#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lm0 n ASN 33 N 0.00 -1.88 -4.14 -3.46 6.94 -1.26 -5.09 115.26 106.37 1lm0 n ASN 33 Ca 0.00 -2.79 -0.27 0.00 -0.02 0.00 0.00 54.58 51.50 1lm0 n ASN 33 Cb 0.00 1.45 -0.16 0.00 -2.36 0.00 0.00 39.78 38.71 1lm0 n ASN 33 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1lm0 s LEU 34 N -2.27 1.91 -0.42 -4.53 1.43 -1.26 -5.10 118.68 108.43 1lm0 s LEU 34 Ca 0.20 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 52.99 1lm0 s LEU 34 Cb 0.29 -1.03 0.18 0.00 0.03 0.00 0.00 46.19 45.66 1lm0 s LEU 34 CO -0.09 0.14 0.66 0.54 0.23 0.00 0.00 176.35 177.84 1lm0 s ASN 35 N 0.14 -1.48 0.10 2.29 4.22 -1.26 -4.05 114.94 114.90 1lm0 s ASN 35 Ca -0.07 -0.91 0.00 0.00 -2.14 0.00 0.00 52.86 49.74 1lm0 s ASN 35 Cb -0.13 1.90 -0.04 0.00 1.28 0.00 0.00 41.25 44.26 1lm0 s ASN 35 CO 0.03 -0.14 -0.02 -1.48 -2.04 0.00 0.00 177.10 173.45 1lm0 s LEU 36 N 1.69 2.30 -0.19 3.54 2.34 -1.26 -4.93 118.68 122.16 1lm0 s LEU 36 Ca 0.18 -1.07 -0.26 0.00 0.06 0.00 0.00 54.13 53.05 1lm0 s LEU 36 Cb -0.03 0.11 -0.01 0.00 -0.56 0.00 0.00 46.19 45.70 1lm0 s LEU 36 CO -0.07 -0.58 0.87 -0.36 -1.06 0.00 0.00 176.35 175.14 1lm0 s PHE 37 N -3.83 3.39 0.15 3.48 0.08 -1.26 -0.48 117.98 119.51 1lm0 s PHE 37 Ca 0.14 1.27 0.05 0.00 0.12 0.00 0.00 56.93 58.51 1lm0 s PHE 37 Cb 0.07 -3.07 -0.04 0.00 -0.57 0.00 0.00 43.02 39.41 1lm0 s PHE 37 CO -0.04 -0.31 -0.10 0.71 -0.10 0.00 0.00 175.22 175.37 1lm0 s TYR 38 N 2.45 1.28 0.40 0.36 2.02 0.13 -4.97 117.35 119.03 1lm0 s TYR 38 Ca 0.39 -0.74 -0.22 0.00 -0.37 0.00 0.00 57.07 56.13 1lm0 s TYR 38 Cb -0.16 -0.65 -0.11 0.00 -0.40 0.00 0.00 41.96 40.64 1lm0 s TYR 38 CO 0.11 0.09 0.95 0.95 -1.57 0.00 0.00 175.55 176.08 1lm0 s THR 39 N -3.22 4.31 0.52 -0.71 -4.23 -1.26 -0.61 115.64 110.43 1lm0 s THR 39 Ca 0.16 1.56 0.19 0.00 -1.18 0.00 0.00 61.69 62.42 1lm0 s THR 39 Cb 0.02 -3.71 0.27 0.00 1.34 0.00 0.00 72.50 70.42 1lm0 s THR 39 CO 0.01 -0.19 2.14 1.55 -0.54 0.00 0.00 174.62 177.59 1lm0 h PRO 40 N 2.25 0.00 -0.65 3.99 0.13 -1.82 0.03 132.00 135.93 1lm0 h PRO 40 Ca -0.48 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.83 1lm0 h PRO 40 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1lm0 h PRO 40 CO 0.62 0.04 0.51 0.66 -0.23 0.00 0.00 178.00 179.60 1lm0 h SER 41 N 0.00 0.00 0.96 1.44 4.64 -1.86 0.12 113.55 118.85 1lm0 h SER 41 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lm0 h SER 41 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1lm0 h SER 41 CO 0.01 0.00 -0.09 1.21 -0.87 0.00 0.00 176.83 177.08 1lm0 n GLU 42 N -4.14 0.03 -1.53 4.77 4.07 -0.00 -4.07 120.64 119.76 1lm0 n GLU 42 Ca 0.13 0.02 -0.03 0.00 -0.06 0.00 0.00 57.16 57.21 1lm0 n GLU 42 Cb 0.76 -1.53 0.09 0.00 -0.06 0.00 0.00 31.44 30.70 1lm0 n GLU 42 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 1lm0 n ILE 43 N -1.57 1.65 -0.00 6.31 -5.35 0.41 -4.55 119.36 116.26 1lm0 n ILE 43 Ca 0.07 -2.95 0.00 0.00 -0.27 0.00 0.00 62.75 59.60 1lm0 n ILE 43 Cb 0.35 0.05 -0.00 0.00 -1.74 0.00 0.00 39.64 38.30 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 -0.57 0.00 -3.85 7.28 0.24 -1.15 -4.30 118.33 115.99 1lm0 n VAL 44 Ca 0.21 -0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.35 1lm0 n VAL 44 Cb 