#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 7.42 -0.54 6.43 0.01 -1.26 -5.04 114.94 121.96 1lm0 s ASN 33 Ca 0.00 1.69 -0.08 0.00 -0.71 0.00 0.00 52.86 53.76 1lm0 s ASN 33 Cb 0.00 -2.55 0.14 0.00 0.41 0.00 0.00 41.25 39.25 1lm0 s ASN 33 CO 0.00 -0.05 0.41 -0.76 -1.51 0.00 0.00 177.10 175.19 1lm0 s LEU 34 N -0.00 5.74 -0.50 0.60 1.02 -1.26 -4.96 118.68 119.31 1lm0 s LEU 34 Ca 0.45 -2.19 0.07 0.00 0.02 0.00 0.00 54.13 52.48 1lm0 s LEU 34 Cb -0.22 -2.00 0.19 0.00 0.02 0.00 0.00 46.19 44.17 1lm0 s LEU 34 CO 0.28 -0.62 0.69 0.21 0.02 0.00 0.00 176.35 176.93 1lm0 s ASN 35 N 2.22 -1.24 0.30 2.29 2.47 -1.26 -4.50 114.94 115.22 1lm0 s ASN 35 Ca 0.09 -1.72 0.03 0.00 0.42 0.00 0.00 52.86 51.69 1lm0 s ASN 35 Cb -0.23 1.74 -0.06 0.00 -1.45 0.00 0.00 41.25 41.25 1lm0 s ASN 35 CO -0.02 -0.07 0.06 -1.48 -3.72 0.00 0.00 177.10 171.86 1lm0 s LEU 36 N 0.93 2.10 -0.11 3.21 2.34 -1.26 -4.88 118.68 121.01 1lm0 s LEU 36 Ca 0.28 -1.36 -0.26 0.00 0.06 0.00 0.00 54.13 52.86 1lm0 s LEU 36 Cb -0.00 -0.31 -0.02 0.00 -0.56 0.00 0.00 46.19 45.29 1lm0 s LEU 36 CO -0.06 -0.61 0.83 -0.36 -1.06 0.00 0.00 176.35 175.08 1lm0 s PHE 37 N -3.37 3.51 0.07 3.48 0.08 -1.26 -0.46 117.98 120.04 1lm0 s PHE 37 Ca 0.36 1.34 0.05 0.00 0.12 0.00 0.00 56.93 58.80 1lm0 s PHE 37 Cb 0.08 -2.98 -0.03 0.00 -0.57 0.00 0.00 43.02 39.52 1lm0 s PHE 37 CO 0.15 -0.11 -0.13 -0.47 -0.10 0.00 0.00 175.22 174.55 1lm0 s TYR 38 N 1.59 1.18 -0.10 0.36 5.04 0.68 -4.94 117.35 121.16 1lm0 s TYR 38 Ca 0.41 -0.48 -0.30 0.00 -2.44 0.00 0.00 57.07 54.26 1lm0 s TYR 38 Cb -0.18 -0.66 -0.02 0.00 0.35 0.00 0.00 41.96 41.45 1lm0 s TYR 38 CO 0.17 0.05 1.16 0.99 -1.34 0.00 0.00 175.55 176.57 1lm0 s THR 39 N -1.43 4.40 0.23 4.34 2.01 -1.26 -0.69 115.64 123.24 1lm0 s THR 39 Ca -0.01 1.71 -0.06 0.00 0.31 0.00 0.00 61.69 63.63 1lm0 s THR 39 Cb -0.09 -4.10 0.18 0.00 0.01 0.00 0.00 72.50 68.50 1lm0 s THR 39 CO 0.02 -0.04 1.80 1.55 -0.69 0.00 0.00 174.62 177.26 1lm0 h PRO 40 N 7.50 0.67 0.00 4.92 0.13 -1.89 -0.77 132.00 142.56 1lm0 h PRO 40 Ca -0.31 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1lm0 h PRO 40 Cb 1.14 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 1lm0 h PRO 40 CO 0.90 0.45 -0.00 0.77 -0.23 0.00 0.00 178.00 179.88 1lm0 h SER 41 N 0.69 0.00 0.40 1.44 0.02 -1.88 -1.64 113.55 112.59 1lm0 h SER 41 Ca 0.36 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.29 1lm0 h SER 41 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1lm0 h SER 41 CO -0.24 0.00 -0.19 -0.08 -1.14 0.00 0.00 176.83 175.18 1lm0 h GLU 42 N 0.00 -0.52 -1.39 3.45 4.57 -1.50 -3.34 114.58 115.85 1lm0 h GLU 42 Ca -0.00 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1lm0 h GLU 42 Cb 0.01 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1lm0 h GLU 42 CO 0.00 -0.21 0.00 0.44 -1.18 0.00 0.00 179.01 178.06 1lm0 n ILE 43 N -5.16 0.69 -0.06 2.32 -5.35 -0.62 -2.18 119.36 109.00 1lm0 n ILE 43 Ca -0.09 -0.02 -0.06 0.00 -0.27 0.00 0.00 62.75 62.31 1lm0 n ILE 43 Cb 0.28 -0.85 -0.10 0.00 -1.74 0.00 0.00 39.64 37.23 1lm0 n ILE 43 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 1lm0 n VAL 44 N 0.74 0.84 0.00 7.28 3.14 -1.20 -4.24 118.33 124.89 1lm0 n VAL 44 Ca 0.00 -0.53 0.00 0.00 -2.96 0.00 0.00 64.34 