#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 -5.41 0.00 6.43 5.15 -1.26 -5.03 115.26 115.15 1lm0 n ASN 33 Ca 0.00 -0.89 0.00 0.00 -0.60 0.00 0.00 54.58 53.09 1lm0 n ASN 33 Cb 0.00 -4.12 0.00 0.00 -0.53 0.00 0.00 39.78 35.13 1lm0 n ASN 33 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1lm0 n LEU 34 N -3.85 0.00 -4.56 1.20 4.32 -1.26 -4.96 117.00 107.90 1lm0 n LEU 34 Ca -0.10 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.56 1lm0 n LEU 34 Cb 0.61 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.37 1lm0 n LEU 34 CO 0.64 0.00 1.46 0.20 -1.22 0.00 0.00 177.39 178.48 1lm0 s ASN 35 N -0.26 5.25 0.23 -1.43 0.01 -1.26 -4.88 114.94 112.59 1lm0 s ASN 35 Ca 0.00 -0.22 0.05 0.00 -0.71 0.00 0.00 52.86 51.98 1lm0 s ASN 35 Cb 0.00 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 39.06 1lm0 s ASN 35 CO 0.00 -2.53 -0.05 -1.48 -1.51 0.00 0.00 177.10 171.53 1lm0 s LEU 36 N 9.44 2.36 0.03 0.60 2.34 -1.26 -4.88 118.68 127.30 1lm0 s LEU 36 Ca 0.68 -1.16 -0.28 0.00 0.06 0.00 0.00 54.13 53.43 1lm0 s LEU 36 Cb -0.09 -0.41 -0.04 0.00 -0.56 0.00 0.00 46.19 45.08 1lm0 s LEU 36 CO 0.09 -0.41 0.89 -0.36 -1.06 0.00 0.00 176.35 175.50 1lm0 s PHE 37 N -3.26 3.70 0.09 3.48 0.40 -1.26 -0.47 117.98 120.66 1lm0 s PHE 37 Ca 0.26 1.60 0.05 0.00 -0.60 0.00 0.00 56.93 58.24 1lm0 s PHE 37 Cb 0.04 -2.99 -0.03 0.00 0.51 0.00 0.00 43.02 40.55 1lm0 s PHE 37 CO 0.08 0.12 -0.12 0.71 0.70 0.00 0.00 175.22 176.70 1lm0 s TYR 38 N 0.51 1.16 0.05 0.36 2.02 0.83 -4.91 117.35 117.37 1lm0 s TYR 38 Ca 0.46 -0.55 -0.11 0.00 -0.37 0.00 0.00 57.07 56.50 1lm0 s TYR 38 Cb -0.21 -0.64 -0.06 0.00 -0.40 0.00 0.00 41.96 40.66 1lm0 s TYR 38 CO 0.26 0.05 0.39 0.95 -1.57 0.00 0.00 175.55 175.63 1lm0 s THR 39 N -1.89 5.09 0.28 -0.71 -4.23 -1.26 -0.81 115.64 112.12 1lm0 s THR 39 Ca 0.02 0.53 0.35 0.00 -1.18 0.00 0.00 61.69 61.42 1lm0 s THR 39 Cb -0.06 -3.65 0.36 0.00 1.34 0.00 0.00 72.50 70.49 1lm0 s THR 39 CO 0.02 0.37 2.08 1.55 -0.54 0.00 0.00 174.62 178.10 1lm0 h PRO 40 N 3.99 0.00 -0.99 3.99 0.13 -1.76 0.34 132.00 137.71 1lm0 h PRO 40 Ca -0.50 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 64.89 1lm0 h PRO 40 Cb 1.20 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 1lm0 h PRO 40 CO 0.65 0.00 0.55 0.66 -0.23 0.00 0.00 178.00 179.63 1lm0 h SER 41 N 0.00 0.58 0.00 1.44 4.64 -1.80 -3.08 113.55 115.33 1lm0 h SER 41 Ca 0.00 0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 61.42 1lm0 h SER 41 Cb 0.07 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1lm0 h SER 41 CO 0.00 0.03 -0.34 -0.08 -0.87 0.00 0.00 176.83 175.57 1lm0 h GLU 42 N 0.49 0.00 -1.08 4.77 4.57 -1.27 -3.38 114.58 118.68 1lm0 h GLU 42 Ca 0.65 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.80 1lm0 h GLU 42 Cb 1.31 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.88 1lm0 h GLU 42 CO -0.52 0.75 0.04 0.44 -1.18 0.00 0.00 179.01 178.54 1lm0 n ILE 43 N -4.60 1.20 0.00 2.32 -5.35 -1.17 -2.83 119.36 108.94 1lm0 n ILE 43 Ca -0.13 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 1lm0 n ILE 43 Cb 0.43 -1.01 0.00 0.00 -1.74 0.00 0.00 39.64 37.32 