#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 -3.03 -3.60 4.04 2.85 -1.26 -4.96 115.26 109.31 1lm0 n ASN 33 Ca 0.00 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.25 1lm0 n ASN 33 Cb 0.00 0.00 0.05 0.00 1.24 0.00 0.00 39.78 41.07 1lm0 n ASN 33 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1lm0 n LEU 34 N 0.00 -3.58 -3.21 1.20 0.00 -1.26 -4.99 117.00 105.16 1lm0 n LEU 34 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 56.01 55.17 1lm0 n LEU 34 Cb 0.00 -2.73 -0.03 0.00 0.00 0.00 0.00 43.42 40.66 1lm0 n LEU 34 CO 0.00 0.36 0.09 0.21 0.00 0.00 0.00 177.39 178.05 1lm0 s ASN 35 N -3.97 -0.91 0.24 1.96 3.04 -1.26 -4.58 114.94 109.46 1lm0 s ASN 35 Ca 0.20 0.59 -0.03 0.00 0.04 0.00 0.00 52.86 53.66 1lm0 s ASN 35 Cb -0.05 1.84 -0.03 0.00 -1.54 0.00 0.00 41.25 41.47 1lm0 s ASN 35 CO 0.81 -0.28 0.25 -1.48 -3.04 0.00 0.00 177.10 173.35 1lm0 s LEU 36 N 2.76 1.03 -0.04 3.21 2.34 -1.26 -4.92 118.68 121.80 1lm0 s LEU 36 Ca 0.17 -1.34 -0.26 0.00 0.06 0.00 0.00 54.13 52.76 1lm0 s LEU 36 Cb -0.15 0.78 -0.03 0.00 -0.56 0.00 0.00 46.19 46.23 1lm0 s LEU 36 CO -0.21 -0.96 0.82 -0.36 -1.06 0.00 0.00 176.35 174.58 1lm0 s PHE 37 N -3.97 3.60 0.02 3.48 0.08 -1.26 -0.30 117.98 119.64 1lm0 s PHE 37 Ca 0.35 1.43 0.03 0.00 0.12 0.00 0.00 56.93 58.87 1lm0 s PHE 37 Cb 0.04 -2.94 -0.02 0.00 -0.57 0.00 0.00 43.02 39.53 1lm0 s PHE 37 CO 0.14 0.03 -0.10 0.71 -0.10 0.00 0.00 175.22 175.90 1lm0 s TYR 38 N 0.94 0.91 0.12 0.36 2.02 0.53 -4.94 117.35 117.30 1lm0 s TYR 38 Ca 0.43 -0.30 -0.30 0.00 -0.37 0.00 0.00 57.07 56.54 1lm0 s TYR 38 Cb -0.19 -0.56 -0.06 0.00 -0.40 0.00 0.00 41.96 40.75 1lm0 s TYR 38 CO 0.22 -0.01 1.09 0.99 -1.57 0.00 0.00 175.55 176.27 1lm0 s THR 39 N -0.69 4.11 0.23 -0.71 2.01 -1.26 -0.69 115.64 118.64 1lm0 s THR 39 Ca -0.00 1.70 -0.08 0.00 0.31 0.00 0.00 61.69 63.62 1lm0 s THR 39 Cb -0.06 -4.08 0.21 0.00 0.01 0.00 0.00 72.50 68.57 1lm0 s THR 39 CO 0.00 0.23 1.90 1.55 -0.69 0.00 0.00 174.62 177.61 1lm0 h PRO 40 N 5.75 1.12 -0.61 4.92 0.13 -1.86 -2.45 132.00 139.00 1lm0 h PRO 40 Ca -0.43 -0.07 0.12 0.00 -0.87 0.00 0.00 66.00 64.75 1lm0 h PRO 40 Cb 1.21 -0.25 -0.11 0.00 0.13 0.00 0.00 31.00 31.98 1lm0 h PRO 40 CO 0.75 0.74 -0.14 1.03 -0.23 0.00 0.00 178.00 180.15 1lm0 h SER 41 N 1.15 -0.54 -0.31 1.44 0.87 -1.91 -1.97 113.55 112.29 1lm0 h SER 41 Ca 0.33 0.18 0.06 0.00 -1.23 0.00 0.00 61.79 61.13 1lm0 h SER 41 Cb -0.08 0.37 -0.08 0.00 -0.44 0.00 0.00 62.40 62.16 1lm0 h SER 41 CO -0.09 -0.19 -0.40 -0.08 -0.53 0.00 0.00 176.83 175.54 1lm0 h GLU 42 N 0.01 -0.35 0.00 2.24 4.57 -1.80 -1.19 114.58 118.06 1lm0 h GLU 42 Ca 0.30 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.50 1lm0 h GLU 42 Cb 0.46 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1lm0 h GLU 42 CO -0.62 -0.23 0.00 0.44 -1.18 0.00 0.00 179.01 177.42 1lm0 n ILE 43 N -5.42 0.99 0.06 2.32 -5.35 -0.78 -1.36 119.36 109.82 1lm0 n ILE 43 Ca -0.01 0.25 -0.05 0.00 -0.27 0.00 0.00 62.75 62.66 1lm0 n ILE 43 Cb 0.35 -1.00 -0.09 0.00 -1.74 0.00 0.00 39.64 37.16 1lm0 n ILE 43 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 1lm0 h VAL 44 N 0.00 1.34 -3.45 7.28 2.07 -0.78 -0.69 116.25 122.02 1lm0 h VAL 44 Ca 0.00 -2.98 -0.66 0.00 0.82 0.00 0.00 66.70 63.88 