0.88 -0.05 -0.16 0.00 -1.47 0.00 0.00 33.84 33.05 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 -2.38 0.17 0.00 -1.34 0.01 -1.26 -4.56 114.94 105.58 1lm0 s ASN 45 Ca -0.00 0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.16 1lm0 s ASN 45 Cb 0.00 -0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.56 1lm0 s ASN 45 CO 0.01 -0.09 0.00 0.61 -1.51 0.00 0.00 177.10 176.12 1lm0 n GLY 46 N 3.91 1.48 0.00 0.66 0.00 -1.26 -4.59 105.19 105.39 1lm0 n GLY 46 Ca -0.24 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.03 1.61 5.02 -1.26 0.04 118.16 123.54 1lm0 n LYS 47 Ca 0.00 0.25 -0.15 0.00 -2.02 0.00 0.00 58.31 56.39 1lm0 n LYS 47 Cb 0.00 -0.81 -0.11 0.00 -0.02 0.00 0.00 35.03 34.08 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 1.56 -1.01 -0.18 2.02 -1.80 0.15 112.91 113.65 1lm0 h THR 48 Ca 0.00 -1.91 0.25 0.00 0.77 0.00 0.00 66.41 65.51 1lm0 h THR 48 Cb 0.00 2.77 -0.09 0.00 -1.74 0.00 0.00 68.15 69.09 1lm0 h THR 48 CO 0.00 0.52 0.65 -0.78 0.37 0.00 0.00 175.52 176.28 1lm0 h ASP 49 N -0.54 0.49 0.00 4.18 3.58 -1.78 0.73 116.42 123.07 1lm0 h ASP 49 Ca -0.02 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1lm0 h ASP 49 Cb 0.96 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1lm0 h ASP 49 CO 0.04 0.12 -0.09 0.41 -2.88 0.00 0.00 179.24 176.84 1lm0 n THR 50 N -4.64 1.45 -3.65 2.25 -1.04 0.11 -4.84 114.28 103.92 1lm0 n THR 50 Ca 0.24 -1.73 -0.27 0.00 -2.04 0.00 0.00 64.05 60.25 1lm0 n THR 50 Cb 0.80 -0.03 -0.01 0.00 -1.82 0.00 0.00 70.33 69.27 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 -1.09 -0.47 0.13 3.41 0.00 0.25 -4.86 105.19 102.55 1lm0 n GLY 51 Ca 0.12 0.10 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.14 1.23 0.00 1.61 -1.51 0.00 -3.42 116.25 113.03 1lm0 h VAL 52 Ca -0.47 -2.51 0.00 0.00 -1.23 0.00 0.00 66.70 62.49 1lm0 h VAL 52 Cb 1.31 2.95 0.00 0.00 -2.13 0.00 0.00 31.29 33.42 1lm0 h VAL 52 CO 0.61 0.74 -0.41 0.29 -1.23 0.00 0.00 177.57 177.57 1lm0 n LYS 53 N -3.93 0.29 -1.44 5.19 4.76 -1.25 -4.99 118.16 116.78 1lm0 n LYS 53 Ca -0.20 0.31 -0.30 0.00 -2.87 0.00 0.00 58.31 55.26 1lm0 n LYS 53 Cb 0.92 -1.22 0.12 0.00 -1.84 0.00 0.00 35.03 33.01 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 -1.89 1.60 -0.11 1.97 0.04 -1.26 -5.08 135.00 130.27 1lm0 s PRO 54 Ca -0.12 0.61 0.03 0.00 0.04 0.00 0.00 61.00 61.56 1lm0 s PRO 54 Cb 0.02 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.69 1lm0 s PRO 54 CO 0.18 -1.95 -0.21 -1.21 0.04 0.00 0.00 177.00 173.84 1lm0 s GLU 55 N -5.11 3.12 -0.21 4.56 2.02 -1.26 -4.75 118.70 117.08 1lm0 s GLU 55 Ca 0.62 -0.83 -0.30 0.00 0.02 0.00 0.00 54.97 54.48 1lm0 s GLU 55 Cb -0.16 -2.40 -0.07 0.00 0.10 0.00 0.00 34.13 31.61 1lm0 s GLU 55 CO 0.55 0.16 2.17 0.00 0.02 0.00 0.00 175.26 178.16 1lm0 n ALA 56 N 3.60 1.59 0.00 5.21 0.00 -1.26 -1.74 120.51 127.92 1lm0 n ALA 56 Ca -0.19 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1lm0 n ALA 56 Cb 0.53 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 17.17 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 5.69 1.37 3.87 0.00 0.00 -1.26 -5.02 105.19 109.83 1lm0 n GLY 57 Ca 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.02 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 3.79 