#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lm0 n ASN 33 N 0.00 4.98 -4.75 -3.46 4.13 -1.26 -4.97 115.26 109.93 1lm0 n ASN 33 Ca 0.00 -2.92 -0.31 0.00 1.68 0.00 0.00 54.58 53.03 1lm0 n ASN 33 Cb 0.00 -1.57 0.11 0.00 -1.54 0.00 0.00 39.78 36.77 1lm0 n ASN 33 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 1lm0 s LEU 34 N 0.98 2.91 -0.13 3.41 -0.00 -1.26 -5.08 118.68 119.51 1lm0 s LEU 34 Ca 0.47 1.82 -0.06 0.00 -0.00 0.00 0.00 54.13 56.36 1lm0 s LEU 34 Cb 0.13 -4.45 0.05 0.00 -0.00 0.00 0.00 46.19 41.93 1lm0 s LEU 34 CO -0.06 -2.24 0.30 0.20 -0.00 0.00 0.00 176.35 174.56 1lm0 s ASN 35 N -3.32 -0.34 0.02 1.48 0.01 -1.26 -4.90 114.94 106.64 1lm0 s ASN 35 Ca 0.62 0.64 -0.26 0.00 -0.71 0.00 0.00 52.86 53.15 1lm0 s ASN 35 Cb -0.18 0.52 0.06 0.00 0.41 0.00 0.00 41.25 42.07 1lm0 s ASN 35 CO 0.56 -0.17 0.60 -1.48 -1.51 0.00 0.00 177.10 175.10 1lm0 s LEU 36 N 1.31 -0.42 -0.20 0.60 2.34 -1.26 -5.05 118.68 115.99 1lm0 s LEU 36 Ca -0.09 0.39 -0.03 0.00 0.06 0.00 0.00 54.13 54.45 1lm0 s LEU 36 Cb -0.10 2.39 -0.01 0.00 -0.56 0.00 0.00 46.19 47.91 1lm0 s LEU 36 CO -0.10 -0.71 -0.05 -0.36 -1.06 0.00 0.00 176.35 174.07 1lm0 s PHE 37 N -2.10 2.95 0.23 3.48 0.40 -1.26 -0.67 117.98 121.01 1lm0 s PHE 37 Ca -0.07 -0.79 0.04 0.00 -0.60 0.00 0.00 56.93 55.51 1lm0 s PHE 37 Cb -0.01 -2.06 -0.05 0.00 0.51 0.00 0.00 43.02 41.41 1lm0 s PHE 37 CO 0.02 -0.43 -0.03 0.71 0.70 0.00 0.00 175.22 176.18 1lm0 s TYR 38 N 1.19 1.63 0.27 0.36 2.02 -0.11 -4.96 117.35 117.75 1lm0 s TYR 38 Ca 0.02 -0.84 -0.18 0.00 -0.37 0.00 0.00 57.07 55.71 1lm0 s TYR 38 Cb -0.14 -0.92 -0.09 0.00 -0.40 0.00 0.00 41.96 40.40 1lm0 s TYR 38 CO -0.01 0.06 0.73 0.95 -1.57 0.00 0.00 175.55 175.72 1lm0 s THR 39 N -3.30 4.61 0.23 -0.71 -4.23 -1.26 -0.32 115.64 110.67 1lm0 s THR 39 Ca 0.27 1.14 -0.07 0.00 -1.18 0.00 0.00 61.69 61.86 1lm0 s THR 39 Cb 0.05 -3.75 0.20 0.00 1.34 0.00 0.00 72.50 70.33 1lm0 s THR 39 CO 0.09 0.03 1.85 1.55 -0.54 0.00 0.00 174.62 177.60 1lm0 h PRO 40 N 2.90 0.91 -0.06 3.99 0.13 -1.88 0.37 132.00 138.36 1lm0 h PRO 40 Ca -0.48 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1lm0 h PRO 40 Cb 1.18 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 1lm0 h PRO 40 CO 0.65 0.60 0.08 0.66 -0.23 0.00 0.00 178.00 179.77 1lm0 h SER 41 N 0.94 0.00 0.03 1.44 4.64 -1.83 -2.00 113.55 116.77 1lm0 h SER 41 Ca 0.35 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.53 1lm0 h SER 41 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1lm0 h SER 41 CO -0.16 0.00 -0.74 -0.08 -0.87 0.00 0.00 176.83 174.99 1lm0 h GLU 42 N 0.00 0.07 -1.78 4.77 4.81 -1.34 -3.39 114.58 117.72 1lm0 h GLU 42 Ca 0.03 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1lm0 h GLU 42 Cb 0.19 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1lm0 h GLU 42 CO -0.00 1.06 0.00 0.44 -0.73 0.00 0.00 179.01 179.78 1lm0 n ILE 43 N -4.38 1.36 0.00 2.32 -5.35 -0.42 -3.89 119.36 108.99 1lm0 n ILE 43 Ca -0.20 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 1lm0 n ILE 43 Cb 0.65 -1.