1lm0 h VAL 44 Cb 0.26 2.65 -0.39 0.00 -1.52 0.00 0.00 31.29 32.28 1lm0 h VAL 44 CO 0.00 0.76 -0.55 0.20 0.02 0.00 0.00 177.57 178.01 1lm0 s ASN 45 N -6.51 4.63 -0.82 0.57 0.01 -0.46 -4.60 114.94 107.75 1lm0 s ASN 45 Ca 0.01 -2.93 -0.05 0.00 -0.71 0.00 0.00 52.86 49.18 1lm0 s ASN 45 Cb 0.09 -1.71 0.01 0.00 0.41 0.00 0.00 41.25 40.05 1lm0 s ASN 45 CO 0.80 -0.28 0.72 0.61 -1.51 0.00 0.00 177.10 177.44 1lm0 n GLY 46 N 3.27 0.02 0.00 0.66 0.00 -1.26 -4.94 105.19 102.94 1lm0 n GLY 46 Ca 0.06 -0.11 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 -3.23 0.00 -0.14 1.61 4.01 -1.26 -4.51 118.16 114.65 1lm0 n LYS 47 Ca -0.02 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.75 1lm0 n LYS 47 Cb 0.55 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 35.03 1lm0 n LYS 47 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1lm0 n THR 48 N 0.00 -0.22 -0.35 -0.18 -1.04 -1.01 0.49 114.28 111.97 1lm0 n THR 48 Ca 0.00 0.81 0.03 0.00 -2.04 0.00 0.00 64.05 62.85 1lm0 n THR 48 Cb 0.00 -1.00 0.10 0.00 -1.82 0.00 0.00 70.33 67.61 1lm0 n THR 48 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1lm0 n ASP 49 N -4.31 -0.44 0.04 8.00 -0.08 -0.30 -1.20 116.55 118.26 1lm0 n ASP 49 Ca 0.01 1.65 0.08 0.00 -1.51 0.00 0.00 54.79 55.01 1lm0 n ASP 49 Cb 0.08 -0.45 -0.08 0.00 2.34 0.00 0.00 41.12 43.01 1lm0 n ASP 49 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1lm0 n THR 50 N -5.50 0.58 -2.46 5.18 -1.04 0.18 -4.75 114.28 106.47 1lm0 n THR 50 Ca 0.13 -0.58 -0.17 0.00 -2.04 0.00 0.00 64.05 61.39 1lm0 n THR 50 Cb 0.44 -0.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 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 1.29 -0.31 0.13 3.41 0.00 0.13 -4.89 105.19 104.94 1lm0 n GLY 51 Ca -0.06 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.29 1.36 0.00 1.61 -1.51 -1.82 -3.43 116.25 112.17 1lm0 h VAL 52 Ca -0.40 -2.87 0.00 0.00 -1.23 0.00 0.00 66.70 62.19 1lm0 h VAL 52 Cb 1.29 2.97 0.00 0.00 -2.13 0.00 0.00 31.29 33.42 1lm0 h VAL 52 CO 0.47 0.85 0.00 0.29 -1.23 0.00 0.00 177.57 177.95 1lm0 n LYS 53 N -3.61 0.00 -2.29 5.19 4.76 -1.26 -4.95 118.16 116.00 1lm0 n LYS 53 Ca -0.13 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.88 1lm0 n LYS 53 Cb 1.06 -0.14 -0.02 0.00 -1.84 0.00 0.00 35.03 34.09 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 -0.46 3.99 0.70 1.97 0.04 -1.26 -5.02 135.00 134.97 1lm0 s PRO 54 Ca 0.00 1.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.50 1lm0 s PRO 54 Cb 0.00 -3.90 0.01 0.00 0.04 0.00 0.00 34.50 30.65 1lm0 s PRO 54 CO 0.00 -1.04 1.07 -1.21 0.04 0.00 0.00 177.00 175.86 1lm0 s GLU 55 N 4.13 2.87 1.08 4.56 2.02 -1.26 -4.29 118.70 127.81 1lm0 s GLU 55 Ca 0.62 0.80 -0.13 0.00 0.02 0.00 0.00 54.97 56.28 1lm0 s GLU 55 Cb -0.22 -2.00 0.24 0.00 0.10 0.00 0.00 34.13 32.25 1lm0 s GLU 55 CO 0.23 -1.10 1.06 0.00 0.02 0.00 0.00 175.26 175.47 1lm0 s ALA 56 N -3.13 0.25 0.00 5.21 0.00 -1.26 -3.95 121.76 118.88 1lm0 s ALA 56 Ca 0.58 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1lm0 s ALA 56 Cb -0.13 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1lm0 s ALA 56 CO 0.54 -3.34 0.00 0.41 0.00 0.00 0.00 175.76 173.38 1lm0 n GLY 57 N -0.22 0.47 3.90 0.00 0.00 -1.09 -4.96 105.19 103.28 1lm0 n