#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lm0 h ASN 33 N 0.00 0.29 -0.23 4.04 -0.73 -2.01 0.12 115.58 117.06 1lm0 h ASN 33 Ca 0.00 0.13 0.07 0.00 1.87 0.00 0.00 56.30 58.37 1lm0 h ASN 33 Cb 0.00 0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.69 1lm0 h ASN 33 CO 0.00 0.06 0.28 0.25 -0.37 0.00 0.00 177.43 177.65 1lm0 h LEU 34 N 0.43 0.00 -6.18 0.34 6.46 -2.06 -3.33 115.31 110.97 1lm0 h LEU 34 Ca 0.47 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.95 1lm0 h LEU 34 Cb 0.80 0.00 -0.27 0.00 -0.73 0.00 0.00 40.66 40.46 1lm0 h LEU 34 CO -0.46 0.00 -0.63 0.20 -0.62 0.00 0.00 178.44 176.93 1lm0 s ASN 35 N -5.53 0.30 0.26 1.25 0.01 0.40 -4.60 114.94 107.04 1lm0 s ASN 35 Ca -0.04 -1.46 0.11 0.00 -0.71 0.00 0.00 52.86 50.76 1lm0 s ASN 35 Cb 0.15 0.97 -0.05 0.00 0.41 0.00 0.00 41.25 42.73 1lm0 s ASN 35 CO 0.52 -0.22 -0.15 -1.48 -1.51 0.00 0.00 177.10 174.27 1lm0 s LEU 36 N 1.43 2.75 -0.23 0.60 2.34 -1.08 -4.26 118.68 120.23 1lm0 s LEU 36 Ca 0.18 -0.88 -0.25 0.00 0.06 0.00 0.00 54.13 53.24 1lm0 s LEU 36 Cb -0.11 -1.30 -0.00 0.00 -0.56 0.00 0.00 46.19 44.22 1lm0 s LEU 36 CO -0.04 0.04 0.86 -0.36 -1.06 0.00 0.00 176.35 175.79 1lm0 s PHE 37 N -2.31 3.33 0.16 3.48 0.08 -1.25 -0.28 117.98 121.18 1lm0 s PHE 37 Ca 0.29 1.20 0.07 0.00 0.12 0.00 0.00 56.93 58.60 1lm0 s PHE 37 Cb -0.06 -3.07 -0.04 0.00 -0.57 0.00 0.00 43.02 39.28 1lm0 s PHE 37 CO 0.16 -0.39 -0.15 -0.47 -0.10 0.00 0.00 175.22 174.27 1lm0 s TYR 38 N 2.78 1.56 -0.17 0.36 5.04 0.03 -4.91 117.35 122.05 1lm0 s TYR 38 Ca 0.36 -0.57 -0.23 0.00 -2.44 0.00 0.00 57.07 54.20 1lm0 s TYR 38 Cb -0.15 -0.78 -0.02 0.00 0.35 0.00 0.00 41.96 41.36 1lm0 s TYR 38 CO 0.08 0.24 0.73 0.99 -1.34 0.00 0.00 175.55 176.25 1lm0 s THR 39 N -2.51 4.96 0.00 4.34 2.01 -1.26 -0.53 115.64 122.65 1lm0 s THR 39 Ca 0.15 1.43 0.00 0.00 0.31 0.00 0.00 61.69 63.58 1lm0 s THR 39 Cb -0.03 -4.05 0.00 0.00 0.01 0.00 0.00 72.50 68.43 1lm0 s THR 39 CO 0.05 0.09 0.00 -0.81 -0.69 0.00 0.00 174.62 173.26 1lm0 n PRO 40 N 4.96 0.00 0.16 4.92 -0.04 -1.26 -0.72 135.00 143.02 1lm0 n PRO 40 Ca 0.01 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.48 1lm0 n PRO 40 Cb 0.49 0.00 0.27 0.00 -0.04 0.00 0.00 33.50 34.22 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 0.57 3.54 0.02 -1.89 -3.29 113.55 112.51 1lm0 h SER 41 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1lm0 h SER 41 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 1lm0 h SER 41 CO 0.00 0.49 -0.28 -0.08 -1.14 0.00 0.00 176.83 175.83 1lm0 h GLU 42 N 0.00 -0.74 0.00 3.45 4.57 -1.27 -3.10 114.58 117.49 1lm0 h GLU 42 Ca -0.00 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1lm0 h GLU 42 Cb 0.91 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1lm0 h GLU 42 CO 0.06 -0.45 0.02 -0.84 -1.18 0.00 0.00 179.01 176.63 1lm0 h ILE 43 N -0.90 0.00 -0.14 2.32 3.07 -1.61 0.13 117.51 120.38 1lm0 h ILE 43 Ca -0.08 0.00 -0.21 0.00 1.55 0.00 0.00 64.86 66.12 1lm0 h ILE 43 Cb 0.64 0.60 0.00 0.00 -0.27 0.00 0.00 36.82 37.79 1lm0 h ILE 43 CO 0.13 0.00 -0.74 0.58 -1.05 0.00 0.00 178.15 177.07 1lm0 h VAL 44 N 0.00 1.31 -3.61 0.16 2.07 -1.65 -1.83 116.25 112.70 1lm0 h VAL 44 Ca 0.00 -1.99 -0.76 0.00 0.82 0.00 0.00 66.70 64.77 1lm0 h VAL 44 Cb 0.05 1.98 -0.30 0.00 -1.52 0.00 0.00 31.29 31.50 1lm0 h VAL 44 CO 0.00 0.62 0.05 0.20 0.02 0.00 0.00 177.57 178.46 1lm0 s ASN 45 N -7.05 6.42 -0.52 0.57 0.01 0.47 -4.57 114.94 110.27 1lm0 s ASN 45 Ca -0.09 -3.15 -0.00 0.00 -0.71 0.00 0.00 52.86 48.91 1lm0 s ASN 45 Cb 0.09 -2.08 -0.00 0.00 0.41 0.00 0.00 41.25 39.67 1lm0 s ASN 45 CO 0.88 -0.38 0.44 0.61 -1.51 0.00 0.00 177.10 177.14 1lm0 n GLY 46 N 3.24 0.07 0.00 0.66 0.00 -1.26 -4.99 105.19 102.91 1lm0 n GLY 46 Ca 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.37 0.00 0.43 1.61 4.76 -1.26 -4.70 118.16 116.64 1lm0 n LYS 47 Ca -0.11 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.13 1lm0 n LYS 47 Cb 0.57 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.67 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 0.15 -0.84 -0.18 2.02 -1.71 0.10 112.91 112.45 1lm0 h THR 48 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 1lm0 h THR 48 Cb 0.00 0.15 -0.15 0.00 -1.74 0.00 0.00 68.15 66.41 1lm0 h THR 48 CO 0.00 0.00 -0.26 -0.67 0.37 0.00 0.00 175.52 174.96 1lm0 n ASP 49 N -5.58 -0.41 0.02 4.18 -0.08 -0.71 -0.35 116.55 113.62 1lm0 n ASP 49 Ca -0.15 1.46 0.12 0.00 -1.51 0.00 0.00 54.79 54.71 1lm0 n ASP 49 Cb 0.45 -0.39 0.17 0.00 2.34 0.00 0.00 41.12 43.70 1lm0 n ASP 49 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1lm0 n THR 50 N -5.31 0.11 -3.20 5.18 -1.04 -1.15 -4.83 114.28 104.04 1lm0 n THR 50 Ca 0.11 -0.11 -0.23 0.00 -2.04 0.00 0.00 64.05 61.79 1lm0 n THR 50 Cb 0.38 0.19 0.01 0.00 -1.82 0.00 0.00 70.33 69.10 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 1.44 -0.50 0.08 3.41 0.00 0.53 -4.89 105.19 105.25 1lm0 n GLY 51 Ca 0.04 0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.21 0.71 0.00 1.61 0.24 -0.98 -4.82 118.33 110.88 1lm0 n VAL 52 Ca -0.06 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 1lm0 n VAL 52 Cb 0.58 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 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 -2.65 0.00 -2.56 7.34 4.76 -1.26 -5.02 118.16 118.77 1lm0 n LYS 53 Ca -0.06 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.04 1lm0 n LYS 53 Cb 0.68 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.83 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 -0.11 3.87 0.21 1.97 0.04 -1.26 -5.06 135.00 134.66 1lm0 s PRO 54 Ca 0.00 1.37 0.09 0.00 0.04 0.00 0.00 61.00 62.50 1lm0 s PRO 54 Cb 0.00 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1lm0 s PRO 54 CO 0.00 -0.37 -0.04 -1.21 0.04 0.00 0.00 177.00 175.42 1lm0 s GLU 55 N -3.13 2.24 0.96 4.56 2.02 -1.26 -4.41 118.70 119.67 1lm0 s GLU 55 Ca 0.66 -1.28 -0.12 0.00 0.02 0.00 0.00 54.97 54.25 1lm0 s GLU 55 Cb -0.17 -2.21 0.11 0.00 0.10 0.00 0.00 34.13 31.95 1lm0 s GLU 55 CO 0.21 0.42 0.77 0.00 0.02 0.00 0.00 175.26 176.67 1lm0 n ALA 56 N -0.34 -1.87 0.00 5.21 0.00 -1.26 -3.30 120.51 118.95 1lm0 n ALA 56 Ca -0.09 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1lm0 n ALA 56 Cb 0.57 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1lm0 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lm0 n GLY 57 N 0.93 2.20 3.86 0.00 0.00 0.42 -4.98 105.19 107.61 1lm0 n GLY 57 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.39 3.87 -0.13 1.61 -0.21 -1.21 -4.73 119.66 118.47 