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.30 1lm0 n ILE 43 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1lm0 n VAL 44 N 1.33 0.00 -1.56 7.28 0.24 -1.17 -4.07 118.33 120.38 1lm0 n VAL 44 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.91 1lm0 n VAL 44 Cb 0.39 -0.13 -0.04 0.00 -1.47 0.00 0.00 33.84 32.60 1lm0 n VAL 44 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1lm0 n ASN 45 N -0.29 2.55 -1.90 -1.34 3.02 -1.25 -2.41 115.26 113.63 1lm0 n ASN 45 Ca 0.00 -0.23 -0.11 0.00 -0.03 0.00 0.00 54.58 54.20 1lm0 n ASN 45 Cb 0.00 -1.55 0.03 0.00 -0.61 0.00 0.00 39.78 37.66 1lm0 n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lm0 n GLY 46 N 5.97 0.21 0.00 7.41 0.00 -1.26 -4.92 105.19 112.60 1lm0 n GLY 46 Ca 0.36 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.60 0.00 0.05 1.61 5.02 -1.01 -4.38 118.16 116.85 1lm0 n LYS 47 Ca -0.01 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.26 1lm0 n LYS 47 Cb 0.53 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.54 1lm0 n LYS 47 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1lm0 h THR 48 N 0.00 0.00 -0.75 -0.18 2.02 -1.70 0.72 112.91 113.02 1lm0 h THR 48 Ca 0.00 -0.09 0.11 0.00 0.77 0.00 0.00 66.41 67.20 1lm0 h THR 48 Cb 0.00 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.33 1lm0 h THR 48 CO 0.00 0.00 0.36 -0.78 0.37 0.00 0.00 175.52 175.47 1lm0 h ASP 49 N -0.23 0.45 1.51 4.18 3.58 -1.60 0.36 116.42 124.67 1lm0 h ASP 49 Ca -0.01 0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.46 1lm0 h ASP 49 Cb 0.10 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1lm0 h ASP 49 CO 0.02 0.24 -0.22 0.74 -2.88 0.00 0.00 179.24 177.14 1lm0 h THR 50 N 0.59 0.41 -5.42 2.25 2.02 -1.71 -3.48 112.91 107.59 1lm0 h THR 50 Ca 0.38 -1.40 -0.27 0.00 0.77 0.00 0.00 66.41 65.90 1lm0 h THR 50 Cb 0.46 2.05 0.18 0.00 -1.74 0.00 0.00 68.15 69.10 1lm0 h THR 50 CO -0.31 0.22 -0.80 0.61 0.37 0.00 0.00 175.52 175.61 1lm0 n GLY 51 N 0.84 -0.86 0.58 2.16 0.00 0.13 -4.90 105.19 103.13 1lm0 n GLY 51 Ca 0.02 0.41 -0.02 0.00 0.00 0.00 0.00 46.02 46.43 1lm0 n GLY 51 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1lm0 n VAL 52 N -3.44 0.79 -0.04 1.61 0.24 -0.63 -4.95 118.33 111.92 1lm0 n VAL 52 Ca -0.13 0.26 -0.00 0.00 -2.04 0.00 0.00 64.34 62.43 1lm0 n VAL 52 Cb 0.63 -1.65 -0.00 0.00 -1.47 0.00 0.00 33.84 31.35 1lm0 n VAL 52 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1lm0 h LYS 53 N -0.27 0.00 0.00 7.34 1.79 -1.76 -3.47 116.57 120.20 1lm0 h LYS 53 Ca 0.00 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.07 1lm0 h LYS 53 Cb 0.27 0.00 0.17 0.00 -1.58 0.00 0.00 32.23 31.09 1lm0 h LYS 53 CO 0.00 0.00 0.32 -0.35 -1.08 0.00 0.00 179.45 178.34 1lm0 n PRO 54 N -3.95 -1.73 -3.69 3.15 -0.04 -1.26 -5.12 135.00 122.36 1lm0 n PRO 54 Ca -0.00 -1.86 -0.14 0.00 -0.04 0.00 0.00 63.50 61.46 1lm0 n PRO 54 Cb 0.01 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.03 1lm0 n PRO 54 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1lm0 s GLU 55 N -5.63 0.81 0.98 0.54 2.12 -1.26 -4.79 118.70 111.46 1lm0 s GLU 55 Ca 0.70 -0.14 -0.13 0.00 0.36 0.00 0.00 54.97 55.76 1lm0 s GLU 55 Cb -0.03 0.37 0.10 0.00 0.26 0.00 0.00 34.13 34.83 1lm0 s GLU 55 CO 0.50 -0.24 0.64 0.00 -0.54 0.00 0.00 175.26 175.62 1lm0 n ALA 56 N 1.01 -2.26 -0.39 6.30 0.00 -1.26 -3.29 120.51 120.62 1lm0 n ALA 56 Ca -0.20 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1lm0 n ALA 56 Cb 0.57 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 1.13 2.15 3.80 0.00 0.00 -0.55 -4.96 105.19 106.77 1lm0 n GLY 57 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.01 4.41 -0.17 1.61 -0.21 -1.21 -4.74 119.66 119.34 1lm0 s GLN 58 Ca 0.00 1.13 -0.20 0.00 0.02 0.00 0.00 55.36 56.31 1lm0 s GLN 58 Cb 0.00 -2.74 -0.03 0.00 1.00 0.00 0.00 33.01 31.24 1lm0 s GLN 58 CO 0.00 0.27 0.57 0.50 -2.12 0.00 0.00 175.29 174.52 1lm0 s ARG 59 N -2.20 4.26 0.29 2.91 3.52 -1.26 -0.97 118.95 125.50 1lm0 s ARG 59 Ca 0.49 0.55 0.02 0.00 -0.13 0.00 0.00 55.73 56.66 1lm0 s ARG 59 Cb -0.16 -3.53 -0.03 0.00 -1.56 0.00 0.00 34.95 29.67 1lm0 s ARG 59 CO 0.21 -0.09 0.28 0.96 -0.81 0.00 0.00 175.30 175.85 1lm0 s ILE 60 N 1.42 0.00 -0.05 4.11 -4.36 -0.64 -4.74 121.20 116.95 1lm0 s ILE 60 Ca 0.28 -1.90 0.07 0.00 -0.26 0.00 0.00 60.65 58.84 1lm0 s ILE 60 Cb -0.16 -2.51 -0.01 0.00 1.25 0.00 0.00 42.46 41.03 1lm0 s ILE 60 CO 0.11 0.00 -0.25 -0.13 0.24 0.00 0.00 174.94 174.91 1lm0 s ARG 61 N -3.64 2.41 -0.20 0.37 0.52 0.15 -2.59 118.95 115.98 1lm0 s ARG 61 Ca 0.37 -0.91 -0.05 0.00 -0.52 0.00 0.00 55.73 54.62 1lm0 s ARG 61 Cb 0.03 -2.12 -0.03 0.00 0.52 0.00 0.00 34.95 33.35 1lm0 s ARG 61 CO 0.20 0.44 0.01 0.54 0.02 0.00 0.00 175.30 176.51 1lm0 s VAL 62 N -0.30 4.10 -0.20 3.52 0.11 0.62 -0.94 120.40 127.32 1lm0 s VAL 62 Ca 0.01 -0.26 -0.00 0.00 -2.93 0.00 0.00 61.98 58.79 1lm0 s VAL 62 Cb -0.13 -2.85 0.05 0.00 -1.53 0.00 0.00 36.38 31.92 1lm0 s VAL 62 CO 0.02 0.43 -0.05 -0.83 -3.33 0.00 0.00 175.10 171.35 1lm0 s GLY 63 N 0.89 1.08 0.03 6.54 0.00 0.57 -0.39 107.32 116.03 1lm0 s GLY 63 Ca 0.01 -1.04 -0.03 0.00 0.00 0.00 0.00 44.72 43.66 1lm0 s GLY 63 CO 0.02 0.98 0.15 0.61 0.00 0.00 0.00 173.10 174.86 1lm0 n GLY 64 N 4.80 1.26 3.79 0.20 0.00 -1.11 -4.12 105.19 110.03 1lm0 n GLY 64 Ca -0.12 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.01 4.27 0.23 1.61 0.23 -0.28 -1.85 119.30 121.51 1lm0 s MET 65 Ca 0.03 0.78 -0.09 0.00 -1.03 0.00 0.00 55.69 55.38 1lm0 s MET 65 Cb -0.00 -3.27 -0.07 0.00 -1.53 0.00 0.00 34.83 29.96 1lm0 s MET 65 CO 0.01 0.56 0.54 0.14 -2.03 0.00 0.00 175.02 174.24 1lm0 s VAL 66 N -0.87 4.95 0.11 5.16 -7.23 -0.30 -1.02 120.40 121.20 1lm0 s VAL 66 Ca 0.30 0.42 -0.14 0.00 -1.81 0.00 0.00 61.98 60.75 1lm0 s VAL 66 Cb -0.19 -3.63 -0.06 0.00 0.56 0.00 0.00 36.38 33.05 1lm0 s VAL 66 CO 0.19 -0.09 0.50 -0.89 -0.31 0.00 0.00 175.10 174.51 1lm0 s THR 67 N -1.83 4.92 0.06 5.32 2.01 -1.26 -4.15 115.64 120.71 1lm0 s THR 67 Ca 0.47 0.79 -0.37 0.00 0.31 0.00 0.00 61.69 62.89 1lm0 s THR 67 Cb -0.11 -3.73 -0.20 0.00 0.01 0.00 0.00 72.50 68.47 1lm0 s THR 67 CO 0.22 0.32 1.58 1.62 -0.69 0.00 0.00 174.62 177.67 1lm0 h VAL 68 N 2.99 0.05 0.00 3.82 3.04 -1.94 -3.26 116.25 120.96 1lm0 h VAL 68 Ca -0.49 0.00 -0.66 0.00 -1.01 0.00 0.00 66.70 64.54 1lm0 h VAL 68 Cb 1.20 0.05 -0.00 0.00 -2.01 0.00 0.00 31.29 30.53 1lm0 h VAL 68 CO 0.65 0.00 3.09 0.61 -1.01 0.00 0.00 177.57 180.92 1lm0 n GLY 69 N -1.64 3.91 0.00 3.17 0.00 -1.26 -3.73 105.19 105.64 1lm0 n GLY 69 Ca -0.16 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1lm0 n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1lm0 n SER 70 N 5.61 0.00 -4.64 1.61 7.64 -1.23 -5.04 113.62 117.57 1lm0 n SER 70 Ca 0.57 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 60.03 1lm0 n SER 70 Cb 0.33 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.50 