GLY 57 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.54 3.64 -0.17 1.61 -0.21 -1.25 -4.77 119.66 117.97 1lm0 s GLN 58 Ca 0.00 0.05 -0.13 0.00 0.02 0.00 0.00 55.36 55.31 1lm0 s GLN 58 Cb 0.00 -2.60 -0.05 0.00 1.00 0.00 0.00 33.01 31.37 1lm0 s GLN 58 CO 0.00 0.15 0.25 1.03 -2.12 0.00 0.00 175.29 174.60 1lm0 s ARG 59 N -3.72 4.20 0.33 2.91 1.81 -1.26 -0.83 118.95 122.39 1lm0 s ARG 59 Ca 0.45 0.01 -0.01 0.00 -1.72 0.00 0.00 55.73 54.46 1lm0 s ARG 59 Cb -0.11 -3.41 -0.01 0.00 -0.45 0.00 0.00 34.95 30.98 1lm0 s ARG 59 CO 0.31 0.28 0.42 0.96 -0.68 0.00 0.00 175.30 176.60 1lm0 s ILE 60 N 0.35 0.00 -0.21 1.52 -4.36 -1.10 -4.36 121.20 113.04 1lm0 s ILE 60 Ca 0.14 -1.68 0.01 0.00 -0.26 0.00 0.00 60.65 58.86 1lm0 s ILE 60 Cb -0.12 -2.58 0.03 0.00 1.25 0.00 0.00 42.46 41.04 1lm0 s ILE 60 CO 0.03 0.00 -0.16 -0.13 0.24 0.00 0.00 174.94 174.92 1lm0 s ARG 61 N -3.25 2.75 -0.07 0.37 0.52 0.59 -2.71 118.95 117.15 1lm0 s ARG 61 Ca 0.32 -1.00 -0.29 0.00 -0.52 0.00 0.00 55.73 54.24 1lm0 s ARG 61 Cb 0.01 -2.72 -0.02 0.00 0.52 0.00 0.00 34.95 32.74 1lm0 s ARG 61 CO 0.20 -0.34 0.95 0.54 0.02 0.00 0.00 175.30 176.68 1lm0 s VAL 62 N 1.24 4.85 -0.08 3.52 0.11 0.41 -0.35 120.40 130.10 1lm0 s VAL 62 Ca 0.00 1.96 -0.00 0.00 -2.93 0.00 0.00 61.98 61.01 1lm0 s VAL 62 Cb -0.16 -4.28 0.02 0.00 -1.53 0.00 0.00 36.38 30.44 1lm0 s VAL 62 CO -0.09 0.09 -0.05 -0.83 -3.33 0.00 0.00 175.10 170.88 1lm0 s GLY 63 N 1.04 0.63 0.00 6.54 0.00 0.13 -0.40 107.32 115.27 1lm0 s GLY 63 Ca 0.48 -0.30 -0.00 0.00 0.00 0.00 0.00 44.72 44.89 1lm0 s GLY 63 CO 0.21 0.80 0.01 0.61 0.00 0.00 0.00 173.10 174.73 1lm0 n GLY 64 N 4.76 1.20 3.84 0.20 0.00 -1.17 -4.11 105.19 109.89 1lm0 n GLY 64 Ca -0.14 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.00 3.67 -0.15 1.61 0.23 -1.08 -2.68 119.30 118.90 1lm0 s MET 65 Ca 0.00 -0.10 -0.08 0.00 -1.03 0.00 0.00 55.69 54.48 1lm0 s MET 65 Cb -0.00 -3.25 -0.04 0.00 -1.53 0.00 0.00 34.83 30.00 1lm0 s MET 65 CO 0.00 0.65 0.12 0.14 -2.03 0.00 0.00 175.02 173.90 1lm0 s VAL 66 N -0.66 5.34 0.54 5.16 -7.23 0.07 -1.00 120.40 122.61 1lm0 s VAL 66 Ca 0.14 0.15 -0.18 0.00 -1.81 0.00 0.00 61.98 60.28 1lm0 s VAL 66 Cb -0.12 -3.37 -0.06 0.00 0.56 0.00 0.00 36.38 33.39 1lm0 s VAL 66 CO 0.03 0.55 1.06 -0.89 -0.31 0.00 0.00 175.10 175.54 1lm0 s THR 67 N -0.44 3.66 0.10 5.32 2.01 -1.26 -2.61 115.64 122.43 1lm0 s THR 67 Ca 0.12 0.94 -0.30 0.00 0.31 0.00 0.00 61.69 62.76 1lm0 s THR 67 Cb -0.12 -3.38 -0.12 0.00 0.01 0.00 0.00 72.50 68.89 1lm0 s THR 67 CO 0.02 -0.31 1.62 1.62 -0.69 0.00 0.00 174.62 176.87 1lm0 h VAL 68 N 1.09 0.30 -2.16 3.82 3.04 -1.95 -3.25 116.25 117.14 1lm0 h VAL 68 Ca -0.49 0.00 -0.78 0.00 -1.01 0.00 0.00 66.70 64.43 1lm0 h VAL 68 Cb 1.23 0.30 -0.21 0.00 -2.01 0.00 0.00 31.29 30.60 1lm0 h VAL 68 CO 0.58 0.00 1.40 0.61 -1.01 0.00 0.00 177.57 179.15 1lm0 n GLY 69 N -1.44 4.76 2.70 3.17 0.00 -1.26 -4.64 105.19 108.48 1lm0 n GLY 69 Ca -0.09 -2.33 -0.06 0.00 0.00 0.00 0.00 46.02 43.54 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 2.99 -0.47 -3.79 1.61 7.64 -1.23 -5.00 113.62 115.38 1lm0 n SER 70 Ca 0.33 -2.43 -0.22 0.00 1.01 0.00 0.00 58.87 57.56 1lm0 n SER 70 Cb 0.36 0.34 -0.17 0.00 -1.01 0.00 0.00 64.21 63.73 