MET 84 Cb 0.07 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1mp1 h MET 84 CO -0.11 0.52 -0.12 1.98 1.06 0.00 0.00 176.91 180.24 1mp1 h MET 85 N 0.32 -0.33 -0.17 1.72 -1.53 -0.23 0.57 114.93 115.28 1mp1 h MET 85 Ca 0.06 0.02 -0.10 0.00 -3.44 0.00 0.00 59.70 56.24 1mp1 h MET 85 Cb 0.49 0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.61 1mp1 h MET 85 CO 0.03 -0.13 -0.35 0.37 0.14 0.00 0.00 176.91 176.97 1mp1 h GLN 86 N -0.47 0.36 -0.41 0.39 4.15 -0.92 0.63 115.11 118.83 1mp1 h GLN 86 Ca -0.04 -0.16 -0.11 0.00 0.77 0.00 0.00 58.65 59.12 1mp1 h GLN 86 Cb 0.36 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 1mp1 h GLN 86 CO 0.06 0.67 -0.18 0.82 -1.93 0.00 0.00 178.83 178.26 1mp1 h ILE 87 N 0.31 1.28 -0.07 2.39 2.04 -0.71 0.16 117.51 122.91 1mp1 h ILE 87 Ca 0.04 -1.32 -0.14 0.00 1.00 0.00 0.00 64.86 64.43 1mp1 h ILE 87 Cb 0.77 1.26 0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1mp1 h ILE 87 CO 0.06 0.44 -0.52 0.78 0.00 0.00 0.00 178.15 178.92 1mp1 h ASN 88 N 0.66 0.57 -0.47 1.72 2.35 0.40 -3.01 115.58 117.80 1mp1 h ASN 88 Ca 0.09 -0.68 0.03 0.00 -0.55 0.00 0.00 56.30 55.20 1mp1 h ASN 88 Cb 0.74 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.90 1mp1 h ASN 88 CO 0.06 1.16 0.25 -0.07 -1.65 0.00 0.00 177.43 177.18 1mp1 h LEU 89 N 0.02 0.38 -2.60 1.61 3.38 0.31 0.11 115.31 118.52 1mp1 h LEU 89 Ca -0.05 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1mp1 h LEU 89 Cb 1.18 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1mp1 h LEU 89 CO 0.11 0.27 0.08 0.74 0.09 0.00 0.00 178.44 179.72 1mp1 h THR 90 N 0.50 0.23 0.00 0.22 2.02 -0.69 1.74 112.91 116.92 1mp1 h THR 90 Ca 0.20 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.32 1mp1 h THR 90 Cb 0.08 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1mp1 h THR 90 CO -0.13 0.00 -0.31 1.23 0.37 0.00 0.00 175.52 176.69 1mp1 h GLY 91 N 0.00 0.00 0.00 2.16 0.00 -0.63 -3.34 103.07 101.26 1mp1 h GLY 91 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.20 1mp1 h GLY 91 CO -0.00 0.00 -1.53 0.69 0.00 0.00 0.00 176.54 175.70 1mp1 n PHE 92 N -3.69 0.00 -0.29 5.60 3.01 0.52 -5.04 117.46 117.57 1mp1 n PHE 92 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1mp1 n PHE 92 Cb 0.41 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 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 -2.95 0.00 0.01 4.37 4.77 0.56 -4.94 117.00 118.83 1mp1 n LEU 93 Ca -0.17 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.92 1mp1 n LEU 93 Cb 0.66 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.85 1mp1 n LEU 93 CO 0.07 -0.89 0.21 0.59 -1.33 0.00 0.00 177.39 176.04 1mp1 n ASN 94 N -2.20 0.65 0.00 -1.43 3.02 -1.26 -4.80 115.26 109.24 1mp1 n ASN 94 Ca 0.00 -0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.16 1mp1 n ASN 94 Cb 0.00 0.57 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 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 1.46 3.00 0.27 7.41 0.00 -1.26 -4.78 105.19 111.28 1mp1 n GLY 95 Ca 0.04 -0.81 -0.07 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.04 1.61 1.57 -1.97 -2.24 116.57 116.29 1mp1 h LYS 96 Ca 0.00 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.40 1mp1 h LYS 96 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1mp1 h LYS 96 CO 0.00 0.91 -0.34 -0.91 -0.57 0.00 0.00 179.45 178.54 