0.20 1.61 -0.21 -0.71 -4.81 119.66 119.53 1lm0 s GLN 58 Ca 0.00 0.66 -0.18 0.00 0.02 0.00 0.00 55.36 55.86 1lm0 s GLN 58 Cb 0.00 -2.25 -0.08 0.00 1.00 0.00 0.00 33.01 31.68 1lm0 s GLN 58 CO 0.00 -0.21 0.67 1.03 -2.12 0.00 0.00 175.29 174.66 1lm0 s ARG 59 N -4.19 4.15 0.27 2.91 0.52 -1.26 -2.64 118.95 118.71 1lm0 s ARG 59 Ca 0.54 0.73 -0.05 0.00 -0.52 0.00 0.00 55.73 56.43 1lm0 s ARG 59 Cb -0.10 -2.87 -0.01 0.00 0.52 0.00 0.00 34.95 32.48 1lm0 s ARG 59 CO 0.36 0.41 0.38 0.96 0.02 0.00 0.00 175.30 177.43 1lm0 s ILE 60 N -1.53 0.00 -0.16 1.52 -4.36 -1.17 -4.10 121.20 111.40 1lm0 s ILE 60 Ca 0.42 -1.65 0.00 0.00 -0.26 0.00 0.00 60.65 59.16 1lm0 s ILE 60 Cb -0.16 -2.44 0.03 0.00 1.25 0.00 0.00 42.46 41.14 1lm0 s ILE 60 CO 0.20 0.00 -0.13 -0.13 0.24 0.00 0.00 174.94 175.12 1lm0 s ARG 61 N -3.69 2.18 -0.24 0.37 0.52 0.37 -2.81 118.95 115.66 1lm0 s ARG 61 Ca 0.30 -0.63 -0.21 0.00 -0.52 0.00 0.00 55.73 54.68 1lm0 s ARG 61 Cb 0.01 -2.18 -0.02 0.00 0.52 0.00 0.00 34.95 33.28 1lm0 s ARG 61 CO 0.15 -0.30 0.64 0.54 0.02 0.00 0.00 175.30 176.35 1lm0 s VAL 62 N 1.47 4.99 -0.11 3.52 0.11 0.10 -0.69 120.40 129.79 1lm0 s VAL 62 Ca 0.03 1.17 0.01 0.00 -2.93 0.00 0.00 61.98 60.26 1lm0 s VAL 62 Cb -0.14 -3.95 0.02 0.00 -1.53 0.00 0.00 36.38 30.79 1lm0 s VAL 62 CO -0.10 0.05 -0.11 -0.83 -3.33 0.00 0.00 175.10 170.78 1lm0 s GLY 63 N 1.37 0.90 0.00 6.54 0.00 0.22 -0.43 107.32 115.93 1lm0 s GLY 63 Ca 0.27 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.39 1lm0 s GLY 63 CO 0.09 0.49 0.00 0.61 0.00 0.00 0.00 173.10 174.29 1lm0 n GLY 64 N 4.51 1.60 3.83 0.20 0.00 -1.22 -4.04 105.19 110.07 1lm0 n GLY 64 Ca -0.17 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 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 0.20 3.73 0.19 1.61 0.23 0.20 -3.01 119.30 122.47 1lm0 s MET 65 Ca 0.00 -0.06 -0.30 0.00 -1.03 0.00 0.00 55.69 54.30 1lm0 s MET 65 Cb 0.00 -3.26 -0.08 0.00 -1.53 0.00 0.00 34.83 29.96 1lm0 s MET 65 CO 0.00 0.62 0.97 0.08 -2.03 0.00 0.00 175.02 174.66 1lm0 s VAL 66 N -0.61 4.16 0.22 5.16 1.01 0.07 -1.03 120.40 129.38 1lm0 s VAL 66 Ca 0.15 2.00 -0.12 0.00 0.00 0.00 0.00 61.98 64.02 1lm0 s VAL 66 Cb -0.12 -4.28 -0.07 0.00 0.00 0.00 0.00 36.38 31.90 1lm0 s VAL 66 CO 0.04 0.41 0.58 -0.89 0.00 0.00 0.00 175.10 175.24 1lm0 s THR 67 N -0.71 4.87 0.06 3.92 2.01 -1.26 -2.86 115.64 121.67 1lm0 s THR 67 Ca 0.44 0.64 -0.33 0.00 0.31 0.00 0.00 61.69 62.75 1lm0 s THR 67 Cb -0.26 -3.65 -0.17 0.00 0.01 0.00 0.00 72.50 68.43 1lm0 s THR 67 CO 0.32 -0.00 1.50 1.62 -0.69 0.00 0.00 174.62 177.37 1lm0 h VAL 68 N 2.21 0.00 -0.26 3.82 3.04 -1.94 -3.30 116.25 119.81 1lm0 h VAL 68 Ca -0.47 0.00 -0.66 0.00 -1.01 0.00 0.00 66.70 64.55 1lm0 h VAL 68 Cb 1.18 0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 30.42 1lm0 h VAL 68 CO 0.68 0.00 2.58 0.61 -1.01 0.00 0.00 177.57 180.43 1lm0 n GLY 69 N -1.56 3.34 0.88 3.17 0.00 -1.26 -3.96 105.19 105.81 1lm0 n GLY 69 Ca -0.13 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 7.63 0.00 -4.67 1.61 7.64 -1.24 -4.96 113.62 119.63 1lm0 n SER 70 Ca 0.50 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.96 1lm0 n SER 70 Cb 0.42 0.09 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 