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 -1.23 0.63 -0.01 1.43 1.75 -1.26 -1.97 119.30 118.64 1lm0 s MET 71 Ca 0.22 0.07 0.03 0.00 -1.25 0.00 0.00 55.69 54.76 1lm0 s MET 71 Cb 0.42 -0.93 -0.01 0.00 2.84 0.00 0.00 34.83 37.15 1lm0 s MET 71 CO -0.06 -0.26 -0.09 0.14 -0.65 0.00 0.00 175.02 174.10 1lm0 s VAL 72 N 1.76 0.75 0.13 10.11 -7.23 -0.07 -5.01 120.40 120.84 1lm0 s VAL 72 Ca 0.02 -0.41 0.10 0.00 -1.81 0.00 0.00 61.98 59.88 1lm0 s VAL 72 Cb -0.13 -0.63 -0.04 0.00 0.56 0.00 0.00 36.38 36.15 1lm0 s VAL 72 CO -0.04 0.21 -0.24 0.00 -0.31 0.00 0.00 175.10 174.72 1lm0 s ARG 73 N -0.23 1.30 0.55 4.82 1.70 -1.26 -0.91 118.95 124.93 1lm0 s ARG 73 Ca 0.04 -1.31 -0.15 0.00 -0.47 0.00 0.00 55.73 53.84 1lm0 s ARG 73 Cb -0.04 -1.67 -0.06 0.00 -0.57 0.00 0.00 34.95 32.61 1lm0 s ARG 73 CO -0.00 0.38 1.00 -0.51 -1.08 0.00 0.00 175.30 175.09 1lm0 s ASP 74 N -2.12 6.46 0.48 -2.89 1.11 -0.11 -4.97 116.67 114.62 1lm0 s ASP 74 Ca 0.12 1.54 0.26 0.00 0.18 0.00 0.00 52.55 54.65 1lm0 s ASP 74 Cb -0.09 -2.50 1.17 0.00 1.07 0.00 0.00 42.92 42.57 1lm0 s ASP 74 CO 0.06 -0.71 1.94 1.55 1.18 0.00 0.00 175.17 179.20 1lm0 h PRO 75 N 0.53 0.00 -1.16 8.23 0.13 -2.01 -0.02 132.00 137.70 1lm0 h PRO 75 Ca -0.46 0.00 0.35 0.00 -0.87 0.00 0.00 66.00 65.02 1lm0 h PRO 75 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 1lm0 h PRO 75 CO 0.61 0.18 0.73 -0.91 -0.23 0.00 0.00 178.00 178.39 1lm0 h ASN 76 N 0.00 0.36 -0.04 1.44 2.35 -1.93 -3.45 115.58 114.31 1lm0 h ASN 76 Ca -0.00 0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1lm0 h ASN 76 Cb 0.55 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 1lm0 h ASN 76 CO 0.02 -0.06 -0.02 -1.20 -1.65 0.00 0.00 177.43 174.53 1lm0 n SER 77 N -4.71 -5.05 0.00 5.81 7.64 -0.02 -4.72 113.62 112.57 1lm0 n SER 77 Ca 0.31 0.02 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1lm0 n SER 77 Cb 1.13 -2.64 0.00 0.00 -1.01 0.00 0.00 64.21 61.70 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 -0.11 1.45 -3.82 -3.43 -0.00 -1.26 -4.53 117.00 105.30 1lm0 n LEU 78 Ca -0.01 -1.45 -0.17 0.00 -0.00 0.00 0.00 56.01 54.39 1lm0 n LEU 78 Cb 0.35 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.61 1lm0 n LEU 78 CO 0.01 0.36 -0.37 -1.00 -0.00 0.00 0.00 177.39 176.39 1lm0 s HIS 79 N -0.70 0.31 -0.09 1.47 3.76 -1.26 -1.74 115.29 117.04 1lm0 s HIS 79 Ca 0.00 -0.00 -0.19 0.00 -0.15 0.00 0.00 55.06 54.71 1lm0 s HIS 79 Cb 0.00 -0.39 0.04 0.00 1.11 0.00 0.00 32.58 33.34 1lm0 s HIS 79 CO 0.00 -0.12 0.46 0.14 -0.85 0.00 0.00 174.74 174.37 1lm0 s VAL 80 N 0.96 0.02 0.03 -0.90 -7.23 0.14 -0.94 120.40 112.48 1lm0 s VAL 80 Ca -0.10 -0.18 -0.17 0.00 -1.81 0.00 0.00 61.98 59.73 1lm0 s VAL 80 Cb -0.13 -0.73 0.03 0.00 0.56 0.00 0.00 36.38 36.11 1lm0 s VAL 80 CO -0.02 -0.10 0.38 0.00 -0.31 0.00 0.00 175.10 175.06 1lm0 s GLN 81 N -0.66 0.86 0.05 4.82 -2.07 -0.09 -0.37 119.66 122.20 1lm0 s GLN 81 Ca -0.08 -0.35 -0.08 0.00 -1.82 0.00 0.00 55.36 53.03 1lm0 s GLN 81 Cb -0.03 0.38 -0.00 0.00 -1.09 0.00 0.00 33.01 32.27 1lm0 s GLN 81 CO 0.04 -0.28 0.17 -0.59 -1.32 0.00 0.00 175.29 173.31 1lm0 s PHE 82 N -2.29 0.12 -0.09 9.60 -0.12 -0.16 -0.89 117.98 124.15 1lm0 s PHE 82 Ca -0.07 -0.41 -0.04 0.00 -0.05 0.00 0.00 56.93 56.37 1lm0 s PHE 82 Cb -0.01 