1lm0 n ILE 43 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 1lm0 n VAL 44 N 0.49 0.00 0.06 7.28 3.14 -1.20 -3.83 118.33 124.26 1lm0 n VAL 44 Ca 0.03 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.21 1lm0 n VAL 44 Cb 0.56 -0.88 -0.12 0.00 -1.06 0.00 0.00 33.84 32.33 1lm0 n VAL 44 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 1lm0 h ASN 45 N 0.00 0.76 0.00 6.55 2.35 -1.69 -3.42 115.58 120.13 1lm0 h ASN 45 Ca 0.00 -0.81 -0.13 0.00 -0.55 0.00 0.00 56.30 54.82 1lm0 h ASN 45 Cb 0.86 -0.24 -0.11 0.00 0.05 0.00 0.00 38.32 38.88 1lm0 h ASN 45 CO 0.00 1.48 -0.01 0.61 -1.65 0.00 0.00 177.43 177.86 1lm0 n GLY 46 N 1.28 -1.10 0.00 2.83 0.00 -1.26 -4.89 105.19 102.05 1lm0 n GLY 46 Ca -0.12 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 0.42 0.00 0.15 1.61 5.02 -1.26 -4.16 118.16 119.95 1lm0 n LYS 47 Ca -0.04 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.15 1lm0 n LYS 47 Cb 0.75 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.71 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 0.24 -0.53 -0.18 2.02 -1.84 0.57 112.91 113.18 1lm0 h THR 48 Ca 0.00 -0.73 0.10 0.00 0.77 0.00 0.00 66.41 66.55 1lm0 h THR 48 Cb 0.00 0.39 -0.11 0.00 -1.74 0.00 0.00 68.15 66.70 1lm0 h THR 48 CO 0.00 0.06 -0.31 -0.78 0.37 0.00 0.00 175.52 174.86 1lm0 h ASP 49 N -1.06 -1.06 1.26 4.18 3.58 -1.80 -2.58 116.42 118.94 1lm0 h ASP 49 Ca -0.05 0.21 -0.09 0.00 0.42 0.00 0.00 57.03 57.52 1lm0 h ASP 49 Cb 0.45 0.53 -0.01 0.00 1.72 0.00 0.00 39.33 42.01 1lm0 h ASP 49 CO 0.08 -0.30 -0.77 0.74 -2.88 0.00 0.00 179.24 176.11 1lm0 h THR 50 N -0.17 0.51 -5.14 2.25 2.02 -1.82 -3.41 112.91 107.14 1lm0 h THR 50 Ca 0.22 -1.80 -0.26 0.00 0.77 0.00 0.00 66.41 65.34 1lm0 h THR 50 Cb 0.54 2.11 0.16 0.00 -1.74 0.00 0.00 68.15 69.21 1lm0 h THR 50 CO -0.63 0.29 -0.69 0.61 0.37 0.00 0.00 175.52 175.47 1lm0 n GLY 51 N 1.25 -0.47 0.33 2.16 0.00 0.20 -4.93 105.19 103.72 1lm0 n GLY 51 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1lm0 n GLY 51 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1lm0 n VAL 52 N -3.46 0.00 0.28 1.61 0.24 -1.04 -4.91 118.33 111.04 1lm0 n VAL 52 Ca -0.19 0.16 -0.15 0.00 -2.04 0.00 0.00 64.34 62.12 1lm0 n VAL 52 Cb 0.63 -1.07 -0.08 0.00 -1.47 0.00 0.00 33.84 31.85 1lm0 n VAL 52 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1lm0 h LYS 53 N 0.00 -0.68 -6.91 7.34 1.79 -1.80 -3.44 116.57 112.87 1lm0 h LYS 53 Ca 0.00 0.05 -0.49 0.00 -2.18 0.00 0.00 60.65 58.02 1lm0 h LYS 53 Cb 0.00 0.15 0.03 0.00 -1.58 0.00 0.00 32.23 30.83 1lm0 h LYS 53 CO 0.00 -0.38 0.11 -1.25 -1.08 0.00 0.00 179.45 176.85 1lm0 s PRO 54 N -5.11 3.57 0.07 3.15 0.04 -1.26 -5.10 135.00 130.36 1lm0 s PRO 54 Ca -0.15 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.12 1lm0 s PRO 54 Cb 0.02 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1lm0 s PRO 54 CO 0.53 -0.18 0.22 -1.21 0.04 0.00 0.00 177.00 176.41 1lm0 s GLU 55 N -4.60 3.42 0.87 4.56 2.02 -1.26 -4.79 118.70 118.91 1lm0 s GLU 55 Ca 0.48 -0.47 -0.12 0.00 0.02 0.00 0.00 54.97 54.88 1lm0 s GLU 55 Cb -0.10 -3.02 0.11 0.00 0.10 0.00 0.00 34.13 31.22 1lm0 s GLU 55 