#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lm0 s ASN 33 N 0.00 7.16 1.14 -3.46 0.01 -1.26 -5.04 114.94 113.48 1lm0 s ASN 33 Ca 0.00 1.68 -0.15 0.00 -0.71 0.00 0.00 52.86 53.68 1lm0 s ASN 33 Cb 0.00 -2.56 0.26 0.00 0.41 0.00 0.00 41.25 39.36 1lm0 s ASN 33 CO 0.00 -0.50 1.07 -0.76 -1.51 0.00 0.00 177.10 175.40 1lm0 s LEU 34 N 2.01 0.88 -0.28 0.60 1.02 -1.26 -5.08 118.68 116.57 1lm0 s LEU 34 Ca 0.52 1.04 -0.03 0.00 0.02 0.00 0.00 54.13 55.69 1lm0 s LEU 34 Cb -0.22 -2.96 0.17 0.00 0.02 0.00 0.00 46.19 43.20 1lm0 s LEU 34 CO 0.21 -3.87 0.55 0.54 0.02 0.00 0.00 176.35 173.79 1lm0 s ASN 35 N -3.37 -0.94 -0.03 2.29 4.22 -1.26 -4.76 114.94 111.09 1lm0 s ASN 35 Ca 0.68 0.82 -0.17 0.00 -2.14 0.00 0.00 52.86 52.05 1lm0 s ASN 35 Cb -0.17 1.91 0.03 0.00 1.28 0.00 0.00 41.25 44.30 1lm0 s ASN 35 CO 0.59 -0.26 0.37 -1.48 -2.04 0.00 0.00 177.10 174.27 1lm0 s LEU 36 N 2.78 0.60 -0.22 3.54 2.34 -1.26 -5.00 118.68 121.46 1lm0 s LEU 36 Ca 0.15 0.24 -0.11 0.00 0.06 0.00 0.00 54.13 54.47 1lm0 s LEU 36 Cb -0.15 1.46 -0.05 0.00 -0.56 0.00 0.00 46.19 46.90 1lm0 s LEU 36 CO -0.19 -0.44 0.20 -0.36 -1.06 0.00 0.00 176.35 174.49 1lm0 s PHE 37 N -1.17 3.34 0.08 3.48 0.08 -1.26 -0.18 117.98 122.36 1lm0 s PHE 37 Ca -0.12 0.31 0.04 0.00 0.12 0.00 0.00 56.93 57.28 1lm0 s PHE 37 Cb -0.04 -2.29 -0.03 0.00 -0.57 0.00 0.00 43.02 40.08 1lm0 s PHE 37 CO 0.05 0.10 -0.10 0.71 -0.10 0.00 0.00 175.22 175.87 1lm0 s TYR 38 N 0.96 1.02 0.09 0.36 1.51 0.52 -4.94 117.35 116.87 1lm0 s TYR 38 Ca 0.10 -0.62 -0.30 0.00 -1.01 0.00 0.00 57.07 55.24 1lm0 s TYR 38 Cb -0.13 -0.56 -0.06 0.00 -0.11 0.00 0.00 41.96 41.09 1lm0 s TYR 38 CO 0.04 -0.01 1.20 0.99 -1.11 0.00 0.00 175.55 176.66 1lm0 s THR 39 N -2.17 3.91 0.12 -0.71 2.01 -1.26 -0.63 115.64 116.90 1lm0 s THR 39 Ca 0.02 1.43 -0.23 0.00 0.31 0.00 0.00 61.69 63.21 1lm0 s THR 39 Cb -0.05 -3.91 -0.06 0.00 0.01 0.00 0.00 72.50 68.49 1lm0 s THR 39 CO 0.00 0.14 1.68 1.55 -0.69 0.00 0.00 174.62 177.30 1lm0 h PRO 40 N 6.40 -0.22 -0.84 4.92 0.13 -1.87 -2.02 132.00 138.51 1lm0 h PRO 40 Ca -0.42 0.01 0.15 0.00 -0.87 0.00 0.00 66.00 64.87 1lm0 h PRO 40 Cb 1.21 0.05 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 1lm0 h PRO 40 CO 0.80 -0.14 0.55 0.77 -0.23 0.00 0.00 178.00 179.74 1lm0 h SER 41 N -0.22 0.53 0.74 1.44 0.02 -1.84 -1.02 113.55 113.20 1lm0 h SER 41 Ca 0.06 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1lm0 h SER 41 Cb 0.30 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.78 1lm0 h SER 41 CO -0.16 0.27 -0.36 -0.08 -1.14 0.00 0.00 176.83 175.36 1lm0 h GLU 42 N 0.56 -0.96 -1.59 3.45 4.81 -1.73 -3.21 114.58 115.92 1lm0 h GLU 42 Ca 0.42 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.72 1lm0 h GLU 42 Cb 0.81 0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1lm0 h GLU 42 CO -0.17 -0.62 0.00 0.44 -0.73 0.00 0.00 179.01 177.93 1lm0 n ILE 43 N -5.47 0.76 0.00 2.32 -5.35 -0.40 -2.84 119.36 108.39 1lm0 n ILE 43 Ca -0.14 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1lm0 n ILE 43 Cb 0.41 -0.94 0.00 0.00 -1.74 0.00 0.00 39.64 37.36 1lm0 n ILE 43 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1lm0 n VAL 44 N 1.01 0.00 -1.78 7.28 0.31 -1.14 -4.08 118.33 119.92 1lm0 n VAL 44 Ca 0.00 0.07 -0.38 0.00 -0.01 0.00 0.00 64.34 64.02 1lm0 