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.27 1lm0 s PHE 82 CO -0.01 -0.44 0.06 0.00 -0.05 0.00 0.00 175.22 174.78 1lm0 s ALA 83 N -2.89 3.55 0.15 1.99 0.00 -0.83 -0.61 121.76 123.11 1lm0 s ALA 83 Ca -0.03 -0.75 0.11 0.00 0.00 0.00 0.00 51.96 51.30 1lm0 s ALA 83 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 1lm0 s ALA 83 CO -0.06 0.61 -0.25 0.08 0.00 0.00 0.00 175.76 176.14 1lm0 s VAL 84 N -0.97 2.20 0.29 0.00 1.01 0.25 -4.15 120.40 119.03 1lm0 s VAL 84 Ca 0.15 -1.82 0.04 0.00 0.00 0.00 0.00 61.98 60.35 1lm0 s VAL 84 Cb -0.12 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1lm0 s VAL 84 CO 0.04 -0.01 0.14 0.00 0.00 0.00 0.00 175.10 175.27 1lm0 n HIS 85 N 0.71 -0.09 -4.17 5.22 1.44 -0.17 -0.66 115.22 117.51 1lm0 n HIS 85 Ca -0.16 -2.02 -0.11 0.00 -2.01 0.00 0.00 57.72 53.42 1lm0 n HIS 85 Cb 0.54 0.06 -0.10 0.00 0.12 0.00 0.00 29.99 30.61 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 -2.86 0.21 0.30 4.39 2.15 -1.26 -2.63 116.67 116.98 1lm0 s ASP 86 Ca 0.20 -1.28 0.02 0.00 0.43 0.00 0.00 52.55 51.91 1lm0 s ASP 86 Cb 0.01 0.35 0.76 0.00 -0.30 0.00 0.00 42.92 43.74 1lm0 s ASP 86 CO 0.14 -0.80 1.59 0.28 -0.17 0.00 0.00 175.17 176.21 1lm0 h SER 87 N 2.72 -0.36 -0.08 -0.34 0.02 -1.97 0.20 113.55 113.74 1lm0 h SER 87 Ca -0.35 0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1lm0 h SER 87 Cb 1.23 0.43 -0.01 0.00 0.14 0.00 0.00 62.40 64.19 1lm0 h SER 87 CO 0.55 -0.32 0.02 0.18 -1.14 0.00 0.00 176.83 176.12 1lm0 n LEU 88 N -5.43 2.04 -3.61 5.07 4.77 -1.26 -4.85 117.00 113.74 1lm0 n LEU 88 Ca 0.23 -1.03 -0.25 0.00 -0.03 0.00 0.00 56.01 54.93 1lm0 n LEU 88 Cb 0.76 -0.53 0.07 0.00 -2.33 0.00 0.00 43.42 41.39 1lm0 n LEU 88 CO -0.04 0.36 0.21 0.61 -1.33 0.00 0.00 177.39 177.21 1lm0 n GLY 89 N 0.13 -0.54 2.44 -0.72 0.00 0.69 -4.84 105.19 102.36 1lm0 n GLY 89 Ca 0.04 0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.92 3.87 3.63 -0.02 0.00 -1.24 -4.74 105.19 104.75 1lm0 n GLY 90 Ca 0.01 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 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 2.67 3.61 0.05 1.61 2.12 -1.26 -4.05 118.70 123.45 1lm0 s GLU 91 Ca 0.59 2.07 0.01 0.00 0.36 0.00 0.00 54.97 58.00 1lm0 s GLU 91 Cb 0.15 -4.21 -0.03 0.00 0.26 0.00 0.00 34.13 30.30 1lm0 s GLU 91 CO -0.05 -1.54 -0.06 0.42 -0.54 0.00 0.00 175.26 173.49 1lm0 s ILE 92 N 6.28 0.44 -0.14 -3.70 -1.09 0.17 -4.98 121.20 118.19 1lm0 s ILE 92 Ca 0.88 -1.33 -0.00 0.00 -2.23 0.00 0.00 60.65 57.97 1lm0 s ILE 92 Cb -0.33 -0.89 -0.01 0.00 -1.58 0.00 0.00 42.46 39.64 1lm0 s ILE 92 CO 0.35 -0.60 -0.13 -0.76 -1.23 0.00 0.00 174.94 172.58 1lm0 s LEU 93 N -2.06 2.72 -0.12 2.97 1.43 -1.26 -0.59 118.68 121.78 1lm0 s LEU 93 Ca -0.04 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1lm0 s LEU 93 Cb -0.04 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 1lm0 s LEU 93 CO -0.02 0.15 -0.17 -0.69 0.23 0.00 0.00 176.35 175.85 1lm0 s VAL 94 N 0.43 2.72 0.08 -1.59 1.01 0.22 -3.21 120.40 120.07 1lm0 s VAL 94 Ca -0.10 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1lm0 s VAL 94 Cb -0.16 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1lm0 s VAL 94 CO 0.05 0.54 0.06 0.42 0.00 0.00 0.00 175.10 176.17 1lm0 s THR 95 N 0.33 4.42 -0.09 