#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 6.74 0.04 6.43 2.47 -1.26 -4.94 114.94 124.42 1lm0 s ASN 33 Ca 0.00 2.67 -0.26 0.00 0.42 0.00 0.00 52.86 55.69 1lm0 s ASN 33 Cb 0.00 -2.64 -0.17 0.00 -1.45 0.00 0.00 41.25 36.99 1lm0 s ASN 33 CO 0.00 -0.59 1.44 -0.07 -3.72 0.00 0.00 177.10 174.16 1lm0 h LEU 34 N 3.99 -0.28 -8.04 3.21 -0.00 -2.07 -3.39 115.31 108.73 1lm0 h LEU 34 Ca -0.48 -0.14 -0.73 0.00 -0.00 0.00 0.00 57.88 56.53 1lm0 h LEU 34 Cb 1.22 0.07 -0.21 0.00 -0.00 0.00 0.00 40.66 41.74 1lm0 h LEU 34 CO 0.70 -0.02 0.20 0.21 -0.00 0.00 0.00 178.44 179.53 1lm0 s ASN 35 N -5.08 6.41 0.25 -0.43 3.84 -1.26 -4.66 114.94 114.01 1lm0 s ASN 35 Ca -0.15 -1.89 0.01 0.00 0.21 0.00 0.00 52.86 51.05 1lm0 s ASN 35 Cb 0.03 -2.29 -0.04 0.00 -0.55 0.00 0.00 41.25 38.41 1lm0 s ASN 35 CO 0.61 -0.95 0.15 -1.48 -2.79 0.00 0.00 177.10 172.64 1lm0 s LEU 36 N 1.95 1.44 -0.21 3.21 2.34 -1.26 -4.89 118.68 121.26 1lm0 s LEU 36 Ca 0.16 -1.48 -0.27 0.00 0.06 0.00 0.00 54.13 52.60 1lm0 s LEU 36 Cb -0.18 0.30 -0.00 0.00 -0.56 0.00 0.00 46.19 45.75 1lm0 s LEU 36 CO -0.01 -0.86 0.92 -0.36 -1.06 0.00 0.00 176.35 174.98 1lm0 s PHE 37 N -3.86 3.36 0.04 3.48 0.08 -1.26 -0.58 117.98 119.24 1lm0 s PHE 37 Ca 0.38 1.32 0.06 0.00 0.12 0.00 0.00 56.93 58.81 1lm0 s PHE 37 Cb 0.06 -3.13 -0.02 0.00 -0.57 0.00 0.00 43.02 39.35 1lm0 s PHE 37 CO 0.16 -0.38 -0.16 0.71 -0.10 0.00 0.00 175.22 175.44 1lm0 s TYR 38 N 2.76 1.42 0.06 0.36 2.02 0.12 -4.96 117.35 119.14 1lm0 s TYR 38 Ca 0.40 -0.36 -0.31 0.00 -0.37 0.00 0.00 57.07 56.44 1lm0 s TYR 38 Cb -0.16 -0.84 -0.07 0.00 -0.40 0.00 0.00 41.96 40.49 1lm0 s TYR 38 CO 0.09 0.05 1.42 0.99 -1.57 0.00 0.00 175.55 176.54 1lm0 s THR 39 N -0.82 3.44 0.24 -0.71 2.01 -1.26 -0.85 115.64 117.69 1lm0 s THR 39 Ca 0.04 0.95 -0.06 0.00 0.31 0.00 0.00 61.69 62.93 1lm0 s THR 39 Cb -0.08 -3.61 0.21 0.00 0.01 0.00 0.00 72.50 69.03 1lm0 s THR 39 CO 0.01 0.03 1.86 1.55 -0.69 0.00 0.00 174.62 177.39 1lm0 h PRO 40 N 7.39 0.97 -0.89 4.92 0.13 -1.86 -2.06 132.00 140.60 1lm0 h PRO 40 Ca -0.40 -0.06 0.23 0.00 -0.87 0.00 0.00 66.00 64.90 1lm0 h PRO 40 Cb 1.20 -0.22 -0.13 0.00 0.13 0.00 0.00 31.00 31.98 1lm0 h PRO 40 CO 0.89 0.64 0.36 0.77 -0.23 0.00 0.00 178.00 180.43 1lm0 h SER 41 N 1.00 0.25 -0.90 1.44 0.02 -1.85 0.43 113.55 113.94 1lm0 h SER 41 Ca 0.37 0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 61.48 1lm0 h SER 41 Cb 0.13 0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 1lm0 h SER 41 CO -0.16 -0.05 0.55 -0.08 -1.14 0.00 0.00 176.83 175.95 1lm0 h GLU 42 N 0.34 1.22 -0.92 3.45 4.81 -1.74 -2.87 114.58 118.88 1lm0 h GLU 42 Ca 0.57 -0.10 -0.56 0.00 -0.13 0.00 0.00 59.36 59.13 1lm0 h GLU 42 Cb 1.11 -0.26 -0.29 0.00 0.63 0.00 0.00 28.75 29.94 1lm0 h GLU 42 CO -0.56 0.85 0.58 0.44 -0.73 0.00 0.00 179.01 179.58 1lm0 n ILE 43 N -4.40 3.29 -0.03 2.32 -5.35 0.13 -4.39 119.36 110.94 1lm0 n ILE 43 Ca 0.10 -2.62 -0.03 0.00 -0.27 0.00 0.00 62.75 59.93 1lm0 n ILE 43 Cb 0.05 -0.81 -0.04 0.00 -1.74 0.00 0.00 39.64 37.10 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 -1.01 0.35 -4.64 7.28 3.14 0.09 -4.05 118.33 119.48 1lm0 n VAL 44 Ca 0.58 -0.21 -0.33 0.00 -2.96 0.00 0.00 64.34 61.42 1lm0 n VAL 44 Cb 1.11 -0.85 -0.16 0.00 -1.06 0.00 0.00 33.84 32.88 1lm0 n VAL 44 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1lm0 s ASN 45 N -3.75 3.53 0.00 6.55 0.01 -1.26 -4.24 114.94 115.78 1lm0 s ASN 45 Ca -0.03 -0.49 0.00 0.00 -0.71 0.00 0.00 52.86 51.62 1lm0 s ASN 45 Cb 0.02 -1.53 0.00 0.00 0.41 0.00 0.00 41.25 40.15 1lm0 s ASN 45 CO 0.20 0.10 0.00 0.61 -1.51 0.00 0.00 177.10 176.50 1lm0 n GLY 46 N 3.96 1.00 0.00 0.66 0.00 -1.26 -4.59 105.19 104.97 1lm0 n GLY 46 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.00 0.00 1.61 5.02 -1.26 -0.03 118.16 123.50 1lm0 n LYS 47 Ca 0.00 0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 56.19 1lm0 n LYS 47 Cb 0.00 -0.30 -0.10 0.00 -0.02 0.00 0.00 35.03 34.61 1lm0 n LYS 47 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1lm0 h THR 48 N 0.00 1.31 -0.65 -0.18 2.02 -1.81 0.35 112.91 113.94 1lm0 h THR 48 Ca 0.00 -1.25 0.13 0.00 0.77 0.00 0.00 66.41 66.05 1lm0 h THR 48 Cb 0.00 2.12 -0.12 0.00 -1.74 0.00 0.00 68.15 68.41 1lm0 h THR 48 CO 0.00 0.31 -0.17 -0.67 0.37 0.00 0.00 175.52 175.36 1lm0 n ASP 49 N -4.85 -0.25 -0.13 4.18 2.03 -1.22 -0.93 116.55 115.38 1lm0 n ASP 49 Ca -0.09 1.12 0.03 0.00 0.52 0.00 0.00 54.79 56.38 1lm0 n ASP 49 Cb 0.28 -0.33 0.05 0.00 -0.72 0.00 0.00 41.12 40.39 1lm0 n ASP 49 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1lm0 n THR 50 N -5.06 0.90 -3.86 5.18 -1.04 0.96 -4.38 114.28 106.97 1lm0 n THR 50 Ca 0.10 -1.02 -0.30 0.00 -2.04 0.00 0.00 64.05 60.79 1lm0 n THR 50 Cb 0.32 0.35 0.01 0.00 -1.82 0.00 0.00 70.33 69.20 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 -0.61 -0.49 0.11 3.41 0.00 -0.11 -4.91 105.19 102.60 1lm0 n GLY 51 Ca 0.05 0.17 -0.20 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.82 1.20 0.00 1.61 -1.51 -0.69 -3.42 116.25 111.62 1lm0 h VAL 52 Ca -0.56 -2.41 -0.08 0.00 -1.23 0.00 0.00 66.70 62.43 1lm0 h VAL 52 Cb 1.37 2.84 -0.01 0.00 -2.13 0.00 0.00 31.29 33.36 1lm0 h VAL 52 CO 0.67 0.66 -0.90 0.29 -1.23 0.00 0.00 177.57 177.06 1lm0 n LYS 53 N -4.09 0.50 -1.58 5.19 4.76 -1.26 -4.98 118.16 116.71 1lm0 n LYS 53 Ca -0.22 0.46 -0.30 0.00 -2.87 0.00 0.00 58.31 55.38 1lm0 n LYS 53 Cb 0.82 -1.64 0.23 0.00 -1.84 0.00 0.00 35.03 32.60 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 -2.41 -0.47 -0.04 1.97 0.04 -1.26 -5.09 135.00 127.73 1lm0 s PRO 54 Ca -0.22 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 60.42 1lm0 s PRO 54 Cb 0.04 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 32.89 1lm0 s PRO 54 CO 0.35 -3.16 -0.03 -1.83 0.04 0.00 0.00 177.00 172.38 1lm0 s GLU 55 N -5.79 0.66 0.13 4.56 -1.05 -1.26 -4.77 118.70 111.18 1lm0 s GLU 55 Ca 0.75 -0.03 -0.31 0.00 -0.15 0.00 0.00 54.97 55.23 1lm0 s GLU 55 Cb -0.04 -0.77 -0.11 0.00 -0.44 0.00 0.00 34.13 32.78 1lm0 s GLU 55 CO 0.55 -0.13 1.82 0.00 0.95 0.00 0.00 175.26 178.45 1lm0 s ALA 56 N 1.11 3.79 0.00 -0.84 0.00 -1.26 -2.32 121.76 122.24 1lm0 s ALA 56 Ca -0.08 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1lm0 s ALA 56 Cb -0.14 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.22 1lm0 s ALA 56 CO -0.01 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 174.96 1lm0 n GLY 57 N 4.21 1.34 3.81 0.00 0.00 -1.26 -5.03 105.19 108.26 1lm0 n GLY 57 