60.85 1lm0 n VAL 44 Cb 0.32 -0.64 0.00 0.00 -1.06 0.00 0.00 33.84 32.46 1lm0 n VAL 44 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1lm0 n ASN 45 N -2.46 0.00 -3.66 6.55 3.02 -0.92 -4.67 115.26 113.12 1lm0 n ASN 45 Ca -0.20 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.94 1lm0 n ASN 45 Cb 0.90 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 40.06 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 5.00 4.64 0.00 7.41 0.00 -1.26 -3.88 105.19 117.10 1lm0 n GLY 46 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 4.17 0.00 0.07 1.61 4.76 -1.26 -4.48 118.16 123.03 1lm0 n LYS 47 Ca 0.54 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.80 1lm0 n LYS 47 Cb 0.33 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.42 1lm0 n LYS 47 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1lm0 h THR 48 N 0.00 1.33 -0.05 -0.18 1.03 -1.83 0.41 112.91 113.62 1lm0 h THR 48 Ca 0.00 -2.41 0.01 0.00 -0.01 0.00 0.00 66.41 64.00 1lm0 h THR 48 Cb 0.00 2.51 -0.02 0.00 -1.07 0.00 0.00 68.15 69.57 1lm0 h THR 48 CO 0.00 0.73 -0.04 -0.78 -0.01 0.00 0.00 175.52 175.43 1lm0 h ASP 49 N 0.30 -0.12 1.43 0.00 1.82 -1.81 -2.44 116.42 115.59 1lm0 h ASP 49 Ca -0.13 0.03 -0.11 0.00 -0.39 0.00 0.00 57.03 56.43 1lm0 h ASP 49 Cb 1.74 0.06 -0.02 0.00 0.68 0.00 0.00 39.33 41.80 1lm0 h ASP 49 CO 0.20 -0.05 -0.58 0.74 -1.61 0.00 0.00 179.24 177.93 1lm0 h THR 50 N -0.04 0.81 -3.07 2.25 2.02 -1.67 -3.43 112.91 109.78 1lm0 h THR 50 Ca 0.04 -2.17 -0.15 0.00 0.77 0.00 0.00 66.41 64.90 1lm0 h THR 50 Cb 0.09 2.37 0.06 0.00 -1.74 0.00 0.00 68.15 68.94 1lm0 h THR 50 CO -0.08 0.46 -0.28 0.61 0.37 0.00 0.00 175.52 176.60 1lm0 n GLY 51 N 1.24 0.29 0.13 2.16 0.00 0.14 -4.95 105.19 104.19 1lm0 n GLY 51 Ca 0.01 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.06 1.54 -0.01 1.61 0.24 -0.78 -4.89 118.33 112.99 1lm0 n VAL 52 Ca -0.04 -0.53 -0.02 0.00 -2.04 0.00 0.00 64.34 61.72 1lm0 n VAL 52 Cb 0.54 -1.57 -0.01 0.00 -1.47 0.00 0.00 33.84 31.34 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 -3.51 0.12 -1.67 7.34 4.76 -1.26 -5.03 118.16 118.91 1lm0 n LYS 53 Ca -0.45 0.05 -0.29 0.00 -2.87 0.00 0.00 58.31 54.74 1lm0 n LYS 53 Cb 0.97 -0.56 0.13 0.00 -1.84 0.00 0.00 35.03 33.73 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 -1.62 1.23 0.05 1.97 0.04 -1.26 -5.09 135.00 130.32 1lm0 s PRO 54 Ca -0.06 0.14 -0.01 0.00 0.04 0.00 0.00 61.00 61.10 1lm0 s PRO 54 Cb 0.01 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 1lm0 s PRO 54 CO 0.09 -2.11 -0.01 -1.21 0.04 0.00 0.00 177.00 173.80 1lm0 s GLU 55 N -5.45 0.58 0.06 4.56 0.41 -1.26 -4.67 118.70 112.93 1lm0 s GLU 55 Ca 0.65 -1.11 -0.31 0.00 -0.41 0.00 0.00 54.97 53.79 1lm0 s GLU 55 Cb -0.12 0.21 -0.07 0.00 -1.78 0.00 0.00 34.13 32.36 1lm0 s GLU 55 CO 0.52 -0.11 1.46 0.00 -0.49 0.00 0.00 175.26 176.64 1lm0 s ALA 56 N -3.56 3.62 0.00 5.21 0.00 -1.26 -3.25 121.76 122.51 1lm0 s ALA 56 Ca 0.04 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1lm0 s ALA 56 Cb 0.05 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1lm0 s ALA 56 CO -0.09 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.23 1lm0 n GLY 57 N 3.68 1.63 3.88 0.00 0.00 0.17 -4.88 105.19 109.66 1lm0 n GLY 57 