#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 -0.44 0.46 -3.46 2.47 -1.26 -5.15 114.94 107.56 1lm0 s ASN 33 Ca 0.00 0.37 -0.19 0.00 0.42 0.00 0.00 52.86 53.45 1lm0 s ASN 33 Cb 0.00 1.54 -0.10 0.00 -1.45 0.00 0.00 41.25 41.25 1lm0 s ASN 33 CO 0.00 -0.29 0.96 -0.76 -3.72 0.00 0.00 177.10 173.29 1lm0 s LEU 34 N 2.67 3.82 -0.48 3.21 2.01 -1.26 -5.05 118.68 123.60 1lm0 s LEU 34 Ca 0.15 1.64 0.06 0.00 0.01 0.00 0.00 54.13 55.99 1lm0 s LEU 34 Cb -0.14 -4.52 0.24 0.00 0.01 0.00 0.00 46.19 41.77 1lm0 s LEU 34 CO -0.20 -0.45 0.85 -3.20 1.01 0.00 0.00 176.35 174.36 1lm0 n ASN 35 N -1.01 -2.70 -4.61 2.29 2.85 -1.26 -4.64 115.26 106.17 1lm0 n ASN 35 Ca 0.07 -3.24 -0.25 0.00 -0.11 0.00 0.00 54.58 51.05 1lm0 n ASN 35 Cb 0.54 1.64 -0.09 0.00 1.24 0.00 0.00 39.78 43.11 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 -0.64 2.93 -0.57 1.20 0.05 -1.26 -4.78 118.68 115.60 1lm0 s LEU 36 Ca 0.32 -1.01 -0.20 0.00 0.05 0.00 0.00 54.13 53.29 1lm0 s LEU 36 Cb 0.21 -1.30 0.07 0.00 -2.05 0.00 0.00 46.19 43.13 1lm0 s LEU 36 CO -0.23 -0.20 0.77 -0.36 -0.55 0.00 0.00 176.35 175.78 1lm0 s PHE 37 N -2.52 2.91 0.00 3.48 0.08 -1.26 -0.60 117.98 120.08 1lm0 s PHE 37 Ca 0.34 -0.61 0.00 0.00 0.12 0.00 0.00 56.93 56.78 1lm0 s PHE 37 Cb -0.00 -3.93 0.00 0.00 -0.57 0.00 0.00 43.02 38.52 1lm0 s PHE 37 CO 0.19 -1.30 0.00 2.48 -0.10 0.00 0.00 175.22 176.49 1lm0 n TYR 38 N 6.74 -2.90 -3.46 0.36 4.11 -0.59 -4.77 117.16 116.65 1lm0 n TYR 38 Ca -0.06 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.58 1lm0 n TYR 38 Cb 0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.76 1lm0 n TYR 38 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1lm0 s THR 39 N 0.96 5.11 -0.49 -3.48 -4.23 -1.26 -1.21 115.64 111.04 1lm0 s THR 39 Ca 0.00 -0.26 0.24 0.00 -1.18 0.00 0.00 61.69 60.49 1lm0 s THR 39 Cb 0.00 -3.78 0.25 0.00 1.34 0.00 0.00 72.50 70.31 1lm0 s THR 39 CO 0.00 -0.36 1.72 -0.81 -0.54 0.00 0.00 174.62 174.63 1lm0 n PRO 40 N -1.16 0.20 0.23 3.99 -0.04 -1.26 -2.21 135.00 134.74 1lm0 n PRO 40 Ca -0.04 0.41 0.09 0.00 -0.04 0.00 0.00 63.50 63.92 1lm0 n PRO 40 Cb 0.55 -1.87 0.53 0.00 -0.04 0.00 0.00 33.50 32.67 1lm0 n PRO 40 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1lm0 h SER 41 N 0.00 0.00 0.27 3.54 0.02 -1.93 -3.32 113.55 112.13 1lm0 h SER 41 Ca 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1lm0 h SER 41 Cb 0.39 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 1lm0 h SER 41 CO 0.00 0.23 -0.44 -0.33 -1.14 0.00 0.00 176.83 175.15 1lm0 h GLU 42 N 0.00 -0.75 -1.67 3.45 3.07 -1.83 -2.41 114.58 114.45 1lm0 h GLU 42 Ca -0.00 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1lm0 h GLU 42 Cb 0.59 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 1lm0 h GLU 42 CO 0.03 -0.50 0.00 0.44 -1.40 0.00 0.00 179.01 177.58 1lm0 n ILE 43 N -5.49 1.55 0.00 3.13 -0.00 -1.25 -2.00 119.36 115.30 1lm0 n ILE 43 Ca -0.09 -0.30 0.00 0.00 -0.00 0.00 0.00 62.75 62.35 1lm0 n ILE 43 Cb 0.40 -1.29 0.00 0.00 -0.00 0.00 0.00 39.64 38.75 1lm0 n ILE 43 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 1lm0 n VAL 44 N 1.18 0.00 -0.01 7.28 0.31 -0.91 -3.79 118.33 122.38 1lm0 n VAL 44 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 