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 -1.44 4.20 -0.11 1.43 1.75 -1.25 -3.55 119.30 120.33 1lm0 s MET 71 Ca 0.00 2.20 -0.00 0.00 -1.25 0.00 0.00 55.69 56.64 1lm0 s MET 71 Cb 0.00 -3.81 0.02 0.00 2.84 0.00 0.00 34.83 33.89 1lm0 s MET 71 CO 0.00 -0.77 -0.07 0.14 -0.65 0.00 0.00 175.02 173.67 1lm0 s VAL 72 N 3.37 0.95 0.05 10.11 -7.23 -0.01 -5.01 120.40 122.64 1lm0 s VAL 72 Ca 0.72 -0.24 -0.03 0.00 -1.81 0.00 0.00 61.98 60.61 1lm0 s VAL 72 Cb -0.35 -0.98 -0.05 0.00 0.56 0.00 0.00 36.38 35.56 1lm0 s VAL 72 CO 0.30 0.35 0.26 0.00 -0.31 0.00 0.00 175.10 175.70 1lm0 s ARG 73 N 1.70 3.52 0.57 4.82 3.03 -1.26 -1.18 118.95 130.14 1lm0 s ARG 73 Ca 0.04 -0.24 -0.16 0.00 2.03 0.00 0.00 55.73 57.41 1lm0 s ARG 73 Cb -0.13 -3.02 -0.05 0.00 -1.03 0.00 0.00 34.95 30.73 1lm0 s ARG 73 CO -0.07 0.60 1.03 -0.51 -1.13 0.00 0.00 175.30 175.22 1lm0 s ASP 74 N -2.18 6.07 0.57 -2.89 1.11 0.15 -4.95 116.67 114.56 1lm0 s ASP 74 Ca 0.33 1.72 0.33 0.00 0.18 0.00 0.00 52.55 55.11 1lm0 s ASP 74 Cb -0.13 -2.52 1.74 0.00 1.07 0.00 0.00 42.92 43.08 1lm0 s ASP 74 CO 0.22 -0.97 2.16 1.55 1.18 0.00 0.00 175.17 179.31 1lm0 h PRO 75 N 0.54 0.00 -1.17 8.23 0.13 -2.00 0.80 132.00 138.54 1lm0 h PRO 75 Ca -0.47 0.00 0.34 0.00 -0.87 0.00 0.00 66.00 65.00 1lm0 h PRO 75 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1lm0 h PRO 75 CO 0.59 0.05 0.90 -0.91 -0.23 0.00 0.00 178.00 178.40 1lm0 h ASN 76 N 0.00 0.00 -0.34 1.44 2.35 -1.92 -3.45 115.58 113.66 1lm0 h ASN 76 Ca -0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.60 1lm0 h ASN 76 Cb 0.24 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.55 1lm0 h ASN 76 CO 0.01 0.00 -0.13 -1.20 -1.65 0.00 0.00 177.43 174.46 1lm0 n SER 77 N -4.02 -4.54 0.00 5.81 7.64 0.27 -4.77 113.62 114.02 1lm0 n SER 77 Ca 0.25 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.31 1lm0 n SER 77 Cb 1.28 -2.66 0.00 0.00 -1.01 0.00 0.00 64.21 61.82 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 -0.81 1.79 -4.73 -3.43 -0.00 -1.26 -4.73 117.00 103.83 1lm0 n LEU 78 Ca -0.07 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.54 1lm0 n LEU 78 Cb 0.35 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.72 1lm0 n LEU 78 CO 0.11 0.28 0.44 -1.00 -0.00 0.00 0.00 177.39 177.22 1lm0 s HIS 79 N -1.76 3.66 -0.03 1.47 3.76 -1.26 -1.59 115.29 119.55 1lm0 s HIS 79 Ca 0.00 1.38 -0.01 0.00 -0.15 0.00 0.00 55.06 56.28 1lm0 s HIS 79 Cb 0.00 -2.82 0.03 0.00 1.11 0.00 0.00 32.58 30.90 1lm0 s HIS 79 CO 0.00 0.18 0.04 0.14 -0.85 0.00 0.00 174.74 174.25 1lm0 s VAL 80 N 0.38 -0.07 0.07 -0.90 -7.23 0.02 -0.67 120.40 111.99 1lm0 s VAL 80 Ca 0.39 0.26 0.05 0.00 -1.81 0.00 0.00 61.98 60.87 1lm0 s VAL 80 Cb -0.19 -0.10 -0.03 0.00 0.56 0.00 0.00 36.38 36.62 1lm0 s VAL 80 CO 0.21 0.11 -0.14 0.00 -0.31 0.00 0.00 175.10 174.96 1lm0 s GLN 81 N 1.31 0.83 -0.05 4.82 -2.07 -0.33 -0.35 119.66 123.83 1lm0 s GLN 81 Ca -0.06 -0.96 -0.07 0.00 -1.82 0.00 0.00 55.36 52.45 1lm0 s GLN 81 Cb -0.13 -0.85 0.01 0.00 -1.09 0.00 0.00 33.01 30.96 1lm0 s GLN 81 CO -0.03 0.19 0.18 -0.59 -1.32 0.00 0.00 175.29 173.72 1lm0 s PHE 82 N -1.26 -0.13 0.24 9.60 -0.12 0.05 -0.83 117.98 125.53 1lm0 s PHE 82 Ca -0.02 0.31 -0.26 0.00 -0.05 0.00 0.00 56.93 56.91 1lm0 s PHE 82 Cb -0.10 0.04 -0.09 