#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 0.15 -0.18 6.43 2.20 -1.26 -5.08 114.94 117.20 1lm0 s ASN 33 Ca 0.00 -0.38 0.06 0.00 -0.94 0.00 0.00 52.86 51.60 1lm0 s ASN 33 Cb 0.00 0.15 -0.15 0.00 -2.00 0.00 0.00 41.25 39.25 1lm0 s ASN 33 CO 0.00 -0.34 -0.09 -0.11 -2.94 0.00 0.00 177.10 173.62 1lm0 n LEU 34 N 1.49 1.83 -3.68 3.54 0.00 -1.26 -5.02 117.00 113.90 1lm0 n LEU 34 Ca -0.23 -0.07 -0.14 0.00 0.00 0.00 0.00 56.01 55.57 1lm0 n LEU 34 Cb 0.55 -0.28 -0.08 0.00 0.00 0.00 0.00 43.42 43.61 1lm0 n LEU 34 CO 0.21 0.66 0.18 0.20 0.00 0.00 0.00 177.39 178.63 1lm0 s ASN 35 N -5.53 -0.42 0.04 1.96 0.01 -1.26 -4.55 114.94 105.19 1lm0 s ASN 35 Ca -0.19 0.58 -0.27 0.00 -0.71 0.00 0.00 52.86 52.27 1lm0 s ASN 35 Cb 0.06 0.63 0.09 0.00 0.41 0.00 0.00 41.25 42.44 1lm0 s ASN 35 CO 0.53 -0.38 0.76 -1.48 -1.51 0.00 0.00 177.10 175.02 1lm0 s LEU 36 N -0.68 -0.48 0.11 0.60 2.34 -1.26 -5.02 118.68 114.30 1lm0 s LEU 36 Ca -0.08 0.12 -0.26 0.00 0.06 0.00 0.00 54.13 53.98 1lm0 s LEU 36 Cb -0.03 2.29 -0.07 0.00 -0.56 0.00 0.00 46.19 47.82 1lm0 s LEU 36 CO 0.04 -0.73 0.79 -0.36 -1.06 0.00 0.00 176.35 175.04 1lm0 s PHE 37 N -2.94 3.83 -0.00 3.48 0.08 -1.26 -0.51 117.98 120.65 1lm0 s PHE 37 Ca 0.01 1.59 -0.07 0.00 0.12 0.00 0.00 56.93 58.57 1lm0 s PHE 37 Cb -0.01 -2.82 0.00 0.00 -0.57 0.00 0.00 43.02 39.62 1lm0 s PHE 37 CO -0.07 0.39 0.15 -0.47 -0.10 0.00 0.00 175.22 175.11 1lm0 s TYR 38 N -0.59 0.01 0.06 0.36 5.04 0.65 -4.92 117.35 117.97 1lm0 s TYR 38 Ca 0.38 -0.06 -0.30 0.00 -2.44 0.00 0.00 57.07 54.65 1lm0 s TYR 38 Cb -0.22 -0.03 -0.05 0.00 0.35 0.00 0.00 41.96 42.01 1lm0 s TYR 38 CO 0.25 -0.27 0.98 0.99 -1.34 0.00 0.00 175.55 176.16 1lm0 s THR 39 N -1.24 4.63 0.27 4.34 2.01 -1.26 -0.79 115.64 123.60 1lm0 s THR 39 Ca -0.13 2.04 -0.00 0.00 0.31 0.00 0.00 61.69 63.91 1lm0 s THR 39 Cb -0.07 -4.31 0.26 0.00 0.01 0.00 0.00 72.50 68.40 1lm0 s THR 39 CO 0.02 0.24 1.81 1.55 -0.69 0.00 0.00 174.62 177.55 1lm0 h PRO 40 N 6.11 0.84 -0.11 4.92 0.13 -1.87 -1.53 132.00 140.48 1lm0 h PRO 40 Ca -0.42 -0.05 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 1lm0 h PRO 40 Cb 1.21 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 1lm0 h PRO 40 CO 0.73 0.55 0.18 0.77 -0.23 0.00 0.00 178.00 180.00 1lm0 h SER 41 N 0.86 0.00 0.43 1.44 0.02 -1.89 -1.34 113.55 113.07 1lm0 h SER 41 Ca 0.47 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.40 1lm0 h SER 41 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1lm0 h SER 41 CO -0.29 0.00 -0.20 -0.33 -1.14 0.00 0.00 176.83 174.87 1lm0 h GLU 42 N 0.00 -0.55 -0.23 3.45 3.07 -1.66 -3.35 114.58 115.30 1lm0 h GLU 42 Ca 0.05 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1lm0 h GLU 42 Cb 0.41 0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1lm0 h GLU 42 CO -0.00 -0.27 0.00 0.44 -1.40 0.00 0.00 179.01 177.78 1lm0 n ILE 43 N -5.17 0.00 -0.01 3.13 -5.35 -0.51 -1.22 119.36 110.23 1lm0 n ILE 43 Ca -0.09 0.00 0.05 0.00 -0.27 0.00 0.00 62.75 62.44 1lm0 n ILE 43 Cb 0.28 -0.25 -0.09 0.00 -1.74 0.00 0.00 39.64 37.84 1lm0 n ILE 43 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1lm0 n VAL 44 N -0.12 0.08 -3.95 7.28 0.24 -1.22 -1.17 118.33 119.48 1lm0 n VAL 44 Ca 0.00 -0.29 -0.31 0.00 -2.04 0.00 0.00 64.34 61.71 1lm0 n VAL 44 Cb 0.06 0.14 -0.15 0.00 -1.47 0.00 0.00 33.84 32.42 1lm0 n VAL 44 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1lm0 s ASN 45 N -3.44 4.57 -1.33 -1.34 0.01 -0.35 -4.76 114.94 108.29 1lm0 s ASN 45 Ca -0.04 -2.07 -0.06 0.00 -0.71 0.00 0.00 52.86 49.98 1lm0 s ASN 45 Cb 0.07 -1.44 0.02 0.00 0.41 0.00 0.00 41.25 40.31 1lm0 s ASN 45 CO 0.48 -0.38 1.05 0.61 -1.51 0.00 0.00 177.10 177.35 1lm0 n GLY 46 N 4.35 -0.46 0.00 0.66 0.00 -1.26 -4.94 105.19 103.54 1lm0 n GLY 46 Ca 0.03 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.63 0.00 -0.28 1.61 4.76 -1.26 -4.65 118.16 113.71 1lm0 n LYS 47 Ca -0.11 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.41 1lm0 n LYS 47 Cb 0.60 0.00 0.21 0.00 -1.84 0.00 0.00 35.03 34.00 1lm0 n LYS 47 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1lm0 h THR 48 N 0.00 0.28 -1.00 -0.18 2.02 -1.78 0.40 112.91 112.65 1lm0 h THR 48 Ca 0.00 -0.04 0.11 0.00 0.77 0.00 0.00 66.41 67.26 1lm0 h THR 48 Cb 0.00 0.16 -0.14 0.00 -1.74 0.00 0.00 68.15 66.43 1lm0 h THR 48 CO 0.00 0.02 -0.52 -0.67 0.37 0.00 0.00 175.52 174.72 1lm0 n ASP 49 N -5.34 -0.91 0.09 4.18 -0.08 -0.31 -1.98 116.55 112.19 1lm0 n ASP 49 Ca 0.17 1.77 0.02 0.00 -1.51 0.00 0.00 54.79 55.24 1lm0 n ASP 49 Cb 0.56 -0.29 -0.03 0.00 2.34 0.00 0.00 41.12 43.70 1lm0 n ASP 49 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1lm0 h THR 50 N 0.00 0.62 -2.44 5.18 2.02 -1.20 -3.39 112.91 113.70 1lm0 h THR 50 Ca 0.23 -2.01 -0.23 0.00 0.77 0.00 0.00 66.41 65.17 1lm0 h THR 50 Cb 0.48 2.17 0.02 0.00 -1.74 0.00 0.00 68.15 69.09 1lm0 h THR 50 CO -0.96 0.36 -0.33 0.61 0.37 0.00 0.00 175.52 175.57 1lm0 n GLY 51 N 1.30 -0.01 0.09 2.16 0.00 0.12 -4.94 105.19 103.91 1lm0 n GLY 51 Ca -0.03 -0.31 -0.03 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 -0.59 1.24 0.00 1.61 -1.51 -1.85 -3.43 116.25 111.72 1lm0 h VAL 52 Ca -0.29 -2.82 0.00 0.00 -1.23 0.00 0.00 66.70 62.37 1lm0 h VAL 52 Cb 1.20 2.60 0.00 0.00 -2.13 0.00 0.00 31.29 32.96 1lm0 h VAL 52 CO 0.32 0.71 0.00 0.29 -1.23 0.00 0.00 177.57 177.66 1lm0 n LYS 53 N -3.25 0.00 -2.48 5.19 4.76 -1.26 -4.99 118.16 116.13 1lm0 n LYS 53 Ca -0.01 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.00 1lm0 n LYS 53 Cb 0.86 -0.01 -0.02 0.00 -1.84 0.00 0.00 35.03 34.02 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 -0.83 3.88 0.84 1.97 0.04 -1.26 -5.02 135.00 134.61 1lm0 s PRO 54 Ca 0.00 1.08 -0.12 0.00 0.04 0.00 0.00 61.00 62.00 1lm0 s PRO 54 Cb 0.00 -3.87 0.10 0.00 0.04 0.00 0.00 34.50 30.76 1lm0 s PRO 54 CO 0.00 -1.17 1.11 -1.21 0.04 0.00 0.00 177.00 175.77 1lm0 s GLU 55 N 4.20 1.72 1.00 4.56 2.02 -1.26 -4.44 118.70 126.50 1lm0 s GLU 55 Ca 0.54 0.55 -0.12 0.00 0.02 0.00 0.00 54.97 55.95 1lm0 s GLU 55 Cb -0.14 -1.88 0.19 0.00 0.10 0.00 0.00 34.13 32.39 1lm0 s GLU 55 CO 0.24 -1.85 1.09 0.00 0.02 0.00 0.00 175.26 174.76 1lm0 s ALA 56 N -3.17 0.93 0.00 5.21 0.00 -1.26 -4.06 121.76 119.41 1lm0 s ALA 56 Ca 0.62 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1lm0 s ALA 56 Cb -0.15 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1lm0 s ALA 56 CO 0.54 -2.85 0.00 0.41 0.00 0.00 0.00 175.76 173.86 1lm0 n GLY 57 N -1.02 0.75 3.84 0.00 