1lm0 n VAL 44 Cb 0.47 -0.58 -0.14 0.00 -0.91 0.00 0.00 33.84 32.68 1lm0 n VAL 44 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1lm0 h ASN 45 N 0.00 0.26 0.00 4.52 2.35 -1.36 -3.45 115.58 117.90 1lm0 h ASN 45 Ca 0.00 -0.92 -0.12 0.00 -0.55 0.00 0.00 56.30 54.70 1lm0 h ASN 45 Cb 0.92 -0.09 -0.11 0.00 0.05 0.00 0.00 38.32 39.09 1lm0 h ASN 45 CO 0.00 1.30 0.03 0.61 -1.65 0.00 0.00 177.43 177.72 1lm0 n GLY 46 N 1.64 -0.44 0.00 2.83 0.00 -1.22 -5.00 105.19 103.00 1lm0 n GLY 46 Ca -0.15 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.25 0.00 -0.16 1.61 5.02 -1.25 -4.40 118.16 118.73 1lm0 n LYS 47 Ca -0.16 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.18 1lm0 n LYS 47 Cb 0.71 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.83 1lm0 n LYS 47 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1lm0 n THR 48 N 0.00 -0.19 -0.33 -0.18 -1.04 -1.26 -0.37 114.28 110.91 1lm0 n THR 48 Ca 0.00 1.01 -0.01 0.00 -2.04 0.00 0.00 64.05 63.02 1lm0 n THR 48 Cb 0.00 -1.45 0.05 0.00 -1.82 0.00 0.00 70.33 67.11 1lm0 n THR 48 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1lm0 h ASP 49 N 0.00 -1.24 0.17 8.00 1.82 -1.77 -2.06 116.42 121.34 1lm0 h ASP 49 Ca 0.26 0.29 -0.12 0.00 -0.39 0.00 0.00 57.03 57.06 1lm0 h ASP 49 Cb 0.48 0.68 -0.02 0.00 0.68 0.00 0.00 39.33 41.15 1lm0 h ASP 49 CO -0.44 -0.30 -1.96 0.41 -1.61 0.00 0.00 179.24 175.34 1lm0 n THR 50 N -5.49 0.58 -3.06 2.25 -1.04 0.21 -4.87 114.28 102.86 1lm0 n THR 50 Ca 0.10 -0.63 -0.13 0.00 -2.04 0.00 0.00 64.05 61.35 1lm0 n THR 50 Cb 0.41 -0.25 0.04 0.00 -1.82 0.00 0.00 70.33 68.71 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 1.41 0.10 0.08 3.41 0.00 0.50 -4.95 105.19 105.74 1lm0 n GLY 51 Ca -0.12 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.43 1.06 0.00 1.61 -1.51 -1.83 -3.44 116.25 110.71 1lm0 h VAL 52 Ca -0.32 -2.84 0.00 0.00 -1.23 0.00 0.00 66.70 62.32 1lm0 h VAL 52 Cb 1.21 2.51 0.00 0.00 -2.13 0.00 0.00 31.29 32.87 1lm0 h VAL 52 CO 0.31 0.60 -0.07 0.29 -1.23 0.00 0.00 177.57 177.48 1lm0 n LYS 53 N -3.12 0.04 -2.88 5.19 5.02 -1.26 -5.04 118.16 116.10 1lm0 n LYS 53 Ca -0.11 0.01 -0.35 0.00 -2.02 0.00 0.00 58.31 55.84 1lm0 n LYS 53 Cb 1.00 -0.46 -0.06 0.00 -0.02 0.00 0.00 35.03 35.48 1lm0 n LYS 53 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1lm0 s PRO 54 N -1.84 4.38 0.23 1.97 0.04 -1.26 -5.08 135.00 133.44 1lm0 s PRO 54 Ca -0.02 1.13 0.07 0.00 0.04 0.00 0.00 61.00 62.22 1lm0 s PRO 54 Cb 0.00 -2.63 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 1lm0 s PRO 54 CO 0.03 0.21 0.14 -1.21 0.04 0.00 0.00 177.00 176.22 1lm0 s GLU 55 N -2.41 2.80 0.71 4.56 2.02 -1.26 -4.38 118.70 120.74 1lm0 s GLU 55 Ca 0.52 -1.07 -0.15 0.00 0.02 0.00 0.00 54.97 54.29 1lm0 s GLU 55 Cb -0.15 -2.51 0.03 0.00 0.10 0.00 0.00 34.13 31.59 1lm0 s GLU 55 CO 0.20 0.42 1.19 0.00 0.02 0.00 0.00 175.26 177.08 1lm0 s ALA 56 N -2.05 2.21 0.00 5.21 0.00 -1.26 -3.86 121.76 122.01 1lm0 s ALA 56 Ca 0.32 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1lm0 s ALA 56 Cb -0.08 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1lm0 s ALA 56 CO 0.23 -1.71 0.00 0.41 0.00 0.00 0.00 175.76 174.69 1lm0 n GLY 57 N 0.22 0.51 3.95 0.00 