0.00 -0.63 0.00 0.00 43.02 42.24 1lm0 s PHE 82 CO 0.02 -0.17 0.87 0.00 -0.05 0.00 0.00 175.22 175.89 1lm0 s ALA 83 N -0.40 3.34 0.12 1.99 0.00 -1.23 -0.44 121.76 125.14 1lm0 s ALA 83 Ca -0.05 0.46 0.07 0.00 0.00 0.00 0.00 51.96 52.44 1lm0 s ALA 83 Cb -0.03 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 1lm0 s ALA 83 CO 0.01 0.24 -0.16 0.54 0.00 0.00 0.00 175.76 176.39 1lm0 s VAL 84 N -1.34 1.46 0.34 0.00 0.11 -0.02 -4.25 120.40 116.70 1lm0 s VAL 84 Ca 0.43 -1.68 0.08 0.00 -2.93 0.00 0.00 61.98 57.87 1lm0 s VAL 84 Cb -0.22 -1.54 -0.03 0.00 -1.53 0.00 0.00 36.38 33.06 1lm0 s VAL 84 CO 0.27 -0.32 0.29 -1.38 -3.33 0.00 0.00 175.10 170.63 1lm0 s HIS 85 N -1.87 1.79 0.27 1.54 -3.43 -0.20 -0.92 115.29 112.48 1lm0 s HIS 85 Ca 0.09 -1.68 0.02 0.00 -0.80 0.00 0.00 55.06 52.68 1lm0 s HIS 85 Cb -0.06 -0.72 -0.05 0.00 -1.43 0.00 0.00 32.58 30.32 1lm0 s HIS 85 CO 0.04 -0.90 0.10 0.34 -2.00 0.00 0.00 174.74 172.33 1lm0 s ASP 86 N -3.39 1.35 0.41 7.38 2.15 -1.26 -0.62 116.67 122.69 1lm0 s ASP 86 Ca 0.41 -1.42 0.13 0.00 0.43 0.00 0.00 52.55 52.11 1lm0 s ASP 86 Cb 0.02 0.19 0.98 0.00 -0.30 0.00 0.00 42.92 43.81 1lm0 s ASP 86 CO 0.29 -0.75 1.93 0.28 -0.17 0.00 0.00 175.17 176.74 1lm0 h SER 87 N 2.33 0.45 -0.16 -0.34 0.02 -1.98 -1.54 113.55 112.33 1lm0 h SER 87 Ca -0.38 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.50 1lm0 h SER 87 Cb 1.25 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.67 1lm0 h SER 87 CO 0.60 0.25 0.12 0.18 -1.14 0.00 0.00 176.83 176.83 1lm0 n LEU 88 N -4.49 4.30 -1.73 5.07 4.77 -1.26 -4.83 117.00 118.83 1lm0 n LEU 88 Ca 0.14 -2.12 -0.18 0.00 -0.03 0.00 0.00 56.01 53.81 1lm0 n LEU 88 Cb 0.46 -0.74 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 1lm0 n LEU 88 CO 0.33 0.75 -0.20 0.61 -1.33 0.00 0.00 177.39 177.55 1lm0 n GLY 89 N 0.53 0.68 2.25 -0.72 0.00 -0.58 -4.76 105.19 102.60 1lm0 n GLY 89 Ca 0.10 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.89 4.02 3.59 -0.02 0.00 -1.24 -4.81 105.19 105.83 1lm0 n GLY 90 Ca -0.20 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 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 1.37 3.08 0.02 1.61 2.12 -1.26 -4.03 118.70 121.61 1lm0 s GLU 91 Ca 0.67 1.69 0.04 0.00 0.36 0.00 0.00 54.97 57.73 1lm0 s GLU 91 Cb 0.23 -4.33 -0.02 0.00 0.26 0.00 0.00 34.13 30.27 1lm0 s GLU 91 CO -0.05 -2.16 -0.13 -1.50 -0.54 0.00 0.00 175.26 170.87 1lm0 s ILE 92 N 8.21 1.03 -0.18 -3.70 -1.16 -0.10 -4.94 121.20 120.37 1lm0 s ILE 92 Ca 0.91 -0.83 -0.18 0.00 -0.51 0.00 0.00 60.65 60.04 1lm0 s ILE 92 Cb -0.27 -0.92 -0.04 0.00 0.61 0.00 0.00 42.46 41.85 1lm0 s ILE 92 CO 0.33 0.08 0.49 -0.76 -2.81 0.00 0.00 174.94 172.28 1lm0 s LEU 93 N -0.85 4.19 -0.21 8.50 1.43 -1.26 -0.84 118.68 129.63 1lm0 s LEU 93 Ca 0.02 0.70 -0.05 0.00 -1.03 0.00 0.00 54.13 53.77 1lm0 s LEU 93 Cb -0.07 -2.68 -0.02 0.00 0.03 0.00 0.00 46.19 43.45 1lm0 s LEU 93 CO 0.01 -0.12 0.00 -0.69 0.23 0.00 0.00 176.35 175.78 1lm0 s VAL 94 N 1.30 3.89 -0.14 -1.59 1.01 0.42 -2.57 120.40 122.72 1lm0 s VAL 94 Ca 0.24 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 1lm0 s VAL 94 Cb -0.15 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1lm0 s VAL 94 CO 0.10 0.41 0.09 0.42 0.00 0.00 0.00 175.10 176.12 1lm0 s