n VAL 44 Cb 0.29 -0.88 -0.03 0.00 -0.91 0.00 0.00 33.84 32.31 1lm0 n VAL 44 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1lm0 s ASN 45 N -1.53 4.91 -0.49 4.52 0.01 -1.13 -1.91 114.94 119.32 1lm0 s ASN 45 Ca 0.00 0.86 -0.03 0.00 -0.71 0.00 0.00 52.86 52.98 1lm0 s ASN 45 Cb 0.00 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.15 1lm0 s ASN 45 CO 0.00 -2.56 0.43 0.61 -1.51 0.00 0.00 177.10 174.07 1lm0 n GLY 46 N 5.83 0.41 0.00 0.66 0.00 -1.26 -4.97 105.19 105.86 1lm0 n GLY 46 Ca 0.29 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.14 0.00 0.05 1.61 4.01 -0.80 -4.41 118.16 116.48 1lm0 n LYS 47 Ca 0.00 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.69 1lm0 n LYS 47 Cb 0.52 0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 34.96 1lm0 n LYS 47 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1lm0 h THR 48 N 0.00 0.92 -0.68 -0.18 1.03 -1.71 -0.36 112.91 111.92 1lm0 h THR 48 Ca 0.00 -1.12 0.15 0.00 -0.01 0.00 0.00 66.41 65.42 1lm0 h THR 48 Cb 0.00 1.52 -0.12 0.00 -1.07 0.00 0.00 68.15 68.48 1lm0 h THR 48 CO 0.00 0.23 -0.06 -0.78 -0.01 0.00 0.00 175.52 174.90 1lm0 h ASP 49 N -0.82 -0.43 0.09 0.00 1.82 -1.81 0.42 116.42 115.69 1lm0 h ASP 49 Ca -0.02 0.19 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1lm0 h ASP 49 Cb 0.53 0.35 0.00 0.00 0.68 0.00 0.00 39.33 40.90 1lm0 h ASP 49 CO 0.03 -0.18 -0.41 0.41 -1.61 0.00 0.00 179.24 177.49 1lm0 n THR 50 N -5.37 0.00 -4.01 2.25 -1.04 -1.25 -4.86 114.28 100.00 1lm0 n THR 50 Ca 0.10 -0.20 -0.28 0.00 -2.04 0.00 0.00 64.05 61.64 1lm0 n THR 50 Cb 0.39 0.89 -0.02 0.00 -1.82 0.00 0.00 70.33 69.77 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 1.39 -0.28 0.12 3.41 0.00 0.14 -4.86 105.19 105.11 1lm0 n GLY 51 Ca 0.10 0.15 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.42 1.52 -0.01 1.61 0.24 -0.99 -4.94 118.33 111.34 1lm0 n VAL 52 Ca -0.21 -0.21 -0.01 0.00 -2.04 0.00 0.00 64.34 61.87 1lm0 n VAL 52 Cb 0.64 -2.03 -0.00 0.00 -1.47 0.00 0.00 33.84 30.98 1lm0 n VAL 52 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1lm0 n LYS 53 N -4.33 0.06 -1.25 7.34 4.76 -1.26 -4.99 118.16 118.49 1lm0 n LYS 53 Ca -0.41 0.02 -0.30 0.00 -2.87 0.00 0.00 58.31 54.75 1lm0 n LYS 53 Cb 0.76 -0.57 0.22 0.00 -1.84 0.00 0.00 35.03 33.60 1lm0 n LYS 53 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1lm0 s PRO 54 N -1.23 -0.72 0.11 1.97 0.04 -1.26 -5.10 135.00 128.80 1lm0 s PRO 54 Ca -0.03 -0.08 -0.19 0.00 0.04 0.00 0.00 61.00 60.74 1lm0 s PRO 54 Cb 0.00 -1.66 0.04 0.00 0.04 0.00 0.00 34.50 32.93 1lm0 s PRO 54 CO 0.05 -3.38 0.46 -2.00 0.04 0.00 0.00 177.00 172.17 1lm0 s GLU 55 N -5.46 1.09 0.04 4.56 2.12 -1.26 -4.77 118.70 115.01 1lm0 s GLU 55 Ca 0.71 -0.54 -0.30 0.00 0.36 0.00 0.00 54.97 55.19 1lm0 s GLU 55 Cb -0.09 0.49 -0.07 0.00 0.26 0.00 0.00 34.13 34.71 1lm0 s GLU 55 CO 0.55 -0.43 1.55 0.00 -0.54 0.00 0.00 175.26 176.39 1lm0 s ALA 56 N -3.40 3.64 0.00 6.30 0.00 -1.26 -3.25 121.76 123.78 1lm0 s ALA 56 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1lm0 s ALA 56 Cb 0.01 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1lm0 s ALA 56 CO -0.09 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.05 1lm0 n GLY 57 N 3.85 3.65 3.80 0.00 0.00 0.13 -4.91 105.19 111.70 1lm0 n GLY 57 Ca 0.15 