1lm0 s GLN 58 Ca 0.00 0.75 -0.13 0.00 0.02 0.00 0.00 55.36 56.00 1lm0 s GLN 58 Cb 0.00 -2.24 -0.05 0.00 1.00 0.00 0.00 33.01 31.72 1lm0 s GLN 58 CO 0.00 -0.18 0.30 1.03 -2.12 0.00 0.00 175.29 174.32 1lm0 s ARG 59 N -4.00 4.13 0.32 2.91 0.52 -1.26 -0.67 118.95 120.90 1lm0 s ARG 59 Ca 0.56 0.12 -0.01 0.00 -0.52 0.00 0.00 55.73 55.88 1lm0 s ARG 59 Cb -0.10 -3.37 -0.01 0.00 0.52 0.00 0.00 34.95 31.99 1lm0 s ARG 59 CO 0.32 0.35 0.41 0.96 0.02 0.00 0.00 175.30 177.36 1lm0 s ILE 60 N 0.10 0.00 -0.07 1.52 -4.36 -1.26 -4.39 121.20 112.74 1lm0 s ILE 60 Ca 0.18 -1.70 0.04 0.00 -0.26 0.00 0.00 60.65 58.91 1lm0 s ILE 60 Cb -0.13 -2.57 -0.02 0.00 1.25 0.00 0.00 42.46 40.99 1lm0 s ILE 60 CO 0.05 0.00 -0.20 -0.13 0.24 0.00 0.00 174.94 174.90 1lm0 s ARG 61 N -3.28 2.71 -0.13 0.37 0.52 0.61 -3.30 118.95 116.46 1lm0 s ARG 61 Ca 0.33 -0.81 -0.05 0.00 -0.52 0.00 0.00 55.73 54.68 1lm0 s ARG 61 Cb 0.01 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 33.12 1lm0 s ARG 61 CO 0.21 0.41 0.06 0.54 0.02 0.00 0.00 175.30 176.53 1lm0 s VAL 62 N -0.20 4.82 -0.06 3.52 0.11 0.81 -0.79 120.40 128.60 1lm0 s VAL 62 Ca -0.01 -0.04 -0.03 0.00 -2.93 0.00 0.00 61.98 58.97 1lm0 s VAL 62 Cb -0.13 -3.10 0.04 0.00 -1.53 0.00 0.00 36.38 31.65 1lm0 s VAL 62 CO 0.03 0.56 0.11 -0.83 -3.33 0.00 0.00 175.10 171.64 1lm0 s GLY 63 N -0.46 0.12 0.00 6.54 0.00 0.31 -0.37 107.32 113.46 1lm0 s GLY 63 Ca 0.10 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.21 1lm0 s GLY 63 CO 0.02 1.53 0.00 0.61 0.00 0.00 0.00 173.10 175.26 1lm0 n GLY 64 N 5.30 1.43 3.73 0.20 0.00 -1.06 -4.04 105.19 110.74 1lm0 n GLY 64 Ca -0.04 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 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 0.06 3.64 -0.14 1.61 0.23 0.28 -2.16 119.30 122.83 1lm0 s MET 65 Ca 0.00 -0.28 -0.10 0.00 -1.03 0.00 0.00 55.69 54.28 1lm0 s MET 65 Cb 0.00 -3.14 -0.05 0.00 -1.53 0.00 0.00 34.83 30.11 1lm0 s MET 65 CO 0.00 0.52 0.20 0.54 -2.03 0.00 0.00 175.02 174.24 1lm0 s VAL 66 N -0.31 5.39 0.60 5.16 0.11 -0.37 -1.62 120.40 129.36 1lm0 s VAL 66 Ca 0.09 0.34 -0.18 0.00 -2.93 0.00 0.00 61.98 59.30 1lm0 s VAL 66 Cb -0.12 -3.50 -0.03 0.00 -1.53 0.00 0.00 36.38 31.20 1lm0 s VAL 66 CO 0.01 0.52 1.14 -0.89 -3.33 0.00 0.00 175.10 172.56 1lm0 s THR 67 N -0.36 3.06 0.02 5.04 2.01 -1.26 -3.18 115.64 120.97 1lm0 s THR 67 Ca 0.14 0.60 -0.13 0.00 0.31 0.00 0.00 61.69 62.61 1lm0 s THR 67 Cb -0.12 -3.18 -0.07 0.00 0.01 0.00 0.00 72.50 69.13 1lm0 s THR 67 CO 0.03 -0.20 1.13 1.62 -0.69 0.00 0.00 174.62 176.51 1lm0 h VAL 68 N 0.72 0.00 -0.10 3.82 3.04 -1.91 -3.27 116.25 118.55 1lm0 h VAL 68 Ca -0.49 -0.03 -0.08 0.00 -1.01 0.00 0.00 66.70 65.10 1lm0 h VAL 68 Cb 1.26 0.00 -0.03 0.00 -2.01 0.00 0.00 31.29 30.51 1lm0 h VAL 68 CO 0.55 0.00 0.06 0.61 -1.01 0.00 0.00 177.57 177.78 1lm0 n GLY 69 N -1.03 2.85 0.05 3.17 0.00 -1.26 -3.99 105.19 104.97 1lm0 n GLY 69 Ca -0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.62 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 1.35 2.22 -4.57 1.61 7.64 -1.23 -4.92 113.62 115.72 1lm0 n SER 70 Ca 0.09 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.55 1lm0 n SER 70 Cb 0.54 0.93 -0.03 0.00 -1.01 0.00 0.00 64.21 64.64 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 -2.38 3.32 0.02 1.43 1.75 -1.26 -4.23 119.30 117.94 1lm0 s MET 71 Ca -0.05 0.07 -0.02 0.00 -1.25 0.00 0.00 55.69 54.44 1lm0 s MET 71 Cb 0.04 -4.11 -0.04 0.00 2.84 0.00 0.00 34.83 33.56 1lm0 s MET 71 CO 0.47 -1.95 0.19 0.14 -0.65 0.00 0.00 175.02 173.21 1lm0 s VAL 72 N 5.57 5.38 -0.04 10.11 -7.23 -0.15 -4.95 120.40 129.08 1lm0 s VAL 72 Ca 0.41 -0.26 -0.03 0.00 -1.81 0.00 0.00 61.98 60.29 1lm0 s VAL 72 Cb -0.08 -3.55 0.02 0.00 0.56 0.00 0.00 36.38 33.32 1lm0 s VAL 72 CO 0.21 0.26 0.11 0.00 -0.31 0.00 0.00 175.10 175.36 1lm0 s ARG 73 N -2.14 0.11 0.63 4.82 1.70 -1.26 -0.78 118.95 122.03 1lm0 s ARG 73 Ca 0.30 0.19 -0.16 0.00 -0.47 0.00 0.00 55.73 55.59 1lm0 s ARG 73 Cb -0.13 -0.00 -0.02 0.00 -0.57 0.00 0.00 34.95 34.23 1lm0 s ARG 73 CO 0.22 -0.05 1.11 -0.51 -1.08 0.00 0.00 175.30 174.98 1lm0 s ASP 74 N 0.33 5.31 0.50 -2.89 1.11 0.24 -4.92 116.67 116.34 1lm0 s ASP 74 Ca -0.02 2.02 0.25 0.00 0.18 0.00 0.00 52.55 54.97 1lm0 s ASP 74 Cb -0.03 -2.56 1.30 0.00 1.07 0.00 0.00 42.92 42.70 1lm0 s ASP 74 CO -0.01 -1.50 2.02 1.55 1.18 0.00 0.00 175.17 178.42 1lm0 h PRO 75 N 0.33 0.00 -1.10 8.23 0.13 -2.02 0.12 132.00 137.69 1lm0 h PRO 75 Ca -0.47 0.00 0.32 0.00 -0.87 0.00 0.00 66.00 64.98 1lm0 h PRO 75 Cb 1.25 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 1lm0 h PRO 75 CO 0.55 0.16 0.80 -0.91 -0.23 0.00 0.00 178.00 178.36 1lm0 h ASN 76 N 0.00 0.00 -1.09 1.44 2.35 -1.92 -3.45 115.58 112.90 1lm0 h ASN 76 Ca -0.00 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.48 1lm0 h ASN 76 Cb 0.40 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.69 1lm0 h ASN 76 CO 0.02 0.00 -0.28 -1.20 -1.65 0.00 0.00 177.43 174.32 1lm0 n SER 77 N -4.20 -4.42 0.00 5.81 7.64 0.42 -4.79 113.62 114.08 1lm0 n SER 77 Ca 0.23 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.32 1lm0 n SER 77 Cb 1.17 -3.27 0.00 0.00 -1.01 0.00 0.00 64.21 61.10 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 -1.65 1.17 -4.71 -3.43 -0.00 -1.26 -4.59 117.00 102.53 1lm0 n LEU 78 Ca -0.14 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.46 1lm0 n LEU 78 Cb 0.50 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.88 1lm0 n LEU 78 CO 0.19 0.13 0.51 -1.00 -0.00 0.00 0.00 177.39 177.22 1lm0 s HIS 79 N -1.82 3.58 -0.05 1.47 3.76 -1.26 -2.13 115.29 118.85 1lm0 s HIS 79 Ca 0.00 1.38 -0.11 0.00 -0.15 0.00 0.00 55.06 56.18 1lm0 s HIS 79 Cb 0.00 -2.92 0.02 0.00 1.11 0.00 0.00 32.58 30.78 1lm0 s HIS 79 CO 0.00 0.01 0.25 0.14 -0.85 0.00 0.00 174.74 174.29 1lm0 s VAL 80 N 1.05 0.04 0.04 -0.90 -7.23 0.07 -0.59 120.40 112.88 1lm0 s VAL 80 Ca 0.42 -0.33 -0.15 0.00 -1.81 0.00 0.00 61.98 60.11 1lm0 s VAL 80 Cb -0.18 -0.47 0.02 0.00 0.56 0.00 0.00 36.38 36.31 1lm0 s VAL 80 CO 0.20 -0.18 0.33 0.00 -0.31 0.00 0.00 175.10 175.14 1lm0 s GLN 81 N -0.72 0.84 -0.21 4.82 -2.07 0.04 -0.34 119.66 122.02 1lm0 s GLN 81 Ca -0.08 -0.48 -0.18 0.00 -1.82 0.00 0.00 55.36 52.81 1lm0 s GLN 81 Cb -0.04 0.36 0.06 0.00 -1.09 0.00 0.00 33.01 32.30 1lm0 s GLN 81 CO 0.02 -0.27 0.54 -0.59 -1.32 0.00 0.00 175.29 173.67 1lm0 s PHE 82 N -2.55 -0.64 -0.15 9.60 -0.71 0.13 -0.98 117.98 122.68 1lm0 s PHE 82 Ca -0.05 1.50 -0.26 0.00 -1.04 0.00 0.00 56.93 57.08 1lm0 s PHE 82 Cb -0.01 0.25 -0.02 0.00 -1.21 0.00 0.00 43.02 42.03 1lm0 s PHE 82 CO -0.03 -0.31 0.84 0.00 -1.34 0.00 0.00 175.22 174.37 1lm0 s ALA 83 N 0.53 3.49 0.05 1.99 0.00 -1.26 0.07 121.76 126.63 1lm0 s ALA 83 Ca -0.02 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.06 1lm0 s ALA 83 Cb -0.04 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 1lm0 s ALA 83 CO -0.03 -0.60 -0.00 0.08 0.00 0.00 0.00 175.76 175.21 1lm0 s VAL 84 N 2.03 4.07 0.34 0.00 1.01 0.13 -4.07 120.40 123.91 1lm0 s VAL 84 Ca 0.39 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1lm0 s VAL 84 Cb -0.17 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 1lm0 s VAL 84 CO 0.13 0.23 0.40 -1.38 0.00 0.00 0.00 175.10 174.49 1lm0 s HIS 85 N -1.21 1.34 -0.07 5.22 -3.43 -0.64 -0.90 115.29 115.61 1lm0 s HIS 85 Ca 0.23 -1.45 0.13 0.00 -0.80 0.00 0.00 55.06 53.17 1lm0 s HIS 85 Cb -0.12 -0.33 0.24 0.00 -1.43 0.00 0.00 32.58 30.95 1lm0 s HIS 85 CO 0.15 -1.04 1.11 -3.47 -2.00 0.00 0.00 174.74 169.49 1lm0 n ASP 86 N -1.48 1.11 -2.09 7.38 -0.08 -1.26 -0.56 116.55 119.58 1lm0 n ASP 86 Ca 0.03 -2.60 -0.08 0.00 -1.51 0.00 0.00 54.79 50.64 1lm0 n ASP 86 Cb 0.62 -0.34 -0.01 0.00 2.34 0.00 0.00 41.12 43.73 1lm0 n ASP 86 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1lm0 n SER 87 N -0.44 -2.71 -0.02 1.67 2.88 -1.26 -4.82 113.62 108.93 1lm0 n SER 87 Ca 0.09 0.27 -0.02 0.00 -1.33 0.00 0.00 58.87 57.88 1lm0 n SER 87 Cb 0.79 -2.45 -0.01 0.00 -0.75 0.00 0.00 64.21 61.79 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 -2.35 0.44 -2.34 2.46 4.77 -1.26 -5.00 117.00 113.72 1lm0 n LEU 88 Ca -0.09 0.07 -0.03 0.00 -0.03 0.00 0.00 56.01 55.93 1lm0 n LEU 88 Cb 0.48 -0.52 0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1lm0 n LEU 88 CO 0.12 -0.46 0.50 0.61 -1.33 0.00 0.00 177.39 176.84 1lm0 n GLY 89 N 1.65 0.12 0.00 -0.72 0.00 -1.26 -5.14 105.19 99.85 1lm0 n GLY 89 Ca -0.03 -0.06 0.00 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 -0.60 1.84 3.00 -0.02 0.00 -1.26 -4.89 105.19 103.26 1lm0 n GLY 90 Ca -0.14 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 1lm0 n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lm0 s GLU 91 N -2.00 0.44 0.18 1.61 2.12 -1.26 -3.81 118.70 115.98 1lm0 s GLU 91 Ca 0.00 -0.46 0.08 0.00 0.36 0.00 0.00 54.97 54.94 1lm0 s GLU 91 Cb 0.00 -0.31 -0.04 0.00 0.26 0.00 0.00 34.13 34.04 1lm0 s GLU 91 CO 0.00 0.07 -0.15 0.42 -0.54 0.00 0.00 175.26 175.06 1lm0 s ILE 92 N -0.76 1.69 -0.27 -3.70 -1.09 -0.07 -4.91 121.20 112.08 1lm0 s ILE 92 Ca -0.05 -2.08 -0.07 0.00 -2.23 0.00 0.00 60.65 56.22 1lm0 s ILE 92 Cb -0.06 -1.93 -0.01 0.00 -1.58 0.00 0.00 42.46 38.88 1lm0 s ILE 92 CO 0.00 -0.52 0.07 -0.76 -1.23 0.00 0.00 174.94 172.50 1lm0 s LEU 93 N -3.06 3.59 0.15 2.97 1.43 -1.26 0.22 118.68 122.71 1lm0 s LEU 93 Ca 0.19 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 52.61 1lm0 s LEU 93 Cb -0.02 -1.89 -0.08 0.00 0.03 0.00 0.00 46.19 44.23 1lm0 s LEU 93 CO 0.06 -0.11 0.68 -0.69 0.23 0.00 0.00 176.35 176.52 1lm0 s VAL 94 N 1.55 4.56 0.12 -1.59 1.01 0.11 -3.58 120.40 122.59 1lm0 s VAL 94 Ca 0.05 1.40 0.10 0.00 0.00 0.00 0.00 61.98 63.53 1lm0 s VAL 94 Cb -0.16 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1lm0 s VAL 94 CO 0.02 0.45 -0.26 0.42 0.00 0.00 0.00 175.10 175.73 