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.24 4.29 0.10 1.61 -0.21 -0.98 -4.81 119.66 119.43 1lm0 s GLN 58 Ca 0.00 0.99 -0.22 0.00 0.02 0.00 0.00 55.36 56.15 1lm0 s GLN 58 Cb 0.00 -2.68 -0.07 0.00 1.00 0.00 0.00 33.01 31.26 1lm0 s GLN 58 CO 0.00 0.26 0.66 1.03 -2.12 0.00 0.00 175.29 175.13 1lm0 s ARG 59 N -2.34 4.37 0.26 2.91 0.52 -1.26 -1.66 118.95 121.75 1lm0 s ARG 59 Ca 0.50 0.92 -0.08 0.00 -0.52 0.00 0.00 55.73 56.55 1lm0 s ARG 59 Cb -0.15 -3.26 -0.01 0.00 0.52 0.00 0.00 34.95 32.05 1lm0 s ARG 59 CO 0.20 0.57 0.41 0.96 0.02 0.00 0.00 175.30 177.47 1lm0 s ILE 60 N -1.00 0.00 -0.30 1.52 -4.36 -0.89 -4.23 121.20 111.93 1lm0 s ILE 60 Ca 0.32 -1.57 -0.02 0.00 -0.26 0.00 0.00 60.65 59.13 1lm0 s ILE 60 Cb -0.21 -2.38 0.05 0.00 1.25 0.00 0.00 42.46 41.17 1lm0 s ILE 60 CO 0.22 0.00 0.01 -0.13 0.24 0.00 0.00 174.94 175.28 1lm0 s ARG 61 N -3.78 2.45 -0.04 0.37 0.52 0.26 -2.81 118.95 115.92 1lm0 s ARG 61 Ca 0.28 -1.25 -0.30 0.00 -0.52 0.00 0.00 55.73 53.93 1lm0 s ARG 61 Cb 0.01 -3.21 -0.02 0.00 0.52 0.00 0.00 34.95 32.25 1lm0 s ARG 61 CO 0.13 -0.62 1.02 0.54 0.02 0.00 0.00 175.30 176.39 1lm0 s VAL 62 N 1.27 4.73 -0.15 3.52 0.11 0.39 -0.70 120.40 129.58 1lm0 s VAL 62 Ca -0.05 1.98 -0.01 0.00 -2.93 0.00 0.00 61.98 60.96 1lm0 s VAL 62 Cb -0.20 -4.27 0.04 0.00 -1.53 0.00 0.00 36.38 30.43 1lm0 s VAL 62 CO -0.01 0.08 -0.01 -0.83 -3.33 0.00 0.00 175.10 171.00 1lm0 s GLY 63 N 1.09 0.75 0.12 6.54 0.00 -0.03 -0.35 107.32 115.43 1lm0 s GLY 63 Ca 0.51 -0.60 -0.05 0.00 0.00 0.00 0.00 44.72 44.58 1lm0 s GLY 63 CO 0.23 1.15 0.27 0.61 0.00 0.00 0.00 173.10 175.36 1lm0 n GLY 64 N 5.00 1.59 3.66 0.20 0.00 -1.08 -4.04 105.19 110.52 1lm0 n GLY 64 Ca -0.10 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.03 4.05 0.39 1.61 0.23 0.17 -2.01 119.30 121.72 1lm0 s MET 65 Ca 0.05 -0.29 -0.05 0.00 -1.03 0.00 0.00 55.69 54.38 1lm0 s MET 65 Cb -0.02 -3.44 -0.05 0.00 -1.53 0.00 0.00 34.83 29.80 1lm0 s MET 65 CO 0.04 0.13 0.68 0.14 -2.03 0.00 0.00 175.02 173.98 1lm0 s VAL 66 N 0.82 4.95 0.27 5.16 -7.23 0.24 -0.57 120.40 124.04 1lm0 s VAL 66 Ca 0.07 0.13 -0.05 0.00 -1.81 0.00 0.00 61.98 60.33 1lm0 s VAL 66 Cb -0.13 -3.80 0.06 0.00 0.56 0.00 0.00 36.38 33.07 1lm0 s VAL 66 CO 0.02 -0.59 0.34 1.07 -0.31 0.00 0.00 175.10 175.63 1lm0 n THR 67 N -1.63 0.00 -3.45 5.32 5.66 -1.26 -3.49 114.28 115.43 1lm0 n THR 67 Ca -0.01 -0.23 -0.30 0.00 -3.05 0.00 0.00 64.05 60.47 1lm0 n THR 67 Cb 0.55 -1.69 -0.07 0.00 -1.55 0.00 0.00 70.33 67.56 1lm0 n THR 67 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1lm0 n VAL 68 N -2.62 2.69 0.00 1.08 3.14 -1.26 0.22 118.33 121.58 1lm0 n VAL 68 Ca 0.04 -5.26 0.00 0.00 -2.96 0.00 0.00 64.34 56.16 1lm0 n VAL 68 Cb 0.15 -2.13 0.00 0.00 -1.06 0.00 0.00 33.84 30.81 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 1.14 0.06 2.36 7.55 0.00 -1.26 -4.99 105.19 110.05 1lm0 n GLY 69 Ca 0.28 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.43 -3.89 1.61 7.64 -1.26 -5.06 113.62 112.23 1lm0 n SER 70 Ca 0.00 -3.07 -0.28 0.00 1.01 0.00 0.00 58.87 56.53 1lm0 n SER 70 Cb 0.00 0.14 -0.16 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.15 1.44 -0.09 1.43 1.75 -1.26 -3.02 119.30 118.40 1lm0 s MET 71 Ca 0.34 -0.48 0.02 0.00 -1.25 0.00 0.00 55.69 