#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lm0 h ASN 33 N 0.00 0.00 0.00 4.04 4.21 -2.06 -3.40 115.58 118.37 1lm0 h ASN 33 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1lm0 h ASN 33 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1lm0 h ASN 33 CO 0.00 0.00 -0.18 0.00 -1.29 0.00 0.00 177.43 175.96 1lm0 n LEU 34 N -2.84 0.61 -3.93 1.61 -0.00 -1.26 -4.76 117.00 106.43 1lm0 n LEU 34 Ca 0.02 0.36 -0.42 0.00 -0.00 0.00 0.00 56.01 55.96 1lm0 n LEU 34 Cb 0.32 -0.62 0.00 0.00 -0.00 0.00 0.00 43.42 43.12 1lm0 n LEU 34 CO 0.26 -0.49 2.26 -3.20 -0.00 0.00 0.00 177.39 176.23 1lm0 n ASN 35 N -3.06 4.51 -4.38 1.45 2.85 -1.24 -4.35 115.26 111.04 1lm0 n ASN 35 Ca -0.03 -2.95 -0.20 0.00 -0.11 0.00 0.00 54.58 51.30 1lm0 n ASN 35 Cb 0.10 -1.60 -0.10 0.00 1.24 0.00 0.00 39.78 39.41 1lm0 n ASN 35 CO 0.00 0.00 0.00 -1.48 -2.11 0.00 0.00 177.26 173.67 1lm0 s LEU 36 N 1.61 2.51 -0.27 1.20 0.05 -1.26 -4.86 118.68 117.66 1lm0 s LEU 36 Ca 0.45 -1.10 -0.24 0.00 0.05 0.00 0.00 54.13 53.29 1lm0 s LEU 36 Cb 0.10 -0.65 -0.00 0.00 -2.05 0.00 0.00 46.19 43.59 1lm0 s LEU 36 CO -0.03 -0.25 0.81 -0.36 -0.55 0.00 0.00 176.35 175.97 1lm0 s PHE 37 N -3.00 3.26 0.27 3.48 0.08 -1.26 -0.30 117.98 120.51 1lm0 s PHE 37 Ca 0.26 1.00 0.08 0.00 0.12 0.00 0.00 56.93 58.39 1lm0 s PHE 37 Cb 0.01 -3.13 -0.05 0.00 -0.57 0.00 0.00 43.02 39.28 1lm0 s PHE 37 CO 0.09 -0.47 -0.11 0.71 -0.10 0.00 0.00 175.22 175.34 1lm0 s TYR 38 N 2.90 1.99 0.36 0.36 2.02 0.18 -4.95 117.35 120.22 1lm0 s TYR 38 Ca 0.34 -0.58 -0.26 0.00 -0.37 0.00 0.00 57.07 56.20 1lm0 s TYR 38 Cb -0.15 -1.04 -0.09 0.00 -0.40 0.00 0.00 41.96 40.29 1lm0 s TYR 38 CO 0.10 0.41 1.06 0.95 -1.57 0.00 0.00 175.55 176.50 1lm0 s THR 39 N -2.87 3.66 0.26 -0.71 -4.23 -1.26 -0.73 115.64 109.76 1lm0 s THR 39 Ca 0.28 1.38 -0.03 0.00 -1.18 0.00 0.00 61.69 62.14 1lm0 s THR 39 Cb 0.01 -3.76 0.24 0.00 1.34 0.00 0.00 72.50 70.33 1lm0 s THR 39 CO 0.12 0.11 1.83 -0.65 -0.54 0.00 0.00 174.62 175.49 1lm0 h PRO 40 N 2.87 0.91 -0.12 3.99 0.11 -1.86 -2.84 132.00 135.07 1lm0 h PRO 40 Ca -0.48 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.61 1lm0 h PRO 40 Cb 1.21 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 1lm0 h PRO 40 CO 0.64 0.60 -0.05 0.77 -0.21 0.00 0.00 178.00 179.74 1lm0 h SER 41 N 0.94 -0.18 -0.49 -2.05 0.02 -1.85 -2.35 113.55 107.59 1lm0 h SER 41 Ca 0.43 0.05 0.09 0.00 -0.84 0.00 0.00 61.79 61.52 1lm0 h SER 41 Cb 0.34 0.10 -0.10 0.00 0.14 0.00 0.00 62.40 62.88 1lm0 h SER 41 CO -0.23 -0.07 -0.31 -0.33 -1.14 0.00 0.00 176.83 174.75 1lm0 h GLU 42 N -0.04 -0.19 0.00 3.45 3.07 -1.85 0.22 114.58 119.25 1lm0 h GLU 42 Ca 0.07 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.91 1lm0 h GLU 42 Cb 0.14 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1lm0 h GLU 42 CO -0.15 -0.12 -0.13 -0.84 -1.40 0.00 0.00 179.01 176.37 1lm0 h ILE 43 N -0.19 0.93 -0.01 3.13 3.07 -1.41 -0.68 117.51 122.36 1lm0 h ILE 43 Ca 0.21 -0.46 -0.02 0.00 1.55 0.00 0.00 64.86 66.13 1lm0 h ILE 43 Cb 0.53 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 38.34 1lm0 h ILE 43 CO -0.60 0.12 -0.09 0.58 -1.05 0.00 0.00 178.15 177.11 1lm0 h VAL 44 N 0.00 1.56 -0.22 0.16 2.07 -0.78 0.59 116.25 119.63 1lm0 h VAL 44 Ca -0.00 -1.78 -0.02 0.00 0.82 0.00 0.00 66.70 65.71 1lm0 h VAL 44 Cb 0.25 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 1lm0 