1lm0 s THR 95 N -1.24 2.16 -0.06 3.92 -4.23 0.49 -0.69 115.64 115.99 1lm0 s THR 95 Ca 0.35 -1.70 -0.07 0.00 -1.18 0.00 0.00 61.69 59.09 1lm0 s THR 95 Cb -0.20 -1.91 0.02 0.00 1.34 0.00 0.00 72.50 71.74 1lm0 s THR 95 CO 0.22 0.08 0.20 -0.31 -0.54 0.00 0.00 174.62 174.27 1lm0 s TYR 96 N -1.06 -0.17 -0.33 3.99 1.51 0.53 -1.35 117.35 120.47 1lm0 s TYR 96 Ca 0.13 0.41 0.11 0.00 -1.01 0.00 0.00 57.07 56.70 1lm0 s TYR 96 Cb -0.10 0.05 0.27 0.00 -0.11 0.00 0.00 41.96 42.07 1lm0 s TYR 96 CO 0.05 -0.15 1.20 -0.40 -1.11 0.00 0.00 175.55 175.14 1lm0 n ASP 97 N 2.62 2.77 -4.57 2.29 5.75 -1.26 -0.75 116.55 123.39 1lm0 n ASP 97 Ca -0.15 -2.46 -0.25 0.00 -0.01 0.00 0.00 54.79 51.93 1lm0 n ASP 97 Cb 0.58 -0.28 -0.09 0.00 -1.03 0.00 0.00 41.12 40.30 1lm0 n ASP 97 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1lm0 s ASP 98 N -1.60 3.97 -0.24 -1.12 1.01 -0.90 -4.45 116.67 113.33 1lm0 s ASP 98 Ca 0.23 -1.02 -0.29 0.00 0.71 0.00 0.00 52.55 52.18 1lm0 s ASP 98 Cb 0.17 -0.46 -0.03 0.00 1.01 0.00 0.00 42.92 43.61 1lm0 s ASP 98 CO 0.07 -0.15 1.74 -0.76 0.21 0.00 0.00 175.17 176.29 1lm0 s LEU 99 N -3.64 3.76 0.79 1.23 1.02 -1.25 -4.61 118.68 115.97 1lm0 s LEU 99 Ca 0.33 1.60 -0.13 0.00 0.02 0.00 0.00 54.13 55.94 1lm0 s LEU 99 Cb -0.01 -3.53 0.07 0.00 0.02 0.00 0.00 46.19 42.74 1lm0 s LEU 99 CO 0.18 -1.45 1.19 -0.76 0.02 0.00 0.00 176.35 175.52 1lm0 s LEU 100 N 5.95 3.17 0.51 1.79 1.43 -1.26 -5.01 118.68 125.26 1lm0 s LEU 100 Ca 0.77 2.29 -0.21 0.00 -1.03 0.00 0.00 54.13 55.95 1lm0 s LEU 100 Cb -0.26 -4.58 -0.06 0.00 0.03 0.00 0.00 46.19 41.32 1lm0 s LEU 100 CO 0.32 -2.49 1.19 -2.16 0.23 0.00 0.00 176.35 173.43 1lm0 s PRO 101 N -4.17 3.49 -1.54 1.29 0.04 -1.26 -3.64 135.00 129.20 1lm0 s PRO 101 Ca 0.72 1.80 -0.01 0.00 0.04 0.00 0.00 61.00 63.54 1lm0 s PRO 101 Cb -0.27 -2.23 0.01 0.00 0.04 0.00 0.00 34.50 32.05 1lm0 s PRO 101 CO 0.50 -0.78 0.11 -0.25 0.04 0.00 0.00 177.00 176.61 1lm0 n ASP 102 N -0.88 0.56 -1.42 6.66 9.92 -1.26 0.02 116.55 130.16 1lm0 n ASP 102 Ca 0.09 -1.23 -0.05 0.00 -0.53 0.00 0.00 54.79 53.08 1lm0 n ASP 102 Cb 0.49 -1.86 -0.02 0.00 -0.64 0.00 0.00 41.12 39.08 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 -4.53 -0.39 -2.17 0.64 -0.00 -1.24 -2.82 117.00 106.48 1lm0 n LEU 103 Ca -0.30 0.18 0.00 0.00 -0.00 0.00 0.00 56.01 55.88 1lm0 n LEU 103 Cb 0.68 -1.16 0.00 0.00 -0.00 0.00 0.00 43.42 42.94 1lm0 n LEU 103 CO 0.84 -0.23 -0.27 0.33 -0.00 0.00 0.00 177.39 178.06 1lm0 n PHE 104 N -1.65 -2.72 -2.50 1.47 -0.00 0.10 -4.89 117.46 107.27 1lm0 n PHE 104 Ca -0.05 1.62 -0.43 0.00 -0.00 0.00 0.00 57.45 58.59 1lm0 n PHE 104 Cb 0.24 -2.56 -0.02 0.00 -0.00 0.00 0.00 39.48 37.15 1lm0 n PHE 104 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1lm0 s ARG 105 N -0.33 3.81 0.82 -4.13 1.81 -1.13 -4.99 118.95 114.80 1lm0 s ARG 105 Ca 0.00 0.93 -0.11 0.00 -1.72 0.00 0.00 55.73 54.84 1lm0 s ARG 105 Cb 0.00 -3.89 0.11 0.00 -0.45 0.00 0.00 34.95 30.72 1lm0 s ARG 105 CO 0.00 -1.26 1.16 -1.21 -0.68 0.00 0.00 175.30 173.31 1lm0 s GLU 106 N 4.32 1.64 -1.15 3.54 8.01 -1.26 -4.51 118.70 129.29 1lm0 s GLU 106 Ca 0.53 -0.22 -0.05 0.00 0.01 0.00 0.00 54.97 55.23 1lm0 s GLU 106 Cb -0.12 -2.01 0.01 0.00 -4.31 0.00 0.00 34.13 27.69 1lm0 s GLU 106 CO 0.26 -1.71 0.99 0.41 0.01 0.00 0.00 175.26 175.22 1lm0 n GLY 107 N -3.30 -0.34 3.74 -1.39 0.00 -1.19 -4.88 105.19 97.84 1lm0 n GLY 107 Ca 0.10 0.11 -0.10 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 -5.82 2.07 0.01 1.61 -2.07 -1.20 -4.91 119.66 109.34 1lm0 s GLN 108 Ca 0.33 -1.42 -0.14 0.00 -1.82 0.00 0.00 55.36 52.30 1lm0 s GLN 108 Cb -0.15 0.58 -0.06 0.00 -1.09 0.00 0.00 33.01 32.30 1lm0 s GLN 108 CO 0.65 -0.94 0.41 0.20 -1.32 0.00 0.00 175.29 174.29 1lm0 s GLY 109 N -3.08 2.47 0.17 2.60 0.00 -1.26 -1.23 107.32 106.99 1lm0 s GLY 109 Ca 0.18 -0.23 -0.09 0.00 0.00 0.00 0.00 44.72 44.58 1lm0 s GLY 109 CO 0.12 0.13 0.30 -0.26 0.00 0.00 0.00 173.10 173.39 1lm0 s ILE 110 N -1.10 0.06 -0.03 0.90 -5.25 -0.92 -4.46 121.20 110.40 1lm0 s ILE 110 Ca 0.24 -1.35 0.03 0.00 -0.99 0.00 0.00 60.65 58.59 1lm0 s ILE 110 Cb -0.17 -1.82 -0.00 0.00 2.95 0.00 0.00 42.46 43.42 1lm0 s ILE 110 CO 0.14 -0.29 -0.13 0.68 -1.79 0.00 0.00 174.94 173.55 1lm0 s VAL 111 N -3.96 1.09 0.11 8.37 -7.23 -1.21 -2.55 120.40 115.03 1lm0 s VAL 111 Ca 0.17 -0.54 0.06 0.00 -1.81 0.00 0.00 61.98 59.86 1lm0 s VAL 111 Cb 0.03 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.99 1lm0 s VAL 111 CO -0.00 0.32 -0.16 0.00 -0.31 0.00 0.00 175.10 174.95 1lm0 s ALA 112 N 0.09 1.54 0.04 1.32 0.00 0.50 -0.46 121.76 124.80 1lm0 s ALA 112 Ca -0.03 -1.24 -0.11 0.00 0.00 0.00 0.00 51.96 50.58 1lm0 s ALA 112 Cb -0.10 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1lm0 s ALA 112 CO 0.01 0.18 0.24 1.14 0.00 0.00 0.00 175.76 177.32 1lm0 s GLN 113 N -2.35 0.75 0.00 0.00 -2.07 0.50 -0.13 119.66 116.36 1lm0 s GLN 113 Ca 0.07 -0.60 0.00 0.00 -1.82 0.00 0.00 55.36 53.01 1lm0 s GLN 113 Cb -0.07 0.31 0.00 0.00 -1.09 0.00 0.00 33.01 32.16 1lm0 s GLN 113 CO 0.03 -0.23 0.00 0.41 -1.32 0.00 0.00 175.29 174.19 1lm0 n GLY 114 N 0.60 -2.02 3.56 2.60 0.00 -1.21 -0.92 105.19 107.80 1lm0 n GLY 114 Ca -0.19 0.75 -0.14 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 0.08 1.61 0.11 0.13 -4.54 120.40 117.78 1lm0 s VAL 115 Ca 0.00 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.89 1lm0 s VAL 115 Cb 0.00 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.79 1lm0 s VAL 115 CO 0.00 0.00 0.51 -0.76 -3.33 0.00 0.00 175.10 171.52 1lm0 s LEU 116 N -0.97 4.45 0.13 2.54 1.43 0.15 -0.10 118.68 126.31 1lm0 s LEU 116 Ca -0.06 1.10 0.04 0.00 -1.03 0.00 0.00 54.13 54.19 1lm0 s LEU 116 Cb -0.01 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 1lm0 s LEU 116 CO 0.05 0.23 -0.11 -0.83 0.23 0.00 0.00 176.35 175.93 1lm0 s GLY 117 N -1.32 1.02 -1.43 -3.19 0.00 0.36 -0.43 107.32 102.33 1lm0 s GLY 117 Ca 0.30 -1.40 -0.05 0.00 0.00 0.00 0.00 44.72 43.58 1lm0 s GLY 117 CO 0.17 -1.49 0.40 -2.21 0.00 0.00 0.00 173.10 169.98 1lm0 n GLU 118 N 0.06 -3.63 -2.89 2.90 2.13 -1.26 -0.45 120.64 117.51 1lm0 n GLU 118 Ca -0.12 0.75 -0.13 0.00 0.66 0.00 0.00 57.16 58.31 1lm0 n GLU 118 Cb 0.59 -5.50 -0.03 0.00 0.27 0.00 0.00 31.44 26.77 1lm0 n GLU 118 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1lm0 n ASP 119 N -2.28 -0.15 0.00 4.31 8.00 -1.26 -4.09 116.55 121.08 1lm0 n ASP 119 Ca -0.11 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 54.93 1lm0 n ASP 119 Cb 0.61 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1lm0 