3.92 -4.23 0.50 -0.98 115.64 119.50 1lm0 s THR 95 Ca -0.13 -0.82 -0.04 0.00 -1.18 0.00 0.00 61.69 59.52 1lm0 s THR 95 Cb -0.17 -3.13 0.05 0.00 1.34 0.00 0.00 72.50 70.60 1lm0 s THR 95 CO 0.07 0.12 0.18 -0.47 -0.54 0.00 0.00 174.62 173.98 1lm0 s TYR 96 N -1.38 -0.23 -0.60 3.99 6.14 0.50 -0.90 117.35 124.88 1lm0 s TYR 96 Ca 0.29 0.68 0.02 0.00 0.64 0.00 0.00 57.07 58.69 1lm0 s TYR 96 Cb -0.12 -0.20 0.41 0.00 0.42 0.00 0.00 41.96 42.46 1lm0 s TYR 96 CO 0.21 -0.28 1.60 -0.40 0.64 0.00 0.00 175.55 177.32 1lm0 n ASP 97 N 5.27 6.25 -3.00 4.32 5.75 -1.26 -0.69 116.55 133.19 1lm0 n ASP 97 Ca -0.06 -3.78 -0.01 0.00 -0.01 0.00 0.00 54.79 50.93 1lm0 n ASP 97 Cb 0.50 -0.74 0.02 0.00 -1.03 0.00 0.00 41.12 39.86 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 -0.62 -1.35 -4.77 -1.12 -0.08 -0.71 -4.80 116.55 103.11 1lm0 n ASP 98 Ca 0.49 -1.64 -0.40 0.00 -1.51 0.00 0.00 54.79 51.74 1lm0 n ASP 98 Cb 0.57 2.17 -0.03 0.00 2.34 0.00 0.00 41.12 46.17 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 4.38 0.90 -2.67 1.02 -1.26 -4.48 118.68 116.57 1lm0 s LEU 99 Ca 0.20 2.40 -0.11 0.00 0.02 0.00 0.00 54.13 56.65 1lm0 s LEU 99 Cb -0.02 -3.79 0.14 0.00 0.02 0.00 0.00 46.19 42.53 1lm0 s LEU 99 CO 0.03 -0.45 1.12 -0.76 0.02 0.00 0.00 176.35 176.31 1lm0 s LEU 100 N -1.96 2.63 0.00 1.79 2.01 -1.26 -5.06 118.68 116.84 1lm0 s LEU 100 Ca 0.51 1.98 0.00 0.00 0.01 0.00 0.00 54.13 56.62 1lm0 s LEU 100 Cb -0.33 -4.39 0.00 0.00 0.01 0.00 0.00 46.19 41.48 1lm0 s LEU 100 CO 0.43 -2.93 0.00 -0.81 1.01 0.00 0.00 176.35 174.05 1lm0 n PRO 101 N -4.11 0.00 -0.93 1.29 -0.04 -1.26 -4.28 135.00 125.67 1lm0 n PRO 101 Ca 0.10 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.34 1lm0 n PRO 101 Cb 0.53 -0.08 -0.07 0.00 -0.04 0.00 0.00 33.50 33.84 1lm0 n PRO 101 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1lm0 n ASP 102 N 0.00 5.74 0.00 3.54 9.92 -1.26 -4.69 116.55 129.81 1lm0 n ASP 102 Ca 0.00 -2.37 0.00 0.00 -0.53 0.00 0.00 54.79 51.89 1lm0 n ASP 102 Cb 0.00 -1.24 0.00 0.00 -0.64 0.00 0.00 41.12 39.24 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 3.34 0.38 -2.03 0.64 -0.00 -1.26 -2.22 117.00 115.84 1lm0 n LEU 103 Ca 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.50 1lm0 n LEU 103 Cb 0.41 -0.64 -0.01 0.00 -0.00 0.00 0.00 43.42 43.18 1lm0 n LEU 103 CO 0.51 -0.21 -0.27 0.33 -0.00 0.00 0.00 177.39 177.75 1lm0 n PHE 104 N -0.21 -1.97 -2.64 1.47 7.35 -1.26 -4.86 117.46 115.34 1lm0 n PHE 104 Ca 0.00 1.01 -0.43 0.00 -0.76 0.00 0.00 57.45 57.27 1lm0 n PHE 104 Cb 0.02 -2.65 -0.02 0.00 0.35 0.00 0.00 39.48 37.18 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 -0.80 4.29 0.80 -4.13 0.52 -0.94 -5.03 118.95 113.65 1lm0 s ARG 105 Ca -0.07 1.40 -0.09 0.00 -0.52 0.00 0.00 55.73 56.45 1lm0 s ARG 105 Cb 0.00 -3.63 0.11 0.00 0.52 0.00 0.00 34.95 31.96 1lm0 s ARG 105 CO 0.37 -0.57 1.12 -1.21 0.02 0.00 0.00 175.30 175.03 1lm0 s GLU 106 N 2.98 1.65 -1.25 3.54 8.01 -1.26 -4.51 118.70 127.86 1lm0 s GLU 106 Ca 0.46 -0.36 -0.07 0.00 0.01 0.00 0.00 54.97 55.00 1lm0 s GLU 106 Cb -0.16 -2.07 0.01 0.00 -4.31 0.00 0.00 34.13 27.60 1lm0 s GLU 106 CO 0.09 -1.65 1.09 0.41 0.01 0.00 0.00 175.26 175.21 1lm0 n GLY 107 N -3.21 -0.43 3.75 -1.39 0.00 -1.07 -4.92 