54.32 1lm0 s MET 71 Cb 0.27 -1.95 0.01 0.00 2.84 0.00 0.00 34.83 35.99 1lm0 s MET 71 CO -0.11 -0.41 -0.16 0.14 -0.65 0.00 0.00 175.02 173.83 1lm0 s VAL 72 N 1.64 1.51 0.09 10.11 -7.23 -0.45 -5.03 120.40 121.05 1lm0 s VAL 72 Ca 0.01 -0.67 0.06 0.00 -1.81 0.00 0.00 61.98 59.56 1lm0 s VAL 72 Cb -0.15 -1.36 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 1lm0 s VAL 72 CO -0.08 0.44 -0.04 0.00 -0.31 0.00 0.00 175.10 175.11 1lm0 s ARG 73 N 0.76 2.38 0.32 4.82 3.03 -1.26 -0.78 118.95 128.21 1lm0 s ARG 73 Ca -0.12 -0.91 -0.14 0.00 2.03 0.00 0.00 55.73 56.60 1lm0 s ARG 73 Cb -0.16 -2.45 -0.08 0.00 -1.03 0.00 0.00 34.95 31.23 1lm0 s ARG 73 CO 0.02 0.53 0.71 -0.51 -1.13 0.00 0.00 175.30 174.92 1lm0 s ASP 74 N -2.25 6.73 0.00 -2.89 1.11 -0.19 -4.96 116.67 114.22 1lm0 s ASP 74 Ca 0.24 1.21 0.00 0.00 0.18 0.00 0.00 52.55 54.18 1lm0 s ASP 74 Cb -0.11 -2.35 0.00 0.00 1.07 0.00 0.00 42.92 41.53 1lm0 s ASP 74 CO 0.16 -0.21 0.73 -0.81 1.18 0.00 0.00 175.17 176.23 1lm0 n PRO 75 N -0.43 0.77 0.01 8.23 -0.04 -1.26 -2.12 135.00 140.16 1lm0 n PRO 75 Ca 0.03 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.45 1lm0 n PRO 75 Cb 0.53 -1.14 -0.10 0.00 -0.04 0.00 0.00 33.50 32.74 1lm0 n PRO 75 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1lm0 h ASN 76 N 0.43 0.00 -0.12 3.54 2.35 -1.92 -3.48 115.58 116.38 1lm0 h ASN 76 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1lm0 h ASN 76 Cb 0.73 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.08 1lm0 h ASN 76 CO 0.00 0.76 -0.04 -1.20 -1.65 0.00 0.00 177.43 175.30 1lm0 n SER 77 N -2.98 -4.45 -1.53 5.81 7.64 -0.90 -4.85 113.62 112.36 1lm0 n SER 77 Ca -0.12 0.06 0.02 0.00 1.01 0.00 0.00 58.87 59.84 1lm0 n SER 77 Cb 0.93 -2.17 0.07 0.00 -1.01 0.00 0.00 64.21 62.03 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 -0.28 1.68 -3.69 -3.43 -0.00 -1.26 -4.58 117.00 105.45 1lm0 n LEU 78 Ca -0.02 -2.73 -0.10 0.00 -0.00 0.00 0.00 56.01 53.15 1lm0 n LEU 78 Cb 0.27 -0.07 -0.10 0.00 -0.00 0.00 0.00 43.42 43.53 1lm0 n LEU 78 CO 0.04 0.87 0.13 -1.00 -0.00 0.00 0.00 177.39 177.43 1lm0 s HIS 79 N -1.48 -0.68 -0.07 1.47 3.76 -0.75 -4.15 115.29 113.39 1lm0 s HIS 79 Ca 0.35 1.45 -0.16 0.00 -0.15 0.00 0.00 55.06 56.55 1lm0 s HIS 79 Cb 0.38 0.32 0.03 0.00 1.11 0.00 0.00 32.58 34.42 1lm0 s HIS 79 CO -0.12 -0.36 0.37 0.14 -0.85 0.00 0.00 174.74 173.92 1lm0 s VAL 80 N 1.23 0.03 0.08 -0.90 -7.23 -0.30 -1.02 120.40 112.28 1lm0 s VAL 80 Ca -0.08 -0.26 -0.16 0.00 -1.81 0.00 0.00 61.98 59.67 1lm0 s VAL 80 Cb -0.07 -0.62 0.03 0.00 0.56 0.00 0.00 36.38 36.28 1lm0 s VAL 80 CO -0.12 -0.14 0.39 0.00 -0.31 0.00 0.00 175.10 174.92 1lm0 s GLN 81 N -0.75 0.96 0.14 4.82 -2.07 0.04 -0.10 119.66 122.69 1lm0 s GLN 81 Ca -0.08 -0.53 -0.18 0.00 -1.82 0.00 0.00 55.36 52.75 1lm0 s GLN 81 Cb -0.04 0.42 0.04 0.00 -1.09 0.00 0.00 33.01 32.35 1lm0 s GLN 81 CO 0.03 -0.34 0.46 -0.59 -1.32 0.00 0.00 175.29 173.53 1lm0 s PHE 82 N -3.03 -0.29 -0.10 9.60 -0.71 -0.41 -1.34 117.98 121.70 1lm0 s PHE 82 Ca -0.02 -0.00 -0.04 0.00 -1.04 0.00 0.00 56.93 55.84 1lm0 s PHE 82 Cb 0.00 0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 42.12 1lm0 s PHE 82 CO -0.06 -0.75 0.04 0.00 -1.34 0.00 0.00 175.22 173.11 1lm0 s ALA 83 N -3.79 