0.00 0.12 -4.93 105.19 105.06 1lm0 n GLY 57 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.82 3.43 -0.01 1.61 -0.21 -1.25 -4.79 119.66 117.61 1lm0 s GLN 58 Ca 0.00 -0.45 -0.15 0.00 0.02 0.00 0.00 55.36 54.78 1lm0 s GLN 58 Cb 0.00 -2.70 -0.06 0.00 1.00 0.00 0.00 33.01 31.26 1lm0 s GLN 58 CO 0.00 0.16 0.42 1.03 -2.12 0.00 0.00 175.29 174.77 1lm0 s ARG 59 N -4.27 3.97 0.34 2.91 0.52 -1.26 -0.96 118.95 120.20 1lm0 s ARG 59 Ca 0.40 0.42 -0.06 0.00 -0.52 0.00 0.00 55.73 55.97 1lm0 s ARG 59 Cb -0.09 -3.24 0.01 0.00 0.52 0.00 0.00 34.95 32.14 1lm0 s ARG 59 CO 0.35 0.64 0.54 0.96 0.02 0.00 0.00 175.30 177.80 1lm0 s ILE 60 N -0.91 0.00 0.01 1.52 -4.36 -1.23 -4.62 121.20 111.61 1lm0 s ILE 60 Ca 0.24 -1.47 0.06 0.00 -0.26 0.00 0.00 60.65 59.22 1lm0 s ILE 60 Cb -0.17 -2.65 -0.02 0.00 1.25 0.00 0.00 42.46 40.87 1lm0 s ILE 60 CO 0.13 0.00 -0.18 -0.13 0.24 0.00 0.00 174.94 175.00 1lm0 s ARG 61 N -2.98 1.34 -0.18 0.37 0.52 0.24 -3.21 118.95 115.04 1lm0 s ARG 61 Ca 0.27 -0.74 -0.03 0.00 -0.52 0.00 0.00 55.73 54.71 1lm0 s ARG 61 Cb -0.01 -1.35 -0.02 0.00 0.52 0.00 0.00 34.95 34.09 1lm0 s ARG 61 CO 0.18 0.36 -0.05 0.54 0.02 0.00 0.00 175.30 176.35 1lm0 s VAL 62 N -0.59 3.59 -0.24 3.52 0.11 0.73 -1.54 120.40 125.99 1lm0 s VAL 62 Ca 0.06 -0.44 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 1lm0 s VAL 62 Cb -0.07 -2.59 0.05 0.00 -1.53 0.00 0.00 36.38 32.23 1lm0 s VAL 62 CO 0.00 0.46 -0.12 -0.83 -3.33 0.00 0.00 175.10 171.28 1lm0 s GLY 63 N 0.84 1.59 0.07 6.54 0.00 -0.35 -0.51 107.32 115.51 1lm0 s GLY 63 Ca -0.01 -1.65 -0.08 0.00 0.00 0.00 0.00 44.72 42.98 1lm0 s GLY 63 CO 0.01 0.57 0.39 0.61 0.00 0.00 0.00 173.10 174.68 1lm0 n GLY 64 N 4.48 1.06 3.34 0.20 0.00 -1.02 -4.23 105.19 109.02 1lm0 n GLY 64 Ca -0.15 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.02 2.46 0.51 1.61 0.23 -1.22 -1.38 119.30 119.48 1lm0 s MET 65 Ca 0.09 -0.85 -0.23 0.00 -1.03 0.00 0.00 55.69 53.67 1lm0 s MET 65 Cb -0.01 -2.21 -0.06 0.00 -1.53 0.00 0.00 34.83 31.02 1lm0 s MET 65 CO 0.02 0.48 1.35 0.14 -2.03 0.00 0.00 175.02 174.99 1lm0 s VAL 66 N -0.40 2.19 -0.73 5.16 -7.23 -1.01 -0.85 120.40 117.52 1lm0 s VAL 66 Ca 0.04 0.15 -0.19 0.00 -1.81 0.00 0.00 61.98 60.17 1lm0 s VAL 66 Cb -0.12 -3.08 -0.15 0.00 0.56 0.00 0.00 36.38 33.59 1lm0 s VAL 66 CO 0.02 0.01 1.92 0.41 -0.31 0.00 0.00 175.10 177.14 1lm0 n THR 67 N -0.73 1.78 -2.77 5.32 -1.04 -0.58 -4.67 114.28 111.59 1lm0 n THR 67 Ca 0.09 -1.43 -0.01 0.00 -2.04 0.00 0.00 64.05 60.66 1lm0 n THR 67 Cb 0.44 -2.25 0.00 0.00 -1.82 0.00 0.00 70.33 66.71 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 5.70 -0.08 0.00 12.58 3.14 -1.26 -2.15 118.33 136.26 1lm0 n VAL 68 Ca 0.47 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.85 1lm0 n VAL 68 Cb 0.34 -0.07 0.00 0.00 -1.06 0.00 0.00 33.84 33.05 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 -0.61 0.61 0.16 7.55 0.00 -1.26 -4.96 105.19 106.68 1lm0 n GLY 69 Ca -0.01 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 2.01 -4.70 1.61 7.64 -0.91 -5.02 113.62 114.25 1lm0 n SER 70 Ca 0.00 -1.79 -0.42 0.00 1.01 0.00 0.00 58.87 57.67 1lm0 n SER 70 Cb 0.00 -0.05 -0.03 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.82 