1lm0 n SER 70 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1lm0 s MET 71 N -1.00 3.86 -0.12 1.43 1.75 -1.24 -3.86 119.30 120.11 1lm0 s MET 71 Ca 0.00 2.45 0.02 0.00 -1.25 0.00 0.00 55.69 56.92 1lm0 s MET 71 Cb 0.00 -4.22 0.01 0.00 2.84 0.00 0.00 34.83 33.46 1lm0 s MET 71 CO 0.00 -1.28 -0.18 0.14 -0.65 0.00 0.00 175.02 173.05 1lm0 s VAL 72 N 5.55 1.72 0.05 10.11 -7.23 0.10 -5.01 120.40 125.70 1lm0 s VAL 72 Ca 0.92 -0.78 0.04 0.00 -1.81 0.00 0.00 61.98 60.35 1lm0 s VAL 72 Cb -0.40 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 1lm0 s VAL 72 CO 0.40 0.48 -0.03 0.00 -0.31 0.00 0.00 175.10 175.65 1lm0 s ARG 73 N 0.90 2.56 0.77 4.82 1.70 -1.26 -0.88 118.95 127.56 1lm0 s ARG 73 Ca -0.07 -0.78 -0.11 0.00 -0.47 0.00 0.00 55.73 54.30 1lm0 s ARG 73 Cb -0.15 -2.54 0.06 0.00 -0.57 0.00 0.00 34.95 31.75 1lm0 s ARG 73 CO -0.01 0.57 1.08 -0.51 -1.08 0.00 0.00 175.30 175.35 1lm0 s ASP 74 N -1.93 4.60 0.35 -2.89 1.01 -0.43 -4.95 116.67 112.44 1lm0 s ASP 74 Ca 0.22 1.60 0.05 0.00 0.71 0.00 0.00 52.55 55.13 1lm0 s ASP 74 Cb -0.11 -2.36 0.63 0.00 1.01 0.00 0.00 42.92 42.09 1lm0 s ASP 74 CO 0.14 -1.94 1.89 1.55 0.21 0.00 0.00 175.17 177.02 1lm0 h PRO 75 N -1.06 0.50 -0.96 8.23 0.13 -2.00 -2.98 132.00 133.86 1lm0 h PRO 75 Ca -0.45 -0.10 0.24 0.00 -0.87 0.00 0.00 66.00 64.82 1lm0 h PRO 75 Cb 1.24 -0.08 -0.18 0.00 0.13 0.00 0.00 31.00 32.12 1lm0 h PRO 75 CO 0.55 0.52 -0.02 -0.91 -0.23 0.00 0.00 178.00 177.91 1lm0 h ASN 76 N 0.48 -0.54 0.00 1.44 2.35 -1.92 -3.45 115.58 113.94 1lm0 h ASN 76 Ca 0.11 0.27 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 1lm0 h ASN 76 Cb 0.31 0.49 0.00 0.00 0.05 0.00 0.00 38.32 39.17 1lm0 h ASN 76 CO 0.01 -0.33 0.00 -1.20 -1.65 0.00 0.00 177.43 174.26 1lm0 n SER 77 N -5.49 -2.90 0.00 5.81 7.64 -1.13 -4.87 113.62 112.68 1lm0 n SER 77 Ca 0.21 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1lm0 n SER 77 Cb 0.67 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 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 0.31 -4.20 -3.43 -0.00 -1.26 -4.29 117.00 104.12 1lm0 n LEU 78 Ca 0.00 -0.65 -0.28 0.00 -0.00 0.00 0.00 56.01 55.08 1lm0 n LEU 78 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.26 1lm0 n LEU 78 CO 0.00 0.08 -0.53 -1.00 -0.00 0.00 0.00 177.39 175.94 1lm0 s HIS 79 N -0.69 2.00 -0.17 1.47 3.76 -1.26 -0.72 115.29 119.69 1lm0 s HIS 79 Ca 0.00 -0.53 -0.10 0.00 -0.15 0.00 0.00 55.06 54.28 1lm0 s HIS 79 Cb 0.00 -1.32 0.06 0.00 1.11 0.00 0.00 32.58 32.43 1lm0 s HIS 79 CO 0.00 -0.14 0.41 0.14 -0.85 0.00 0.00 174.74 174.30 1lm0 s VAL 80 N -0.18 -0.02 0.07 -0.90 -7.23 -0.26 -1.31 120.40 110.56 1lm0 s VAL 80 Ca -0.00 0.08 0.02 0.00 -1.81 0.00 0.00 61.98 60.27 1lm0 s VAL 80 Cb -0.11 -0.61 -0.03 0.00 0.56 0.00 0.00 36.38 36.18 1lm0 s VAL 80 CO 0.02 0.03 -0.07 0.00 -0.31 0.00 0.00 175.10 174.77 1lm0 s GLN 81 N 1.28 0.67 -0.14 4.82 -2.07 -0.06 0.21 119.66 124.36 1lm0 s GLN 81 Ca -0.09 -1.01 -0.12 0.00 -1.82 0.00 0.00 55.36 52.32 1lm0 s GLN 81 Cb -0.08 -0.27 0.04 0.00 -1.09 0.00 0.00 33.01 31.62 1lm0 s GLN 81 CO -0.11 0.02 0.37 -0.59 -1.32 0.00 0.00 175.29 173.66 1lm0 s PHE 82 N -2.35 -0.42 0.11 9.60 -0.71 0.24 -0.72 117.98 123.74 1lm0 s PHE 82 Ca -0.00 1.01 -0.27 0.00 -1.04 0.00 0.00 56.93 56.63 1lm0 s