0.00 0.61 -4.96 105.19 104.41 1lm0 n GLY 57 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.23 3.13 -0.12 1.61 -0.21 -1.26 -4.80 119.66 117.79 1lm0 s GLN 58 Ca 0.00 -0.61 -0.19 0.00 0.02 0.00 0.00 55.36 54.58 1lm0 s GLN 58 Cb 0.00 -2.85 -0.04 0.00 1.00 0.00 0.00 33.01 31.12 1lm0 s GLN 58 CO 0.00 0.57 0.51 1.03 -2.12 0.00 0.00 175.29 175.28 1lm0 s ARG 59 N -2.58 4.34 0.16 2.91 0.52 -1.26 -0.88 118.95 122.16 1lm0 s ARG 59 Ca 0.32 0.51 -0.04 0.00 -0.52 0.00 0.00 55.73 56.00 1lm0 s ARG 59 Cb -0.12 -3.45 -0.03 0.00 0.52 0.00 0.00 34.95 31.87 1lm0 s ARG 59 CO 0.25 0.12 0.17 0.96 0.02 0.00 0.00 175.30 176.82 1lm0 s ILE 60 N 0.73 0.06 -0.21 1.52 -4.36 -1.25 -4.51 121.20 113.19 1lm0 s ILE 60 Ca 0.28 -1.73 0.02 0.00 -0.26 0.00 0.00 60.65 58.95 1lm0 s ILE 60 Cb -0.15 -2.08 0.03 0.00 1.25 0.00 0.00 42.46 41.51 1lm0 s ILE 60 CO 0.11 -0.29 -0.16 -0.13 0.24 0.00 0.00 174.94 174.72 1lm0 s ARG 61 N -4.04 2.71 -0.20 0.37 0.52 0.34 -3.35 118.95 115.30 1lm0 s ARG 61 Ca 0.25 -1.03 -0.25 0.00 -0.52 0.00 0.00 55.73 54.18 1lm0 s ARG 61 Cb 0.05 -2.72 -0.01 0.00 0.52 0.00 0.00 34.95 32.79 1lm0 s ARG 61 CO 0.04 -0.35 0.81 0.54 0.02 0.00 0.00 175.30 176.36 1lm0 s VAL 62 N 1.22 4.88 -0.15 3.52 0.11 0.48 -0.25 120.40 130.22 1lm0 s VAL 62 Ca -0.00 1.57 0.00 0.00 -2.93 0.00 0.00 61.98 60.62 1lm0 s VAL 62 Cb -0.16 -4.11 0.02 0.00 -1.53 0.00 0.00 36.38 30.60 1lm0 s VAL 62 CO -0.09 0.00 -0.13 -0.83 -3.33 0.00 0.00 175.10 170.71 1lm0 s GLY 63 N 1.22 1.10 0.00 6.54 0.00 0.03 -0.51 107.32 115.70 1lm0 s GLY 63 Ca 0.36 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 44.20 1lm0 s GLY 63 CO 0.11 0.57 0.00 0.61 0.00 0.00 0.00 173.10 174.38 1lm0 n GLY 64 N 4.78 1.22 3.58 0.20 0.00 -1.17 -4.17 105.19 109.63 1lm0 n GLY 64 Ca -0.16 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 1lm0 n GLY 64 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1lm0 s MET 65 N 1.35 3.72 0.41 1.61 0.23 -1.02 -2.52 119.30 123.08 1lm0 s MET 65 Ca 0.00 -0.43 -0.14 0.00 -1.03 0.00 0.00 55.69 54.08 1lm0 s MET 65 Cb 0.00 -3.02 -0.08 0.00 -1.53 0.00 0.00 34.83 30.20 1lm0 s MET 65 CO 0.00 0.31 0.82 0.14 -2.03 0.00 0.00 175.02 174.27 1lm0 s VAL 66 N 0.21 4.66 1.37 5.16 -7.23 -1.26 -0.64 120.40 122.68 1lm0 s VAL 66 Ca 0.01 0.93 -0.23 0.00 -1.81 0.00 0.00 61.98 60.88 1lm0 s VAL 66 Cb -0.13 -3.68 0.35 0.00 0.56 0.00 0.00 36.38 33.48 1lm0 s VAL 66 CO 0.02 -0.44 1.00 -0.89 -0.31 0.00 0.00 175.10 174.48 1lm0 s THR 67 N -2.29 1.26 -0.74 5.32 2.01 -1.25 -3.80 115.64 116.15 1lm0 s THR 67 Ca 0.55 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.59 1lm0 s THR 67 Cb -0.10 -2.25 0.24 0.00 0.01 0.00 0.00 72.50 70.40 1lm0 s THR 67 CO 0.25 0.00 0.79 0.55 -0.69 0.00 0.00 174.62 175.53 1lm0 n VAL 68 N -5.39 2.67 0.00 3.82 3.14 -1.26 -1.25 118.33 120.06 1lm0 n VAL 68 Ca 0.15 -5.23 0.00 0.00 -2.96 0.00 0.00 64.34 56.29 1lm0 n VAL 68 Cb 0.60 -2.15 0.00 0.00 -1.06 0.00 0.00 33.84 31.24 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 1.29 0.64 0.60 7.55 0.00 -1.26 -5.00 105.19 109.01 1lm0 n GLY 69 Ca 0.27 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.27 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 2.78 -4.60 1.61 7.64 -1.26 -4.95 113.62 114.84 1lm0 n