1mp1 h ASN 97 N 0.70 0.08 -0.54 0.86 2.35 -1.97 -1.66 115.58 115.40 1mp1 h ASN 97 Ca 0.10 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 1mp1 h ASN 97 Cb 0.68 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.01 1mp1 h ASN 97 CO 0.05 0.42 0.10 0.00 -1.65 0.00 0.00 177.43 176.35 1mp1 h ALA 98 N 1.58 1.08 -0.30 -0.83 0.00 -1.76 1.23 119.26 120.26 1mp1 h ALA 98 Ca 0.01 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 1mp1 h ALA 98 Cb 0.65 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1mp1 h ALA 98 CO 0.05 0.60 -0.52 0.00 0.00 0.00 0.00 179.25 179.38 1mp1 h ARG 99 N 0.89 0.89 -0.07 0.00 3.08 -1.07 -2.00 114.38 116.09 1mp1 h ARG 99 Ca 0.18 -0.55 -0.21 0.00 0.07 0.00 0.00 59.98 59.47 1mp1 h ARG 99 Cb 0.38 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1mp1 h ARG 99 CO 0.01 1.19 -0.82 0.93 -1.07 0.00 0.00 179.97 180.21 1mp1 h GLU 100 N 0.68 0.51 0.04 0.04 5.08 -0.97 -2.11 114.58 117.85 1mp1 h GLU 100 Ca 0.02 -0.46 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1mp1 h GLU 100 Cb 1.13 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1mp1 h GLU 100 CO 0.12 1.09 -0.02 0.35 -1.00 0.00 0.00 179.01 179.55 1mp1 h PHE 101 N 0.33 -0.05 -0.27 4.33 3.04 0.16 -2.57 116.94 121.91 1mp1 h PHE 101 Ca -0.06 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.82 1mp1 h PHE 101 Cb 1.43 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 39.94 1mp1 h PHE 101 CO 0.06 0.02 -0.16 0.52 -2.02 0.00 0.00 178.31 176.74 1mp1 h MET 102 N -0.12 0.47 -0.13 1.11 2.86 -1.41 -0.72 114.93 116.99 1mp1 h MET 102 Ca -0.01 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1mp1 h MET 102 Cb 0.10 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1mp1 h MET 102 CO 0.01 0.62 0.00 0.41 1.06 0.00 0.00 176.91 179.01 1mp1 n GLY 103 N -0.58 -0.52 0.00 8.32 0.00 -0.80 0.44 105.19 112.05 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 -0.41 2.20 -0.08 1.61 1.02 -0.65 -4.62 120.64 119.71 1mp1 n GLU 104 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 1mp1 n GLU 104 Cb 0.03 -0.82 -0.14 0.00 -0.02 0.00 0.00 31.44 30.50 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 -1.54 1.86 -0.26 -4.62 -0.00 -0.37 -3.08 117.00 108.99 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 0.32 -0.44 0.06 0.00 -0.00 0.00 0.00 43.42 43.36 1mp1 n LEU 105 CO 0.00 0.74 1.18 -0.25 -0.00 0.00 0.00 177.39 179.06 1mp1 h TRP 106 N 0.01 0.92 0.00 1.96 2.91 -0.23 -1.56 115.95 119.96 1mp1 h TRP 106 Ca -0.51 0.02 -0.13 0.00 1.13 0.00 0.00 58.89 59.41 1mp1 h TRP 106 Cb 2.03 -0.31 -0.02 0.00 -0.51 0.00 0.00 29.16 30.36 1mp1 h TRP 106 CO 0.03 0.58 -0.60 -1.00 -1.03 0.00 0.00 178.44 176.41 1mp1 h PRO 107 N 0.99 0.00 -0.79 2.65 0.13 -1.74 -2.90 132.00 130.35 1mp1 h PRO 107 Ca 0.27 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.43 1mp1 h PRO 107 Cb -0.11 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 30.97 1mp1 h PRO 107 CO -0.06 0.60 0.50 1.25 -0.23 0.00 0.00 178.00 180.07 1mp1 h LEU 108 N 0.00 0.84 -0.61 1.56 5.85 -1.24 -0.96 115.31 120.75 1mp1 h LEU 108 Ca -0.01 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 1mp1 h LEU 108 Cb 1.21 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1mp1 h LEU 108 CO 0.08 0.58 -0.58 -0.07 -0.34 0.00 0.00 178.44 178.11 1mp1 h LEU 109 N 0.99 0.40 -0.80 2.25 3.38 -1.35 -1.18 