4.38 0.06 1.43 1.75 -1.26 -3.57 119.30 121.27 1lm0 s MET 71 Ca 0.06 1.75 0.04 0.00 -1.25 0.00 0.00 55.69 56.29 1lm0 s MET 71 Cb 0.03 -3.46 -0.03 0.00 2.84 0.00 0.00 34.83 34.22 1lm0 s MET 71 CO 0.04 -0.37 -0.12 0.14 -0.65 0.00 0.00 175.02 174.06 1lm0 s VAL 72 N 1.68 0.94 -0.00 10.11 -7.23 -0.28 -5.02 120.40 120.59 1lm0 s VAL 72 Ca 0.58 -1.19 -0.01 0.00 -1.81 0.00 0.00 61.98 59.56 1lm0 s VAL 72 Cb -0.28 -0.92 -0.00 0.00 0.56 0.00 0.00 36.38 35.74 1lm0 s VAL 72 CO 0.26 -0.24 0.01 0.00 -0.31 0.00 0.00 175.10 174.82 1lm0 s ARG 73 N -1.60 0.07 0.56 4.82 1.04 -1.26 -0.93 118.95 121.64 1lm0 s ARG 73 Ca -0.04 -0.07 -0.16 0.00 -1.04 0.00 0.00 55.73 54.42 1lm0 s ARG 73 Cb -0.10 0.03 -0.05 0.00 -2.04 0.00 0.00 34.95 32.79 1lm0 s ARG 73 CO 0.02 -0.01 1.03 -0.51 -0.04 0.00 0.00 175.30 175.79 1lm0 s ASP 74 N -0.22 6.11 0.56 -2.89 1.11 0.16 -4.94 116.67 116.56 1lm0 s ASP 74 Ca -0.03 1.73 0.30 0.00 0.18 0.00 0.00 52.55 54.74 1lm0 s ASP 74 Cb -0.02 -2.53 1.66 0.00 1.07 0.00 0.00 42.92 43.11 1lm0 s ASP 74 CO -0.00 -0.94 2.16 1.55 1.18 0.00 0.00 175.17 179.11 1lm0 h PRO 75 N 0.66 0.00 -1.20 8.23 0.13 -2.02 0.58 132.00 138.39 1lm0 h PRO 75 Ca -0.47 0.00 0.34 0.00 -0.87 0.00 0.00 66.00 65.00 1lm0 h PRO 75 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 1lm0 h PRO 75 CO 0.59 0.07 0.85 -0.91 -0.23 0.00 0.00 178.00 178.37 1lm0 h ASN 76 N 0.00 0.05 -2.38 1.44 2.35 -1.92 -3.45 115.58 111.67 1lm0 h ASN 76 Ca -0.00 0.01 -0.34 0.00 -0.55 0.00 0.00 56.30 55.42 1lm0 h ASN 76 Cb 0.20 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1lm0 h ASN 76 CO 0.01 0.01 -0.43 -1.20 -1.65 0.00 0.00 177.43 174.16 1lm0 n SER 77 N -4.23 -4.99 0.00 5.81 7.64 0.19 -4.80 113.62 113.24 1lm0 n SER 77 Ca 0.26 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1lm0 n SER 77 Cb 1.23 -4.09 0.00 0.00 -1.01 0.00 0.00 64.21 60.35 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 -2.42 0.21 -4.70 -3.43 -0.00 -1.26 -4.69 117.00 100.71 1lm0 n LEU 78 Ca -0.20 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.39 1lm0 n LEU 78 Cb 0.65 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 44.04 1lm0 n LEU 78 CO 0.23 -0.12 0.72 -1.00 -0.00 0.00 0.00 177.39 177.22 1lm0 s HIS 79 N -1.96 3.59 0.03 1.47 3.76 -1.26 -0.89 115.29 120.03 1lm0 s HIS 79 Ca 0.00 1.64 0.00 0.00 -0.15 0.00 0.00 55.06 56.55 1lm0 s HIS 79 Cb 0.00 -3.14 -0.02 0.00 1.11 0.00 0.00 32.58 30.52 1lm0 s HIS 79 CO 0.00 -0.10 -0.04 0.14 -0.85 0.00 0.00 174.74 173.89 1lm0 s VAL 80 N 1.46 0.21 0.06 -0.90 -7.23 0.09 -0.66 120.40 113.43 1lm0 s VAL 80 Ca 0.50 -1.05 -0.12 0.00 -1.81 0.00 0.00 61.98 59.50 1lm0 s VAL 80 Cb -0.20 -0.48 0.01 0.00 0.56 0.00 0.00 36.38 36.28 1lm0 s VAL 80 CO 0.23 -0.54 0.26 0.00 -0.31 0.00 0.00 175.10 174.75 1lm0 s GLN 81 N -1.78 0.82 -0.22 4.82 -2.07 -0.11 -0.17 119.66 120.94 1lm0 s GLN 81 Ca -0.12 -0.66 -0.16 0.00 -1.82 0.00 0.00 55.36 52.61 1lm0 s GLN 81 Cb -0.08 0.35 0.06 0.00 -1.09 0.00 0.00 33.01 32.25 1lm0 s GLN 81 CO -0.02 -0.27 0.56 -0.59 -1.32 0.00 0.00 175.29 173.66 1lm0 s PHE 82 N -2.99 -0.76 -0.09 9.60 -0.12 -0.24 -1.13 117.98 122.26 1lm0 s PHE 82 Ca -0.02 1.65 -0.22 0.00 -0.05 0.00 0.00 56.93 58.29 1lm0 s PHE 82 Cb 0.01 