SER 70 Ca 0.00 -1.93 -0.43 0.00 1.01 0.00 0.00 58.87 57.52 1lm0 n SER 70 Cb 0.00 -0.20 -0.02 0.00 -1.01 0.00 0.00 64.21 62.98 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 -0.99 3.50 -0.10 1.43 1.75 -1.26 -4.02 119.30 119.61 1lm0 s MET 71 Ca 0.21 1.07 0.04 0.00 -1.25 0.00 0.00 55.69 55.76 1lm0 s MET 71 Cb 0.11 -4.08 0.00 0.00 2.84 0.00 0.00 34.83 33.71 1lm0 s MET 71 CO 0.15 -1.66 -0.22 0.14 -0.65 0.00 0.00 175.02 172.78 1lm0 s VAL 72 N 5.87 1.94 0.08 10.11 -7.23 -0.55 -5.02 120.40 125.60 1lm0 s VAL 72 Ca 0.66 -0.94 0.05 0.00 -1.81 0.00 0.00 61.98 59.95 1lm0 s VAL 72 Cb -0.16 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 1lm0 s VAL 72 CO 0.33 0.53 -0.06 0.00 -0.31 0.00 0.00 175.10 175.59 1lm0 s ARG 73 N 0.47 2.36 0.45 4.82 1.70 -1.26 -0.99 118.95 126.50 1lm0 s ARG 73 Ca -0.16 -0.89 -0.15 0.00 -0.47 0.00 0.00 55.73 54.05 1lm0 s ARG 73 Cb -0.17 -2.43 -0.08 0.00 -0.57 0.00 0.00 34.95 31.70 1lm0 s ARG 73 CO 0.06 0.54 0.89 -0.51 -1.08 0.00 0.00 175.30 175.21 1lm0 s ASP 74 N -2.06 6.67 0.00 -2.89 1.01 -0.13 -4.96 116.67 114.31 1lm0 s ASP 74 Ca 0.22 1.44 0.03 0.00 0.71 0.00 0.00 52.55 54.94 1lm0 s ASP 74 Cb -0.11 -2.45 0.15 0.00 1.01 0.00 0.00 42.92 41.52 1lm0 s ASP 74 CO 0.14 -0.45 0.71 -0.81 0.21 0.00 0.00 175.17 174.96 1lm0 n PRO 75 N -1.19 0.58 0.21 8.23 -0.04 -1.26 -0.82 135.00 140.71 1lm0 n PRO 75 Ca 0.05 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.58 1lm0 n PRO 75 Cb 0.54 -1.07 0.44 0.00 -0.04 0.00 0.00 33.50 33.37 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 0.00 0.00 0.00 3.54 2.35 -1.93 -3.47 115.58 116.07 1lm0 h ASN 76 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1lm0 h ASN 76 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1lm0 h ASN 76 CO 0.00 0.30 0.00 -1.20 -1.65 0.00 0.00 177.43 174.88 1lm0 n SER 77 N -3.68 -0.56 0.00 5.81 7.64 0.00 -4.78 113.62 118.06 1lm0 n SER 77 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1lm0 n SER 77 Cb 0.42 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 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 0.00 0.55 -4.24 -3.43 -0.00 -1.26 -4.70 117.00 103.92 1lm0 n LEU 78 Ca 0.00 -0.72 -0.33 0.00 -0.00 0.00 0.00 56.01 54.96 1lm0 n LEU 78 Cb 0.03 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.29 1lm0 n LEU 78 CO 0.00 0.14 -0.50 -1.00 -0.00 0.00 0.00 177.39 176.03 1lm0 s HIS 79 N -0.33 2.73 0.01 1.47 3.76 -1.26 -1.18 115.29 120.50 1lm0 s HIS 79 Ca 0.00 -1.11 -0.07 0.00 -0.15 0.00 0.00 55.06 53.73 1lm0 s HIS 79 Cb 0.00 -1.85 -0.00 0.00 1.11 0.00 0.00 32.58 31.84 1lm0 s HIS 79 CO 0.00 -0.50 0.13 0.14 -0.85 0.00 0.00 174.74 173.66 1lm0 s VAL 80 N 0.76 0.09 0.04 -0.90 -7.23 0.03 -0.95 120.40 112.24 1lm0 s VAL 80 Ca -0.07 -0.74 -0.16 0.00 -1.81 0.00 0.00 61.98 59.20 1lm0 s VAL 80 Cb -0.16 -0.47 0.03 0.00 0.56 0.00 0.00 36.38 36.35 1lm0 s VAL 80 CO 0.00 -0.41 0.36 0.00 -0.31 0.00 0.00 175.10 174.75 1lm0 s GLN 81 N -1.51 0.87 0.02 4.82 -2.07 -0.16 -0.49 119.66 121.14 1lm0 s GLN 81 Ca -0.14 -0.43 -0.24 0.00 -1.82 0.00 0.00 55.36 52.73 1lm0 s GLN 81 Cb -0.07 0.38 0.05 0.00 -1.09 0.00 0.00 33.01 32.28 1lm0 s GLN 81 CO 0.01 -0.29 0.54 -0.59 -1.32 0.00 0.00 175.29 173.65 1lm0 s PHE 82 N -2.52 -0.47 0.35 9.60 -0.12 -0.50 -1.48 117.98 122.84 1lm0 s PHE 82 Ca -0.05 0.63 -0.08 0.00 -0.05 0.00 0.00 56.93 57.38 1lm0 s PHE 82 Cb -0.01 0.34 -0.06 0.00 -0.63 0.00 0.00 43.02 42.67 1lm0 s PHE 82 CO -0.03 -0.61 0.66 0.00 -0.05 0.00 0.00 175.22 175.19 1lm0 s ALA 83 N -2.01 3.49 0.18 1.99 0.00 -1.26 -0.99 121.76 123.16 1lm0 s ALA 83 Ca -0.08 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.53 1lm0 s ALA 83 Cb -0.01 -2.50 -0.05 0.00 0.00 0.00 0.00 23.12 20.56 1lm0 s ALA 83 CO 0.02 0.12 -0.04 0.14 0.00 0.00 0.00 175.76 176.00 1lm0 s VAL 84 N -2.23 0.96 0.00 0.00 -7.23 0.09 -3.77 120.40 108.22 1lm0 s VAL 84 Ca 0.48 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1lm0 s VAL 84 Cb -0.10 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.74 1lm0 s VAL 84 CO 0.31 -0.53 0.00 0.00 -0.31 0.00 0.00 175.10 174.57 1lm0 n HIS 85 N -0.28 0.00 -4.33 2.82 1.44 0.19 -1.02 115.22 114.04 1lm0 n HIS 85 Ca -0.07 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.44 1lm0 n HIS 85 Cb 0.62 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.65 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 -0.65 1.65 0.24 4.39 -1.08 -1.26 -2.44 116.67 117.52 1lm0 s ASP 86 Ca 0.00 -1.64 -0.07 0.00 -0.52 0.00 0.00 52.55 50.32 1lm0 s ASP 86 Cb 0.00 0.48 0.26 0.00 -1.46 0.00 0.00 42.92 42.20 1lm0 s ASP 86 CO 0.00 -0.96 1.89 0.28 0.52 0.00 0.00 175.17 176.90 1lm0 h SER 87 N 2.16 0.97 -0.01 -0.34 0.02 -1.99 -1.73 113.55 112.63 1lm0 h SER 87 Ca -0.30 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1lm0 h SER 87 Cb 1.25 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.56 1lm0 h SER 87 CO 0.46 0.67 0.00 0.18 -1.14 0.00 0.00 176.83 177.01 1lm0 n LEU 88 N -4.51 1.50 -3.83 5.07 7.99 -1.26 -4.87 117.00 117.08 1lm0 n LEU 88 Ca 0.11 -0.75 -0.27 0.00 -0.01 0.00 0.00 56.01 55.09 1lm0 n LEU 88 Cb 0.07 -0.50 0.03 0.00 -0.11 0.00 0.00 43.42 42.92 1lm0 n LEU 88 CO 0.35 0.31 0.08 0.61 -1.51 0.00 0.00 177.39 177.22 1lm0 n GLY 89 N 0.12 -0.45 2.26 -0.72 0.00 -0.65 -4.83 105.19 100.92 1lm0 n GLY 89 Ca 0.00 0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.69 3.64 3.59 -0.02 0.00 -1.26 -4.68 105.19 104.78 1lm0 n GLY 90 Ca -0.05 -1.29 -0.44 0.00 0.00 0.00 0.00 46.02 44.24 1lm0 n GLY 90 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1lm0 n GLU 91 N 3.33 1.96 -3.97 1.61 1.02 -1.26 -4.11 120.64 119.23 1lm0 n GLU 91 Ca 0.62 0.58 -0.08 0.00 -0.02 0.00 0.00 57.16 58.26 1lm0 n GLU 91 Cb 0.41 -3.05 -0.08 0.00 -0.02 0.00 0.00 31.44 28.69 1lm0 n GLU 91 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1lm0 s ILE 92 N 7.39 0.17 -0.09 -3.67 1.10 -0.19 -4.95 121.20 120.97 1lm0 s ILE 92 Ca 1.00 -1.48 0.03 0.00 -0.51 0.00 0.00 60.65 59.69 1lm0 s ILE 92 Cb -0.45 -1.45 0.01 0.00 0.15 0.00 0.00 42.46 40.72 1lm0 s ILE 92 CO 0.39 -0.79 -0.19 -0.76 -2.11 0.00 0.00 174.94 171.49 1lm0 s LEU 93 N -2.89 1.89 0.06 8.50 1.43 -1.26 -0.73 118.68 125.67 1lm0 s LEU 93 Ca 0.07 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 52.78 1lm0 s LEU 93 Cb 0.06 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 1lm0 s LEU 93 CO -0.10 0.09 -0.16 0.68 0.23 0.00 0.00 176.35 177.10 1lm0 s VAL 94 N 0.56 2.98 0.19 -1.59 -7.23 -0.16 -3.30 120.40 111.85 1lm0 s VAL 94 Ca -0.15 -1.22 