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 4.40 -0.13 1.61 1.11 -1.20 -4.76 119.66 120.69 1lm0 s GLN 58 Ca 0.00 1.05 -0.18 0.00 0.01 0.00 0.00 55.36 56.24 1lm0 s GLN 58 Cb 0.00 -2.94 -0.04 0.00 -1.01 0.00 0.00 33.01 29.02 1lm0 s GLN 58 CO 0.00 0.40 0.46 0.50 0.01 0.00 0.00 175.29 176.67 1lm0 s ARG 59 N -1.82 4.32 0.31 2.91 3.52 -1.26 -1.71 118.95 125.22 1lm0 s ARG 59 Ca 0.43 0.41 0.06 0.00 -0.13 0.00 0.00 55.73 56.50 1lm0 s ARG 59 Cb -0.19 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.73 1lm0 s ARG 59 CO 0.23 0.14 0.27 0.96 -0.81 0.00 0.00 175.30 176.08 1lm0 s ILE 60 N 0.70 0.00 -0.15 4.11 -4.36 -0.29 -4.63 121.20 116.58 1lm0 s ILE 60 Ca 0.25 -1.98 0.02 0.00 -0.26 0.00 0.00 60.65 58.68 1lm0 s ILE 60 Cb -0.15 -2.51 0.01 0.00 1.25 0.00 0.00 42.46 41.07 1lm0 s ILE 60 CO 0.10 0.00 -0.20 -0.13 0.24 0.00 0.00 174.94 174.95 1lm0 s ARG 61 N -3.52 2.83 0.03 0.37 0.52 0.75 -1.40 118.95 118.52 1lm0 s ARG 61 Ca 0.40 -0.78 -0.26 0.00 -0.52 0.00 0.00 55.73 54.57 1lm0 s ARG 61 Cb 0.03 -2.37 -0.05 0.00 0.52 0.00 0.00 34.95 33.08 1lm0 s ARG 61 CO 0.25 -0.10 0.79 0.54 0.02 0.00 0.00 175.30 176.80 1lm0 s VAL 62 N 1.05 4.77 -0.06 3.52 0.11 0.64 -0.35 120.40 130.08 1lm0 s VAL 62 Ca -0.02 1.68 -0.02 0.00 -2.93 0.00 0.00 61.98 60.69 1lm0 s VAL 62 Cb -0.14 -4.14 0.03 0.00 -1.53 0.00 0.00 36.38 30.59 1lm0 s VAL 62 CO -0.06 0.32 0.03 -0.83 -3.33 0.00 0.00 175.10 171.23 1lm0 s GLY 63 N 0.19 0.35 0.00 6.54 0.00 0.19 -0.39 107.32 114.20 1lm0 s GLY 63 Ca 0.40 0.02 0.00 0.00 0.00 0.00 0.00 44.72 45.15 1lm0 s GLY 63 CO 0.23 1.23 0.00 0.61 0.00 0.00 0.00 173.10 175.17 1lm0 n GLY 64 N 5.17 0.49 3.72 0.20 0.00 -1.01 -4.08 105.19 109.69 1lm0 n GLY 64 Ca -0.06 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.81 3.83 0.04 1.61 0.23 -0.37 -2.22 119.30 120.60 1lm0 s MET 65 Ca 0.00 -0.26 -0.25 0.00 -1.03 0.00 0.00 55.69 54.15 1lm0 s MET 65 Cb 0.00 -3.23 -0.05 0.00 -1.53 0.00 0.00 34.83 30.01 1lm0 s MET 65 CO 0.00 0.44 0.75 0.54 -2.03 0.00 0.00 175.02 174.72 1lm0 s VAL 66 N -0.07 4.75 0.42 5.16 0.11 -0.43 -1.36 120.40 128.99 1lm0 s VAL 66 Ca 0.08 1.60 -0.20 0.00 -2.93 0.00 0.00 61.98 60.53 1lm0 s VAL 66 Cb -0.12 -4.10 -0.11 0.00 -1.53 0.00 0.00 36.38 30.52 1lm0 s VAL 66 CO 0.00 0.36 0.93 -0.89 -3.33 0.00 0.00 175.10 172.18 1lm0 s THR 67 N -0.03 4.42 0.24 5.04 2.01 -1.26 -3.14 115.64 122.90 1lm0 s THR 67 Ca 0.38 1.44 -0.07 0.00 0.31 0.00 0.00 61.69 63.75 1lm0 s THR 67 Cb -0.20 -3.60 0.23 0.00 0.01 0.00 0.00 72.50 68.94 1lm0 s THR 67 CO 0.22 -0.31 1.67 1.62 -0.69 0.00 0.00 174.62 177.13 1lm0 h VAL 68 N 1.91 0.47 -0.52 3.82 3.04 -1.97 -0.65 116.25 122.34 1lm0 h VAL 68 Ca -0.49 -0.06 -0.08 0.00 -1.01 0.00 0.00 66.70 65.06 1lm0 h VAL 68 Cb 1.18 0.27 -0.05 0.00 -2.01 0.00 0.00 31.29 30.68 1lm0 h VAL 68 CO 0.61 0.03 0.10 0.61 -1.01 0.00 0.00 177.57 177.91 1lm0 n GLY 69 N -1.37 2.93 0.11 3.17 0.00 -1.26 -4.49 105.19 104.28 1lm0 n GLY 69 Ca 0.13 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 45.21 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 2.75 0.47 -3.11 1.61 0.02 -1.42 -3.46 113.55 110.41 1lm0 h SER 70 Ca 0.09 -0.56 -0.55 0.00 -0.84 0.00 0.00 61.79 59.93 1lm0 h SER 70 Cb 1.84 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 64.20 1lm0 h SER 70 CO 0.49 1.45 0.68 -0.32 -1.14 0.00 0.00 176.83 177.98 1lm0 s MET 71 N -2.63 4.36 -0.07 3.45 1.75 -1.26 -3.17 119.30 121.73 1lm0 s MET 71 Ca -0.07 1.64 -0.00 0.00 -1.25 0.00 0.00 55.69 56.01 1lm0 s MET 71 Cb 0.07 -3.55 0.02 0.00 2.84 0.00 0.00 34.83 34.21 1lm0 s MET 71 CO 0.88 -0.42 -0.03 0.14 -0.65 0.00 0.00 175.02 174.94 1lm0 s VAL 72 N 2.14 0.52 0.11 10.11 -7.23 -0.26 -5.02 120.40 120.77 1lm0 s VAL 72 Ca 0.55 -0.03 0.02 0.00 -1.81 0.00 0.00 61.98 60.71 1lm0 s VAL 72 Cb -0.24 -0.61 -0.04 0.00 0.56 0.00 0.00 36.38 36.06 1lm0 s VAL 72 CO 0.22 0.26 0.23 0.00 -0.31 0.00 0.00 175.10 175.50 1lm0 s ARG 73 N 1.51 3.37 0.65 4.82 1.70 -1.26 -1.12 118.95 128.62 1lm0 s ARG 73 Ca -0.02 -0.56 -0.11 0.00 -0.47 0.00 0.00 55.73 54.57 1lm0 s ARG 73 Cb -0.13 -2.96 -0.02 0.00 -0.57 0.00 0.00 34.95 31.27 1lm0 s ARG 73 CO -0.03 0.55 1.04 -0.51 -1.08 0.00 0.00 175.30 175.27 1lm0 s ASP 74 N -2.90 5.80 0.50 -2.89 1.01 0.03 -4.95 116.67 113.26 1lm0 s ASP 74 Ca 0.34 1.55 0.23 0.00 0.71 0.00 0.00 52.55 55.38 1lm0 s ASP 74 Cb -0.12 -2.49 1.33 0.00 1.01 0.00 0.00 42.92 42.65 1lm0 s ASP 74 CO 0.28 -1.16 2.06 1.55 0.21 0.00 0.00 175.17 178.11 1lm0 h PRO 75 N -0.41 0.00 -0.98 8.23 0.13 -2.00 -0.97 132.00 136.00 1lm0 h PRO 75 Ca -0.44 0.00 0.30 0.00 -0.87 0.00 0.00 66.00 64.99 1lm0 h PRO 75 Cb 1.20 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 1lm0 h PRO 75 CO 0.59 0.13 0.16 -0.91 -0.23 0.00 0.00 178.00 177.74 1lm0 h ASN 76 N 0.00 -0.25 -0.07 1.44 2.35 -1.92 -3.45 115.58 113.67 1lm0 h ASN 76 Ca -0.00 0.27 -0.03 0.00 -0.55 0.00 0.00 56.30 55.99 1lm0 h ASN 76 Cb 0.30 0.42 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 1lm0 h ASN 76 CO 0.02 -0.35 -0.03 -1.20 -1.65 0.00 0.00 177.43 174.22 1lm0 n SER 77 N -5.41 -3.89 -0.02 5.81 7.64 -0.37 -4.81 113.62 112.57 1lm0 n SER 77 Ca 0.26 0.03 -0.03 0.00 1.01 0.00 0.00 58.87 60.15 1lm0 n SER 77 Cb 0.86 -1.51 -0.04 0.00 -1.01 0.00 0.00 64.21 62.51 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 -0.16 0.25 -4.75 -3.43 -0.00 -1.26 -4.56 117.00 103.09 1lm0 n LEU 78 Ca -0.01 -0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.62 1lm0 n LEU 78 Cb 0.17 0.09 -0.06 0.00 -0.00 0.00 0.00 43.42 43.61 1lm0 n LEU 78 CO 0.02 0.16 0.10 -1.00 -0.00 0.00 0.00 177.39 176.67 1lm0 s HIS 79 N -2.12 3.54 -0.09 1.47 3.76 -1.26 -1.11 115.29 119.48 1lm0 s HIS 79 Ca -0.03 0.82 -0.10 0.00 -0.15 0.00 0.00 55.06 55.60 1lm0 s HIS 79 Cb 0.01 -2.43 0.03 0.00 1.11 0.00 0.00 32.58 31.30 1lm0 s HIS 79 CO 0.19 0.29 0.27 0.14 -0.85 0.00 0.00 174.74 174.79 1lm0 s VAL 80 N 0.22 0.01 0.03 -0.90 -7.23 -0.11 -0.79 120.40 111.63 1lm0 s VAL 80 Ca 0.23 -0.08 -0.06 0.00 -1.81 0.00 0.00 61.98 60.25 1lm0 s VAL 80 Cb -0.15 -0.42 -0.01 0.00 0.56 0.00 0.00 36.38 36.37 1lm0 s VAL 80 CO 0.09 -0.05 0.12 0.00 -0.31 0.00 0.00 175.10 174.95 1lm0 s GLN 81 N -0.08 0.59 -0.07 4.82 -2.07 -0.28 -0.44 119.66 122.13 1lm0 s GLN 81 Ca -0.02 -0.68 -0.09 0.00 -1.82 0.00 0.00 55.36 52.75 1lm0 s GLN 81 Cb -0.03 0.23 0.02 0.00 -1.09 0.00 0.00 33.01 32.15 1lm0 s GLN 81 CO 0.01 -0.15 0.24 -0.59 -1.32 0.00 0.00 175.29 173.47 1lm0 s PHE 82 N -2.40 -0.21 0.22 9.60 -0.12 -0.24 -1.10 117.98 123.73 1lm0 s PHE 82 Ca -0.07 0.47 -0.19 0.00 -0.05 0.00 0.00 56.93 57.10 1lm0 s PHE 82 Cb -0.02 0.07 -0.08 0.00 -0.63 0.00 0.00 43.02 42.36 