3.45 0.03 1.99 0.00 -1.17 -0.51 121.76 121.76 1lm0 s ALA 83 Ca 0.03 -0.76 0.07 0.00 0.00 0.00 0.00 51.96 51.30 1lm0 s ALA 83 Cb 0.01 -1.63 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 1lm0 s ALA 83 CO -0.12 0.57 -0.20 0.54 0.00 0.00 0.00 175.76 176.56 1lm0 s VAL 84 N -0.84 1.57 0.05 0.00 0.11 -0.30 -4.27 120.40 116.72 1lm0 s VAL 84 Ca 0.13 -1.08 0.00 0.00 -2.93 0.00 0.00 61.98 58.10 1lm0 s VAL 84 Cb -0.12 -1.36 -0.00 0.00 -1.53 0.00 0.00 36.38 33.38 1lm0 s VAL 84 CO 0.03 0.24 0.01 0.00 -3.33 0.00 0.00 175.10 172.04 1lm0 n HIS 85 N 2.04 0.08 -4.04 1.54 1.44 0.27 -0.60 115.22 115.95 1lm0 n HIS 85 Ca -0.17 -0.28 -0.13 0.00 -2.01 0.00 0.00 57.72 55.13 1lm0 n HIS 85 Cb 0.53 -0.02 -0.03 0.00 0.12 0.00 0.00 29.99 30.59 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 -1.29 0.71 0.41 4.39 -1.08 -1.26 -0.65 116.67 117.90 1lm0 s ASP 86 Ca 0.01 -1.40 0.13 0.00 -0.52 0.00 0.00 52.55 50.77 1lm0 s ASP 86 Cb 0.00 0.68 0.97 0.00 -1.46 0.00 0.00 42.92 43.12 1lm0 s ASP 86 CO 0.01 -1.34 1.95 0.28 0.52 0.00 0.00 175.17 176.59 1lm0 h SER 87 N 2.11 0.44 -0.59 -0.34 0.02 -1.99 0.12 113.55 113.32 1lm0 h SER 87 Ca -0.29 0.01 -0.33 0.00 -0.84 0.00 0.00 61.79 60.35 1lm0 h SER 87 Cb 1.24 -0.08 -0.18 0.00 0.14 0.00 0.00 62.40 63.52 1lm0 h SER 87 CO 0.39 0.26 0.42 0.18 -1.14 0.00 0.00 176.83 176.94 1lm0 n LEU 88 N -4.48 5.57 -3.25 5.07 4.77 -1.26 -4.90 117.00 118.52 1lm0 n LEU 88 Ca 0.12 -2.92 -0.23 0.00 -0.03 0.00 0.00 56.01 52.94 1lm0 n LEU 88 Cb 0.39 -0.78 0.04 0.00 -2.33 0.00 0.00 43.42 40.75 1lm0 n LEU 88 CO 0.33 0.93 0.06 0.61 -1.33 0.00 0.00 177.39 177.99 1lm0 n GLY 89 N -0.36 -0.53 2.13 -0.72 0.00 0.43 -4.73 105.19 101.42 1lm0 n GLY 89 Ca 0.36 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.62 3.48 3.55 -0.02 0.00 -1.25 -4.71 105.19 104.63 1lm0 n GLY 90 Ca -0.06 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 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 1.50 2.38 -0.01 1.61 2.12 -1.25 -4.01 118.70 121.03 1lm0 s GLU 91 Ca 0.67 0.51 0.07 0.00 0.36 0.00 0.00 54.97 56.59 1lm0 s GLU 91 Cb 0.26 -4.65 -0.02 0.00 0.26 0.00 0.00 34.13 29.98 1lm0 s GLU 91 CO -0.02 -3.22 -0.24 -1.50 -0.54 0.00 0.00 175.26 169.74 1lm0 s ILE 92 N 10.65 1.87 -0.18 -3.70 -1.16 0.23 -4.97 121.20 123.94 1lm0 s ILE 92 Ca 0.77 -1.04 -0.20 0.00 -0.51 0.00 0.00 60.65 59.67 1lm0 s ILE 92 Cb -0.12 -1.56 -0.03 0.00 0.61 0.00 0.00 42.46 41.36 1lm0 s ILE 92 CO 0.14 0.50 0.58 -0.76 -2.81 0.00 0.00 174.94 172.59 1lm0 s LEU 93 N -0.62 4.17 -0.25 8.50 1.43 -1.26 -1.15 118.68 129.49 1lm0 s LEU 93 Ca 0.09 0.80 -0.07 0.00 -1.03 0.00 0.00 54.13 53.92 1lm0 s LEU 93 Cb -0.09 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 1lm0 s LEU 93 CO -0.01 -0.20 0.07 -0.69 0.23 0.00 0.00 176.35 175.76 1lm0 s VAL 94 N 1.59 4.34 -0.02 -1.59 1.01 0.34 -2.73 120.40 123.33 1lm0 s VAL 94 Ca 0.27 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 62.03 1lm0 s VAL 94 Cb -0.16 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1lm0 s VAL 94 CO 0.11 0.33 0.22 0.42 0.00 0.00 0.00 175.10 176.18 1lm0 s THR 95 N 1.62 5.38 0.01 3.92 -4.23 0.19 -1.29 115.64 121.24 1lm0 s THR 95 Ca 0.06 0.09 0.01 0.00 -1.18 0.00 0.00 61.69 60.67 1lm0 s THR 95 Cb -0.15 -3.53 -0.01 0.00 1.34 