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 3.73 0.03 1.61 -0.21 -1.20 -4.74 119.66 118.89 1lm0 s GLN 58 Ca 0.00 0.12 -0.24 0.00 0.02 0.00 0.00 55.36 55.26 1lm0 s GLN 58 Cb 0.00 -2.81 -0.05 0.00 1.00 0.00 0.00 33.01 31.14 1lm0 s GLN 58 CO 0.00 0.43 0.73 1.03 -2.12 0.00 0.00 175.29 175.37 1lm0 s ARG 59 N -2.52 4.46 0.29 2.91 0.52 -1.26 -0.92 118.95 122.43 1lm0 s ARG 59 Ca 0.41 1.00 -0.03 0.00 -0.52 0.00 0.00 55.73 56.60 1lm0 s ARG 59 Cb -0.12 -3.36 -0.01 0.00 0.52 0.00 0.00 34.95 31.97 1lm0 s ARG 59 CO 0.22 0.30 0.37 0.96 0.02 0.00 0.00 175.30 177.16 1lm0 s ILE 60 N -0.07 0.00 -0.15 1.52 -4.36 -1.25 -4.42 121.20 112.46 1lm0 s ILE 60 Ca 0.37 -1.71 0.02 0.00 -0.26 0.00 0.00 60.65 59.07 1lm0 s ILE 60 Cb -0.20 -2.50 0.01 0.00 1.25 0.00 0.00 42.46 41.02 1lm0 s ILE 60 CO 0.22 0.00 -0.20 -0.13 0.24 0.00 0.00 174.94 175.07 1lm0 s ARG 61 N -3.55 2.87 -0.06 0.37 0.52 0.40 -3.07 118.95 116.43 1lm0 s ARG 61 Ca 0.32 -0.79 -0.21 0.00 -0.52 0.00 0.00 55.73 54.53 1lm0 s ARG 61 Cb 0.02 -2.40 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 1lm0 s ARG 61 CO 0.17 -0.10 0.60 0.54 0.02 0.00 0.00 175.30 176.53 1lm0 s VAL 62 N 1.04 5.03 -0.07 3.52 0.11 0.33 -0.23 120.40 130.13 1lm0 s VAL 62 Ca -0.02 1.24 -0.01 0.00 -2.93 0.00 0.00 61.98 60.26 1lm0 s VAL 62 Cb -0.14 -3.94 0.03 0.00 -1.53 0.00 0.00 36.38 30.79 1lm0 s VAL 62 CO -0.06 0.33 -0.00 -0.83 -3.33 0.00 0.00 175.10 171.21 1lm0 s GLY 63 N 0.37 0.46 0.02 6.54 0.00 0.13 -0.28 107.32 114.57 1lm0 s GLY 63 Ca 0.32 -0.11 -0.06 0.00 0.00 0.00 0.00 44.72 44.87 1lm0 s GLY 63 CO 0.16 1.02 0.29 0.61 0.00 0.00 0.00 173.10 175.18 1lm0 n GLY 64 N 4.96 0.82 3.70 0.20 0.00 -0.81 -4.07 105.19 109.99 1lm0 n GLY 64 Ca -0.10 -0.93 -0.38 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 -2.01 4.27 0.40 1.61 0.23 0.11 -1.36 119.30 122.54 1lm0 s MET 65 Ca 0.07 0.38 -0.23 0.00 -1.03 0.00 0.00 55.69 54.87 1lm0 s MET 65 Cb -0.00 -3.48 -0.10 0.00 -1.53 0.00 0.00 34.83 29.72 1lm0 s MET 65 CO 0.01 0.05 1.00 0.08 -2.03 0.00 0.00 175.02 174.13 1lm0 s VAL 66 N 0.98 4.02 0.00 5.16 1.01 0.27 -2.26 120.40 129.58 1lm0 s VAL 66 Ca 0.24 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.69 1lm0 s VAL 66 Cb -0.15 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1lm0 s VAL 66 CO 0.09 -0.06 0.00 0.41 0.00 0.00 0.00 175.10 175.54 1lm0 n THR 67 N -0.14 0.00 0.00 3.92 -1.04 -1.26 -2.69 114.28 113.07 1lm0 n THR 67 Ca 0.05 0.48 0.00 0.00 -2.04 0.00 0.00 64.05 62.54 1lm0 n THR 67 Cb 0.51 -1.37 0.00 0.00 -1.82 0.00 0.00 70.33 67.65 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 0.00 0.00 -2.72 12.58 3.14 -1.26 -3.35 118.33 126.71 1lm0 n VAL 68 Ca 0.00 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.37 1lm0 n VAL 68 Cb 0.00 0.00 0.08 0.00 -1.06 0.00 0.00 33.84 32.86 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 0.00 1.86 0.13 7.55 0.00 -1.26 -4.71 105.19 108.76 1lm0 n GLY 69 Ca 0.00 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.54 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 1.71 0.00 -2.90 1.61 0.02 -1.93 -3.46 113.55 108.60 1lm0 h SER 70 Ca -0.30 -0.03 -0.55 0.00 -0.84 0.00 0.00 61.79 60.06 1lm0 h SER 70 Cb 1.31 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 1lm0 h SER 70 CO -0.01 0.02 0.85 -0.32 -1.14 0.00 0.00 176.83 176.22 1lm0 s MET 71 N -3.29 4.27 -0.07 3.45 1.75 -1.26 -4.19 119.30 119.96 1lm0 s MET 71 Ca 0.03 1.89 0.05 0.00 -1.25 0.00 0.00 55.69 56.41 1lm0 s MET 71 Cb 0.09 -3.64 -0.00 0.00 2.84 0.00 0.00 34.83 34.11 1lm0 s MET 71 CO 0.75 -0.60 -0.22 0.14 -0.65 0.00 0.00 175.02 174.43 1lm0 s VAL 72 N 2.72 1.89 0.17 10.11 -7.23 -0.01 -5.00 120.40 123.04 1lm0 s VAL 72 Ca 0.62 -0.94 0.10 0.00 -1.81 0.00 0.00 61.98 59.95 1lm0 s VAL 72 Cb -0.29 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 1lm0 s VAL 72 CO 0.24 0.52 -0.18 0.00 -0.31 0.00 0.00 175.10 175.38 1lm0 s ARG 73 N 0.16 1.76 0.85 4.82 1.70 -1.26 -0.93 118.95 126.05 1lm0 s ARG 73 Ca -0.11 -1.36 -0.12 0.00 -0.47 0.00 0.00 55.73 53.67 1lm0 s ARG 73 Cb -0.16 -2.02 0.10 0.00 -0.57 0.00 0.00 34.95 32.31 1lm0 s ARG 73 CO 0.06 0.43 1.17 -0.51 -1.08 0.00 0.00 175.30 175.37 1lm0 s ASP 74 N -2.60 4.13 0.19 -2.89 1.11 -0.09 -4.99 116.67 111.53 1lm0 s ASP 74 Ca 0.21 0.83 0.02 0.00 0.18 0.00 0.00 52.55 53.80 1lm0 s ASP 74 Cb -0.09 -1.34 0.08 0.00 1.07 0.00 0.00 42.92 42.64 1lm0 s ASP 74 CO 0.12 -2.15 1.44 1.55 1.18 0.00 0.00 175.17 177.31 1lm0 h PRO 75 N -1.22 0.25 -1.00 8.23 0.13 -2.01 -3.34 132.00 133.04 1lm0 h PRO 75 Ca -0.47 -0.23 0.29 0.00 -0.87 0.00 0.00 66.00 64.72 1lm0 h PRO 75 Cb 1.33 0.05 -0.14 0.00 0.13 0.00 0.00 31.00 32.37 1lm0 h PRO 75 CO 0.64 0.90 0.57 -0.91 -0.23 0.00 0.00 178.00 178.97 1lm0 h ASN 76 N 0.16 0.56 -0.05 1.44 2.35 -1.94 -3.45 115.58 114.65 1lm0 h ASN 76 Ca -0.03 0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1lm0 h ASN 76 Cb 1.35 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.82 1lm0 h ASN 76 CO 0.12 -0.05 -0.02 -1.20 -1.65 0.00 0.00 177.43 174.63 1lm0 n SER 77 N -5.00 -3.17 -0.46 5.81 7.64 -1.26 -4.89 113.62 112.29 1lm0 n SER 77 Ca 0.30 0.03 0.06 0.00 1.01 0.00 0.00 58.87 60.27 1lm0 n SER 77 Cb 0.89 -0.77 0.12 0.00 -1.01 0.00 0.00 64.21 63.44 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 -0.12 1.89 -3.64 -3.43 -0.00 -1.26 -4.02 117.00 106.42 1lm0 n LEU 78 Ca -0.01 -2.83 -0.16 0.00 -0.00 0.00 0.00 56.01 53.01 1lm0 n LEU 78 Cb 0.04 -0.33 -0.14 0.00 -0.00 0.00 0.00 43.42 42.98 1lm0 n LEU 78 CO 0.02 0.80 -0.20 -1.00 -0.00 0.00 0.00 177.39 177.01 1lm0 s HIS 79 N -2.15 -0.28 0.01 1.47 3.76 -1.26 -2.17 115.29 114.67 1lm0 s HIS 79 Ca 0.28 0.69 0.00 0.00 -0.15 0.00 0.00 55.06 55.89 1lm0 s HIS 79 Cb 0.27 -0.19 -0.01 0.00 1.11 0.00 0.00 32.58 33.76 1lm0 s HIS 79 CO -0.03 -0.34 -0.01 0.14 -0.85 0.00 0.00 174.74 173.65 1lm0 s VAL 80 N 2.34 0.06 0.05 -0.90 -7.23 0.13 -0.91 120.40 113.95 1lm0 s VAL 80 Ca 0.03 -0.33 -0.01 0.00 -1.81 0.00 0.00 61.98 59.86 1lm0 s VAL 80 Cb -0.12 -0.11 -0.04 0.00 0.56 0.00 0.00 36.38 36.66 1lm0 s VAL 80 CO -0.08 -0.17 -0.03 0.00 -0.31 0.00 0.00 175.10 174.51 1lm0 s GLN 81 N -0.52 0.61 0.12 4.82 -2.07 -0.10 -0.37 119.66 122.14 1lm0 s GLN 81 Ca -0.06 -1.18 -0.18 0.00 -1.82 0.00 0.00 55.36 52.13 1lm0 s GLN 81 Cb -0.04 0.15 0.04 0.00 -1.09 0.00 0.00 33.01 32.08 1lm0 s GLN 81 CO -0.00 -0.09 0.44 -0.59 -1.32 0.00 0.00 175.29 173.73 1lm0 s PHE 82 N -3.65 -0.28 0.03 9.60 -0.12 -0.03 -0.83 117.98 122.70 1lm0 s PHE 82 Ca 0.05 0.03 -0.00 0.00 -0.05 0.00 0.00 56.93 56.96 1lm0 s