h VAL 44 CO 0.02 0.47 0.04 0.78 0.02 0.00 0.00 177.57 178.91 1lm0 h ASN 45 N -0.63 0.34 0.00 0.57 -0.26 0.86 -3.42 115.58 113.04 1lm0 h ASN 45 Ca -0.01 -0.25 0.00 0.00 -0.56 0.00 0.00 56.30 55.48 1lm0 h ASN 45 Cb 0.82 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.99 1lm0 h ASN 45 CO 0.02 0.50 0.00 0.61 -1.06 0.00 0.00 177.43 177.50 1lm0 n GLY 46 N -0.49 -1.83 0.00 2.83 0.00 -0.62 -4.96 105.19 100.12 1lm0 n GLY 46 Ca -0.04 0.91 0.00 0.00 0.00 0.00 0.00 46.02 46.89 1lm0 n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lm0 n LYS 47 N 0.00 0.00 -0.04 1.61 4.76 -1.23 -4.69 118.16 118.57 1lm0 n LYS 47 Ca 0.00 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 1lm0 n LYS 47 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 1lm0 n LYS 47 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1lm0 h THR 48 N 0.00 0.94 -0.77 -0.18 2.02 -1.76 0.14 112.91 113.30 1lm0 h THR 48 Ca 0.00 -1.62 0.17 0.00 0.77 0.00 0.00 66.41 65.72 1lm0 h THR 48 Cb 0.00 1.74 -0.11 0.00 -1.74 0.00 0.00 68.15 68.04 1lm0 h THR 48 CO 0.00 0.31 0.23 -0.78 0.37 0.00 0.00 175.52 175.64 1lm0 h ASP 49 N -0.98 0.09 0.66 4.18 1.82 -1.12 0.25 116.42 121.33 1lm0 h ASP 49 Ca -0.00 0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 1lm0 h ASP 49 Cb 0.53 0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.72 1lm0 h ASP 49 CO 0.01 -0.02 -0.40 0.41 -1.61 0.00 0.00 179.24 177.63 1lm0 n THR 50 N -5.12 0.05 -3.85 2.25 -1.04 -1.25 -4.94 114.28 100.38 1lm0 n THR 50 Ca 0.15 -0.04 -0.25 0.00 -2.04 0.00 0.00 64.05 61.87 1lm0 n THR 50 Cb 0.49 0.04 0.01 0.00 -1.82 0.00 0.00 70.33 69.05 1lm0 n THR 50 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1lm0 n GLY 51 N 1.48 -0.33 0.09 3.41 0.00 0.88 -4.94 105.19 105.77 1lm0 n GLY 51 Ca 0.06 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 1lm0 n GLY 51 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1lm0 h VAL 52 N -1.88 0.88 0.00 1.61 -1.51 -1.11 -3.44 116.25 110.80 1lm0 h VAL 52 Ca -0.61 -1.92 -0.44 0.00 -1.23 0.00 0.00 66.70 62.50 1lm0 h VAL 52 Cb 1.37 1.93 -0.07 0.00 -2.13 0.00 0.00 31.29 32.39 1lm0 h VAL 52 CO 0.62 0.30 -2.47 0.29 -1.23 0.00 0.00 177.57 175.08 1lm0 n LYS 53 N -4.53 0.57 -1.25 5.19 4.76 -1.26 -5.00 118.16 116.64 1lm0 n LYS 53 Ca -0.21 0.23 -0.08 0.00 -2.87 0.00 0.00 58.31 55.38 1lm0 n LYS 53 Cb 0.51 -1.45 0.04 0.00 -1.84 0.00 0.00 35.03 32.30 1lm0 n LYS 53 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1lm0 n PRO 54 N -4.05 0.29 -3.65 1.97 -0.04 -1.26 -5.11 135.00 123.15 1lm0 n PRO 54 Ca -0.51 -0.94 -0.12 0.00 -0.04 0.00 0.00 63.50 61.89 1lm0 n PRO 54 Cb 0.89 -0.26 -0.06 0.00 -0.04 0.00 0.00 33.50 34.03 1lm0 n PRO 54 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1lm0 s GLU 55 N -3.41 0.96 0.96 0.54 -1.05 -1.26 -4.60 118.70 110.84 1lm0 s GLU 55 Ca 0.24 -0.42 -0.12 0.00 -0.15 0.00 0.00 54.97 54.51 1lm0 s GLU 55 Cb -0.01 0.43 0.07 0.00 -0.44 0.00 0.00 34.13 34.18 1lm0 s GLU 55 CO 0.16 -0.34 0.56 0.00 0.95 0.00 0.00 175.26 176.59 1lm0 n ALA 56 N 0.35 -2.33 -2.04 -0.84 0.00 -1.26 -3.89 120.51 110.50 1lm0 n ALA 56 Ca -0.18 -0.66 -0.05 0.00 0.00 0.00 0.00 53.44 52.55 1lm0 n ALA 56 Cb 0.61 -1.87 -0.00 0.00 0.00 0.00 0.00 19.45 18.18 1lm0 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lm0 n GLY 57 N 1.25 0.20 3.37 0.00 0.00 -1.26 -5.05 105.19 103.70 1lm0 n GLY 57 Ca 0.07 