105.19 97.92 1lm0 n GLY 107 Ca 0.11 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 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 -6.11 2.11 -0.14 1.61 -2.07 -1.22 -5.00 119.66 108.83 1lm0 s GLN 108 Ca 0.48 -1.45 -0.13 0.00 -1.82 0.00 0.00 55.36 52.45 1lm0 s GLN 108 Cb -0.21 0.59 -0.05 0.00 -1.09 0.00 0.00 33.01 32.25 1lm0 s GLN 108 CO 0.68 -0.96 0.27 0.20 -1.32 0.00 0.00 175.29 174.16 1lm0 s GLY 109 N -3.08 2.22 0.11 2.60 0.00 -1.26 -0.75 107.32 107.16 1lm0 s GLY 109 Ca 0.18 -0.47 0.01 0.00 0.00 0.00 0.00 44.72 44.44 1lm0 s GLY 109 CO 0.13 0.27 -0.02 -0.26 0.00 0.00 0.00 173.10 173.22 1lm0 s ILE 110 N 0.07 0.45 -0.04 0.90 -5.25 -1.09 -4.06 121.20 112.18 1lm0 s ILE 110 Ca 0.16 -1.91 0.05 0.00 -0.99 0.00 0.00 60.65 57.96 1lm0 s ILE 110 Cb -0.13 -1.83 -0.01 0.00 2.95 0.00 0.00 42.46 43.45 1lm0 s ILE 110 CO 0.05 -0.72 -0.19 0.68 -1.79 0.00 0.00 174.94 172.96 1lm0 s VAL 111 N -3.79 1.58 -0.17 8.37 -7.23 -0.24 -3.06 120.40 115.86 1lm0 s VAL 111 Ca 0.16 -0.81 0.01 0.00 -1.81 0.00 0.00 61.98 59.53 1lm0 s VAL 111 Cb 0.07 -1.35 0.03 0.00 0.56 0.00 0.00 36.38 35.68 1lm0 s VAL 111 CO -0.03 0.45 -0.13 0.00 -0.31 0.00 0.00 175.10 175.09 1lm0 s ALA 112 N -0.04 1.94 -0.05 1.32 0.00 0.47 -0.48 121.76 124.92 1lm0 s ALA 112 Ca -0.03 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 1lm0 s ALA 112 Cb -0.12 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1lm0 s ALA 112 CO 0.02 -0.57 0.04 -1.14 0.00 0.00 0.00 175.76 174.11 1lm0 s GLN 113 N 1.44 3.02 0.00 0.00 -0.44 0.46 -0.44 119.66 123.69 1lm0 s GLN 113 Ca 0.02 -0.43 0.00 0.00 -2.50 0.00 0.00 55.36 52.45 1lm0 s GLN 113 Cb -0.14 -2.83 0.00 0.00 -1.64 0.00 0.00 33.01 28.40 1lm0 s GLN 113 CO -0.10 0.68 0.00 0.41 0.50 0.00 0.00 175.29 176.79 1lm0 n GLY 114 N 1.75 -0.60 3.10 2.59 0.00 -1.10 -1.11 105.19 109.82 1lm0 n GLY 114 Ca -0.17 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.12 0.83 0.19 1.61 0.11 0.25 -2.69 120.40 119.58 1lm0 s VAL 115 Ca 0.00 -1.00 -0.32 0.00 -2.93 0.00 0.00 61.98 57.73 1lm0 s VAL 115 Cb 0.00 -0.81 -0.12 0.00 -1.53 0.00 0.00 36.38 33.92 1lm0 s VAL 115 CO 0.00 -0.16 1.71 0.18 -3.33 0.00 0.00 175.10 173.49 1lm0 n LEU 116 N 1.75 3.82 0.00 2.54 7.99 -0.01 -0.62 117.00 132.46 1lm0 n LEU 116 Ca -0.20 1.06 0.00 0.00 -0.01 0.00 0.00 56.01 56.86 1lm0 n LEU 116 Cb 0.55 -1.54 0.00 0.00 -0.11 0.00 0.00 43.42 42.32 1lm0 n LEU 116 CO 0.22 0.09 0.00 0.61 -1.51 0.00 0.00 177.39 176.80 1lm0 n GLY 117 N 3.88 0.87 0.09 -0.72 0.00 -0.11 -2.69 105.19 106.51 1lm0 n GLY 117 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 1lm0 n GLY 117 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1lm0 h GLU 118 N 0.00 -0.21 0.00 1.61 4.81 -1.93 -3.41 114.58 115.45 1lm0 h GLU 118 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1lm0 h GLU 118 Cb 0.00 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1lm0 h GLU 118 CO 0.00 -0.14 0.00 -3.47 -0.73 0.00 0.00 179.01 174.67 1lm0 n ASP 119 N -2.68 0.00 -0.17 1.04 -0.08 -1.26 -4.88 116.55 108.52 1lm0 n ASP 119 Ca -0.03 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.19 1lm0 n ASP 119 Cb 0.09 0.33 0.02 0.00 2.34 0.00 0.00 41.12 43.90 1lm0 n ASP 119 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1lm0 h GLY 120 