PHE 82 Cb 0.06 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 1lm0 s PHE 82 CO -0.09 -0.71 0.13 0.00 -0.05 0.00 0.00 175.22 174.51 1lm0 s ALA 83 N -3.58 3.77 -0.03 1.99 0.00 -1.26 -0.38 121.76 122.27 1lm0 s ALA 83 Ca 0.01 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.04 1lm0 s ALA 83 Cb 0.01 -1.68 0.01 0.00 0.00 0.00 0.00 23.12 21.46 1lm0 s ALA 83 CO -0.11 0.75 0.15 0.54 0.00 0.00 0.00 175.76 177.09 1lm0 s VAL 84 N -1.34 0.04 0.29 0.00 0.11 -0.17 -4.25 120.40 115.08 1lm0 s VAL 84 Ca 0.28 -0.33 0.03 0.00 -2.93 0.00 0.00 61.98 59.03 1lm0 s VAL 84 Cb -0.12 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 1lm0 s VAL 84 CO 0.20 -0.18 0.25 -1.38 -3.33 0.00 0.00 175.10 170.66 1lm0 s HIS 85 N -0.62 1.46 -0.09 1.54 -3.43 -0.96 -0.75 115.29 112.45 1lm0 s HIS 85 Ca -0.07 -1.51 0.13 0.00 -0.80 0.00 0.00 55.06 52.80 1lm0 s HIS 85 Cb -0.04 -0.59 0.20 0.00 -1.43 0.00 0.00 32.58 30.72 1lm0 s HIS 85 CO 0.01 -0.82 1.10 -3.47 -2.00 0.00 0.00 174.74 169.56 1lm0 n ASP 86 N -1.08 2.21 -2.08 7.38 2.03 -1.26 0.04 116.55 123.81 1lm0 n ASP 86 Ca 0.05 -2.74 -0.14 0.00 0.52 0.00 0.00 54.79 52.48 1lm0 n ASP 86 Cb 0.63 -0.30 -0.02 0.00 -0.72 0.00 0.00 41.12 40.72 1lm0 n ASP 86 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1lm0 n SER 87 N -1.14 -3.99 -0.06 1.67 7.64 -1.26 -4.86 113.62 111.62 1lm0 n SER 87 Ca 0.11 0.22 -0.05 0.00 1.01 0.00 0.00 58.87 60.17 1lm0 n SER 87 Cb 0.52 -3.48 -0.02 0.00 -1.01 0.00 0.00 64.21 60.23 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 -2.51 1.41 0.00 -3.43 4.77 -1.26 -5.01 117.00 110.97 1lm0 n LEU 88 Ca -0.15 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1lm0 n LEU 88 Cb 0.56 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1lm0 n LEU 88 CO 0.19 -0.43 0.00 0.61 -1.33 0.00 0.00 177.39 176.43 1lm0 n GLY 89 N 1.59 -0.98 0.00 -0.72 0.00 -1.26 -5.16 105.19 98.66 1lm0 n GLY 89 Ca -0.07 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1lm0 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lm0 n GLY 90 N 0.00 1.63 3.03 -0.02 0.00 -1.26 -4.98 105.19 103.59 1lm0 n GLY 90 Ca 0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.88 0.51 -0.02 1.61 2.12 -1.26 -4.00 118.70 115.78 1lm0 s GLU 91 Ca 0.00 -0.53 0.05 0.00 0.36 0.00 0.00 54.97 54.85 1lm0 s GLU 91 Cb 0.00 -0.37 -0.01 0.00 0.26 0.00 0.00 34.13 34.00 1lm0 s GLU 91 CO 0.00 0.08 -0.18 -1.50 -0.54 0.00 0.00 175.26 173.13 1lm0 s ILE 92 N -0.85 1.40 0.07 -3.70 -1.16 0.08 -4.81 121.20 112.22 1lm0 s ILE 92 Ca -0.05 -0.75 -0.21 0.00 -0.51 0.00 0.00 60.65 59.13 1lm0 s ILE 92 Cb -0.07 -1.17 -0.07 0.00 0.61 0.00 0.00 42.46 41.77 1lm0 s ILE 92 CO 0.00 0.40 0.63 -0.76 -2.81 0.00 0.00 174.94 172.40 1lm0 s LEU 93 N -0.35 4.51 -0.04 8.50 1.43 -1.26 -1.00 118.68 130.47 1lm0 s LEU 93 Ca 0.05 1.33 0.05 0.00 -1.03 0.00 0.00 54.13 54.54 1lm0 s LEU 93 Cb -0.07 -3.01 -0.01 0.00 0.03 0.00 0.00 46.19 43.13 1lm0 s LEU 93 CO -0.00 0.20 -0.19 -0.69 0.23 0.00 0.00 176.35 175.89 1lm0 s VAL 94 N -0.81 1.60 0.20 -1.59 1.01 0.49 -3.31 120.40 117.99 1lm0 s VAL 94 Ca 0.32 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1lm0 s VAL 94 Cb -0.20 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1lm0 s VAL 94 CO 0.20 0.45 0.04 0.42 0.00 0.00 0.00 