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 1lm0 s PHE 82 CO -0.06 -0.38 0.66 0.00 -0.05 0.00 0.00 175.22 175.39 1lm0 s ALA 83 N 1.04 3.38 -0.10 1.99 0.00 -1.23 -0.90 121.76 125.93 1lm0 s ALA 83 Ca -0.06 0.05 0.04 0.00 0.00 0.00 0.00 51.96 51.99 1lm0 s ALA 83 Cb -0.06 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.15 1lm0 s ALA 83 CO -0.10 -0.13 -0.23 0.08 0.00 0.00 0.00 175.76 175.39 1lm0 s VAL 84 N 0.88 1.95 0.46 0.00 1.01 0.21 -1.53 120.40 123.38 1lm0 s VAL 84 Ca 0.35 -0.96 0.08 0.00 0.00 0.00 0.00 61.98 61.45 1lm0 s VAL 84 Cb -0.17 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1lm0 s VAL 84 CO 0.16 0.54 0.44 -1.38 0.00 0.00 0.00 175.10 174.86 1lm0 s HIS 85 N 0.40 2.38 0.00 5.22 -3.43 -0.03 -0.67 115.29 119.16 1lm0 s HIS 85 Ca -0.18 -0.57 0.00 0.00 -0.80 0.00 0.00 55.06 53.51 1lm0 s HIS 85 Cb -0.18 -2.15 0.00 0.00 -1.43 0.00 0.00 32.58 28.83 1lm0 s HIS 85 CO 0.08 -0.32 0.00 -3.47 -2.00 0.00 0.00 174.74 169.03 1lm0 n ASP 86 N -1.68 0.00 0.15 7.38 2.03 -1.13 -3.43 116.55 119.87 1lm0 n ASP 86 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1lm0 n ASP 86 Cb 0.62 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 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 -2.17 -2.65 0.00 1.67 2.88 -1.26 -4.97 113.62 107.12 1lm0 n SER 87 Ca 0.00 0.77 0.00 0.00 -1.33 0.00 0.00 58.87 58.31 1lm0 n SER 87 Cb 0.00 2.65 0.00 0.00 -0.75 0.00 0.00 64.21 66.11 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 -3.29 0.00 -0.09 2.46 7.99 -1.26 -4.92 117.00 117.88 1lm0 n LEU 88 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 56.01 56.04 1lm0 n LEU 88 Cb 0.00 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.37 1lm0 n LEU 88 CO 0.00 0.00 0.47 0.61 -1.51 0.00 0.00 177.39 176.96 1lm0 n GLY 89 N 3.25 2.90 2.21 -0.72 0.00 -1.26 -4.88 105.19 106.68 1lm0 n GLY 89 Ca 0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.79 2.80 3.51 -0.02 0.00 -1.26 -4.84 105.19 104.59 1lm0 n GLY 90 Ca 0.07 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 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 1.82 3.30 0.20 1.61 2.12 -1.26 -2.83 118.70 123.66 1lm0 s GLU 91 Ca 0.52 -0.34 0.07 0.00 0.36 0.00 0.00 54.97 55.58 1lm0 s GLU 91 Cb 0.22 -4.07 -0.04 0.00 0.26 0.00 0.00 34.13 30.49 1lm0 s GLU 91 CO -0.01 -1.51 0.04 -1.50 -0.54 0.00 0.00 175.26 171.73 1lm0 s ILE 92 N 3.93 3.86 -0.29 -3.70 1.10 0.15 -4.94 121.20 121.32 1lm0 s ILE 92 Ca 0.29 -1.46 -0.06 0.00 -0.51 0.00 0.00 60.65 58.91 1lm0 s ILE 92 Cb -0.13 -2.98 0.01 0.00 0.15 0.00 0.00 42.46 39.51 1lm0 s ILE 92 CO 0.18 -0.18 0.05 -0.76 -2.11 0.00 0.00 174.94 172.12 1lm0 s LEU 93 N -3.19 3.72 -0.03 8.50 1.43 -1.26 -0.62 118.68 127.22 1lm0 s LEU 93 Ca 0.29 -0.76 -0.16 0.00 -1.03 0.00 0.00 54.13 52.48 1lm0 s LEU 93 Cb -0.09 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 1lm0 s LEU 93 CO 0.20 -0.18 0.43 -0.69 0.23 0.00 0.00 176.35 176.34 1lm0 s VAL 94 N 1.46 5.06 0.19 -1.59 1.01 -0.07 -3.60 120.40 122.86 1lm0 s VAL 94 Ca 0.02 0.89 0.10 0.00 0.00 0.00 0.00 61.98 62.99 1lm0 s VAL 94 Cb -0.17 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1lm0 s VAL 94 CO 0.01 0.50 -0.16 0.42 0.00 0.00 0.00 175.10 175.87 1lm0 s THR 95 N -0.54 2.83 -0.06 