PHE 82 Cb -0.03 0.15 -0.07 0.00 -1.21 0.00 0.00 43.02 41.86 1lm0 s PHE 82 CO -0.02 -0.21 0.83 0.00 -1.34 0.00 0.00 175.22 174.48 1lm0 s ALA 83 N 0.35 3.36 0.07 1.99 0.00 -1.25 -0.61 121.76 125.67 1lm0 s ALA 83 Ca -0.01 0.40 0.06 0.00 0.00 0.00 0.00 51.96 52.40 1lm0 s ALA 83 Cb -0.03 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 1lm0 s ALA 83 CO -0.01 0.12 -0.15 0.14 0.00 0.00 0.00 175.76 175.86 1lm0 s VAL 84 N -0.45 1.22 0.35 0.00 -7.23 0.05 -3.98 120.40 110.36 1lm0 s VAL 84 Ca 0.40 -1.31 -0.09 0.00 -1.81 0.00 0.00 61.98 59.16 1lm0 s VAL 84 Cb -0.22 -1.15 0.02 0.00 0.56 0.00 0.00 36.38 35.59 1lm0 s VAL 84 CO 0.26 -0.17 0.61 -1.38 -0.31 0.00 0.00 175.10 174.11 1lm0 s HIS 85 N -1.21 0.59 -0.07 2.82 -3.43 -0.19 -0.70 115.29 113.11 1lm0 s HIS 85 Ca -0.00 -1.02 -0.26 0.00 -0.80 0.00 0.00 55.06 52.98 1lm0 s HIS 85 Cb -0.10 0.32 0.06 0.00 -1.43 0.00 0.00 32.58 31.43 1lm0 s HIS 85 CO 0.02 -1.30 0.59 0.34 -2.00 0.00 0.00 174.74 172.40 1lm0 s ASP 86 N -3.14 -0.55 0.00 7.38 2.15 -1.16 -1.12 116.67 120.22 1lm0 s ASP 86 Ca 0.23 0.65 0.00 0.00 0.43 0.00 0.00 52.55 53.86 1lm0 s ASP 86 Cb -0.02 0.58 0.00 0.00 -0.30 0.00 0.00 42.92 43.18 1lm0 s ASP 86 CO 0.15 -0.52 0.00 -1.20 -0.17 0.00 0.00 175.17 173.43 1lm0 n SER 87 N 1.23 0.00 0.00 -0.34 7.64 -1.26 -0.88 113.62 120.01 1lm0 n SER 87 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1lm0 n SER 87 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1lm0 n SER 87 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1lm0 n LEU 88 N -0.06 0.00 0.28 -3.43 7.99 -1.26 -4.71 117.00 115.81 1lm0 n LEU 88 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 56.01 56.13 1lm0 n LEU 88 Cb 0.00 0.00 0.81 0.00 -0.11 0.00 0.00 43.42 44.12 1lm0 n LEU 88 CO 0.00 0.00 1.05 1.23 -1.51 0.00 0.00 177.39 178.16 1lm0 h GLY 89 N 0.00 0.00 0.00 -0.72 0.00 -1.35 -3.46 103.07 97.54 1lm0 h GLY 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1lm0 h GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1lm0 n GLY 90 N -1.03 0.19 2.91 4.60 0.00 -1.24 -4.86 105.19 105.76 1lm0 n GLY 90 Ca -0.02 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.00 0.16 0.02 1.61 2.12 -1.26 -3.00 118.70 116.35 1lm0 s GLU 91 Ca 0.00 -0.14 -0.01 0.00 0.36 0.00 0.00 54.97 55.18 1lm0 s GLU 91 Cb 0.00 -0.10 -0.02 0.00 0.26 0.00 0.00 34.13 34.27 1lm0 s GLU 91 CO 0.00 0.02 -0.00 -1.50 -0.54 0.00 0.00 175.26 173.24 1lm0 s ILE 92 N -0.24 0.12 -0.23 -3.70 1.10 0.12 -4.98 121.20 113.39 1lm0 s ILE 92 Ca -0.02 -0.98 -0.17 0.00 -0.51 0.00 0.00 60.65 58.98 1lm0 s ILE 92 Cb -0.02 -0.44 -0.03 0.00 0.15 0.00 0.00 42.46 42.12 1lm0 s ILE 92 CO -0.00 -0.54 0.47 -0.76 -2.11 0.00 0.00 174.94 172.00 1lm0 s LEU 93 N -1.63 4.10 -0.27 8.50 1.43 -1.26 -0.77 118.68 128.78 1lm0 s LEU 93 Ca -0.13 0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 53.39 1lm0 s LEU 93 Cb -0.08 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.50 1lm0 s LEU 93 CO -0.02 -0.20 0.15 -0.69 0.23 0.00 0.00 176.35 175.83 1lm0 s VAL 94 N 1.88 4.93 0.02 -1.59 1.01 0.22 -1.18 120.40 125.69 1lm0 s VAL 94 Ca 0.20 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 1lm0 s VAL 94 Cb -0.15 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1lm0 s VAL 94 CO 0.09 0.26 0.21 0.42 0.00 0.00 0.00 175.10 176.08 1lm0 