0.07 0.00 -1.81 0.00 0.00 61.98 58.87 1lm0 s VAL 94 Cb -0.17 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 1lm0 s VAL 94 CO 0.05 0.26 0.03 0.42 -0.31 0.00 0.00 175.10 175.55 1lm0 s THR 95 N -1.02 3.82 -0.21 5.32 -4.23 0.33 -1.41 115.64 118.23 1lm0 s THR 95 Ca 0.17 -1.45 -0.04 0.00 -1.18 0.00 0.00 61.69 59.19 1lm0 s THR 95 Cb -0.11 -2.95 0.11 0.00 1.34 0.00 0.00 72.50 70.89 1lm0 s THR 95 CO 0.08 -0.16 0.35 -0.47 -0.54 0.00 0.00 174.62 173.88 1lm0 s TYR 96 N -1.84 -0.69 -0.73 3.99 6.14 0.36 -0.53 117.35 124.03 1lm0 s TYR 96 Ca 0.29 0.92 -0.01 0.00 0.64 0.00 0.00 57.07 58.90 1lm0 s TYR 96 Cb -0.09 0.02 0.40 0.00 0.42 0.00 0.00 41.96 42.71 1lm0 s TYR 96 CO 0.20 -0.61 1.97 -0.40 0.64 0.00 0.00 175.55 177.35 1lm0 n ASP 97 N 5.36 7.42 -2.34 4.32 5.75 -1.26 -0.79 116.55 135.01 1lm0 n ASP 97 Ca -0.05 -3.81 -0.05 0.00 -0.01 0.00 0.00 54.79 50.87 1lm0 n ASP 97 Cb 0.50 -0.98 0.02 0.00 -1.03 0.00 0.00 41.12 39.63 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 -0.71 -1.44 -4.79 -1.12 -0.08 -0.32 -4.83 116.55 103.24 1lm0 n ASP 98 Ca 0.57 -1.93 -0.36 0.00 -1.51 0.00 0.00 54.79 51.57 1lm0 n ASP 98 Cb 0.46 2.39 -0.06 0.00 2.34 0.00 0.00 41.12 46.25 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 4.20 0.49 -2.67 1.02 -1.26 -4.46 118.68 116.00 1lm0 s LEU 99 Ca 0.13 1.80 -0.14 0.00 0.02 0.00 0.00 54.13 55.94 1lm0 s LEU 99 Cb -0.03 -4.19 -0.07 0.00 0.02 0.00 0.00 46.19 41.92 1lm0 s LEU 99 CO 0.07 -0.19 0.92 -0.76 0.02 0.00 0.00 176.35 176.41 1lm0 s LEU 100 N -2.45 3.64 0.00 1.79 1.43 -1.26 -5.07 118.68 116.76 1lm0 s LEU 100 Ca 0.54 1.40 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 1lm0 s LEU 100 Cb -0.16 -4.34 0.00 0.00 0.03 0.00 0.00 46.19 41.72 1lm0 s LEU 100 CO 0.21 -0.56 0.00 -0.81 0.23 0.00 0.00 176.35 175.41 1lm0 n PRO 101 N -1.66 0.00 -0.66 1.29 -0.04 -1.26 -4.22 135.00 128.45 1lm0 n PRO 101 Ca 0.05 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.45 1lm0 n PRO 101 Cb 0.54 -0.25 -0.08 0.00 -0.04 0.00 0.00 33.50 33.67 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 4.44 0.00 3.54 9.92 -1.26 -4.64 116.55 128.55 1lm0 n ASP 102 Ca 0.00 -2.26 0.00 0.00 -0.53 0.00 0.00 54.79 52.00 1lm0 n ASP 102 Cb 0.00 -1.09 0.00 0.00 -0.64 0.00 0.00 41.12 39.39 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 2.15 0.21 -2.92 0.64 -0.00 -1.26 -1.77 117.00 114.05 1lm0 n LEU 103 Ca 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.21 1lm0 n LEU 103 Cb 0.62 -0.81 -0.01 0.00 -0.00 0.00 0.00 43.42 43.22 1lm0 n LEU 103 CO 0.08 -0.19 -0.48 0.33 -0.00 0.00 0.00 177.39 177.13 1lm0 n PHE 104 N -0.28 -2.22 -2.72 1.47 7.35 -1.26 -4.92 117.46 114.87 1lm0 n PHE 104 Ca 0.00 1.05 -0.36 0.00 -0.76 0.00 0.00 57.45 57.38 1lm0 n PHE 104 Cb 0.09 -2.62 -0.06 0.00 0.35 0.00 0.00 39.48 37.23 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 -1.16 4.38 0.50 -4.13 1.81 -0.73 -4.94 118.95 114.68 1lm0 s ARG 105 Ca -0.03 1.33 0.01 0.00 -1.72 0.00 0.00 55.73 55.32 1lm0 s ARG 105 Cb 0.00 -2.58 0.02 0.00 -0.45 0.00 0.00 34.95 31.94 1lm0 s ARG 105 CO 0.43 0.08 0.73 -1.21 -0.68 0.00 0.00 175.30 174.65 1lm0 s GLU 106 N -2.45 2.80 -1.58 3.54 8.01 -1.26 -4.42 118.70 123.34 1lm0 s GLU 106 Ca 0.55 -0.62 -0.11 0.00 0.01 0.00 