115.31 119.00 1mp1 h LEU 109 Ca 0.31 -0.22 0.11 0.00 0.09 0.00 0.00 57.88 58.17 1mp1 h LEU 109 Cb -0.00 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.55 1mp1 h LEU 109 CO -0.11 0.89 0.42 -0.07 0.09 0.00 0.00 178.44 179.67 1mp1 h LEU 110 N 0.27 0.56 -0.01 1.67 4.07 -0.99 0.81 115.31 121.69 1mp1 h LEU 110 Ca -0.00 0.07 -0.24 0.00 0.08 0.00 0.00 57.88 57.79 1mp1 h LEU 110 Cb 1.09 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 1mp1 h LEU 110 CO 0.10 0.29 -1.09 -1.28 -1.08 0.00 0.00 178.44 175.38 1mp1 h SER 111 N 0.67 0.27 -0.27 -0.43 0.87 -1.21 -3.23 113.55 110.24 1mp1 h SER 111 Ca 0.41 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1mp1 h SER 111 Cb 0.47 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1mp1 h SER 111 CO -0.30 1.18 0.12 0.00 -0.53 0.00 0.00 176.83 177.30 1mp1 h ALA 112 N 0.79 0.35 0.00 6.23 0.00 0.21 -0.67 119.26 126.16 1mp1 h ALA 112 Ca -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1mp1 h ALA 112 Cb 1.80 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1mp1 h ALA 112 CO 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1mp1 n GLN 113 N -4.79 0.08 0.01 0.00 10.64 0.26 0.15 117.38 123.72 1mp1 n GLN 113 Ca -0.02 0.52 0.11 0.00 -1.83 0.00 0.00 57.00 55.78 1mp1 n GLN 113 Cb 0.11 -1.73 0.14 0.00 -0.86 0.00 0.00 30.24 27.90 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 -1.89 0.05 -0.16 2.61 -0.58 -0.29 -4.83 120.64 115.56 1mp1 n GLU 114 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1mp1 n GLU 114 Cb 0.06 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 1mp1 n GLU 114 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1mp1 n ASN 115 N -1.59 0.00 -0.05 1.62 3.02 0.12 -5.06 115.26 113.32 1mp1 n ASN 115 Ca 0.05 -0.47 -0.08 0.00 -0.03 0.00 0.00 54.58 54.04 1mp1 n ASN 115 Cb 0.35 0.00 -0.04 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 -0.79 0.56 1.57 2.41 0.00 -1.26 -4.53 119.36 117.33 1mp1 n ILE 116 Ca 0.00 -0.19 0.12 0.00 0.00 0.00 0.00 62.75 62.68 1mp1 n ILE 116 Cb 0.00 -1.13 0.55 0.00 0.00 0.00 0.00 39.64 39.05 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 -3.03 2.58 -2.96 1.51 0.00 -1.26 -4.90 120.51 112.45 1mp1 n ALA 117 Ca -0.18 -0.38 -0.12 0.00 0.00 0.00 0.00 53.44 52.76 1mp1 n ALA 117 Cb 0.67 -1.22 0.04 0.00 0.00 0.00 0.00 19.45 18.94 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 1.07 0.16 3.38 0.00 0.00 -1.25 -4.40 105.19 104.14 1mp1 n GLY 118 Ca 0.18 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.09 2.76 0.43 -0.61 1.09 -1.25 0.11 121.20 120.63 1mp1 s ILE 119 Ca 0.27 -0.80 -0.23 0.00 -1.10 0.00 0.00 60.65 58.78 1mp1 s ILE 119 Cb -0.12 -2.09 -0.09 0.00 -1.06 0.00 0.00 42.46 39.10 1mp1 s ILE 119 CO 0.33 0.56 1.05 -2.16 -0.10 0.00 0.00 174.94 174.62 1mp1 s PRO 120 N -0.20 4.05 0.42 2.79 0.04 -1.26 -4.35 135.00 136.48 1mp1 s PRO 120 Ca -0.01 1.48 0.27 0.00 0.04 0.00 0.00 61.00 62.79 1mp1 s PRO 120 Cb -0.13 -2.41 1.49 0.00 0.04 0.00 0.00 34.50 33.49 1mp1 s PRO 120 CO 0.03 -0.24 1.83 0.66 0.04 0.00 0.00 177.00 179.33 1mp1 h SER 121 N 2.21 0.00 -0.05 6.66 4.64 -1.86 0.22 113.55 125.37 1mp1 h SER 121 Ca -0.49 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.85 1mp1 h SER 121 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1mp1 h SER 121 CO 0.61 0.00 0.04 0.00 -0.87 0.00 0.00 176.83 176.62 1mp1 