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 1lm0 n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lm0 s GLN 58 N -4.14 1.36 0.11 1.61 -0.21 -1.25 -5.00 119.66 112.13 1lm0 s GLN 58 Ca 0.00 -1.38 -0.19 0.00 0.02 0.00 0.00 55.36 53.81 1lm0 s GLN 58 Cb 0.00 -1.66 -0.07 0.00 1.00 0.00 0.00 33.01 32.28 1lm0 s GLN 58 CO 0.00 0.37 0.60 1.03 -2.12 0.00 0.00 175.29 175.17 1lm0 s ARG 59 N -2.39 4.21 0.31 2.91 0.52 -1.26 -2.52 118.95 120.72 1lm0 s ARG 59 Ca 0.15 0.75 0.01 0.00 -0.52 0.00 0.00 55.73 56.12 1lm0 s ARG 59 Cb -0.08 -3.16 -0.02 0.00 0.52 0.00 0.00 34.95 32.21 1lm0 s ARG 59 CO 0.07 0.59 0.34 0.96 0.02 0.00 0.00 175.30 177.27 1lm0 s ILE 60 N -1.21 0.00 -0.09 1.52 -4.36 -0.89 -3.58 121.20 112.59 1lm0 s ILE 60 Ca 0.32 -1.82 0.03 0.00 -0.26 0.00 0.00 60.65 58.92 1lm0 s ILE 60 Cb -0.19 -2.53 0.01 0.00 1.25 0.00 0.00 42.46 41.00 1lm0 s ILE 60 CO 0.20 0.00 -0.18 -0.13 0.24 0.00 0.00 174.94 175.07 1lm0 s ARG 61 N -3.46 2.39 -0.12 0.37 0.52 0.58 -2.26 118.95 116.97 1lm0 s ARG 61 Ca 0.36 -0.65 -0.20 0.00 -0.52 0.00 0.00 55.73 54.72 1lm0 s ARG 61 Cb 0.02 -1.88 -0.04 0.00 0.52 0.00 0.00 34.95 33.57 1lm0 s ARG 61 CO 0.21 0.09 0.55 0.54 0.02 0.00 0.00 175.30 176.71 1lm0 s VAL 62 N 0.54 5.13 -0.05 3.52 0.11 0.73 -0.64 120.40 129.74 1lm0 s VAL 62 Ca -0.16 1.09 -0.02 0.00 -2.93 0.00 0.00 61.98 59.96 1lm0 s VAL 62 Cb -0.17 -3.88 0.03 0.00 -1.53 0.00 0.00 36.38 30.83 1lm0 s VAL 62 CO 0.06 0.27 0.06 -0.83 -3.33 0.00 0.00 175.10 171.32 1lm0 s GLY 63 N 0.79 0.23 0.00 6.54 0.00 0.09 -0.30 107.32 114.67 1lm0 s GLY 63 Ca 0.29 0.14 0.00 0.00 0.00 0.00 0.00 44.72 45.15 1lm0 s GLY 63 CO 0.12 1.41 0.00 0.61 0.00 0.00 0.00 173.10 175.24 1lm0 n GLY 64 N 5.29 1.29 3.91 0.20 0.00 -1.16 -4.19 105.19 110.55 1lm0 n GLY 64 Ca -0.03 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 1lm0 n GLY 64 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1lm0 s MET 65 N 1.25 3.46 0.16 1.61 0.23 0.27 -2.56 119.30 123.72 1lm0 s MET 65 Ca 0.00 -0.39 -0.05 0.00 -1.03 0.00 0.00 55.69 54.22 1lm0 s MET 65 Cb 0.00 -3.04 -0.06 0.00 -1.53 0.00 0.00 34.83 30.20 1lm0 s MET 65 CO 0.00 0.61 0.41 0.08 -2.03 0.00 0.00 175.02 174.09 1lm0 s VAL 66 N -1.48 5.12 0.52 5.16 1.01 -0.04 -0.65 120.40 130.04 1lm0 s VAL 66 Ca 0.34 0.10 -0.08 0.00 0.00 0.00 0.00 61.98 62.34 1lm0 s VAL 66 Cb -0.13 -3.63 0.13 0.00 0.00 0.00 0.00 36.38 32.75 1lm0 s VAL 66 CO 0.26 0.01 0.29 0.41 0.00 0.00 0.00 175.10 176.06 1lm0 n THR 67 N 0.01 0.00 -3.46 3.92 -1.04 -1.25 -3.75 114.28 108.71 1lm0 n THR 67 Ca -0.02 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.73 1lm0 n THR 67 Cb 0.52 -0.33 -0.09 0.00 -1.82 0.00 0.00 70.33 68.61 1lm0 n THR 67 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1lm0 n VAL 68 N -3.85 1.22 0.00 12.58 3.14 -1.26 -0.42 118.33 129.74 1lm0 n VAL 68 Ca 0.05 -4.72 0.00 0.00 -2.96 0.00 0.00 64.34 56.70 1lm0 n VAL 68 Cb 0.20 -2.05 0.00 0.00 -1.06 0.00 0.00 33.84 30.93 1lm0 n VAL 68 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1lm0 n GLY 69 N 1.37 0.32 0.31 7.55 0.00 -1.26 -4.95 105.19 108.52 1lm0 n GLY 69 Ca 0.26 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.47 1lm0 n GLY 69 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1lm0 h SER 70 N 0.00 0.00 -2.18 1.61 0.02 -1.92 -3.42 113.55 107.66 1lm0 h SER 70 Ca 0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 1lm0 h SER 