0.00 0.00 72.50 70.15 1lm0 s THR 95 CO 0.04 0.41 -0.04 -0.47 -0.54 0.00 0.00 174.62 174.02 1lm0 s TYR 96 N -1.25 0.32 0.00 3.99 6.14 0.85 -0.80 117.35 126.60 1lm0 s TYR 96 Ca 0.25 -0.19 0.00 0.00 0.64 0.00 0.00 57.07 57.77 1lm0 s TYR 96 Cb -0.13 -0.20 0.00 0.00 0.42 0.00 0.00 41.96 42.05 1lm0 s TYR 96 CO 0.14 -0.04 0.00 -0.40 0.64 0.00 0.00 175.55 175.89 1lm0 n ASP 97 N 2.55 0.00 -4.56 4.32 5.68 -1.26 -1.15 116.55 122.12 1lm0 n ASP 97 Ca -0.16 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 53.84 1lm0 n ASP 97 Cb 0.58 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.78 1lm0 n ASP 97 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1lm0 s ASP 98 N -1.00 1.71 0.23 -1.12 -1.08 -1.26 -1.82 116.67 112.34 1lm0 s ASP 98 Ca 0.00 1.65 -0.31 0.00 -0.52 0.00 0.00 52.55 53.36 1lm0 s ASP 98 Cb 0.00 -2.33 -0.12 0.00 -1.46 0.00 0.00 42.92 39.02 1lm0 s ASP 98 CO 0.00 -3.77 1.67 -0.76 0.52 0.00 0.00 175.17 172.83 1lm0 s LEU 99 N -6.95 4.36 0.86 -1.34 1.02 -1.26 -4.64 118.68 110.72 1lm0 s LEU 99 Ca 0.67 2.88 -0.12 0.00 0.02 0.00 0.00 54.13 57.58 1lm0 s LEU 99 Cb -0.23 -3.61 0.11 0.00 0.02 0.00 0.00 46.19 42.48 1lm0 s LEU 99 CO 0.62 -0.94 1.17 -0.76 0.02 0.00 0.00 176.35 176.46 1lm0 s LEU 100 N 0.59 3.00 0.00 1.79 1.43 -1.26 -5.02 118.68 119.20 1lm0 s LEU 100 Ca 0.70 2.27 0.00 0.00 -1.03 0.00 0.00 54.13 56.07 1lm0 s LEU 100 Cb -0.49 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.16 1lm0 s LEU 100 CO 0.37 -2.87 0.15 -0.81 0.23 0.00 0.00 176.35 173.42 1lm0 n PRO 101 N -3.76 0.00 -2.60 1.29 -0.04 -1.26 -4.66 135.00 123.97 1lm0 n PRO 101 Ca 0.13 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.34 1lm0 n PRO 101 Cb 0.51 -0.55 -0.00 0.00 -0.04 0.00 0.00 33.50 33.42 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 -0.24 4.19 -3.75 3.54 8.00 -1.26 -4.92 116.55 122.11 1lm0 n ASP 102 Ca 0.00 -3.58 -0.30 0.00 0.71 0.00 0.00 54.79 51.62 1lm0 n ASP 102 Cb 0.00 -0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 40.55 1lm0 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lm0 n LEU 103 N -0.37 -0.62 -2.88 0.64 -0.00 -1.26 -2.97 117.00 109.53 1lm0 n LEU 103 Ca 0.34 -0.92 -0.18 0.00 -0.00 0.00 0.00 56.01 55.25 1lm0 n LEU 103 Cb 0.63 -1.17 0.01 0.00 -0.00 0.00 0.00 43.42 42.89 1lm0 n LEU 103 CO 0.32 0.12 -0.15 2.22 -0.00 0.00 0.00 177.39 179.90 1lm0 n PHE 104 N -3.20 -1.33 -1.71 1.47 -1.74 -1.26 -3.10 117.46 106.59 1lm0 n PHE 104 Ca 0.03 0.55 -0.42 0.00 -0.56 0.00 0.00 57.45 57.05 1lm0 n PHE 104 Cb 0.36 -1.31 -0.03 0.00 1.52 0.00 0.00 39.48 40.02 1lm0 n PHE 104 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1lm0 s ARG 105 N -2.66 4.13 0.38 3.97 3.00 -1.16 -4.68 118.95 121.93 1lm0 s ARG 105 Ca 0.10 2.61 -0.26 0.00 0.00 0.00 0.00 55.73 58.18 1lm0 s ARG 105 Cb -0.01 -3.58 -0.09 0.00 0.00 0.00 0.00 34.95 31.27 1lm0 s ARG 105 CO 0.51 -0.84 1.13 -1.21 0.00 0.00 0.00 175.30 174.89 1lm0 s GLU 106 N 2.70 4.19 0.00 3.54 2.02 -1.18 -3.41 118.70 126.56 1lm0 s GLU 106 Ca 0.81 1.76 0.00 0.00 0.02 0.00 0.00 54.97 57.56 1lm0 s GLU 106 Cb -0.46 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.03 1lm0 s GLU 106 CO 0.36 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.87 1lm0 n GLY 107 N 0.66 1.02 3.34 -1.39 