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lm0 n GLY 120 N -1.14 -0.10 3.56 0.44 0.00 -0.00 -3.11 105.19 104.83 1lm0 n GLY 120 Ca -0.04 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.82 3.62 -0.36 1.61 3.01 0.41 -4.63 119.74 121.58 1lm0 s LYS 121 Ca 0.00 -0.05 -0.23 0.00 -1.01 0.00 0.00 55.97 54.68 1lm0 s LYS 121 Cb 0.00 -3.82 0.01 0.00 -1.01 0.00 0.00 37.83 33.00 1lm0 s LYS 121 CO 0.00 -0.74 0.77 -0.51 0.51 0.00 0.00 175.35 175.38 1lm0 s LEU 122 N 2.64 4.14 -0.70 3.17 1.43 -1.23 -0.49 118.68 127.63 1lm0 s LEU 122 Ca 0.23 0.35 -0.22 0.00 -1.03 0.00 0.00 54.13 53.45 1lm0 s LEU 122 Cb -0.15 -3.01 0.08 0.00 0.03 0.00 0.00 46.19 43.14 1lm0 s LEU 122 CO 0.15 -0.72 1.00 0.00 0.23 0.00 0.00 176.35 177.01 1lm0 s ALA 123 N 3.07 3.14 0.23 4.21 0.00 0.86 -0.38 121.76 132.88 1lm0 s ALA 123 Ca 0.31 -1.97 0.05 0.00 0.00 0.00 0.00 51.96 50.35 1lm0 s ALA 123 Cb -0.13 -3.90 -0.03 0.00 0.00 0.00 0.00 23.12 19.05 1lm0 s ALA 123 CO 0.17 -2.83 0.30 0.00 0.00 0.00 0.00 175.76 173.40 1lm0 s ALA 124 N 3.91 3.82 0.00 0.00 0.00 -0.46 -0.69 121.76 128.35 1lm0 s ALA 124 Ca 0.24 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1lm0 s ALA 124 Cb -0.15 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1lm0 s ALA 124 CO 0.07 0.29 0.00 -2.37 0.00 0.00 0.00 175.76 173.75 1lm0 n THR 125 N -1.20 0.00 -3.36 0.00 5.66 -0.10 -4.48 114.28 110.81 1lm0 n THR 125 Ca -0.08 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.54 1lm0 n THR 125 Cb 0.57 -0.20 -0.06 0.00 -1.55 0.00 0.00 70.33 69.08 1lm0 n THR 125 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1lm0 s GLU 126 N -1.34 4.32 -0.01 1.09 2.12 -1.04 -4.96 118.70 118.87 1lm0 s GLU 126 Ca 0.00 0.37 0.05 0.00 0.36 0.00 0.00 54.97 55.75 1lm0 s GLU 126 Cb 0.00 -3.44 -0.01 0.00 0.26 0.00 0.00 34.13 30.94 1lm0 s GLU 126 CO 0.00 0.17 -0.16 0.14 -0.54 0.00 0.00 175.26 174.86 1lm0 s VAL 127 N 0.62 1.29 -0.66 3.70 -7.23 -1.26 -0.37 120.40 116.48 1lm0 s VAL 127 Ca 0.24 -0.70 -0.01 0.00 -1.81 0.00 0.00 61.98 59.70 1lm0 s VAL 127 Cb -0.15 -1.07 0.17 0.00 0.56 0.00 0.00 36.38 35.89 1lm0 s VAL 127 CO 0.09 0.36 0.48 -0.76 -0.31 0.00 0.00 175.10 174.95 1lm0 s LEU 128 N -0.39 5.09 -1.16 1.32 2.01 0.40 -4.98 118.68 120.96 1lm0 s LEU 128 Ca 0.06 -3.15 -0.09 0.00 0.01 0.00 0.00 54.13 50.97 1lm0 s LEU 128 Cb -0.06 -1.80 -0.13 0.00 0.01 0.00 0.00 46.19 44.20 1lm0 s LEU 128 CO -0.01 -0.28 3.08 0.00 1.01 0.00 0.00 176.35 180.15 1lm0 n ALA 129 N 3.05 7.09 -0.84 4.21 0.00 -1.26 -3.29 120.51 129.47 1lm0 n ALA 129 Ca 0.11 -2.99 -0.09 0.00 0.00 0.00 0.00 53.44 50.47 1lm0 n ALA 129 Cb 0.36 -3.08 -0.12 0.00 0.00 0.00 0.00 19.45 16.61 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 3.33 1.68 -2.77 0.00 2.85 -1.26 -4.11 118.16 117.87 1lm0 n LYS 130 Ca 0.67 -0.73 -0.10 0.00 -1.05 0.00 0.00 58.31 57.10 1lm0 n LYS 130 Cb 0.40 -1.76 0.05 0.00 -0.65 0.00 0.00 35.03 33.07 1lm0 n LYS 130 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1lm0 n HIS 131 N 2.29 -0.25 -0.68 5.58 8.25 -1.26 -5.07 115.22 124.08 1lm0 n HIS 131 Ca 0.31 -2.70 0.00 0.00 -0.26 0.00 0.00 57.72 55.07 1lm0 n HIS 131 Cb 0.78 0.27 0.00 0.00 1.12 0.00 0.00 29.99 32.16 1lm0 n HIS 131 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51