1lm0 s PHE 82 CO -0.03 -0.19 0.71 0.00 -0.05 0.00 0.00 175.22 175.66 1lm0 s ALA 83 N -0.31 3.42 -0.01 1.99 0.00 -1.19 -0.57 121.76 125.09 1lm0 s ALA 83 Ca -0.04 0.14 -0.04 0.00 0.00 0.00 0.00 51.96 52.01 1lm0 s ALA 83 Cb -0.03 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1lm0 s ALA 83 CO 0.01 0.34 0.09 0.54 0.00 0.00 0.00 175.76 176.74 1lm0 s VAL 84 N -1.54 0.05 0.26 0.00 0.11 0.06 -4.27 120.40 115.06 1lm0 s VAL 84 Ca 0.43 -0.39 0.04 0.00 -2.93 0.00 0.00 61.98 59.13 1lm0 s VAL 84 Cb -0.16 -0.26 -0.01 0.00 -1.53 0.00 0.00 36.38 34.42 1lm0 s VAL 84 CO 0.21 -0.22 0.26 0.00 -3.33 0.00 0.00 175.10 172.02 1lm0 n HIS 85 N 2.26 -0.79 -4.07 1.54 1.44 -0.46 -0.75 115.22 114.39 1lm0 n HIS 85 Ca -0.18 -2.02 -0.15 0.00 -2.01 0.00 0.00 57.72 53.37 1lm0 n HIS 85 Cb 0.57 0.28 -0.03 0.00 0.12 0.00 0.00 29.99 30.93 1lm0 n HIS 85 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1lm0 s ASP 86 N -2.73 0.92 0.62 4.39 -1.08 -1.24 -1.24 116.67 116.31 1lm0 s ASP 86 Ca 0.28 -1.49 0.31 0.00 -0.52 0.00 0.00 52.55 51.12 1lm0 s ASP 86 Cb 0.01 0.69 1.67 0.00 -1.46 0.00 0.00 42.92 43.83 1lm0 s ASP 86 CO 0.20 -1.35 2.02 0.28 0.52 0.00 0.00 175.17 176.83 1lm0 h SER 87 N 2.08 0.00 0.15 -0.34 0.02 -1.99 -0.44 113.55 113.02 1lm0 h SER 87 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1lm0 h SER 87 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1lm0 h SER 87 CO 0.39 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 176.26 1lm0 n LEU 88 N -3.44 0.00 -2.40 5.07 4.77 -1.26 -4.87 117.00 114.88 1lm0 n LEU 88 Ca 0.02 0.27 -0.15 0.00 -0.03 0.00 0.00 56.01 56.12 1lm0 n LEU 88 Cb 0.41 -0.27 0.05 0.00 -2.33 0.00 0.00 43.42 41.27 1lm0 n LEU 88 CO 0.23 -0.20 0.15 0.61 -1.33 0.00 0.00 177.39 176.85 1lm0 n GLY 89 N -0.57 0.03 3.01 -0.72 0.00 -0.17 -4.98 105.19 101.78 1lm0 n GLY 89 Ca 0.04 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 1lm0 n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lm0 s GLY 90 N -3.18 0.39 -0.10 -0.02 0.00 -1.26 -5.05 107.32 98.09 1lm0 s GLY 90 Ca 0.36 -0.46 0.04 0.00 0.00 0.00 0.00 44.72 44.65 1lm0 s GLY 90 CO 0.44 -0.45 -0.23 1.85 0.00 0.00 0.00 173.10 174.71 1lm0 s GLU 91 N -0.69 2.97 -0.08 2.90 2.12 -1.26 -3.64 118.70 121.03 1lm0 s GLU 91 Ca -0.02 -0.85 0.01 0.00 0.36 0.00 0.00 54.97 54.47 1lm0 s GLU 91 Cb -0.05 -2.26 -0.03 0.00 0.26 0.00 0.00 34.13 32.05 1lm0 s GLU 91 CO 0.00 0.15 -0.10 -1.50 -0.54 0.00 0.00 175.26 173.27 1lm0 s ILE 92 N 0.40 3.40 -0.05 -3.70 -1.16 0.08 -4.93 121.20 115.23 1lm0 s ILE 92 Ca -0.18 -0.58 -0.19 0.00 -0.51 0.00 0.00 60.65 59.19 1lm0 s ILE 92 Cb -0.18 -2.38 -0.05 0.00 0.61 0.00 0.00 42.46 40.47 1lm0 s ILE 92 CO 0.08 0.58 0.53 -0.76 -2.81 0.00 0.00 174.94 172.56 1lm0 s LEU 93 N -0.55 4.36 -0.06 8.50 1.43 -1.26 -0.76 118.68 130.34 1lm0 s LEU 93 Ca 0.08 1.00 0.06 0.00 -1.03 0.00 0.00 54.13 54.24 1lm0 s LEU 93 Cb -0.12 -2.80 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 1lm0 s LEU 93 CO 0.02 0.07 -0.24 -0.69 0.23 0.00 0.00 176.35 175.74 1lm0 s VAL 94 N 0.11 2.18 0.05 -1.59 1.01 0.27 -3.59 120.40 118.83 1lm0 s VAL 94 Ca 0.29 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1lm0 s VAL 94 Cb -0.17 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1lm0 s VAL 94 CO 0.14 0.57 -0.09 0.42 0.00 0.00 0.00 175.10 