0.00 0.13 -4.74 105.19 104.21 1lm0 n GLY 107 Ca 0.03 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.76 1.78 -0.15 1.61 -2.07 -1.22 -4.93 119.66 113.91 1lm0 s GLN 108 Ca 0.00 -2.05 -0.17 0.00 -1.82 0.00 0.00 55.36 51.32 1lm0 s GLN 108 Cb 0.00 0.08 -0.04 0.00 -1.09 0.00 0.00 33.01 31.96 1lm0 s GLN 108 CO 0.00 -0.60 0.45 0.20 -1.32 0.00 0.00 175.29 174.02 1lm0 s GLY 109 N -3.43 2.26 0.15 2.60 0.00 -1.26 -0.59 107.32 107.05 1lm0 s GLY 109 Ca 0.36 -0.31 0.05 0.00 0.00 0.00 0.00 44.72 44.81 1lm0 s GLY 109 CO 0.24 0.80 -0.11 -0.26 0.00 0.00 0.00 173.10 173.77 1lm0 s ILE 110 N 0.92 1.21 -0.05 0.90 -5.25 -0.85 -4.21 121.20 113.88 1lm0 s ILE 110 Ca 0.23 -2.06 0.03 0.00 -0.99 0.00 0.00 60.65 57.87 1lm0 s ILE 110 Cb -0.15 -1.85 -0.03 0.00 2.95 0.00 0.00 42.46 43.38 1lm0 s ILE 110 CO 0.09 -0.73 -0.14 0.68 -1.79 0.00 0.00 174.94 173.06 1lm0 s VAL 111 N -3.27 3.12 -0.09 8.37 -7.23 -0.41 -2.62 120.40 118.26 1lm0 s VAL 111 Ca 0.17 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.62 1lm0 s VAL 111 Cb 0.02 -2.23 0.02 0.00 0.56 0.00 0.00 36.38 34.75 1lm0 s VAL 111 CO 0.01 0.58 -0.09 0.00 -0.31 0.00 0.00 175.10 175.29 1lm0 s ALA 112 N -0.75 1.26 -0.11 1.32 0.00 0.52 -0.57 121.76 123.43 1lm0 s ALA 112 Ca 0.12 -0.47 -0.03 0.00 0.00 0.00 0.00 51.96 51.58 1lm0 s ALA 112 Cb -0.11 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 1lm0 s ALA 112 CO 0.01 -0.24 -0.00 -0.65 0.00 0.00 0.00 175.76 174.88 1lm0 s GLN 113 N 1.36 3.23 0.00 0.00 -0.21 0.34 -0.46 119.66 123.92 1lm0 s GLN 113 Ca -0.02 -0.43 0.00 0.00 0.02 0.00 0.00 55.36 54.93 1lm0 s GLN 113 Cb -0.14 -2.85 0.00 0.00 1.00 0.00 0.00 33.01 31.02 1lm0 s GLN 113 CO -0.04 0.55 0.00 0.41 -2.12 0.00 0.00 175.29 174.09 1lm0 n GLY 114 N 2.60 -0.72 3.33 3.09 0.00 -1.12 -1.69 105.19 110.68 1lm0 n GLY 114 Ca -0.18 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 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 -4.00 1.89 0.29 1.61 0.11 0.31 -2.11 120.40 118.52 1lm0 s VAL 115 Ca 0.00 -1.80 -0.29 0.00 -2.93 0.00 0.00 61.98 56.96 1lm0 s VAL 115 Cb 0.00 -1.80 -0.13 0.00 -1.53 0.00 0.00 36.38 32.92 1lm0 s VAL 115 CO 0.00 -0.17 1.30 0.18 -3.33 0.00 0.00 175.10 173.07 1lm0 n LEU 116 N 0.59 3.15 0.00 2.54 7.99 -0.67 -0.68 117.00 129.93 1lm0 n LEU 116 Ca -0.15 1.18 0.00 0.00 -0.01 0.00 0.00 56.01 57.02 1lm0 n LEU 116 Cb 0.55 -1.44 0.00 0.00 -0.11 0.00 0.00 43.42 42.43 1lm0 n LEU 116 CO 0.26 -0.60 0.00 0.61 -1.51 0.00 0.00 177.39 176.15 1lm0 n GLY 117 N 1.36 1.25 3.60 -0.72 0.00 0.43 -4.12 105.19 106.99 1lm0 n GLY 117 Ca 0.08 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 1lm0 n GLY 117 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lm0 s GLU 118 N 1.50 3.42 0.00 1.61 2.12 -1.26 -4.65 118.70 121.44 1lm0 s GLU 118 Ca 0.00 1.06 0.00 0.00 0.36 0.00 0.00 54.97 56.39 1lm0 s GLU 118 Cb 0.00 -4.11 0.00 0.00 0.26 0.00 0.00 34.13 30.28 1lm0 s GLU 118 CO 0.00 -1.76 0.00 -0.25 -0.54 0.00 0.00 175.26 172.71 1lm0 n ASP 119 N 9.60 0.00 0.00 -1.70 9.92 -1.26 -0.76 116.55 132.34 1lm0 n ASP 119 Ca 0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 1lm0 n ASP 119 Cb 0.48 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 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 0.00 2.32 