70 Cb 0.00 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.57 1lm0 h SER 70 CO 0.00 0.02 1.09 0.80 -1.14 0.00 0.00 176.83 177.60 1lm0 n MET 71 N -3.24 2.39 -4.86 3.45 1.56 -1.26 -4.23 117.12 110.92 1lm0 n MET 71 Ca -0.02 0.87 -0.27 0.00 -0.27 0.00 0.00 57.70 58.01 1lm0 n MET 71 Cb 0.16 -2.74 -0.17 0.00 2.15 0.00 0.00 33.22 32.62 1lm0 n MET 71 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 1lm0 s VAL 72 N 3.59 1.52 0.02 1.12 -7.23 -0.11 -5.01 120.40 114.30 1lm0 s VAL 72 Ca 0.89 -0.72 0.08 0.00 -1.81 0.00 0.00 61.98 60.42 1lm0 s VAL 72 Cb -0.61 -1.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.97 1lm0 s VAL 72 CO 0.46 0.44 -0.24 0.00 -0.31 0.00 0.00 175.10 175.45 1lm0 s ARG 73 N 0.41 1.75 0.40 4.82 1.04 -1.26 -0.91 118.95 125.20 1lm0 s ARG 73 Ca -0.14 -0.96 -0.11 0.00 -1.04 0.00 0.00 55.73 53.48 1lm0 s ARG 73 Cb -0.16 -1.81 -0.07 0.00 -2.04 0.00 0.00 34.95 30.87 1lm0 s ARG 73 CO 0.05 0.48 0.77 -0.51 -0.04 0.00 0.00 175.30 176.06 1lm0 s ASP 74 N -0.93 6.56 0.44 -2.89 1.11 0.05 -4.98 116.67 116.02 1lm0 s ASP 74 Ca 0.10 1.17 0.13 0.00 0.18 0.00 0.00 52.55 54.13 1lm0 s ASP 74 Cb -0.09 -2.34 0.97 0.00 1.07 0.00 0.00 42.92 42.53 1lm0 s ASP 74 CO 0.01 -0.38 1.99 1.55 1.18 0.00 0.00 175.17 179.51 1lm0 h PRO 75 N 1.37 0.05 -0.98 8.23 0.13 -2.01 -2.90 132.00 135.88 1lm0 h PRO 75 Ca -0.47 -0.01 0.34 0.00 -0.87 0.00 0.00 66.00 64.98 1lm0 h PRO 75 Cb 1.19 -0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.15 1lm0 h PRO 75 CO 0.64 0.21 0.47 -0.91 -0.23 0.00 0.00 178.00 178.18 1lm0 h ASN 76 N 0.05 0.30 0.00 1.44 2.35 -1.93 -3.45 115.58 114.34 1lm0 h ASN 76 Ca 0.01 0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1lm0 h ASN 76 Cb 0.31 0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1lm0 h ASN 76 CO 0.02 -0.25 0.00 -1.20 -1.65 0.00 0.00 177.43 174.35 1lm0 n SER 77 N -5.18 0.00 -0.40 5.81 7.64 -1.10 -4.89 113.62 115.51 1lm0 n SER 77 Ca 0.32 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.27 1lm0 n SER 77 Cb 1.02 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 64.38 1lm0 n SER 77 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1lm0 n LEU 78 N 0.00 2.42 -3.58 -3.43 -0.00 -1.26 -3.99 117.00 107.16 1lm0 n LEU 78 Ca 0.00 -3.41 -0.17 0.00 -0.00 0.00 0.00 56.01 52.42 1lm0 n LEU 78 Cb 0.00 -0.45 -0.14 0.00 -0.00 0.00 0.00 43.42 42.83 1lm0 n LEU 78 CO 0.00 1.05 -0.21 -1.00 -0.00 0.00 0.00 177.39 177.23 1lm0 s HIS 79 N -2.88 -0.24 0.00 1.47 3.76 -1.26 -2.04 115.29 114.10 1lm0 s HIS 79 Ca 0.34 0.43 0.01 0.00 -0.15 0.00 0.00 55.06 55.69 1lm0 s HIS 79 Cb 0.32 -0.30 -0.00 0.00 1.11 0.00 0.00 32.58 33.71 1lm0 s HIS 79 CO -0.03 -0.45 -0.03 0.14 -0.85 0.00 0.00 174.74 173.52 1lm0 s VAL 80 N 2.32 0.18 0.06 -0.90 -7.23 -0.07 -0.77 120.40 113.98 1lm0 s VAL 80 Ca 0.04 -0.24 0.01 0.00 -1.81 0.00 0.00 61.98 59.99 1lm0 s VAL 80 Cb -0.14 -0.18 -0.03 0.00 0.56 0.00 0.00 36.38 36.58 1lm0 s VAL 80 CO -0.09 -0.04 -0.05 0.00 -0.31 0.00 0.00 175.10 174.60 1lm0 s GLN 81 N -0.29 0.60 0.12 4.82 -2.07 -0.09 -0.54 119.66 122.22 1lm0 s GLN 81 Ca -0.02 -1.02 -0.18 0.00 -1.82 0.00 0.00 55.36 52.33 1lm0 s GLN 81 Cb -0.02 -0.07 0.04 0.00 -1.09 0.00 0.00 33.01 31.87 1lm0 s GLN 81 CO -0.00 -0.03 0.44 -0.59 -1.32 0.00 0.00 175.29 173.79 1lm0 s PHE 82 N -2.71 -0.27 -0.10 9.60 -0.71 -0.07 -0.94 117.98 122.79 1lm0 s PHE 82 Ca -0.00 0.01 -0.01 0.00 -1.04 0.00 0.00 56.93 55.88 1lm0 s PHE 82 Cb -0.01 0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 42.08 1lm0 s PHE 82 CO -0.04 -0.71 -0.04 0.00 -1.34 0.00 0.00 175.22 173.09 1lm0 s ALA 83 N -3.63 3.07 -0.05 1.99 0.00 -1.26 -0.27 121.76 121.60 1lm0 s ALA 83 Ca 0.02 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.19 1lm0 s ALA 83 Cb 0.01 -1.41 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 1lm0 s ALA 83 CO -0.11 0.45 -0.22 0.08 0.00 0.00 0.00 175.76 175.97 1lm0 s VAL 84 N -0.42 1.78 0.15 0.00 1.01 0.35 -3.83 120.40 119.44 1lm0 s VAL 84 Ca 0.07 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.17 1lm0 s VAL 84 Cb -0.12 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1lm0 s VAL 84 CO 0.02 0.50 -0.08 -1.38 0.00 0.00 0.00 175.10 174.16 1lm0 s HIS 85 N -0.09 1.21 -1.08 5.22 -3.43 0.18 -0.45 115.29 116.85 1lm0 s HIS 85 Ca -0.03 -0.82 0.17 0.00 -0.80 0.00 0.00 55.06 53.58 1lm0 s HIS 85 Cb -0.13 -0.64 0.60 0.00 -1.43 0.00 0.00 32.58 30.98 1lm0 s HIS 85 CO 0.03 0.00 1.51 -3.47 -2.00 0.00 0.00 174.74 170.82 1lm0 n ASP 86 N -0.19 4.16 -2.18 7.38 2.03 -1.24 -0.56 116.55 125.95 1lm0 n ASP 86 Ca -0.10 -2.37 -0.15 0.00 0.52 0.00 0.00 54.79 52.70 1lm0 n ASP 86 Cb 0.61 -0.49 -0.02 0.00 -0.72 0.00 0.00 41.12 40.50 1lm0 n ASP 86 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1lm0 n SER 87 N 0.86 -4.33 -0.02 1.67 2.88 -1.26 -4.85 113.62 108.57 1lm0 n SER 87 Ca 0.22 0.19 -0.02 0.00 -1.33 0.00 0.00 58.87 57.93 1lm0 n SER 87 Cb 0.76 -3.73 -0.01 0.00 -0.75 0.00 0.00 64.21 60.48 1lm0 n SER 87 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1lm0 n LEU 88 N -2.64 0.59 0.00 2.46 4.77 -1.26 -5.04 117.00 115.88 1lm0 n LEU 88 Ca -0.17 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1lm0 n LEU 88 Cb 0.60 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1lm0 n LEU 88 CO 0.21 -0.46 0.00 0.61 -1.33 0.00 0.00 177.39 176.42 1lm0 n GLY 89 N 1.90 -1.41 0.00 -0.72 0.00 -1.26 -5.15 105.19 98.54 1lm0 n GLY 89 Ca -0.04 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1lm0 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lm0 n GLY 90 N 0.00 1.77 2.83 -0.02 0.00 -1.26 -4.81 105.19 103.69 1lm0 n GLY 90 Ca 0.00 0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1lm0 n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lm0 s GLU 91 N -0.67 1.02 0.17 1.61 2.12 -1.26 -3.51 118.70 118.18 1lm0 s GLU 91 Ca 0.00 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.25 1lm0 s GLU 91 Cb 0.00 -1.30 -0.04 0.00 0.26 0.00 0.00 34.13 33.05 1lm0 s GLU 91 CO 0.00 -0.30 0.33 0.42 -0.54 0.00 0.00 175.26 175.17 1lm0 s ILE 92 N 1.85 5.27 -0.27 -3.70 -1.09 0.40 -4.86 121.20 118.79 1lm0 s ILE 92 Ca 0.05 -0.47 -0.11 0.00 -2.23 0.00 0.00 60.65 57.88 1lm0 s ILE 92 Cb -0.13 -3.72 -0.05 0.00 -1.58 0.00 0.00 42.46 36.98 1lm0 s ILE 92 CO -0.07 -0.10 0.18 -0.76 -1.23 0.00 0.00 174.94 172.96 1lm0 s LEU 93 N -3.19 4.01 -0.11 2.97 1.43 -1.26 -0.49 118.68 122.04 1lm0 s LEU 93 Ca 0.37 -0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.35 1lm0 s LEU 93 Cb -0.11 -2.11 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 1lm0 s LEU 93 CO 0.29 -0.04 0.25 -0.69 0.23 0.00 0.00 176.35 176.39 1lm0 s VAL 94 N 1.67 5.32 0.03 -1.59 1.01 0.62 -1.46 120.40 126.00 1lm0 s VAL 94 Ca 0.07 0.47 0.05 0.00 0.00 0.00 0.00 61.98 62.57 1lm0 s VAL 94 Cb -0.16 