h ALA 122 N 1.95 1.88 0.00 5.18 0.00 -1.93 -1.68 119.26 124.66 1mp1 h ALA 122 Ca 0.00 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 1mp1 h ALA 122 Cb 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1mp1 h ALA 122 CO 0.00 -0.07 -2.36 1.19 0.00 0.00 0.00 179.25 178.01 1mp1 n PHE 123 N -4.26 0.00 0.03 0.00 3.72 0.03 -4.02 117.46 112.96 1mp1 n PHE 123 Ca -0.02 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.35 1mp1 n PHE 123 Cb 0.14 -0.93 -0.02 0.00 -0.94 0.00 0.00 39.48 37.74 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 -0.30 -0.01 4.37 3.38 -1.20 -3.17 115.31 118.37 1mp1 h LEU 124 Ca -0.53 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.47 1mp1 h LEU 124 Cb 1.87 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.71 1mp1 h LEU 124 CO -0.07 -0.11 -0.18 -0.08 0.09 0.00 0.00 178.44 178.09 1mp1 h GLU 125 N -0.16 -0.21 -6.37 1.13 4.81 -1.57 -3.42 114.58 108.79 1mp1 h GLU 125 Ca -0.00 0.01 -0.42 0.00 -0.13 0.00 0.00 59.36 58.82 1mp1 h GLU 125 Cb 0.15 0.05 0.22 0.00 0.63 0.00 0.00 28.75 29.80 1mp1 h GLU 125 CO -0.05 -0.14 -1.40 1.28 -0.73 0.00 0.00 179.01 177.97 1mp1 n LEU 126 N -3.51 -2.38 0.00 1.64 4.77 -1.20 -4.95 117.00 111.38 1mp1 n LEU 126 Ca -0.02 -0.14 -0.01 0.00 -0.03 0.00 0.00 56.01 55.81 1mp1 n LEU 126 Cb 0.13 -0.79 -0.01 0.00 -2.33 0.00 0.00 43.42 40.42 1mp1 n LEU 126 CO 0.04 -2.92 0.05 0.11 -1.33 0.00 0.00 177.39 173.34 1mp1 h LYS 127 N -1.88 -0.08 -6.23 3.23 6.56 -1.82 -3.46 116.57 112.88 1mp1 h LYS 127 Ca -0.45 0.01 -0.19 0.00 -1.06 0.00 0.00 60.65 58.96 1mp1 h LYS 127 Cb 1.26 0.02 0.01 0.00 -0.57 0.00 0.00 32.23 32.95 1mp1 h LYS 127 CO 0.30 -0.06 -1.05 1.63 -2.06 0.00 0.00 179.45 178.22 1mp1 n LYS 128 N -4.03 -1.60 -1.61 3.15 4.01 -1.26 -4.68 118.16 112.14 1mp1 n LYS 128 Ca -0.01 1.42 -0.43 0.00 -0.51 0.00 0.00 58.31 58.78 1mp1 n LYS 128 Cb 0.03 -2.43 -0.03 0.00 -0.51 0.00 0.00 35.03 32.09 1mp1 n LYS 128 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1mp1 n GLU 129 N 0.34 2.16 -2.67 1.97 4.07 -1.26 -4.81 120.64 120.43 1mp1 n GLU 129 Ca -0.03 0.65 -0.02 0.00 -0.06 0.00 0.00 57.16 57.70 1mp1 n GLU 129 Cb 0.54 -3.16 0.03 0.00 -0.06 0.00 0.00 31.44 28.80 1mp1 n GLU 129 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1mp1 s GLU 130 N 5.89 0.13 -0.47 5.31 2.02 -1.26 -5.11 118.70 125.20 1mp1 s GLU 130 Ca 0.98 -0.11 0.01 0.00 0.02 0.00 0.00 54.97 55.86 1mp1 s GLU 130 Cb -0.38 -0.00 0.12 0.00 0.10 0.00 0.00 34.13 33.97 1mp1 s GLU 130 CO 0.37 -0.16 0.24 0.42 0.02 0.00 0.00 175.26 176.15 1mp1 s ILE 131 N 1.17 2.97 -1.36 -1.63 -1.09 -1.26 -5.01 121.20 114.99 1mp1 s ILE 131 Ca 0.21 -2.66 -0.16 0.00 -2.23 0.00 0.00 60.65 55.81 1mp1 s ILE 131 Cb 0.12 -3.04 0.05 0.00 -1.58 0.00 0.00 42.46 38.01 1mp1 s ILE 131 CO -0.12 -0.74 1.96 1.17 -1.23 0.00 0.00 174.94 175.98 1mp1 n LYS 132 N 3.88 3.00 -3.65 2.79 4.81 -1.26 -4.78 118.16 122.96 1mp1 n LYS 132 Ca 0.04 -2.95 -0.02 0.00 -0.87 0.00 0.00 58.31 54.50 1mp1 n LYS 132 Cb 0.38 -3.40 -0.07 0.00 0.02 0.00 0.00 35.03 31.96 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 3.82 0.11 0.00 1.64 2.00 -1.26 -5.38 119.66 120.60 1mp1 s GLN 133 Ca 0.51 0.15 0.00 0.00 -2.00 0.00 0.00 55.36 54.02 1mp1 s GLN 133 Cb 0.08 0.05 0.00 0.00 0.80 0.00 0.00 33.01 33.94 1mp1 s GLN 133 CO 0.01 -0.02 0.33 0.54 -0.50 0.00 0.00 175.29 175.65