3.95 0.44 0.00 -1.09 -4.40 105.19 106.41 1lm0 n GLY 120 Ca 0.00 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 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 3.14 -0.09 1.61 3.01 0.06 -4.67 119.74 122.80 1lm0 s LYS 121 Ca 0.00 -0.50 0.03 0.00 -1.01 0.00 0.00 55.97 54.49 1lm0 s LYS 121 Cb 0.00 -2.59 0.00 0.00 -1.01 0.00 0.00 37.83 34.23 1lm0 s LYS 121 CO 0.00 -0.18 -0.20 -0.51 0.51 0.00 0.00 175.35 174.98 1lm0 s LEU 122 N -4.49 1.93 -0.43 3.17 1.43 -1.11 -0.43 118.68 118.77 1lm0 s LEU 122 Ca 0.47 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.98 1lm0 s LEU 122 Cb -0.10 -1.20 0.06 0.00 0.03 0.00 0.00 46.19 44.99 1lm0 s LEU 122 CO 0.37 0.12 0.30 0.00 0.23 0.00 0.00 176.35 177.37 1lm0 s ALA 123 N 0.43 3.38 -0.07 4.21 0.00 0.15 -0.64 121.76 129.23 1lm0 s ALA 123 Ca -0.17 -2.03 0.01 0.00 0.00 0.00 0.00 51.96 49.77 1lm0 s ALA 123 Cb -0.17 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.18 1lm0 s ALA 123 CO 0.07 -1.62 -0.07 0.00 0.00 0.00 0.00 175.76 174.15 1lm0 s ALA 124 N 1.53 0.99 -0.03 0.00 0.00 0.02 -0.53 121.76 123.74 1lm0 s ALA 124 Ca 0.03 -0.28 0.06 0.00 0.00 0.00 0.00 51.96 51.78 1lm0 s ALA 124 Cb -0.22 -0.62 -0.10 0.00 0.00 0.00 0.00 23.12 22.18 1lm0 s ALA 124 CO 0.05 -0.13 0.09 -2.37 0.00 0.00 0.00 175.76 173.40 1lm0 n THR 125 N 4.34 0.19 -2.75 0.00 5.66 -0.83 -4.11 114.28 116.79 1lm0 n THR 125 Ca -0.19 -0.21 -0.44 0.00 -3.05 0.00 0.00 64.05 60.17 1lm0 n THR 125 Cb 0.51 -0.17 0.00 0.00 -1.55 0.00 0.00 70.33 69.11 1lm0 n THR 125 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1lm0 n GLU 126 N -1.96 3.33 -3.33 1.09 1.02 -0.68 -4.93 120.64 115.18 1lm0 n GLU 126 Ca -0.05 -3.62 -0.38 0.00 -0.02 0.00 0.00 57.16 53.09 1lm0 n GLU 126 Cb 0.41 -3.17 -0.06 0.00 -0.02 0.00 0.00 31.44 28.61 1lm0 n GLU 126 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1lm0 s VAL 127 N 2.26 5.17 -0.09 2.62 -7.23 -1.26 -0.50 120.40 121.36 1lm0 s VAL 127 Ca 0.46 0.95 0.02 0.00 -1.81 0.00 0.00 61.98 61.60 1lm0 s VAL 127 Cb 0.01 -3.81 0.01 0.00 0.56 0.00 0.00 36.38 33.15 1lm0 s VAL 127 CO 0.02 0.35 -0.15 -0.76 -0.31 0.00 0.00 175.10 174.25 1lm0 s LEU 128 N 0.47 1.70 -0.64 1.32 2.01 0.27 -4.95 118.68 118.87 1lm0 s LEU 128 Ca 0.26 -0.38 -0.17 0.00 0.01 0.00 0.00 54.13 53.85 1lm0 s LEU 128 Cb -0.15 -1.00 0.14 0.00 0.01 0.00 0.00 46.19 45.18 1lm0 s LEU 128 CO 0.11 0.03 0.68 0.00 1.01 0.00 0.00 176.35 178.18 1lm0 s ALA 129 N 0.81 3.62 -0.42 4.21 0.00 -1.26 -1.29 121.76 127.43 1lm0 s ALA 129 Ca -0.11 -2.58 0.07 0.00 0.00 0.00 0.00 51.96 49.34 1lm0 s ALA 129 Cb -0.16 -3.48 0.52 0.00 0.00 0.00 0.00 23.12 20.01 1lm0 s ALA 129 CO 0.02 -2.27 1.46 0.36 0.00 0.00 0.00 175.76 175.32 1lm0 n LYS 130 N 5.54 2.96 -3.83 0.00 2.85 -1.26 -4.66 118.16 119.75 1lm0 n LYS 130 Ca -0.04 -2.10 -0.30 0.00 -1.05 0.00 0.00 58.31 54.82 1lm0 n LYS 130 Cb 0.43 -1.94 -0.16 0.00 -0.65 0.00 0.00 35.03 32.72 1lm0 n LYS 130 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1lm0 s HIS 131 N -2.21 2.01 -1.29 5.58 3.76 -1.26 -5.08 115.29 116.80 1lm0 s HIS 131 Ca 0.38 -1.69 0.00 0.00 -0.15 0.00 0.00 55.06 53.60 1lm0 s HIS 131 Cb 0.30 -1.65 0.00 0.00 1.11 0.00 0.00 32.58 32.34 1lm0 s HIS 131 CO 0.09 -0.79 0.32 -0.25 -0.85 0.00 0.00 174.74 173.26