THR 95 N 1.22 5.06 -0.22 3.92 -4.23 0.29 -0.77 115.64 120.91 1lm0 s THR 95 Ca 0.03 0.05 -0.01 0.00 -1.18 0.00 0.00 61.69 60.58 1lm0 s THR 95 Cb -0.15 -3.22 0.06 0.00 1.34 0.00 0.00 72.50 70.53 1lm0 s THR 95 CO 0.01 0.55 0.01 -0.47 -0.54 0.00 0.00 174.62 174.18 1lm0 s TYR 96 N -0.46 1.62 -0.48 3.99 6.14 0.52 -2.19 117.35 126.49 1lm0 s TYR 96 Ca 0.11 -1.28 -0.03 0.00 0.64 0.00 0.00 57.07 56.50 1lm0 s TYR 96 Cb -0.12 -1.30 0.13 0.00 0.42 0.00 0.00 41.96 41.09 1lm0 s TYR 96 CO 0.02 -0.70 2.54 -0.40 0.64 0.00 0.00 175.55 177.65 1lm0 n ASP 97 N 4.88 6.64 -3.59 4.32 5.75 -1.26 -0.80 116.55 132.50 1lm0 n ASP 97 Ca -0.10 -3.28 -0.03 0.00 -0.01 0.00 0.00 54.79 51.38 1lm0 n ASP 97 Cb 0.45 -1.18 -0.00 0.00 -1.03 0.00 0.00 41.12 39.37 1lm0 n ASP 97 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1lm0 s ASP 98 N 0.07 -0.10 0.04 -1.12 -1.08 -0.62 -4.81 116.67 109.05 1lm0 s ASP 98 Ca 0.54 -0.50 -0.31 0.00 -0.52 0.00 0.00 52.55 51.76 1lm0 s ASP 98 Cb 0.37 0.48 -0.06 0.00 -1.46 0.00 0.00 42.92 42.25 1lm0 s ASP 98 CO -0.20 -0.91 1.39 -0.76 0.52 0.00 0.00 175.17 175.20 1lm0 s LEU 99 N -3.12 4.34 0.50 -1.34 1.02 -1.23 -4.42 118.68 114.43 1lm0 s LEU 99 Ca 0.16 2.18 -0.20 0.00 0.02 0.00 0.00 54.13 56.28 1lm0 s LEU 99 Cb -0.01 -3.57 -0.08 0.00 0.02 0.00 0.00 46.19 42.55 1lm0 s LEU 99 CO 0.03 -0.68 1.07 -0.76 0.02 0.00 0.00 176.35 176.03 1lm0 s LEU 100 N 1.90 3.84 0.34 1.79 1.43 -1.26 -5.03 118.68 121.70 1lm0 s LEU 100 Ca 0.64 2.01 -0.28 0.00 -1.03 0.00 0.00 54.13 55.47 1lm0 s LEU 100 Cb -0.33 -4.54 -0.10 0.00 0.03 0.00 0.00 46.19 41.26 1lm0 s LEU 100 CO 0.28 -0.88 1.25 -2.16 0.23 0.00 0.00 176.35 175.07 1lm0 s PRO 101 N -3.19 4.31 -1.62 1.29 0.04 -1.26 -3.04 135.00 131.53 1lm0 s PRO 101 Ca 0.68 2.08 -0.12 0.00 0.04 0.00 0.00 61.00 63.68 1lm0 s PRO 101 Cb -0.19 -2.99 0.11 0.00 0.04 0.00 0.00 34.50 31.46 1lm0 s PRO 101 CO 0.23 -0.18 0.58 -0.25 0.04 0.00 0.00 177.00 177.42 1lm0 n ASP 102 N 0.67 -1.90 -0.79 6.66 8.00 -1.26 -0.11 116.55 127.82 1lm0 n ASP 102 Ca 0.01 -1.06 -0.05 0.00 0.71 0.00 0.00 54.79 54.40 1lm0 n ASP 102 Cb 0.43 -2.61 -0.02 0.00 -0.02 0.00 0.00 41.12 38.90 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 -4.39 -0.24 -2.52 0.64 -0.00 -1.17 -2.94 117.00 106.39 1lm0 n LEU 103 Ca -0.07 0.13 -0.04 0.00 -0.00 0.00 0.00 56.01 56.03 1lm0 n LEU 103 Cb 0.56 -1.36 -0.03 0.00 -0.00 0.00 0.00 43.42 42.59 1lm0 n LEU 103 CO 0.84 -0.41 -0.61 0.33 -0.00 0.00 0.00 177.39 177.54 1lm0 n PHE 104 N -1.26 -4.61 -2.60 1.47 -0.00 0.84 -4.87 117.46 106.43 1lm0 n PHE 104 Ca -0.05 2.71 -0.43 0.00 -0.00 0.00 0.00 57.45 59.68 1lm0 n PHE 104 Cb 0.24 -3.88 -0.02 0.00 -0.00 0.00 0.00 39.48 35.82 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 -0.63 4.25 0.65 -4.13 0.52 -1.15 -5.02 118.95 113.43 1lm0 s ARG 105 Ca -0.18 1.43 -0.08 0.00 -0.52 0.00 0.00 55.73 56.38 1lm0 s ARG 105 Cb 0.01 -3.68 0.02 0.00 0.52 0.00 0.00 34.95 31.82 1lm0 s ARG 105 CO 0.50 -0.66 0.99 -1.21 0.02 0.00 0.00 175.30 174.94 1lm0 s GLU 106 N 3.29 2.83 -0.49 3.54 8.01 -1.26 -4.45 118.70 130.16 1lm0 s GLU 106 Ca 0.47 0.16 0.00 0.00 0.01 0.00 0.00 54.97 55.61 1lm0 s GLU 106 Cb -0.17 -2.16 0.00 0.00 -4.31 0.00 0.00 34.13 27.49 1lm0 s GLU 106 CO 0.08 -0.88 0.00 0.41 0.01 0.00 0.00 