0.00 54.97 54.80 1lm0 s GLU 106 Cb -0.17 -2.52 0.09 0.00 -4.31 0.00 0.00 34.13 27.22 1lm0 s GLU 106 CO 0.22 -0.50 0.64 0.41 0.01 0.00 0.00 175.26 176.04 1lm0 n GLY 107 N -2.22 -0.35 3.32 -1.39 0.00 -0.38 -4.97 105.19 99.20 1lm0 n GLY 107 Ca 0.05 0.15 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 -6.78 0.36 0.27 1.61 -2.07 -1.26 -5.00 119.66 106.78 1lm0 s GLN 108 Ca 0.43 1.09 -0.30 0.00 -1.82 0.00 0.00 55.36 54.77 1lm0 s GLN 108 Cb -0.23 0.41 -0.11 0.00 -1.09 0.00 0.00 33.01 31.99 1lm0 s GLN 108 CO 0.91 -0.24 1.49 0.20 -1.32 0.00 0.00 175.29 176.33 1lm0 s GLY 109 N 2.65 2.27 0.19 2.60 0.00 -1.26 -4.12 107.32 109.65 1lm0 s GLY 109 Ca -0.02 1.42 0.01 0.00 0.00 0.00 0.00 44.72 46.12 1lm0 s GLY 109 CO -0.14 2.37 0.04 -0.26 0.00 0.00 0.00 173.10 175.11 1lm0 s ILE 110 N -0.05 0.51 -0.11 0.90 -5.25 -1.05 -3.74 121.20 112.42 1lm0 s ILE 110 Ca 0.60 -1.97 0.03 0.00 -0.99 0.00 0.00 60.65 58.32 1lm0 s ILE 110 Cb -0.44 -2.24 -0.00 0.00 2.95 0.00 0.00 42.46 42.73 1lm0 s ILE 110 CO 0.45 -0.34 -0.21 0.68 -1.79 0.00 0.00 174.94 173.73 1lm0 s VAL 111 N -3.78 2.26 -0.19 8.37 -7.23 -0.72 -3.03 120.40 116.09 1lm0 s VAL 111 Ca 0.28 -0.94 0.01 0.00 -1.81 0.00 0.00 61.98 59.52 1lm0 s VAL 111 Cb 0.07 -1.89 0.03 0.00 0.56 0.00 0.00 36.38 35.14 1lm0 s VAL 111 CO 0.06 0.55 -0.18 0.00 -0.31 0.00 0.00 175.10 175.22 1lm0 s ALA 112 N 0.44 2.33 0.12 1.32 0.00 0.33 -0.56 121.76 125.74 1lm0 s ALA 112 Ca -0.15 -1.29 0.08 0.00 0.00 0.00 0.00 51.96 50.61 1lm0 s ALA 112 Cb -0.17 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 1lm0 s ALA 112 CO 0.06 -0.50 -0.14 -1.14 0.00 0.00 0.00 175.76 174.03 1lm0 s GLN 113 N 1.28 1.93 0.00 0.00 -0.44 0.44 -0.38 119.66 122.47 1lm0 s GLN 113 Ca 0.03 -1.13 0.00 0.00 -2.50 0.00 0.00 55.36 51.76 1lm0 s GLN 113 Cb -0.14 -2.19 0.00 0.00 -1.64 0.00 0.00 33.01 29.04 1lm0 s GLN 113 CO -0.11 0.49 0.00 0.41 0.50 0.00 0.00 175.29 176.57 1lm0 n GLY 114 N 0.70 -0.30 3.06 2.59 0.00 -1.21 -0.68 105.19 109.34 1lm0 n GLY 114 Ca -0.14 0.39 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 0.08 0.38 1.61 0.11 -0.06 -3.75 120.40 118.77 1lm0 s VAL 115 Ca 0.00 -0.62 -0.26 0.00 -2.93 0.00 0.00 61.98 58.17 1lm0 s VAL 115 Cb 0.00 -0.35 -0.09 0.00 -1.53 0.00 0.00 36.38 34.41 1lm0 s VAL 115 CO 0.00 -0.34 1.20 -0.76 -3.33 0.00 0.00 175.10 171.86 1lm0 s LEU 116 N -1.15 4.26 0.00 2.54 2.01 -0.06 -0.34 118.68 125.93 1lm0 s LEU 116 Ca -0.12 2.42 0.00 0.00 0.01 0.00 0.00 54.13 56.43 1lm0 s LEU 116 Cb -0.07 -3.93 0.00 0.00 0.01 0.00 0.00 46.19 42.20 1lm0 s LEU 116 CO 0.01 -0.63 0.56 0.61 1.01 0.00 0.00 176.35 177.91 1lm0 n GLY 117 N 0.71 0.39 2.71 -3.19 0.00 -1.22 -0.28 105.19 104.31 1lm0 n GLY 117 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 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 1.35 -3.82 1.61 1.02 -1.18 -5.00 120.64 114.62 1lm0 n GLU 118 Ca -0.12 -2.27 -0.12 0.00 -0.02 0.00 0.00 57.16 54.63 1lm0 n GLU 118 Cb 0.48 -0.46 0.00 0.00 -0.02 0.00 0.00 31.44 31.45 1lm0 n GLU 118 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1lm0 n ASP 119 N -0.78 -0.99 0.00 1.62 9.92 -1.26 -0.82 116.55 124.24 1lm0 n ASP 119 Ca -0.03 -0.32 0.00 0.00 -0.53 0.00 0.00 54.79 53.91 1lm0 n ASP 119 Cb 0.84 -0.38 0.00 0.00 -0.64 0.00 0.00 41.12 40.94 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 -1.22 4.08 3.92 0.44 0.00 -1.26 -4.96 105.19 106.18 1lm0 n GLY 120 Ca -0.03 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 3.49 -0.20 1.61 3.01 -0.00 -4.58 119.74 123.07 1lm0 s LYS 121 Ca 0.00 -0.36 -0.03 0.00 -1.01 0.00 0.00 55.97 54.57 1lm0 s LYS 121 Cb 0.00 -2.96 -0.01 0.00 -1.01 0.00 0.00 37.83 33.85 1lm0 s LYS 121 CO 0.00 0.54 -0.07 -0.51 0.51 0.00 0.00 175.35 175.82 1lm0 s LEU 122 N -2.75 2.83 -1.04 3.17 1.02 -1.21 -3.11 118.68 117.58 1lm0 s LEU 122 Ca 0.37 -0.39 -0.21 0.00 0.02 0.00 0.00 54.13 53.92 1lm0 s LEU 122 Cb -0.12 -1.70 0.08 0.00 0.02 0.00 0.00 46.19 44.46 1lm0 s LEU 122 CO 0.27 0.02 1.40 0.00 0.02 0.00 0.00 176.35 178.07 1lm0 s ALA 123 N 1.25 3.02 -0.95 4.21 0.00 0.53 -0.52 121.76 129.31 1lm0 s ALA 123 Ca 0.03 -2.53 -0.02 0.00 0.00 0.00 0.00 51.96 49.45 1lm0 s ALA 123 Cb -0.14 -4.40 0.28 0.00 0.00 0.00 0.00 23.12 18.85 1lm0 s ALA 123 CO -0.02 -3.38 1.17 0.00 0.00 0.00 0.00 175.76 173.52 1lm0 n ALA 124 N 8.07 4.62 1.32 0.00 0.00 0.31 -0.88 120.51 133.95 1lm0 n ALA 124 Ca 0.33 -4.76 0.15 0.00 0.00 0.00 0.00 53.44 49.16 1lm0 n ALA 124 Cb 0.49 -1.90 0.70 0.00 0.00 0.00 0.00 19.45 18.75 1lm0 n ALA 124 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1lm0 n THR 125 N 1.46 0.00 -3.73 0.00 5.66 -0.84 -4.30 114.28 112.53 1lm0 n THR 125 Ca 0.26 -0.01 -0.36 0.00 -3.05 0.00 0.00 64.05 60.90 1lm0 n THR 125 Cb 0.36 -0.43 -0.10 0.00 -1.55 0.00 0.00 70.33 68.61 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 -2.67 2.62 -0.21 1.09 2.02 0.14 -5.01 118.70 116.69 1lm0 s GLU 126 Ca 0.25 -2.68 -0.14 0.00 0.02 0.00 0.00 54.97 52.43 1lm0 s GLU 126 Cb 0.20 -3.72 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 1lm0 s GLU 126 CO 0.48 -1.19 0.29 0.14 0.02 0.00 0.00 175.26 175.01 1lm0 s VAL 127 N -0.32 5.28 -0.29 2.63 -7.23 -1.26 -0.42 120.40 118.79 1lm0 s VAL 127 Ca 0.19 0.49 -0.04 0.00 -1.81 0.00 0.00 61.98 60.80 1lm0 s VAL 127 Cb -0.18 -3.63 0.03 0.00 0.56 0.00 0.00 36.38 33.15 1lm0 s VAL 127 CO -0.05 0.31 0.02 -0.76 -0.31 0.00 0.00 175.10 174.31 1lm0 s LEU 128 N 1.09 3.71 0.00 1.32 2.01 0.28 -4.87 118.68 122.22 1lm0 s LEU 128 Ca 0.14 -0.93 0.00 0.00 0.01 0.00 0.00 54.13 53.35 1lm0 s LEU 128 Cb -0.14 -1.78 0.00 0.00 0.01 0.00 0.00 46.19 44.28 1lm0 s LEU 128 CO 0.06 -0.20 1.54 0.00 1.01 0.00 0.00 176.35 178.76 1lm0 n ALA 129 N 4.75 3.35 -1.68 4.21 0.00 -1.26 -1.76 120.51 128.12 1lm0 n ALA 129 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.90 1lm0 n ALA 129 Cb 0.46 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 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 1.22 4.10 -0.21 0.00 2.85 -1.26 -4.71 118.16 120.15 1lm0 n LYS 130 Ca 0.00 -2.85 0.01 0.00 -1.05 0.00 0.00 58.31 54.43 1lm0 n LYS 130 Cb 0.46 -2.74 0.11 0.00 -0.65 0.00 0.00 35.03 32.21 1lm0 n LYS 130 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 1lm0 h HIS 131 N 4.87 0.11 0.00 5.58 2.07 -1.84 -3.47 115.15 122.47 1lm0 h HIS 131 Ca 0.77 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 58.33 1lm0 h HIS 131 Cb 0.31 0.05 0.00 0.00 2.57 0.00 0.00 27.41 30.34 1lm0 h HIS 131 CO 1.72 -0.09 0.00 -3.47 -3.07 0.00 0.00 177.93 173.02