3.92 -4.23 0.45 -1.08 115.64 116.93 1lm0 s THR 95 Ca 0.24 -1.85 -0.12 0.00 -1.18 0.00 0.00 61.69 58.78 1lm0 s THR 95 Cb -0.16 -2.39 0.02 0.00 1.34 0.00 0.00 72.50 71.31 1lm0 s THR 95 CO 0.12 -0.13 0.30 -0.31 -0.54 0.00 0.00 174.62 174.06 1lm0 s TYR 96 N -1.74 -0.23 0.00 3.99 1.51 0.75 -0.92 117.35 120.70 1lm0 s TYR 96 Ca 0.24 0.49 0.00 0.00 -1.01 0.00 0.00 57.07 56.79 1lm0 s TYR 96 Cb -0.08 0.09 0.00 0.00 -0.11 0.00 0.00 41.96 41.86 1lm0 s TYR 96 CO 0.13 -0.28 0.68 -0.40 -1.11 0.00 0.00 175.55 174.58 1lm0 n ASP 97 N 2.03 1.03 -2.91 2.29 5.75 -1.26 -0.73 116.55 122.75 1lm0 n ASP 97 Ca -0.18 -1.46 -0.18 0.00 -0.01 0.00 0.00 54.79 52.97 1lm0 n ASP 97 Cb 0.57 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.65 1lm0 n ASP 97 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1lm0 n ASP 98 N -0.23 2.05 0.00 -1.12 8.00 -1.08 -4.37 116.55 119.80 1lm0 n ASP 98 Ca 0.00 -3.11 0.00 0.00 0.71 0.00 0.00 54.79 52.39 1lm0 n ASP 98 Cb 0.31 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 1lm0 n ASP 98 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1lm0 n LEU 99 N 0.01 0.00 -3.56 0.64 4.32 -0.06 -4.89 117.00 113.45 1lm0 n LEU 99 Ca 0.23 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 56.11 1lm0 n LEU 99 Cb 0.66 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.44 1lm0 n LEU 99 CO 0.26 0.00 0.34 -0.76 -1.22 0.00 0.00 177.39 176.01 1lm0 s LEU 100 N 0.00 -0.24 0.00 2.23 1.43 -1.26 -4.83 118.68 116.01 1lm0 s LEU 100 Ca 0.00 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1lm0 s LEU 100 Cb 0.00 2.39 0.00 0.00 0.03 0.00 0.00 46.19 48.61 1lm0 s LEU 100 CO 0.00 -1.00 0.00 -0.81 0.23 0.00 0.00 176.35 174.77 1lm0 n PRO 101 N -0.35 0.00 0.00 1.29 -0.04 -1.26 -4.23 135.00 130.41 1lm0 n PRO 101 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1lm0 n PRO 101 Cb 0.64 -0.20 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 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 -0.01 0.39 0.00 3.54 9.92 -1.26 -4.74 116.55 124.40 1lm0 n ASP 102 Ca 0.00 -0.84 0.00 0.00 -0.53 0.00 0.00 54.79 53.42 1lm0 n ASP 102 Cb 0.00 -0.20 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 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 0.24 0.75 -2.94 0.64 -0.00 -1.26 -3.59 117.00 110.83 1lm0 n LEU 103 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.00 1lm0 n LEU 103 Cb 0.10 -1.22 0.00 0.00 -0.00 0.00 0.00 43.42 42.30 1lm0 n LEU 103 CO 0.00 -0.41 -0.48 0.33 -0.00 0.00 0.00 177.39 176.82 1lm0 n PHE 104 N -1.27 -2.31 -2.57 1.47 7.35 -1.26 -4.96 117.46 113.92 1lm0 n PHE 104 Ca 0.00 1.02 -0.36 0.00 -0.76 0.00 0.00 57.45 57.35 1lm0 n PHE 104 Cb 0.04 -2.72 -0.04 0.00 0.35 0.00 0.00 39.48 37.11 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 -1.41 4.10 -0.47 -4.13 0.52 -1.24 -4.93 118.95 111.38 1lm0 s ARG 105 Ca 0.01 1.45 -0.26 0.00 -0.52 0.00 0.00 55.73 56.41 1lm0 s ARG 105 Cb -0.00 -2.42 0.03 0.00 0.52 0.00 0.00 34.95 33.07 1lm0 s ARG 105 CO 0.46 -0.19 0.95 -1.21 0.02 0.00 0.00 175.30 175.33 1lm0 s GLU 106 N -2.70 3.53 0.00 3.54 8.01 -1.26 -4.12 118.70 125.71 1lm0 s GLU 106 Ca 0.60 0.16 0.00 0.00 0.01 0.00 0.00 54.97 55.74 1lm0 s GLU 106 Cb -0.20 -3.94 0.00 0.00 -4.31 0.00 0.00 