175.26 174.88 1lm0 n GLY 107 N -2.78 0.44 3.32 -1.39 0.00 -1.14 -4.87 105.19 98.77 1lm0 n GLY 107 Ca 0.06 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.42 1.34 -0.06 1.61 -2.07 -1.23 -4.92 119.66 110.90 1lm0 s GLN 108 Ca 0.00 -1.54 -0.25 0.00 -1.82 0.00 0.00 55.36 51.75 1lm0 s GLN 108 Cb 0.00 0.33 -0.03 0.00 -1.09 0.00 0.00 33.01 32.22 1lm0 s GLN 108 CO 0.00 -0.48 0.78 0.20 -1.32 0.00 0.00 175.29 174.46 1lm0 s GLY 109 N -3.13 2.63 0.06 2.60 0.00 -1.26 -0.75 107.32 107.46 1lm0 s GLY 109 Ca 0.34 0.21 0.02 0.00 0.00 0.00 0.00 44.72 45.29 1lm0 s GLY 109 CO 0.12 1.34 -0.07 -0.26 0.00 0.00 0.00 173.10 174.23 1lm0 s ILE 110 N 0.99 0.56 -0.15 0.90 -5.25 -1.16 -3.52 121.20 113.57 1lm0 s ILE 110 Ca 0.41 -1.31 0.00 0.00 -0.99 0.00 0.00 60.65 58.76 1lm0 s ILE 110 Cb -0.18 -0.89 -0.00 0.00 2.95 0.00 0.00 42.46 44.33 1lm0 s ILE 110 CO 0.20 -0.53 -0.15 0.68 -1.79 0.00 0.00 174.94 173.35 1lm0 s VAL 111 N -2.01 2.72 -0.08 8.37 -7.23 -0.14 -3.39 120.40 118.63 1lm0 s VAL 111 Ca -0.04 -0.75 0.03 0.00 -1.81 0.00 0.00 61.98 59.41 1lm0 s VAL 111 Cb -0.06 -2.15 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 1lm0 s VAL 111 CO -0.01 0.51 -0.18 0.00 -0.31 0.00 0.00 175.10 175.11 1lm0 s ALA 112 N 0.79 2.45 0.02 1.32 0.00 0.43 -0.51 121.76 126.27 1lm0 s ALA 112 Ca -0.05 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 51.00 1lm0 s ALA 112 Cb -0.15 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 1lm0 s ALA 112 CO 0.00 0.39 -0.18 -1.14 0.00 0.00 0.00 175.76 174.83 1lm0 s GLN 113 N -0.11 1.32 0.00 0.00 0.74 0.93 0.02 119.66 122.57 1lm0 s GLN 113 Ca -0.03 -0.80 0.00 0.00 0.05 0.00 0.00 55.36 54.58 1lm0 s GLN 113 Cb -0.14 -1.36 0.00 0.00 1.10 0.00 0.00 33.01 32.61 1lm0 s GLN 113 CO 0.04 0.36 0.00 0.41 -0.55 0.00 0.00 175.29 175.54 1lm0 n GLY 114 N 2.14 -0.27 3.00 2.59 0.00 -1.12 -0.45 105.19 111.08 1lm0 n GLY 114 Ca -0.16 0.43 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 0.18 0.23 1.61 0.11 0.19 -3.04 120.40 119.68 1lm0 s VAL 115 Ca 0.00 -1.02 -0.32 0.00 -2.93 0.00 0.00 61.98 57.71 1lm0 s VAL 115 Cb 0.00 -0.43 -0.13 0.00 -1.53 0.00 0.00 36.38 34.29 1lm0 s VAL 115 CO 0.00 -0.53 1.47 0.18 -3.33 0.00 0.00 175.10 172.89 1lm0 n LEU 116 N 1.44 3.29 0.00 2.54 7.99 -1.08 -0.66 117.00 130.51 1lm0 n LEU 116 Ca -0.23 1.13 0.00 0.00 -0.01 0.00 0.00 56.01 56.90 1lm0 n LEU 116 Cb 0.56 -1.45 0.00 0.00 -0.11 0.00 0.00 43.42 42.41 1lm0 n LEU 116 CO 0.21 -0.35 0.00 0.61 -1.51 0.00 0.00 177.39 176.34 1lm0 n GLY 117 N 2.43 0.94 3.47 -0.72 0.00 0.88 -4.33 105.19 107.85 1lm0 n GLY 117 Ca 0.12 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 1lm0 n GLY 117 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1lm0 n GLU 118 N 0.00 2.23 -3.44 1.61 2.13 -1.25 -4.59 120.64 117.33 1lm0 n GLU 118 Ca 0.00 -2.70 0.00 0.00 0.66 0.00 0.00 57.16 55.12 1lm0 n GLU 118 Cb 0.00 -3.53 0.00 0.00 0.27 0.00 0.00 31.44 28.18 1lm0 n GLU 118 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1lm0 n ASP 119 N 11.01 0.00 0.00 4.31 2.03 -1.26 -3.30 116.55 129.33 1lm0 n ASP 119 Ca 0.47 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.78 1lm0 n ASP 119 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 1lm0 n ASP 119 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lm0 