175.10 176.22 1lm0 s THR 95 N -0.06 3.83 -0.25 3.92 -4.23 0.34 -0.85 115.64 118.34 1lm0 s THR 95 Ca -0.03 -1.48 -0.02 0.00 -1.18 0.00 0.00 61.69 58.98 1lm0 s THR 95 Cb -0.12 -2.97 0.14 0.00 1.34 0.00 0.00 72.50 70.89 1lm0 s THR 95 CO 0.02 -0.19 0.39 -0.47 -0.54 0.00 0.00 174.62 173.83 1lm0 s TYR 96 N -1.90 -0.88 -0.36 3.99 5.04 0.50 -1.39 117.35 122.35 1lm0 s TYR 96 Ca 0.29 0.76 -0.06 0.00 -2.44 0.00 0.00 57.07 55.63 1lm0 s TYR 96 Cb -0.09 0.00 -0.12 0.00 0.35 0.00 0.00 41.96 42.10 1lm0 s TYR 96 CO 0.20 -0.78 3.22 -0.40 -1.34 0.00 0.00 175.55 176.46 1lm0 n ASP 97 N 5.36 6.10 -2.71 4.32 5.75 -1.26 -0.69 116.55 133.42 1lm0 n ASP 97 Ca -0.03 -2.77 -0.05 0.00 -0.01 0.00 0.00 54.79 51.94 1lm0 n ASP 97 Cb 0.50 -1.36 0.02 0.00 -1.03 0.00 0.00 41.12 39.25 1lm0 n ASP 97 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1lm0 n ASP 98 N 2.00 -1.65 -4.75 -1.12 -0.08 -0.92 -4.71 116.55 105.31 1lm0 n ASP 98 Ca 0.49 -2.01 -0.32 0.00 -1.51 0.00 0.00 54.79 51.44 1lm0 n ASP 98 Cb 0.70 2.72 0.09 0.00 2.34 0.00 0.00 41.12 46.97 1lm0 n ASP 98 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1lm0 s LEU 99 N 0.00 3.10 0.41 -2.67 1.02 -1.26 -4.04 118.68 115.25 1lm0 s LEU 99 Ca 0.16 1.95 0.03 0.00 0.02 0.00 0.00 54.13 56.29 1lm0 s LEU 99 Cb -0.03 -4.54 -0.00 0.00 0.02 0.00 0.00 46.19 41.64 1lm0 s LEU 99 CO 0.07 -2.11 0.60 -0.76 0.02 0.00 0.00 176.35 174.17 1lm0 s LEU 100 N -5.73 3.75 0.00 1.79 1.43 -1.26 -5.07 118.68 113.59 1lm0 s LEU 100 Ca 0.64 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 1lm0 s LEU 100 Cb -0.19 -2.97 0.00 0.00 0.03 0.00 0.00 46.19 43.06 1lm0 s LEU 100 CO 0.52 -0.63 0.00 -0.81 0.23 0.00 0.00 176.35 175.66 1lm0 n PRO 101 N -1.92 0.00 -1.05 1.29 -0.04 -1.26 -4.48 135.00 127.55 1lm0 n PRO 101 Ca 0.01 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.25 1lm0 n PRO 101 Cb 0.58 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.94 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 6.28 -0.91 3.54 9.92 -1.26 -4.61 116.55 129.51 1lm0 n ASP 102 Ca 0.00 -2.45 -0.02 0.00 -0.53 0.00 0.00 54.79 51.79 1lm0 n ASP 102 Cb 0.00 -1.38 -0.01 0.00 -0.64 0.00 0.00 41.12 39.09 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 3.07 -0.12 -2.60 0.64 -0.00 -1.26 -2.61 117.00 114.11 1lm0 n LEU 103 Ca 0.54 0.05 -0.04 0.00 -0.00 0.00 0.00 56.01 56.56 1lm0 n LEU 103 Cb 0.56 -0.74 -0.04 0.00 -0.00 0.00 0.00 43.42 43.20 1lm0 n LEU 103 CO 0.45 -0.11 -0.62 0.33 -0.00 0.00 0.00 177.39 177.44 1lm0 n PHE 104 N -1.01 -4.30 -2.50 1.47 7.35 -1.26 -4.92 117.46 112.29 1lm0 n PHE 104 Ca -0.02 2.35 -0.43 0.00 -0.76 0.00 0.00 57.45 58.60 1lm0 n PHE 104 Cb 0.07 -3.91 -0.02 0.00 0.35 0.00 0.00 39.48 35.96 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 -0.93 3.74 0.84 -4.13 0.52 -1.07 -5.01 118.95 112.91 1lm0 s ARG 105 Ca -0.21 0.83 -0.12 0.00 -0.52 0.00 0.00 55.73 55.71 1lm0 s ARG 105 Cb 0.01 -3.92 0.13 0.00 0.52 0.00 0.00 34.95 31.69 1lm0 s ARG 105 CO 0.78 -1.35 1.19 -1.21 0.02 0.00 0.00 175.30 174.73 1lm0 s GLU 106 N 4.48 1.46 -1.10 3.54 2.02 -1.26 -4.42 118.70 123.42 1lm0 s GLU 106 Ca 0.53 -0.26 -0.03 0.00 0.02 0.00 0.00 54.97 55.22 1lm0 s GLU 106 Cb -0.11 -1.98 0.00 0.00 0.10 0.00 0.00 34.13 32.14 1lm0 s GLU 106 CO 0.29 -1.84 