s THR 95 N 1.70 5.39 0.10 3.92 -4.23 0.46 -0.59 115.64 122.40 1lm0 s THR 95 Ca 0.07 -0.18 -0.09 0.00 -1.18 0.00 0.00 61.69 60.31 1lm0 s THR 95 Cb -0.16 -3.58 -0.00 0.00 1.34 0.00 0.00 72.50 70.11 1lm0 s THR 95 CO 0.08 0.26 0.21 -0.47 -0.54 0.00 0.00 174.62 174.16 1lm0 s TYR 96 N -1.40 0.17 0.02 3.99 6.14 0.13 -0.73 117.35 125.68 1lm0 s TYR 96 Ca 0.30 -0.59 -0.12 0.00 0.64 0.00 0.00 57.07 57.31 1lm0 s TYR 96 Cb -0.13 -0.05 0.01 0.00 0.42 0.00 0.00 41.96 42.22 1lm0 s TYR 96 CO 0.22 -0.58 0.24 0.16 0.64 0.00 0.00 175.55 176.23 1lm0 s ASP 97 N -2.88 -0.07 -0.85 4.32 -4.77 -1.26 -1.10 116.67 110.07 1lm0 s ASP 97 Ca 0.07 -0.18 -0.03 0.00 -3.30 0.00 0.00 52.55 49.10 1lm0 s ASP 97 Cb 0.04 0.30 -0.03 0.00 -1.09 0.00 0.00 42.92 42.14 1lm0 s ASP 97 CO -0.09 -0.52 0.77 0.47 0.70 0.00 0.00 175.17 176.50 1lm0 n ASP 98 N 0.92 -6.93 0.00 2.11 9.92 0.11 -4.78 116.55 117.90 1lm0 n ASP 98 Ca -0.20 -0.38 0.00 0.00 -0.53 0.00 0.00 54.79 53.68 1lm0 n ASP 98 Cb 0.58 -5.02 0.00 0.00 -0.64 0.00 0.00 41.12 36.04 1lm0 n ASP 98 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1lm0 n LEU 99 N -2.46 0.00 -3.55 0.64 4.32 -1.26 -4.87 117.00 109.82 1lm0 n LEU 99 Ca -0.03 0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.78 1lm0 n LEU 99 Cb 0.56 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.30 1lm0 n LEU 99 CO 0.53 0.00 0.39 -0.76 -1.22 0.00 0.00 177.39 176.33 1lm0 s LEU 100 N 0.00 -0.48 0.13 2.23 1.43 -1.26 -4.87 118.68 115.86 1lm0 s LEU 100 Ca 0.00 0.66 -0.31 0.00 -1.03 0.00 0.00 54.13 53.45 1lm0 s LEU 100 Cb 0.00 2.39 -0.09 0.00 0.03 0.00 0.00 46.19 48.52 1lm0 s LEU 100 CO 0.00 -0.58 1.46 -2.16 0.23 0.00 0.00 176.35 175.30 1lm0 s PRO 101 N -1.17 4.28 -0.23 1.29 0.04 -1.26 -3.91 135.00 134.03 1lm0 s PRO 101 Ca -0.11 2.18 -0.02 0.00 0.04 0.00 0.00 61.00 63.09 1lm0 s PRO 101 Cb -0.01 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1lm0 s PRO 101 CO 0.09 -0.51 0.04 -0.25 0.04 0.00 0.00 177.00 176.42 1lm0 n ASP 102 N 4.04 -0.15 -3.74 6.66 9.92 -1.26 -0.75 116.55 131.26 1lm0 n ASP 102 Ca 0.12 -0.21 -0.30 0.00 -0.53 0.00 0.00 54.79 53.87 1lm0 n ASP 102 Cb 0.41 -0.26 -0.06 0.00 -0.64 0.00 0.00 41.12 40.58 1lm0 n ASP 102 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1lm0 n LEU 103 N -1.59 -0.58 -2.80 0.64 -0.00 -1.25 -2.82 117.00 108.59 1lm0 n LEU 103 Ca -0.04 -0.81 -0.20 0.00 -0.00 0.00 0.00 56.01 54.97 1lm0 n LEU 103 Cb 0.11 -1.25 0.02 0.00 -0.00 0.00 0.00 43.42 42.30 1lm0 n LEU 103 CO 0.13 0.07 -0.28 2.22 -0.00 0.00 0.00 177.39 179.54 1lm0 n PHE 104 N -3.24 -1.32 -1.76 1.47 -1.74 0.07 -4.00 117.46 106.94 1lm0 n PHE 104 Ca 0.08 0.55 -0.42 0.00 -0.56 0.00 0.00 57.45 57.10 1lm0 n PHE 104 Cb 0.38 -1.13 -0.03 0.00 1.52 0.00 0.00 39.48 40.22 1lm0 n PHE 104 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1lm0 s ARG 105 N -1.48 3.80 0.80 3.97 0.52 -1.13 -4.72 118.95 120.71 1lm0 s ARG 105 Ca 0.19 2.25 -0.12 0.00 -0.52 0.00 0.00 55.73 57.53 1lm0 s ARG 105 Cb -0.02 -4.19 0.07 0.00 0.52 0.00 0.00 34.95 31.34 1lm0 s ARG 105 CO 0.43 -1.33 1.13 -1.21 0.02 0.00 0.00 175.30 174.33 1lm0 s GLU 106 N 5.00 2.04 -0.54 3.54 8.01 -1.26 -4.04 118.70 131.45 1lm0 s GLU 106 Ca 0.88 0.38 -0.03 0.00 0.01 0.00 0.00 54.97 56.20 1lm0 s GLU 106 Cb -0.36 -1.93 0.00 0.00 -4.31 0.00 0.00 34.13 