176.14 1lm0 s THR 95 N -0.19 3.44 -0.09 3.92 -4.23 -0.62 -1.08 115.64 116.80 1lm0 s THR 95 Ca -0.02 -1.02 -0.07 0.00 -1.18 0.00 0.00 61.69 59.40 1lm0 s THR 95 Cb -0.14 -2.54 0.03 0.00 1.34 0.00 0.00 72.50 71.19 1lm0 s THR 95 CO 0.03 0.27 0.22 -0.47 -0.54 0.00 0.00 174.62 174.14 1lm0 s TYR 96 N -1.08 -0.26 -0.25 3.99 6.14 0.41 -1.15 117.35 125.16 1lm0 s TYR 96 Ca 0.19 0.64 0.12 0.00 0.64 0.00 0.00 57.07 58.66 1lm0 s TYR 96 Cb -0.11 0.06 0.46 0.00 0.42 0.00 0.00 41.96 42.79 1lm0 s TYR 96 CO 0.10 -0.15 1.18 -0.40 0.64 0.00 0.00 175.55 176.92 1lm0 n ASP 97 N 3.42 3.34 -2.89 4.32 5.75 -1.26 -0.93 116.55 128.30 1lm0 n ASP 97 Ca -0.17 -3.33 -0.09 0.00 -0.01 0.00 0.00 54.79 51.18 1lm0 n ASP 97 Cb 0.56 -0.40 0.02 0.00 -1.03 0.00 0.00 41.12 40.27 1lm0 n ASP 97 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1lm0 s ASP 98 N -3.45 0.12 0.11 -1.12 -1.08 -0.27 -4.79 116.67 106.19 1lm0 s ASP 98 Ca 0.43 -1.22 -0.31 0.00 -0.52 0.00 0.00 52.55 50.93 1lm0 s ASP 98 Cb 0.38 0.85 -0.08 0.00 -1.46 0.00 0.00 42.92 42.61 1lm0 s ASP 98 CO -0.01 -1.68 1.45 -0.76 0.52 0.00 0.00 175.17 174.69 1lm0 s LEU 99 N -3.10 4.36 0.50 -1.34 1.02 -1.26 -4.64 118.68 114.23 1lm0 s LEU 99 Ca 0.17 2.37 -0.21 0.00 0.02 0.00 0.00 54.13 56.48 1lm0 s LEU 99 Cb -0.05 -3.58 -0.07 0.00 0.02 0.00 0.00 46.19 42.51 1lm0 s LEU 99 CO 0.13 -0.72 1.12 -0.76 0.02 0.00 0.00 176.35 176.14 1lm0 s LEU 100 N 1.41 3.88 0.35 1.79 1.43 -1.26 -5.00 118.68 121.27 1lm0 s LEU 100 Ca 0.66 2.16 -0.29 0.00 -1.03 0.00 0.00 54.13 55.64 1lm0 s LEU 100 Cb -0.38 -4.44 -0.11 0.00 0.03 0.00 0.00 46.19 41.29 1lm0 s LEU 100 CO 0.30 -0.99 1.45 -2.16 0.23 0.00 0.00 176.35 175.18 1lm0 s PRO 101 N -3.03 4.18 -0.98 1.29 0.04 -1.26 -2.35 135.00 132.90 1lm0 s PRO 101 Ca 0.68 2.47 0.00 0.00 0.04 0.00 0.00 61.00 64.18 1lm0 s PRO 101 Cb -0.24 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1lm0 s PRO 101 CO 0.28 -0.45 0.00 -0.25 0.04 0.00 0.00 177.00 176.62 1lm0 n ASP 102 N 0.85 -3.56 0.00 6.66 9.92 -1.26 -0.17 116.55 128.99 1lm0 n ASP 102 Ca 0.02 0.23 0.00 0.00 -0.53 0.00 0.00 54.79 54.51 1lm0 n ASP 102 Cb 0.40 -3.07 0.00 0.00 -0.64 0.00 0.00 41.12 37.81 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 -2.67 1.00 -2.76 0.64 7.94 -0.99 -3.35 117.00 116.81 1lm0 n LEU 103 Ca -0.13 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.76 1lm0 n LEU 103 Cb 0.58 -2.18 0.00 0.00 0.53 0.00 0.00 43.42 42.35 1lm0 n LEU 103 CO 0.16 -0.84 -0.43 0.33 -1.11 0.00 0.00 177.39 175.50 1lm0 n PHE 104 N -2.00 -3.83 -2.44 1.96 7.35 0.76 -4.88 117.46 114.38 1lm0 n PHE 104 Ca 0.00 1.68 -0.41 0.00 -0.76 0.00 0.00 57.45 57.96 1lm0 n PHE 104 Cb 0.34 -3.94 -0.04 0.00 0.35 0.00 0.00 39.48 36.20 1lm0 n PHE 104 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1lm0 s ARG 105 N -1.75 4.56 0.70 -4.13 0.52 -1.21 -5.00 118.95 112.64 1lm0 s ARG 105 Ca 0.03 1.82 -0.08 0.00 -0.52 0.00 0.00 55.73 56.99 1lm0 s ARG 105 Cb -0.01 -3.23 0.05 0.00 0.52 0.00 0.00 34.95 32.28 1lm0 s ARG 105 CO 0.76 0.05 1.03 -1.21 0.02 0.00 0.00 175.30 175.95 1lm0 s GLU 106 N -0.70 2.34 -1.12 3.54 8.01 -1.26 -4.44 118.70 125.07 1lm0 s GLU 106 Ca 0.49 -0.10 -0.02 0.00 0.01 0.00 0.00 54.97 55.35 1lm0 s GLU 106 Cb -0.32 -2.14 0.00 0.00 -4.31 0.00 0.00 34.13 27.36 1lm0 s GLU 106 CO 0.38 -1.18 0.95 