N 0.00 0.73 -3.27 0.27 0.00 -1.86 -3.44 103.07 95.50 1lm0 h GLY 120 Ca 0.00 -0.27 -0.50 0.00 0.00 0.00 0.00 47.33 46.57 1lm0 h GLY 120 CO 0.00 0.26 0.18 0.54 0.00 0.00 0.00 176.54 177.52 1lm0 s LYS 121 N -6.15 4.30 -0.08 4.80 3.01 -1.26 -4.72 119.74 119.63 1lm0 s LYS 121 Ca -0.13 0.98 -0.02 0.00 -1.01 0.00 0.00 55.97 55.79 1lm0 s LYS 121 Cb 0.12 -2.75 -0.03 0.00 -1.01 0.00 0.00 37.83 34.16 1lm0 s LYS 121 CO 0.74 0.30 0.01 -0.51 0.51 0.00 0.00 175.35 176.41 1lm0 s LEU 122 N -2.22 3.63 -0.44 3.17 1.02 -1.20 -0.94 118.68 121.71 1lm0 s LEU 122 Ca 0.48 0.16 -0.10 0.00 0.02 0.00 0.00 54.13 54.69 1lm0 s LEU 122 Cb -0.16 -1.85 0.09 0.00 0.02 0.00 0.00 46.19 44.30 1lm0 s LEU 122 CO 0.21 0.38 0.30 0.00 0.02 0.00 0.00 176.35 177.25 1lm0 s ALA 123 N -0.91 3.35 -0.43 4.21 0.00 0.21 -0.37 121.76 127.82 1lm0 s ALA 123 Ca 0.14 -2.27 0.02 0.00 0.00 0.00 0.00 51.96 49.85 1lm0 s ALA 123 Cb -0.11 -2.75 0.14 0.00 0.00 0.00 0.00 23.12 20.39 1lm0 s ALA 123 CO 0.03 -1.74 0.24 0.00 0.00 0.00 0.00 175.76 174.29 1lm0 s ALA 124 N 1.43 1.96 -0.49 0.00 0.00 -0.08 -0.58 121.76 124.00 1lm0 s ALA 124 Ca 0.04 -2.49 0.24 0.00 0.00 0.00 0.00 51.96 49.75 1lm0 s ALA 124 Cb -0.24 -1.84 0.37 0.00 0.00 0.00 0.00 23.12 21.41 1lm0 s ALA 124 CO 0.02 -2.07 1.48 0.00 0.00 0.00 0.00 175.76 175.19 1lm0 h THR 125 N 5.20 0.00 -3.42 0.00 1.03 -1.69 -3.41 112.91 110.61 1lm0 h THR 125 Ca 0.01 -0.81 -0.79 0.00 -0.01 0.00 0.00 66.41 64.81 1lm0 h THR 125 Cb 0.93 1.64 -0.26 0.00 -1.07 0.00 0.00 68.15 69.39 1lm0 h THR 125 CO 0.45 0.00 0.49 -1.61 -0.01 0.00 0.00 175.52 174.84 1lm0 s GLU 126 N -3.21 4.04 -0.22 0.00 2.02 -0.26 -4.96 118.70 116.10 1lm0 s GLU 126 Ca 0.06 -2.93 -0.16 0.00 0.02 0.00 0.00 54.97 51.95 1lm0 s GLU 126 Cb 0.09 -4.60 -0.04 0.00 0.10 0.00 0.00 34.13 29.68 1lm0 s GLU 126 CO 0.69 -1.33 0.43 0.14 0.02 0.00 0.00 175.26 175.21 1lm0 s VAL 127 N -0.49 5.16 -0.19 2.63 -7.23 -1.26 -0.40 120.40 118.61 1lm0 s VAL 127 Ca 0.29 0.76 -0.03 0.00 -1.81 0.00 0.00 61.98 61.19 1lm0 s VAL 127 Cb -0.09 -3.76 -0.01 0.00 0.56 0.00 0.00 36.38 33.08 1lm0 s VAL 127 CO -0.07 0.20 -0.07 -0.76 -0.31 0.00 0.00 175.10 174.08 1lm0 s LEU 128 N 1.63 2.82 -0.18 1.32 2.01 0.37 -4.92 118.68 121.74 1lm0 s LEU 128 Ca 0.20 -0.38 -0.17 0.00 0.01 0.00 0.00 54.13 53.79 1lm0 s LEU 128 Cb -0.15 -1.70 -0.04 0.00 0.01 0.00 0.00 46.19 44.31 1lm0 s LEU 128 CO 0.09 0.03 0.44 0.00 1.01 0.00 0.00 176.35 177.91 1lm0 s ALA 129 N 1.16 3.54 -0.35 4.21 0.00 -1.26 -1.08 121.76 127.98 1lm0 s ALA 129 Ca 0.02 -0.41 -0.00 0.00 0.00 0.00 0.00 51.96 51.56 1lm0 s ALA 129 Cb -0.14 -2.66 0.13 0.00 0.00 0.00 0.00 23.12 20.45 1lm0 s ALA 129 CO -0.02 -0.23 0.20 -1.59 0.00 0.00 0.00 175.76 174.12 1lm0 s LYS 130 N 1.17 0.58 -0.39 0.00 0.00 -1.26 -5.02 119.74 114.82 1lm0 s LYS 130 Ca 0.22 -1.29 0.12 0.00 0.00 0.00 0.00 55.97 55.02 1lm0 s LYS 130 Cb -0.15 -1.40 0.39 0.00 0.00 0.00 0.00 37.83 36.67 1lm0 s LYS 130 CO 0.09 -1.18 0.85 -2.39 0.00 0.00 0.00 175.35 172.72 1lm0 n HIS 131 N 4.17 1.19 1.80 1.78 1.44 -1.26 -4.88 115.22 119.46 1lm0 n HIS 131 Ca 0.09 -3.48 0.14 0.00 -2.01 0.00 0.00 57.72 52.46 1lm0 n HIS 131 Cb 0.37 -0.39 0.86 0.00 0.12 0.00 0.00 29.99 30.95 1lm0 n HIS 131 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13