27.53 1lm0 s GLU 106 CO 0.37 -1.60 0.47 0.41 0.01 0.00 0.00 175.26 174.92 1lm0 n GLY 107 N -2.66 0.33 3.54 -1.39 0.00 -1.26 -4.93 105.19 98.81 1lm0 n GLY 107 Ca 0.07 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 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 -5.43 1.95 -0.04 1.61 -2.07 -1.26 -5.01 119.66 109.42 1lm0 s GLN 108 Ca 0.21 -1.70 -0.16 0.00 -1.82 0.00 0.00 55.36 51.89 1lm0 s GLN 108 Cb -0.09 0.47 -0.05 0.00 -1.09 0.00 0.00 33.01 32.24 1lm0 s GLN 108 CO 0.29 -0.83 0.43 0.20 -1.32 0.00 0.00 175.29 174.07 1lm0 s GLY 109 N -3.21 2.44 0.04 2.60 0.00 -1.26 -1.16 107.32 106.78 1lm0 s GLY 109 Ca 0.28 -0.21 -0.00 0.00 0.00 0.00 0.00 44.72 44.79 1lm0 s GLY 109 CO 0.19 0.37 -0.04 -0.26 0.00 0.00 0.00 173.10 173.36 1lm0 s ILE 110 N -0.45 0.24 -0.22 0.90 -5.25 -0.77 -4.53 121.20 111.12 1lm0 s ILE 110 Ca 0.24 -1.36 -0.05 0.00 -0.99 0.00 0.00 60.65 58.49 1lm0 s ILE 110 Cb -0.16 -0.90 -0.01 0.00 2.95 0.00 0.00 42.46 44.33 1lm0 s ILE 110 CO 0.12 -0.72 -0.02 0.68 -1.79 0.00 0.00 174.94 173.22 1lm0 s VAL 111 N -2.59 3.64 0.12 8.37 -7.23 -0.91 -2.73 120.40 119.06 1lm0 s VAL 111 Ca -0.04 -0.41 0.08 0.00 -1.81 0.00 0.00 61.98 59.80 1lm0 s VAL 111 Cb -0.02 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 1lm0 s VAL 111 CO -0.05 0.41 -0.12 0.00 -0.31 0.00 0.00 175.10 175.03 1lm0 s ALA 112 N 1.41 2.89 0.05 1.32 0.00 0.47 -0.49 121.76 127.41 1lm0 s ALA 112 Ca 0.05 -1.31 -0.14 0.00 0.00 0.00 0.00 51.96 50.56 1lm0 s ALA 112 Cb -0.14 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.19 1lm0 s ALA 112 CO -0.01 0.60 0.30 1.14 0.00 0.00 0.00 175.76 177.79 1lm0 s GLN 113 N -2.31 0.81 0.00 0.00 -2.07 0.62 -0.28 119.66 116.43 1lm0 s GLN 113 Ca 0.21 -0.51 0.00 0.00 -1.82 0.00 0.00 55.36 53.24 1lm0 s GLN 113 Cb -0.11 0.35 0.00 0.00 -1.09 0.00 0.00 33.01 32.17 1lm0 s GLN 113 CO 0.13 -0.26 0.00 0.41 -1.32 0.00 0.00 175.29 174.25 1lm0 n GLY 114 N 0.56 -0.54 3.15 2.60 0.00 -1.07 -0.65 105.19 109.24 1lm0 n GLY 114 Ca -0.18 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.15 1.12 0.04 1.61 0.11 0.26 -1.62 120.40 121.78 1lm0 s VAL 115 Ca 0.00 -1.01 -0.30 0.00 -2.93 0.00 0.00 61.98 57.74 1lm0 s VAL 115 Cb 0.00 -1.02 -0.07 0.00 -1.53 0.00 0.00 36.38 33.76 1lm0 s VAL 115 CO 0.00 0.00 1.60 -0.76 -3.33 0.00 0.00 175.10 172.62 1lm0 s LEU 116 N -1.15 4.35 -0.14 2.54 2.01 -0.14 -0.30 118.68 125.84 1lm0 s LEU 116 Ca 0.02 2.37 -0.02 0.00 0.01 0.00 0.00 54.13 56.50 1lm0 s LEU 116 Cb -0.08 -3.56 -0.02 0.00 0.01 0.00 0.00 46.19 42.54 1lm0 s LEU 116 CO 0.01 -0.86 -0.07 -0.83 1.01 0.00 0.00 176.35 175.62 1lm0 s GLY 117 N 2.44 1.67 -1.76 -3.19 0.00 0.78 -1.48 107.32 105.78 1lm0 s GLY 117 Ca 0.72 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.60 1lm0 s GLY 117 CO 0.31 -0.13 0.00 -2.21 0.00 0.00 0.00 173.10 171.06 1lm0 n GLU 118 N 3.46 -1.63 -4.36 2.90 2.13 -1.26 -0.34 120.64 121.55 1lm0 n GLU 118 Ca -0.18 1.00 -0.39 0.00 0.66 0.00 0.00 57.16 58.25 1lm0 n GLU 118 Cb 0.53 -5.62 -0.07 0.00 0.27 0.00 0.00 31.44 26.54 1lm0 n GLU 118 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1lm0 n ASP 119 N -1.89 -1.98 0.20 4.31 8.00 -1.26 -4.51 116.55 119.42 1lm0 n ASP 119 Ca -0.24 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.17 1lm0 n ASP 119 Cb 0.68 -1.