0.41 0.01 0.00 0.00 175.26 175.83 1lm0 n GLY 107 N -2.93 -0.31 3.45 -1.39 0.00 -1.19 -4.97 105.19 97.86 1lm0 n GLY 107 Ca 0.07 0.08 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.51 1.84 -0.22 1.61 -2.07 -1.26 -5.01 119.66 109.04 1lm0 s GLN 108 Ca 0.16 -1.76 0.00 0.00 -1.82 0.00 0.00 55.36 51.93 1lm0 s GLN 108 Cb -0.07 0.42 0.03 0.00 -1.09 0.00 0.00 33.01 32.30 1lm0 s GLN 108 CO 0.65 -0.74 -0.13 0.20 -1.32 0.00 0.00 175.29 173.95 1lm0 s GLY 109 N -3.24 1.53 0.39 2.60 0.00 -1.26 -1.31 107.32 106.02 1lm0 s GLY 109 Ca 0.32 -1.39 0.08 0.00 0.00 0.00 0.00 44.72 43.72 1lm0 s GLY 109 CO 0.20 0.43 0.04 -0.26 0.00 0.00 0.00 173.10 173.51 1lm0 s ILE 110 N 1.28 2.19 -0.04 0.90 -5.25 -0.94 -4.35 121.20 115.00 1lm0 s ILE 110 Ca 0.01 -1.95 0.06 0.00 -0.99 0.00 0.00 60.65 57.78 1lm0 s ILE 110 Cb -0.16 -2.93 -0.02 0.00 2.95 0.00 0.00 42.46 42.31 1lm0 s ILE 110 CO -0.08 -0.05 -0.20 0.68 -1.79 0.00 0.00 174.94 173.49 1lm0 s VAL 111 N -2.64 2.55 -0.10 8.37 -7.23 -1.11 -2.41 120.40 117.83 1lm0 s VAL 111 Ca 0.36 -0.92 0.02 0.00 -1.81 0.00 0.00 61.98 59.63 1lm0 s VAL 111 Cb 0.06 -1.95 0.01 0.00 0.56 0.00 0.00 36.38 35.07 1lm0 s VAL 111 CO 0.19 0.59 -0.14 0.00 -0.31 0.00 0.00 175.10 175.42 1lm0 s ALA 112 N -0.66 1.60 -0.15 1.32 0.00 0.48 -0.64 121.76 123.71 1lm0 s ALA 112 Ca 0.10 -0.67 -0.10 0.00 0.00 0.00 0.00 51.96 51.30 1lm0 s ALA 112 Cb -0.10 -0.78 -0.05 0.00 0.00 0.00 0.00 23.12 22.19 1lm0 s ALA 112 CO -0.00 -0.05 0.18 -1.14 0.00 0.00 0.00 175.76 174.75 1lm0 s GLN 113 N 0.95 3.94 0.24 0.00 0.74 0.27 -0.26 119.66 125.54 1lm0 s GLN 113 Ca -0.08 -0.10 -0.22 0.00 0.05 0.00 0.00 55.36 55.02 1lm0 s GLN 113 Cb -0.15 -3.33 0.04 0.00 1.10 0.00 0.00 33.01 30.67 1lm0 s GLN 113 CO -0.01 0.47 0.81 0.20 -0.55 0.00 0.00 175.29 176.22 1lm0 s GLY 114 N -0.17 -0.10 -0.09 2.59 0.00 -0.50 -2.97 107.32 106.09 1lm0 s GLY 114 Ca 0.13 -0.20 0.01 0.00 0.00 0.00 0.00 44.72 44.65 1lm0 s GLY 114 CO 0.02 -0.01 -0.09 0.54 0.00 0.00 0.00 173.10 173.55 1lm0 s VAL 115 N -3.56 3.45 -0.02 1.40 0.11 -0.05 -1.14 120.40 120.59 1lm0 s VAL 115 Ca 0.12 -0.56 -0.30 0.00 -2.93 0.00 0.00 61.98 58.31 1lm0 s VAL 115 Cb -0.04 -2.41 -0.05 0.00 -1.53 0.00 0.00 36.38 32.34 1lm0 s VAL 115 CO 0.06 0.57 1.34 -0.76 -3.33 0.00 0.00 175.10 172.98 1lm0 s LEU 116 N -0.44 4.30 0.00 2.54 1.02 -0.70 -1.23 118.68 124.18 1lm0 s LEU 116 Ca 0.06 2.02 0.00 0.00 0.02 0.00 0.00 54.13 56.23 1lm0 s LEU 116 Cb -0.12 -3.56 0.00 0.00 0.02 0.00 0.00 46.19 42.53 1lm0 s LEU 116 CO 0.02 -0.68 0.00 0.61 0.02 0.00 0.00 176.35 176.32 1lm0 n GLY 117 N 3.57 0.00 2.54 -3.19 0.00 -1.22 0.20 105.19 107.08 1lm0 n GLY 117 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1lm0 n GLY 117 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1lm0 n GLU 118 N -0.43 3.30 -1.52 1.61 1.02 -0.87 -4.96 120.64 118.80 1lm0 n GLU 118 Ca 0.00 -4.28 0.00 0.00 -0.02 0.00 0.00 57.16 52.86 1lm0 n GLU 118 Cb 0.00 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 29.16 1lm0 n GLU 118 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1lm0 n ASP 119 N -0.51 0.00 0.00 1.62 2.03 -1.26 -0.69 116.55 117.74 1lm0 n ASP 119 Ca 0.43 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.74 1lm0 n ASP 119 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 1lm0 n ASP 119 