n GLY 120 N -0.84 0.10 3.90 0.27 0.00 -1.26 -4.63 105.19 102.73 1lm0 n GLY 120 Ca 0.00 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 3.66 -0.19 1.61 3.01 -1.21 -4.81 119.74 121.82 1lm0 s LYS 121 Ca 0.00 0.08 -0.03 0.00 -1.01 0.00 0.00 55.97 55.00 1lm0 s LYS 121 Cb 0.00 -2.63 -0.01 0.00 -1.01 0.00 0.00 37.83 34.18 1lm0 s LYS 121 CO 0.00 0.21 -0.05 -0.51 0.51 0.00 0.00 175.35 175.50 1lm0 s LEU 122 N -3.48 2.96 -0.75 3.17 2.01 -1.06 -0.09 118.68 121.44 1lm0 s LEU 122 Ca 0.45 -0.32 -0.16 0.00 0.01 0.00 0.00 54.13 54.11 1lm0 s LEU 122 Cb -0.11 -1.73 0.17 0.00 0.01 0.00 0.00 46.19 44.53 1lm0 s LEU 122 CO 0.29 0.05 0.77 0.00 1.01 0.00 0.00 176.35 178.47 1lm0 s ALA 123 N 1.05 3.76 -0.10 4.21 0.00 0.17 -0.55 121.76 130.31 1lm0 s ALA 123 Ca 0.01 -2.89 -0.02 0.00 0.00 0.00 0.00 51.96 49.06 1lm0 s ALA 123 Cb -0.15 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 1lm0 s ALA 123 CO -0.00 -2.37 -0.03 0.00 0.00 0.00 0.00 175.76 173.36 1lm0 s ALA 124 N 1.30 3.11 0.00 0.00 0.00 -0.93 -0.64 121.76 124.61 1lm0 s ALA 124 Ca 0.17 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1lm0 s ALA 124 Cb -0.15 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1lm0 s ALA 124 CO -0.04 0.46 0.00 -2.37 0.00 0.00 0.00 175.76 173.81 1lm0 n THR 125 N 2.61 0.00 -2.93 0.00 5.66 0.41 -4.20 114.28 115.83 1lm0 n THR 125 Ca -0.18 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.38 1lm0 n THR 125 Cb 0.53 -0.39 -0.02 0.00 -1.55 0.00 0.00 70.33 68.90 1lm0 n THR 125 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1lm0 s GLU 126 N -1.69 3.68 -0.23 1.09 0.41 0.06 -4.92 118.70 117.10 1lm0 s GLU 126 Ca 0.00 -1.90 -0.11 0.00 -0.41 0.00 0.00 54.97 52.55 1lm0 s GLU 126 Cb 0.00 -4.95 -0.05 0.00 -1.78 0.00 0.00 34.13 27.36 1lm0 s GLU 126 CO 0.00 -1.77 0.18 0.14 -0.49 0.00 0.00 175.26 173.32 1lm0 s VAL 127 N 2.51 5.35 -0.24 2.63 -7.23 -1.26 -0.05 120.40 122.11 1lm0 s VAL 127 Ca 0.34 0.24 0.02 0.00 -1.81 0.00 0.00 61.98 60.77 1lm0 s VAL 127 Cb -0.04 -3.52 0.05 0.00 0.56 0.00 0.00 36.38 33.42 1lm0 s VAL 127 CO -0.08 0.35 -0.12 -0.76 -0.31 0.00 0.00 175.10 174.18 1lm0 s LEU 128 N 0.97 3.12 -0.68 1.32 2.01 0.34 -4.98 118.68 120.79 1lm0 s LEU 128 Ca 0.09 -1.14 -0.27 0.00 0.01 0.00 0.00 54.13 52.82 1lm0 s LEU 128 Cb -0.13 -1.56 0.04 0.00 0.01 0.00 0.00 46.19 44.54 1lm0 s LEU 128 CO 0.04 -0.14 1.20 0.00 1.01 0.00 0.00 176.35 178.46 1lm0 s ALA 129 N 1.19 2.88 -0.40 4.21 0.00 -1.26 -0.97 121.76 127.41 1lm0 s ALA 129 Ca -0.04 -1.29 0.09 0.00 0.00 0.00 0.00 51.96 50.72 1lm0 s ALA 129 Cb -0.18 -4.12 0.29 0.00 0.00 0.00 0.00 23.12 19.11 1lm0 s ALA 129 CO -0.07 -3.02 0.67 0.36 0.00 0.00 0.00 175.76 173.70 1lm0 n LYS 130 N 8.83 0.83 -1.85 0.00 2.85 -1.25 -5.02 118.16 122.54 1lm0 n LYS 130 Ca 0.03 -3.05 -0.02 0.00 -1.05 0.00 0.00 58.31 54.22 1lm0 n LYS 130 Cb 0.48 -1.40 -0.00 0.00 -0.65 0.00 0.00 35.03 33.47 1lm0 n LYS 130 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1lm0 n HIS 131 N 0.97 -0.78 -0.34 5.58 -0.00 -1.23 -4.93 115.22 114.48 1lm0 n HIS 131 Ca 0.20 -0.39 0.00 0.00 0.46 0.00 0.00 57.72 57.99 1lm0 n HIS 131 Cb 0.60 0.11 0.00 0.00 -0.12 0.00 0.00 29.99 30.58 1lm0 n HIS 131 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33