0.40 0.41 0.02 0.00 0.00 175.26 174.54 1lm0 n GLY 107 N -3.38 -0.16 3.72 -1.39 0.00 -1.10 -4.85 105.19 98.03 1lm0 n GLY 107 Ca 0.11 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.31 1.99 -0.06 1.61 -2.07 -1.25 -4.98 119.66 109.59 1lm0 s GLN 108 Ca 0.20 -1.40 -0.16 0.00 -1.82 0.00 0.00 55.36 52.18 1lm0 s GLN 108 Cb -0.09 0.56 -0.05 0.00 -1.09 0.00 0.00 33.01 32.34 1lm0 s GLN 108 CO 0.25 -0.89 0.43 0.20 -1.32 0.00 0.00 175.29 173.95 1lm0 s GLY 109 N -3.07 2.42 0.13 2.60 0.00 -1.26 -0.57 107.32 107.57 1lm0 s GLY 109 Ca 0.19 -0.22 0.04 0.00 0.00 0.00 0.00 44.72 44.72 1lm0 s GLY 109 CO 0.12 0.44 -0.09 -0.26 0.00 0.00 0.00 173.10 173.31 1lm0 s ILE 110 N -0.23 1.00 -0.12 0.90 -5.25 -0.46 -4.19 121.20 112.84 1lm0 s ILE 110 Ca 0.24 -1.98 0.01 0.00 -0.99 0.00 0.00 60.65 57.93 1lm0 s ILE 110 Cb -0.16 -1.74 0.02 0.00 2.95 0.00 0.00 42.46 43.53 1lm0 s ILE 110 CO 0.11 -0.77 -0.14 0.68 -1.79 0.00 0.00 174.94 173.04 1lm0 s VAL 111 N -3.32 1.45 -0.21 8.37 -7.23 0.28 -1.91 120.40 117.83 1lm0 s VAL 111 Ca 0.14 -0.59 0.01 0.00 -1.81 0.00 0.00 61.98 59.74 1lm0 s VAL 111 Cb 0.03 -1.35 0.03 0.00 0.56 0.00 0.00 36.38 35.64 1lm0 s VAL 111 CO -0.01 0.43 -0.17 0.00 -0.31 0.00 0.00 175.10 175.05 1lm0 s ALA 112 N 1.26 2.42 -0.03 1.32 0.00 0.61 -0.36 121.76 126.99 1lm0 s ALA 112 Ca -0.01 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1lm0 s ALA 112 Cb -0.14 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1lm0 s ALA 112 CO -0.06 -0.59 0.02 -1.14 0.00 0.00 0.00 175.76 173.99 1lm0 s GLN 113 N 1.25 2.90 0.00 0.00 -0.44 0.09 -0.51 119.66 122.95 1lm0 s GLN 113 Ca 0.01 -0.52 0.00 0.00 -2.50 0.00 0.00 55.36 52.35 1lm0 s GLN 113 Cb -0.15 -2.75 0.00 0.00 -1.64 0.00 0.00 33.01 28.47 1lm0 s GLN 113 CO -0.10 0.65 0.00 0.41 0.50 0.00 0.00 175.29 176.75 1lm0 n GLY 114 N 1.59 -0.14 3.28 2.59 0.00 -1.17 -0.62 105.19 110.72 1lm0 n GLY 114 Ca -0.16 0.61 -0.13 0.00 0.00 0.00 0.00 46.02 46.34 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 0.02 0.19 1.61 0.11 -0.02 -3.87 120.40 118.44 1lm0 s VAL 115 Ca 0.00 -0.18 -0.28 0.00 -2.93 0.00 0.00 61.98 58.59 1lm0 s VAL 115 Cb 0.00 -0.60 -0.08 0.00 -1.53 0.00 0.00 36.38 34.17 1lm0 s VAL 115 CO 0.00 -0.10 0.86 -0.76 -3.33 0.00 0.00 175.10 171.77 1lm0 s LEU 116 N -0.46 4.61 0.00 2.54 1.43 -0.10 -0.94 118.68 125.76 1lm0 s LEU 116 Ca -0.06 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 54.83 1lm0 s LEU 116 Cb -0.04 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.73 1lm0 s LEU 116 CO 0.02 0.16 0.11 0.61 0.23 0.00 0.00 176.35 177.48 1lm0 n GLY 117 N 1.63 -0.19 2.81 -3.19 0.00 -1.24 0.42 105.19 105.43 1lm0 n GLY 117 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 1.64 -3.54 1.61 -0.58 -1.18 -4.98 120.64 113.60 1lm0 n GLU 118 Ca -0.02 -3.34 -0.05 0.00 -0.42 0.00 0.00 57.16 53.32 1lm0 n GLU 118 Cb 0.22 -1.44 -0.00 0.00 -0.57 0.00 0.00 31.44 29.64 1lm0 n GLU 118 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1lm0 n ASP 119 N -0.59 -0.34 0.00 1.62 9.92 -1.26 -0.63 116.55 125.26 1lm0 n ASP 119 Ca 0.06 -0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.17 1lm0 n ASP 119 Cb 0.81 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 1lm0 n ASP 119 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1lm0 