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1lm0 s VAL 94 CO 0.10 0.53 -0.11 0.42 0.00 0.00 0.00 175.10 176.05 1lm0 s THR 95 N -0.52 3.35 -0.29 3.92 -4.23 0.29 -0.89 115.64 117.28 1lm0 s THR 95 Ca 0.17 -0.95 -0.02 0.00 -1.18 0.00 0.00 61.69 59.71 1lm0 s THR 95 Cb -0.13 -2.46 0.12 0.00 1.34 0.00 0.00 72.50 71.37 1lm0 s THR 95 CO 0.06 0.35 0.23 -0.47 -0.54 0.00 0.00 174.62 174.24 1lm0 s TYR 96 N -1.00 -0.15 -0.65 3.99 6.14 0.30 -2.86 117.35 123.12 1lm0 s TYR 96 Ca 0.17 -0.45 -0.06 0.00 0.64 0.00 0.00 57.07 57.37 1lm0 s TYR 96 Cb -0.11 -0.64 -0.08 0.00 0.42 0.00 0.00 41.96 41.56 1lm0 s TYR 96 CO 0.08 -0.88 3.06 -0.40 0.64 0.00 0.00 175.55 178.05 1lm0 n ASP 97 N 5.29 6.71 -1.85 4.32 5.75 -1.26 -0.89 116.55 134.62 1lm0 n ASP 97 Ca -0.04 -2.81 -0.01 0.00 -0.01 0.00 0.00 54.79 51.92 1lm0 n ASP 97 Cb 0.45 -1.38 0.01 0.00 -1.03 0.00 0.00 41.12 39.16 1lm0 n ASP 97 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1lm0 n ASP 98 N 2.12 -0.60 -4.72 -1.12 -0.08 -0.86 -4.73 116.55 106.55 1lm0 n ASP 98 Ca 0.55 -1.29 -0.42 0.00 -1.51 0.00 0.00 54.79 52.12 1lm0 n ASP 98 Cb 0.58 0.96 -0.03 0.00 2.34 0.00 0.00 41.12 44.97 1lm0 n ASP 98 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1lm0 s LEU 99 N 0.00 4.41 0.50 -2.67 1.02 -1.26 -4.20 118.68 116.49 1lm0 s LEU 99 Ca 0.09 1.82 -0.15 0.00 0.02 0.00 0.00 54.13 55.90 1lm0 s LEU 99 Cb -0.01 -3.58 -0.07 0.00 0.02 0.00 0.00 46.19 42.55 1lm0 s LEU 99 CO 0.02 -0.26 0.95 -0.76 0.02 0.00 0.00 176.35 176.32 1lm0 s LEU 100 N 0.63 3.63 0.41 1.79 1.43 -1.26 -5.04 118.68 120.27 1lm0 s LEU 100 Ca 0.52 1.47 -0.26 0.00 -1.03 0.00 0.00 54.13 54.83 1lm0 s LEU 100 Cb -0.24 -4.41 -0.09 0.00 0.03 0.00 0.00 46.19 41.47 1lm0 s LEU 100 CO 0.29 -0.58 1.42 -2.16 0.23 0.00 0.00 176.35 175.56 1lm0 s PRO 101 N -4.13 3.90 -0.83 1.29 0.04 -1.26 -3.03 135.00 130.98 1lm0 s PRO 101 Ca 0.57 2.42 0.00 0.00 0.04 0.00 0.00 61.00 64.03 1lm0 s PRO 101 Cb -0.10 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1lm0 s PRO 101 CO 0.33 -0.64 0.00 -0.25 0.04 0.00 0.00 177.00 176.48 1lm0 n ASP 102 N 0.12 -2.94 -0.24 6.66 9.92 -1.26 -0.09 116.55 128.72 1lm0 n ASP 102 Ca 0.03 0.26 -0.03 0.00 -0.53 0.00 0.00 54.79 54.53 1lm0 n ASP 102 Cb 0.41 -2.63 -0.01 0.00 -0.64 0.00 0.00 41.12 38.25 1lm0 n ASP 102 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1lm0 n LEU 103 N -2.43 0.51 -2.90 0.64 7.94 -1.17 -3.77 117.00 115.83 1lm0 n LEU 103 Ca -0.10 0.07 -0.08 0.00 -1.11 0.00 0.00 56.01 54.79 1lm0 n LEU 103 Cb 0.51 -2.24 0.01 0.00 0.53 0.00 0.00 43.42 42.22 1lm0 n LEU 103 CO 0.13 -0.86 -0.21 0.33 -1.11 0.00 0.00 177.39 175.67 1lm0 n PHE 104 N -1.77 -3.37 -2.60 1.96 -0.00 0.87 -4.90 117.46 107.66 1lm0 n PHE 104 Ca -0.03 1.42 -0.43 0.00 -0.00 0.00 0.00 57.45 58.41 1lm0 n PHE 104 Cb 0.45 -3.64 -0.02 0.00 -0.00 0.00 0.00 39.48 36.27 1lm0 n PHE 104 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1lm0 s ARG 105 N -2.16 4.37 0.91 -4.13 0.52 -1.25 -4.98 118.95 112.24 1lm0 s ARG 105 Ca 0.16 1.49 -0.15 0.00 -0.52 0.00 0.00 55.73 56.72 1lm0 s ARG 105 Cb -0.04 -3.57 0.16 0.00 0.52 0.00 0.00 34.95 32.02 1lm0 s ARG 105 CO 0.74 -0.42 1.27 -1.21 0.02 0.00 0.00 175.30 175.70 1lm0 s GLU 106 N 2.30 1.07 -1.07 3.54 8.01 -1.26 -4.32 118.70 126.97 1lm0 s GLU 106 Ca 0.51 -0.23 -0.04 0.00 0.01 0.00 0.00 54.97 55.21 1lm0 s GLU 106 Cb -0.20 -1.88 0.00 0.00 -4.31 0.00 0.00 34.13 