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 1lm0 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lm0 n GLY 120 N -1.06 -1.82 3.70 0.44 0.00 -0.14 -3.56 105.19 102.75 1lm0 n GLY 120 Ca 0.11 0.38 -0.41 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.80 4.42 -0.52 1.61 3.01 0.54 -4.55 119.74 122.44 1lm0 s LYS 121 Ca 0.00 1.13 -0.24 0.00 -1.01 0.00 0.00 55.97 55.85 1lm0 s LYS 121 Cb 0.00 -3.50 0.04 0.00 -1.01 0.00 0.00 37.83 33.35 1lm0 s LYS 121 CO 0.00 -0.14 0.92 -0.51 0.51 0.00 0.00 175.35 176.12 1lm0 s LEU 122 N 1.45 4.11 -1.13 3.17 2.01 -0.33 -0.16 118.68 127.80 1lm0 s LEU 122 Ca 0.43 -0.21 -0.19 0.00 0.01 0.00 0.00 54.13 54.17 1lm0 s LEU 122 Cb -0.18 -2.93 0.10 0.00 0.01 0.00 0.00 46.19 43.18 1lm0 s LEU 122 CO 0.19 -1.14 1.48 0.00 1.01 0.00 0.00 176.35 177.88 1lm0 s ALA 123 N 3.81 3.30 0.03 4.21 0.00 0.58 -0.40 121.76 133.29 1lm0 s ALA 123 Ca 0.32 -2.80 -0.07 0.00 0.00 0.00 0.00 51.96 49.40 1lm0 s ALA 123 Cb -0.12 -4.39 -0.05 0.00 0.00 0.00 0.00 23.12 18.56 1lm0 s ALA 123 CO 0.21 -3.22 0.30 0.00 0.00 0.00 0.00 175.76 173.06 1lm0 s ALA 124 N 3.59 3.82 0.00 0.00 0.00 0.09 -0.57 121.76 128.68 1lm0 s ALA 124 Ca 0.45 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.89 1lm0 s ALA 124 Cb -0.00 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 21.00 1lm0 s ALA 124 CO -0.02 0.63 0.53 -2.37 0.00 0.00 0.00 175.76 174.53 1lm0 n THR 125 N 1.07 0.10 -3.83 0.00 5.66 0.18 -3.91 114.28 113.55 1lm0 n THR 125 Ca -0.10 -0.10 -0.25 0.00 -3.05 0.00 0.00 64.05 60.55 1lm0 n THR 125 Cb 0.53 0.99 -0.17 0.00 -1.55 0.00 0.00 70.33 70.12 1lm0 n THR 125 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1lm0 s GLU 126 N -0.10 0.99 -0.08 1.09 2.12 -0.94 -4.98 118.70 116.80 1lm0 s GLU 126 Ca 0.00 -0.06 0.04 0.00 0.36 0.00 0.00 54.97 55.31 1lm0 s GLU 126 Cb 0.00 -1.27 0.00 0.00 0.26 0.00 0.00 34.13 33.13 1lm0 s GLU 126 CO 0.00 -0.30 -0.20 0.14 -0.54 0.00 0.00 175.26 174.36 1lm0 s VAL 127 N 1.86 1.70 -0.34 3.70 -7.23 -1.26 -0.28 120.40 118.55 1lm0 s VAL 127 Ca 0.05 -0.82 -0.00 0.00 -1.81 0.00 0.00 61.98 59.39 1lm0 s VAL 127 Cb -0.13 -1.48 0.08 0.00 0.56 0.00 0.00 36.38 35.42 1lm0 s VAL 127 CO -0.07 0.48 0.07 -0.76 -0.31 0.00 0.00 175.10 174.51 1lm0 s LEU 128 N 0.33 4.50 -0.98 1.32 2.01 0.36 -4.91 118.68 121.32 1lm0 s LEU 128 Ca -0.14 -1.74 -0.07 0.00 0.01 0.00 0.00 54.13 52.19 1lm0 s LEU 128 Cb -0.16 -1.72 -0.06 0.00 0.01 0.00 0.00 46.19 44.26 1lm0 s LEU 128 CO 0.06 -0.38 2.96 0.00 1.01 0.00 0.00 176.35 180.00 1lm0 n ALA 129 N 4.51 6.93 -1.21 4.21 0.00 -1.26 -2.14 120.51 131.56 1lm0 n ALA 129 Ca -0.06 -3.18 -0.35 0.00 0.00 0.00 0.00 53.44 49.85 1lm0 n ALA 129 Cb 0.42 -2.78 -0.03 0.00 0.00 0.00 0.00 19.45 17.06 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 2.45 3.23 -2.58 0.00 2.85 -1.26 -4.53 118.16 118.31 1lm0 n LYS 130 Ca 0.62 -2.05 -0.14 0.00 -1.05 0.00 0.00 58.31 55.68 1lm0 n LYS 130 Cb 0.45 -2.76 0.02 0.00 -0.65 0.00 0.00 35.03 32.10 1lm0 n LYS 130 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1lm0 n HIS 131 N 3.99 1.94 0.00 5.58 -0.00 -1.26 -5.03 115.22 120.43 1lm0 n HIS 131 Ca 0.69 -2.75 0.00 0.00 0.46 0.00 0.00 57.72 56.11 1lm0 n HIS 131 Cb 0.22 -0.27 0.00 0.00 -0.12 0.00 0.00 29.99 29.82 1lm0 n HIS 131 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55