n GLY 120 N -1.09 2.76 3.58 0.44 0.00 -1.26 -4.99 105.19 104.63 1lm0 n GLY 120 Ca -0.02 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 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 1.89 -0.12 1.61 3.01 0.19 -4.68 119.74 121.65 1lm0 s LYS 121 Ca 0.00 -2.02 0.02 0.00 -1.01 0.00 0.00 55.97 52.97 1lm0 s LYS 121 Cb 0.00 -1.68 -0.00 0.00 -1.01 0.00 0.00 37.83 35.14 1lm0 s LYS 121 CO 0.00 0.05 -0.20 -0.51 0.51 0.00 0.00 175.35 175.20 1lm0 s LEU 122 N -3.66 2.29 -0.80 3.17 1.43 -1.21 -3.13 118.68 116.77 1lm0 s LEU 122 Ca 0.34 -0.50 -0.20 0.00 -1.03 0.00 0.00 54.13 52.74 1lm0 s LEU 122 Cb 0.06 -1.48 0.10 0.00 0.03 0.00 0.00 46.19 44.90 1lm0 s LEU 122 CO 0.17 0.14 1.04 0.00 0.23 0.00 0.00 176.35 177.94 1lm0 s ALA 123 N 0.45 3.26 -0.28 4.21 0.00 -0.12 -0.50 121.76 128.77 1lm0 s ALA 123 Ca -0.14 -2.36 -0.01 0.00 0.00 0.00 0.00 51.96 49.45 1lm0 s ALA 123 Cb -0.17 -3.95 0.04 0.00 0.00 0.00 0.00 23.12 19.05 1lm0 s ALA 123 CO 0.06 -2.87 -0.03 0.00 0.00 0.00 0.00 175.76 172.92 1lm0 s ALA 124 N 3.27 2.75 -0.21 0.00 0.00 -0.48 -0.84 121.76 126.25 1lm0 s ALA 124 Ca 0.27 -1.69 -0.08 0.00 0.00 0.00 0.00 51.96 50.46 1lm0 s ALA 124 Cb -0.11 -1.83 -0.20 0.00 0.00 0.00 0.00 23.12 20.99 1lm0 s ALA 124 CO -0.01 -1.15 0.03 -2.37 0.00 0.00 0.00 175.76 172.27 1lm0 n THR 125 N 4.61 1.61 -2.68 0.00 5.66 -0.33 -4.60 114.28 118.54 1lm0 n THR 125 Ca -0.14 -0.47 -0.43 0.00 -3.05 0.00 0.00 64.05 59.96 1lm0 n THR 125 Cb 0.44 -1.72 0.00 0.00 -1.55 0.00 0.00 70.33 67.50 1lm0 n THR 125 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1lm0 n GLU 126 N -3.73 3.27 -2.94 1.09 2.13 0.21 -4.89 120.64 115.79 1lm0 n GLU 126 Ca -0.40 -3.50 -0.44 0.00 0.66 0.00 0.00 57.16 53.48 1lm0 n GLU 126 Cb 0.93 -3.27 -0.03 0.00 0.27 0.00 0.00 31.44 29.34 1lm0 n GLU 126 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1lm0 s VAL 127 N 2.88 4.57 0.14 6.31 -7.23 -1.26 -0.73 120.40 125.07 1lm0 s VAL 127 Ca 0.48 -0.93 -0.04 0.00 -1.81 0.00 0.00 61.98 59.68 1lm0 s VAL 127 Cb 0.02 -4.68 -0.05 0.00 0.56 0.00 0.00 36.38 32.23 1lm0 s VAL 127 CO 0.04 -1.41 0.36 -0.76 -0.31 0.00 0.00 175.10 173.02 1lm0 s LEU 128 N 3.28 4.27 -0.56 1.32 2.01 0.52 -4.89 118.68 124.62 1lm0 s LEU 128 Ca 0.24 0.57 0.07 0.00 0.01 0.00 0.00 54.13 55.01 1lm0 s LEU 128 Cb -0.14 -3.29 0.24 0.00 0.01 0.00 0.00 46.19 43.02 1lm0 s LEU 128 CO 0.02 0.06 0.66 0.00 1.01 0.00 0.00 176.35 178.10 1lm0 n ALA 129 N 0.10 3.52 0.26 4.21 0.00 -1.26 -0.56 120.51 126.78 1lm0 n ALA 129 Ca -0.03 -4.31 0.04 0.00 0.00 0.00 0.00 53.44 49.14 1lm0 n ALA 129 Cb 0.52 -0.88 0.17 0.00 0.00 0.00 0.00 19.45 19.26 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 1.11 0.00 0.17 0.00 2.85 -1.26 -2.62 118.16 118.41 1lm0 n LYS 130 Ca 0.27 0.37 -0.12 0.00 -1.05 0.00 0.00 58.31 57.78 1lm0 n LYS 130 Cb 0.45 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.26 1lm0 n LYS 130 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1lm0 h HIS 131 N 0.00 -0.45 -0.02 5.58 3.86 -1.93 -3.53 115.15 118.67 1lm0 h HIS 131 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1lm0 h HIS 131 Cb 0.13 0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1lm0 h HIS 131 CO 0.00 -0.13 0.00 -0.25 0.86 0.00 0.00 177.93 178.41