34.13 25.69 1lm0 s GLU 106 CO 0.25 -1.26 0.00 0.41 0.01 0.00 0.00 175.26 174.66 1lm0 n GLY 107 N 4.94 0.77 3.76 -1.39 0.00 -1.26 -4.75 105.19 107.26 1lm0 n GLY 107 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 2.17 0.01 1.61 -2.07 -1.26 -5.06 119.66 115.06 1lm0 s GLN 108 Ca 0.00 -1.47 0.05 0.00 -1.82 0.00 0.00 55.36 52.12 1lm0 s GLN 108 Cb 0.00 0.60 -0.02 0.00 -1.09 0.00 0.00 33.01 32.50 1lm0 s GLN 108 CO 0.00 -1.00 -0.16 0.20 -1.32 0.00 0.00 175.29 173.01 1lm0 s GLY 109 N -3.09 0.83 0.18 2.60 0.00 -1.26 -2.42 107.32 104.17 1lm0 s GLY 109 Ca 0.18 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 44.15 1lm0 s GLY 109 CO 0.13 -0.69 -0.01 -0.26 0.00 0.00 0.00 173.10 172.27 1lm0 s ILE 110 N -0.56 0.80 -0.17 0.90 -5.25 -0.48 -4.49 121.20 111.95 1lm0 s ILE 110 Ca 0.05 -2.00 -0.01 0.00 -0.99 0.00 0.00 60.65 57.71 1lm0 s ILE 110 Cb -0.07 -2.15 -0.00 0.00 2.95 0.00 0.00 42.46 43.18 1lm0 s ILE 110 CO 0.00 -0.46 -0.13 0.68 -1.79 0.00 0.00 174.94 173.24 1lm0 s VAL 111 N -3.57 2.79 0.02 8.37 -7.23 -0.85 -2.42 120.40 117.49 1lm0 s VAL 111 Ca 0.24 -0.72 0.09 0.00 -1.81 0.00 0.00 61.98 59.78 1lm0 s VAL 111 Cb 0.06 -2.19 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 1lm0 s VAL 111 CO 0.05 0.50 -0.26 0.00 -0.31 0.00 0.00 175.10 175.08 1lm0 s ALA 112 N 0.93 2.22 0.01 1.32 0.00 0.34 -0.62 121.76 125.95 1lm0 s ALA 112 Ca -0.03 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1lm0 s ALA 112 Cb -0.15 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 1lm0 s ALA 112 CO -0.01 0.53 -0.02 -1.14 0.00 0.00 0.00 175.76 175.12 1lm0 s GLN 113 N -0.96 0.20 0.00 0.00 -0.44 0.99 -0.19 119.66 119.26 1lm0 s GLN 113 Ca 0.11 -0.31 0.00 0.00 -2.50 0.00 0.00 55.36 52.66 1lm0 s GLN 113 Cb -0.10 -0.02 0.00 0.00 -1.64 0.00 0.00 33.01 31.25 1lm0 s GLN 113 CO 0.01 -0.00 0.00 0.41 0.50 0.00 0.00 175.29 176.20 1lm0 n GLY 114 N 2.38 -0.14 3.13 2.59 0.00 -1.20 -0.68 105.19 111.27 1lm0 n GLY 114 Ca -0.17 0.52 -0.12 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 0.03 0.30 1.61 0.11 -0.04 -3.56 120.40 118.84 1lm0 s VAL 115 Ca 0.00 -0.24 -0.27 0.00 -2.93 0.00 0.00 61.98 58.54 1lm0 s VAL 115 Cb 0.00 -0.39 -0.10 0.00 -1.53 0.00 0.00 36.38 34.36 1lm0 s VAL 115 CO 0.00 -0.13 0.95 -0.76 -3.33 0.00 0.00 175.10 171.83 1lm0 s LEU 116 N -0.45 4.43 0.00 2.54 1.02 -0.13 -0.66 118.68 125.42 1lm0 s LEU 116 Ca -0.06 1.89 0.00 0.00 0.02 0.00 0.00 54.13 55.99 1lm0 s LEU 116 Cb -0.04 -3.89 0.00 0.00 0.02 0.00 0.00 46.19 42.28 1lm0 s LEU 116 CO 0.01 -0.03 0.72 0.61 0.02 0.00 0.00 176.35 177.69 1lm0 n GLY 117 N 0.84 0.23 0.00 -3.19 0.00 -1.23 0.13 105.19 101.98 1lm0 n GLY 117 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1lm0 n GLY 117 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1lm0 n GLU 118 N 0.00 -0.08 -3.68 1.61 2.13 -1.24 -5.01 120.64 114.37 1lm0 n GLU 118 Ca -0.20 -0.31 -0.23 0.00 0.66 0.00 0.00 57.16 57.08 1lm0 n GLU 118 Cb 0.57 -0.68 0.03 0.00 0.27 0.00 0.00 31.44 31.64 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 -0.03 -2.31 0.00 4.31 2.03 -1.26 -4.46 116.55 114.83 1lm0 n ASP 119 Ca 0.00 -0.86 0.00 0.00 0.52 0.00 0.00 54.79 54.45 1lm0 n ASP 119 Cb 0.21 -3.94 0.00 0.00 -0.72 0.00 0.00 41.12 36.67 