27.74 1lm0 s GLU 106 CO 0.18 -2.15 0.92 0.41 0.01 0.00 0.00 175.26 174.63 1lm0 n GLY 107 N -3.60 -0.27 3.36 -1.39 0.00 0.44 -4.92 105.19 98.81 1lm0 n GLY 107 Ca 0.13 0.06 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 1lm0 n GLY 107 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1lm0 s GLN 108 N -5.67 1.69 -0.01 1.61 -2.07 -1.26 -5.00 119.66 108.95 1lm0 s GLN 108 Ca 0.27 -1.81 -0.03 0.00 -1.82 0.00 0.00 55.36 51.98 1lm0 s GLN 108 Cb -0.12 0.36 -0.04 0.00 -1.09 0.00 0.00 33.01 32.13 1lm0 s GLN 108 CO 0.61 -0.65 0.17 0.20 -1.32 0.00 0.00 175.29 174.30 1lm0 s GLY 109 N -3.26 2.16 0.19 2.60 0.00 -1.26 -0.86 107.32 106.89 1lm0 s GLY 109 Ca 0.36 -0.77 -0.11 0.00 0.00 0.00 0.00 44.72 44.20 1lm0 s GLY 109 CO 0.21 -0.65 0.37 -0.26 0.00 0.00 0.00 173.10 172.77 1lm0 s ILE 110 N -1.30 0.04 -0.07 0.90 -5.25 -1.06 -4.02 121.20 110.44 1lm0 s ILE 110 Ca 0.26 -1.28 0.03 0.00 -0.99 0.00 0.00 60.65 58.67 1lm0 s ILE 110 Cb -0.13 -1.89 0.01 0.00 2.95 0.00 0.00 42.46 43.41 1lm0 s ILE 110 CO 0.18 -0.19 -0.15 0.68 -1.79 0.00 0.00 174.94 173.67 1lm0 s VAL 111 N -3.97 1.37 -0.07 8.37 -7.23 -0.44 -2.98 120.40 115.46 1lm0 s VAL 111 Ca 0.17 -0.62 0.04 0.00 -1.81 0.00 0.00 61.98 59.76 1lm0 s VAL 111 Cb 0.02 -1.22 -0.01 0.00 0.56 0.00 0.00 36.38 35.72 1lm0 s VAL 111 CO 0.02 0.41 -0.20 0.00 -0.31 0.00 0.00 175.10 175.01 1lm0 s ALA 112 N 0.52 2.36 -0.01 1.32 0.00 0.59 -0.35 121.76 126.19 1lm0 s ALA 112 Ca -0.14 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 50.89 1lm0 s ALA 112 Cb -0.16 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 1lm0 s ALA 112 CO 0.05 0.41 -0.23 -1.14 0.00 0.00 0.00 175.76 174.85 1lm0 s GLN 113 N -0.18 2.13 0.00 0.00 0.74 0.74 -0.19 119.66 122.90 1lm0 s GLN 113 Ca -0.02 -0.92 0.00 0.00 0.05 0.00 0.00 55.36 54.47 1lm0 s GLN 113 Cb -0.14 -2.10 0.00 0.00 1.10 0.00 0.00 33.01 31.87 1lm0 s GLN 113 CO 0.03 0.56 0.00 0.41 -0.55 0.00 0.00 175.29 175.75 1lm0 n GLY 114 N 2.24 -0.62 3.10 2.59 0.00 -0.96 -2.11 105.19 109.43 1lm0 n GLY 114 Ca -0.16 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 1lm0 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lm0 s VAL 115 N -1.52 0.65 0.44 1.61 0.11 -0.01 -2.09 120.40 119.59 1lm0 s VAL 115 Ca 0.00 -1.27 -0.24 0.00 -2.93 0.00 0.00 61.98 57.54 1lm0 s VAL 115 Cb 0.00 -0.87 -0.08 0.00 -1.53 0.00 0.00 36.38 33.91 1lm0 s VAL 115 CO 0.00 -0.45 1.28 -0.76 -3.33 0.00 0.00 175.10 171.84 1lm0 s LEU 116 N -1.87 4.10 -0.22 2.54 2.01 -1.05 -0.77 118.68 123.42 1lm0 s LEU 116 Ca -0.05 2.59 0.02 0.00 0.01 0.00 0.00 54.13 56.69 1lm0 s LEU 116 Cb -0.07 -4.05 0.04 0.00 0.01 0.00 0.00 46.19 42.11 1lm0 s LEU 116 CO -0.00 -1.00 -0.15 -0.83 1.01 0.00 0.00 176.35 175.38 1lm0 s GLY 117 N -0.93 1.52 -1.54 -3.19 0.00 0.13 -4.43 107.32 98.87 1lm0 s GLY 117 Ca 0.61 -1.46 -0.05 0.00 0.00 0.00 0.00 44.72 43.82 1lm0 s GLY 117 CO 0.45 0.43 0.60 -2.21 0.00 0.00 0.00 173.10 172.38 1lm0 n GLU 118 N 4.54 -4.81 -3.97 2.90 2.13 -1.26 -0.37 120.64 119.80 1lm0 n GLU 118 Ca -0.18 0.87 -0.31 0.00 0.66 0.00 0.00 57.16 58.21 1lm0 n GLU 118 Cb 0.47 -5.73 -0.07 0.00 0.27 0.00 0.00 31.44 26.37 1lm0 n GLU 118 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1lm0 n ASP 119 N -2.51 -0.62 0.13 4.31 -0.08 -1.26 -4.53 116.55 111.98 1lm0 n ASP 119 Ca -0.10 -1.02 0.00 0.00 -1.51 0.00 0.00 54.79 52.16 1lm0 n ASP 119 Cb 0.61 -1.29 0.00 