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lm0 n GLY 120 N -0.30 3.12 3.68 0.27 0.00 -1.26 -4.90 105.19 105.80 1lm0 n GLY 120 Ca 0.00 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 2.46 -0.11 1.61 3.01 0.13 -4.71 119.74 122.13 1lm0 s LYS 121 Ca 0.00 -1.11 0.02 0.00 -1.01 0.00 0.00 55.97 53.87 1lm0 s LYS 121 Cb 0.00 -2.37 -0.01 0.00 -1.01 0.00 0.00 37.83 34.44 1lm0 s LYS 121 CO 0.00 0.45 -0.18 -0.51 0.51 0.00 0.00 175.35 175.62 1lm0 s LEU 122 N -3.05 2.43 -0.41 3.17 1.43 -1.24 -2.04 118.68 118.98 1lm0 s LEU 122 Ca 0.28 -0.43 -0.20 0.00 -1.03 0.00 0.00 54.13 52.75 1lm0 s LEU 122 Cb -0.09 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.63 1lm0 s LEU 122 CO 0.19 0.17 0.61 0.00 0.23 0.00 0.00 176.35 177.56 1lm0 s ALA 123 N 0.28 3.39 -0.06 4.21 0.00 -0.37 -1.59 121.76 127.63 1lm0 s ALA 123 Ca -0.13 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.74 1lm0 s ALA 123 Cb -0.16 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1lm0 s ALA 123 CO 0.07 -1.60 -0.15 0.00 0.00 0.00 0.00 175.76 174.07 1lm0 s ALA 124 N 2.71 1.45 0.00 0.00 0.00 -0.30 -0.87 121.76 124.75 1lm0 s ALA 124 Ca 0.22 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1lm0 s ALA 124 Cb -0.14 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.42 1lm0 s ALA 124 CO 0.17 0.21 0.00 -2.37 0.00 0.00 0.00 175.76 173.77 1lm0 n THR 125 N 3.46 0.00 -3.20 0.00 5.66 -1.16 -4.10 114.28 114.95 1lm0 n THR 125 Ca -0.20 0.00 -0.45 0.00 -3.05 0.00 0.00 64.05 60.35 1lm0 n THR 125 Cb 0.53 0.38 -0.01 0.00 -1.55 0.00 0.00 70.33 69.68 1lm0 n THR 125 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1lm0 s GLU 126 N -1.80 4.02 -0.22 1.09 2.02 -1.17 -4.99 118.70 117.65 1lm0 s GLU 126 Ca 0.00 -2.79 -0.13 0.00 0.02 0.00 0.00 54.97 52.07 1lm0 s GLU 126 Cb 0.00 -4.70 -0.05 0.00 0.10 0.00 0.00 34.13 29.48 1lm0 s GLU 126 CO 0.00 -1.44 0.26 0.14 0.02 0.00 0.00 175.26 174.24 1lm0 s VAL 127 N 0.08 5.30 -0.37 2.63 -7.23 -1.26 -0.56 120.40 118.98 1lm0 s VAL 127 Ca 0.32 0.41 -0.01 0.00 -1.81 0.00 0.00 61.98 60.89 1lm0 s VAL 127 Cb -0.08 -3.60 0.09 0.00 0.56 0.00 0.00 36.38 33.36 1lm0 s VAL 127 CO -0.06 0.32 0.13 -0.76 -0.31 0.00 0.00 175.10 174.41 1lm0 s LEU 128 N 1.08 4.84 -1.03 1.32 2.01 0.19 -4.90 118.68 122.19 1lm0 s LEU 128 Ca 0.13 -1.88 -0.07 0.00 0.01 0.00 0.00 54.13 52.32 1lm0 s LEU 128 Cb -0.14 -1.76 -0.08 0.00 0.01 0.00 0.00 46.19 44.22 1lm0 s LEU 128 CO 0.05 -0.45 3.01 0.00 1.01 0.00 0.00 176.35 179.98 1lm0 n ALA 129 N 4.54 7.01 -0.87 4.21 0.00 -1.26 -2.74 120.51 131.40 1lm0 n ALA 129 Ca -0.04 -3.14 -0.20 0.00 0.00 0.00 0.00 53.44 50.06 1lm0 n ALA 129 Cb 0.42 -2.86 -0.07 0.00 0.00 0.00 0.00 19.45 16.94 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 2.67 2.17 -0.02 0.00 0.00 -1.26 -4.41 118.16 117.30 1lm0 n LYS 130 Ca 0.63 -1.29 -0.19 0.00 -0.00 0.00 0.00 58.31 57.47 1lm0 n LYS 130 Cb 0.45 -2.26 -0.13 0.00 -0.00 0.00 0.00 35.03 33.08 1lm0 n LYS 130 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.40 178.52 1lm0 h HIS 131 N 4.85 0.27 0.00 5.58 2.07 -1.86 -3.49 115.15 122.56 1lm0 h HIS 131 Ca 0.42 -0.20 0.00 0.00 -2.85 0.00 0.00 60.37 57.74 1lm0 h HIS 131 Cb 0.63 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.60 1lm0 h HIS 131 CO 1.77 1.28 0.00 -0.25 -3.07 0.00 0.00 177.93 177.66