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 -1.60 -0.11 4.00 0.27 0.00 -1.26 -4.90 105.19 101.58 1lm0 n GLY 120 Ca -0.24 0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 2.76 -0.10 1.61 3.01 -1.26 -4.39 119.74 121.37 1lm0 s LYS 121 Ca 0.00 -1.30 0.03 0.00 -1.01 0.00 0.00 55.97 53.69 1lm0 s LYS 121 Cb 0.00 -2.71 -0.00 0.00 -1.01 0.00 0.00 37.83 34.10 1lm0 s LYS 121 CO 0.00 -0.30 -0.22 -0.51 0.51 0.00 0.00 175.35 174.83 1lm0 s LEU 122 N -4.35 2.21 -0.59 3.17 1.02 -1.24 -3.47 118.68 115.43 1lm0 s LEU 122 Ca 0.55 -0.51 -0.17 0.00 0.02 0.00 0.00 54.13 54.01 1lm0 s LEU 122 Cb -0.09 -1.45 0.12 0.00 0.02 0.00 0.00 46.19 44.80 1lm0 s LEU 122 CO 0.33 0.17 0.63 0.00 0.02 0.00 0.00 176.35 177.49 1lm0 s ALA 123 N 0.30 3.57 0.20 4.21 0.00 0.17 -0.41 121.76 129.79 1lm0 s ALA 123 Ca -0.16 -2.46 -0.02 0.00 0.00 0.00 0.00 51.96 49.32 1lm0 s ALA 123 Cb -0.17 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1lm0 s ALA 123 CO 0.08 -2.21 0.40 0.00 0.00 0.00 0.00 175.76 174.03 1lm0 s ALA 124 N 2.02 3.81 0.00 0.00 0.00 -0.10 -0.86 121.76 126.63 1lm0 s ALA 124 Ca 0.09 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1lm0 s ALA 124 Cb -0.25 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 20.83 1lm0 s ALA 124 CO 0.03 0.47 0.00 -2.37 0.00 0.00 0.00 175.76 173.89 1lm0 n THR 125 N -0.54 0.00 -3.07 0.00 5.66 0.14 -4.38 114.28 112.09 1lm0 n THR 125 Ca -0.04 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.53 1lm0 n THR 125 Cb 0.53 -0.13 -0.06 0.00 -1.55 0.00 0.00 70.33 69.12 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 -1.22 3.27 -0.03 1.09 2.02 -0.52 -4.95 118.70 118.37 1lm0 s GLU 126 Ca 0.00 -0.41 0.04 0.00 0.02 0.00 0.00 54.97 54.62 1lm0 s GLU 126 Cb 0.00 -3.98 -0.03 0.00 0.10 0.00 0.00 34.13 30.22 1lm0 s GLU 126 CO 0.00 -1.11 -0.14 0.14 0.02 0.00 0.00 175.26 174.17 1lm0 s VAL 127 N 2.98 3.12 -0.20 2.63 -7.23 -1.26 -0.00 120.40 120.43 1lm0 s VAL 127 Ca 0.23 -0.78 0.01 0.00 -1.81 0.00 0.00 61.98 59.63 1lm0 s VAL 127 Cb -0.14 -2.25 0.03 0.00 0.56 0.00 0.00 36.38 34.58 1lm0 s VAL 127 CO 0.18 0.53 -0.16 -0.76 -0.31 0.00 0.00 175.10 174.59 1lm0 s LEU 128 N -0.91 2.43 -1.11 1.32 2.01 0.21 -4.92 118.68 117.71 1lm0 s LEU 128 Ca 0.13 -0.85 -0.03 0.00 0.01 0.00 0.00 54.13 53.39 1lm0 s LEU 128 Cb -0.11 -1.44 0.27 0.00 0.01 0.00 0.00 46.19 44.92 1lm0 s LEU 128 CO 0.02 -0.07 1.89 0.00 1.01 0.00 0.00 176.35 179.20 1lm0 n ALA 129 N 4.59 6.04 -1.37 4.21 0.00 -1.26 -2.02 120.51 130.71 1lm0 n ALA 129 Ca -0.18 -4.52 -0.27 0.00 0.00 0.00 0.00 53.44 48.47 1lm0 n ALA 129 Cb 0.48 -2.37 -0.08 0.00 0.00 0.00 0.00 19.45 17.47 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 0.71 2.92 -3.91 0.00 0.00 -1.26 -4.75 118.16 111.87 1lm0 n LYS 130 Ca 0.46 -2.05 -0.28 0.00 -0.00 0.00 0.00 58.31 56.44 1lm0 n LYS 130 Cb 0.27 -2.32 -0.12 0.00 -0.00 0.00 0.00 35.03 32.86 1lm0 n LYS 130 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1lm0 s HIS 131 N 0.12 3.48 0.00 5.58 2.46 -1.26 -5.05 115.29 120.63 1lm0 s HIS 131 Ca 0.63 -3.31 0.00 0.00 0.47 0.00 0.00 55.06 52.86 1lm0 s HIS 131 Cb 0.28 -2.72 0.00 0.00 -0.13 0.00 0.00 32.58 30.01 1lm0 s HIS 131 CO -0.09 -0.59 0.45 -0.25 -2.47 0.00 0.00 174.74 171.80