0.00 2.34 0.00 0.00 41.12 42.78 1lm0 n ASP 119 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1lm0 n GLY 120 N -1.46 -1.32 3.85 0.27 0.00 -0.47 -4.53 105.19 101.53 1lm0 n GLY 120 Ca -0.04 0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1lm0 n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lm0 s LYS 121 N -2.00 4.03 -0.31 1.61 3.01 0.50 -4.64 119.74 121.94 1lm0 s LYS 121 Ca 0.00 0.74 -0.07 0.00 -1.01 0.00 0.00 55.97 55.63 1lm0 s LYS 121 Cb 0.00 -2.37 0.02 0.00 -1.01 0.00 0.00 37.83 34.46 1lm0 s LYS 121 CO 0.00 0.10 0.09 -0.51 0.51 0.00 0.00 175.35 175.54 1lm0 s LEU 122 N -3.11 3.98 -0.66 3.17 2.01 -0.53 0.17 118.68 123.71 1lm0 s LEU 122 Ca 0.56 -0.81 -0.20 0.00 0.01 0.00 0.00 54.13 53.69 1lm0 s LEU 122 Cb -0.10 -1.88 0.10 0.00 0.01 0.00 0.00 46.19 44.32 1lm0 s LEU 122 CO 0.18 -0.23 0.84 0.00 1.01 0.00 0.00 176.35 178.15 1lm0 s ALA 123 N 1.48 3.33 -0.33 4.21 0.00 0.05 -0.54 121.76 129.96 1lm0 s ALA 123 Ca 0.02 -2.21 -0.01 0.00 0.00 0.00 0.00 51.96 49.76 1lm0 s ALA 123 Cb -0.18 -3.70 0.11 0.00 0.00 0.00 0.00 23.12 19.35 1lm0 s ALA 123 CO 0.03 -2.56 0.13 0.00 0.00 0.00 0.00 175.76 173.36 1lm0 s ALA 124 N 3.05 1.44 -0.10 0.00 0.00 -1.14 -0.83 121.76 124.18 1lm0 s ALA 124 Ca 0.18 -1.74 0.14 0.00 0.00 0.00 0.00 51.96 50.53 1lm0 s ALA 124 Cb -0.19 -1.63 -0.05 0.00 0.00 0.00 0.00 23.12 21.25 1lm0 s ALA 124 CO 0.05 -1.76 1.20 0.00 0.00 0.00 0.00 175.76 175.25 1lm0 h THR 125 N 6.16 0.90 -2.30 0.00 1.03 -1.82 -3.42 112.91 113.46 1lm0 h THR 125 Ca -0.11 -2.38 -0.71 0.00 -0.01 0.00 0.00 66.41 63.20 1lm0 h THR 125 Cb 1.00 2.38 -0.18 0.00 -1.07 0.00 0.00 68.15 70.28 1lm0 h THR 125 CO 0.45 0.51 1.08 -1.61 -0.01 0.00 0.00 175.52 175.94 1lm0 s GLU 126 N -2.89 3.83 -0.16 0.00 2.02 -0.90 -4.95 118.70 115.65 1lm0 s GLU 126 Ca 0.01 -2.16 -0.13 0.00 0.02 0.00 0.00 54.97 52.71 1lm0 s GLU 126 Cb 0.08 -4.98 -0.05 0.00 0.10 0.00 0.00 34.13 29.28 1lm0 s GLU 126 CO 0.78 -1.77 0.27 0.14 0.02 0.00 0.00 175.26 174.70 1lm0 s VAL 127 N 2.14 5.32 -0.29 2.63 -7.23 -1.26 -0.18 120.40 121.52 1lm0 s VAL 127 Ca 0.37 0.49 0.03 0.00 -1.81 0.00 0.00 61.98 61.07 1lm0 s VAL 127 Cb -0.04 -3.60 0.07 0.00 0.56 0.00 0.00 36.38 33.37 1lm0 s VAL 127 CO -0.05 0.41 -0.05 -0.76 -0.31 0.00 0.00 175.10 174.34 1lm0 s LEU 128 N 0.36 3.89 -1.20 1.32 2.01 0.52 -4.99 118.68 120.59 1lm0 s LEU 128 Ca 0.15 -1.63 -0.08 0.00 0.01 0.00 0.00 54.13 52.59 1lm0 s LEU 128 Cb -0.13 -1.59 -0.04 0.00 0.01 0.00 0.00 46.19 44.44 1lm0 s LEU 128 CO 0.03 -0.26 2.88 0.00 1.01 0.00 0.00 176.35 180.02 1lm0 n ALA 129 N 4.39 7.09 -1.61 4.21 0.00 -1.26 -1.32 120.51 132.00 1lm0 n ALA 129 Ca -0.08 -3.40 -0.40 0.00 0.00 0.00 0.00 53.44 49.56 1lm0 n ALA 129 Cb 0.42 -2.94 -0.02 0.00 0.00 0.00 0.00 19.45 16.91 1lm0 n ALA 129 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1lm0 n LYS 130 N 2.65 3.84 -3.63 0.00 2.85 -1.26 -4.84 118.16 117.77 1lm0 n LYS 130 Ca 0.66 -2.68 -0.10 0.00 -1.05 0.00 0.00 58.31 55.15 1lm0 n LYS 130 Cb 0.36 -2.82 -0.02 0.00 -0.65 0.00 0.00 35.03 31.90 1lm0 n LYS 130 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1lm0 s HIS 131 N 1.27 -0.34 0.00 5.58 2.46 -1.26 -4.90 115.29 118.11 1lm0 s HIS 131 Ca 0.61 0.01 0.00 0.00 0.47 0.00 0.00 55.06 56.15 1lm0 s HIS 131 Cb 0.17 0.58 0.00 0.00 -0.13 0.00 0.00 32.58 33.20 1lm0 s HIS 131 CO -0.07 -1.00 0.00 -3.47 -2.47 0.00 0.00 174.74 167.73