CO 0.43 0.59 1.13 0.00 0.02 0.00 0.00 175.26 177.43 1lm0 n ALA 56 N 0.17 -0.54 -0.92 5.21 0.00 -1.26 -3.17 120.51 120.00 1lm0 n ALA 56 Ca -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1lm0 n ALA 56 Cb 0.51 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 0.48 0.92 3.87 0.00 0.00 -0.71 -4.95 105.19 104.80 1lm0 n GLY 57 Ca 0.12 0.00 -0.31 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 -0.12 3.65 -0.03 1.61 -0.21 -1.19 -4.72 119.66 118.65 1lm0 s GLN 58 Ca 0.00 0.68 -0.16 0.00 0.02 0.00 0.00 55.36 55.91 1lm0 s GLN 58 Cb 0.00 -2.15 -0.05 0.00 1.00 0.00 0.00 33.01 31.81 1lm0 s GLN 58 CO 0.00 -0.45 0.43 1.03 -2.12 0.00 0.00 175.29 174.18 1lm0 s ARG 59 N -4.89 4.05 0.29 2.91 0.52 -1.26 -1.20 118.95 119.36 1lm0 s ARG 59 Ca 0.54 0.43 -0.02 0.00 -0.52 0.00 0.00 55.73 56.17 1lm0 s ARG 59 Cb -0.11 -3.28 -0.02 0.00 0.52 0.00 0.00 34.95 32.06 1lm0 s ARG 59 CO 0.48 0.54 0.34 0.96 0.02 0.00 0.00 175.30 177.65 1lm0 s ILE 60 N -0.62 0.00 -0.14 1.52 -4.36 -0.17 -4.52 121.20 112.91 1lm0 s ILE 60 Ca 0.24 -1.76 0.02 0.00 -0.26 0.00 0.00 60.65 58.89 1lm0 s ILE 60 Cb -0.16 -2.50 0.01 0.00 1.25 0.00 0.00 42.46 41.06 1lm0 s ILE 60 CO 0.13 0.00 -0.19 -0.13 0.24 0.00 0.00 174.94 174.98 1lm0 s ARG 61 N -3.59 2.76 -0.06 0.37 0.52 0.38 -1.25 118.95 118.08 1lm0 s ARG 61 Ca 0.34 -0.75 -0.27 0.00 -0.52 0.00 0.00 55.73 54.52 1lm0 s ARG 61 Cb 0.02 -2.28 -0.03 0.00 0.52 0.00 0.00 34.95 33.18 1lm0 s ARG 61 CO 0.18 -0.06 0.88 0.54 0.02 0.00 0.00 175.30 176.86 1lm0 s VAL 62 N 0.95 4.91 -0.07 3.52 0.11 0.63 -0.12 120.40 130.34 1lm0 s VAL 62 Ca -0.05 1.81 0.02 0.00 -2.93 0.00 0.00 61.98 60.84 1lm0 s VAL 62 Cb -0.15 -4.21 0.01 0.00 -1.53 0.00 0.00 36.38 30.50 1lm0 s VAL 62 CO -0.04 0.15 -0.13 -0.83 -3.33 0.00 0.00 175.10 170.93 1lm0 s GLY 63 N 0.98 0.83 0.00 6.54 0.00 0.01 -0.43 107.32 115.24 1lm0 s GLY 63 Ca 0.45 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.71 1lm0 s GLY 63 CO 0.22 0.14 0.00 0.61 0.00 0.00 0.00 173.10 174.07 1lm0 n GLY 64 N 3.88 -0.75 3.33 0.20 0.00 -1.17 -4.11 105.19 106.56 1lm0 n GLY 64 Ca -0.22 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.31 1.27 -0.18 1.61 0.23 0.34 -2.56 119.30 119.70 1lm0 s MET 65 Ca 0.00 -1.42 -0.09 0.00 -1.03 0.00 0.00 55.69 53.15 1lm0 s MET 65 Cb 0.00 -1.30 -0.05 0.00 -1.53 0.00 0.00 34.83 31.95 1lm0 s MET 65 CO 0.00 0.26 0.11 0.54 -2.03 0.00 0.00 175.02 173.90 1lm0 s VAL 66 N -2.13 5.26 0.85 5.16 0.11 -0.05 -1.26 120.40 128.35 1lm0 s VAL 66 Ca 0.16 0.13 -0.11 0.00 -2.93 0.00 0.00 61.98 59.24 1lm0 s VAL 66 Cb -0.05 -3.38 0.10 0.00 -1.53 0.00 0.00 36.38 31.53 1lm0 s VAL 66 CO 0.07 0.48 1.13 -0.89 -3.33 0.00 0.00 175.10 172.55 1lm0 s THR 67 N 0.12 2.55 0.28 5.04 2.01 -1.26 -2.71 115.64 121.68 1lm0 s THR 67 Ca 0.08 0.19 0.03 0.00 0.31 0.00 0.00 61.69 62.30 1lm0 s THR 67 Cb -0.11 -2.42 0.06 0.00 0.01 0.00 0.00 72.50 70.04 1lm0 s THR 67 CO -0.01 -0.23 1.72 1.62 -0.69 0.00 0.00 174.62 177.03 1lm0 h VAL 68 N -1.47 1.27 -3.17 3.82 3.04 -1.96 -3.31 116.25 114.46 1lm0 h VAL 68 Ca -0.44 -1.30 -0.63 0.00 -1.01 0.00 0.00 66.70 63.33 1lm0 h VAL 68 Cb 1.26 1.40 -0.41 0.00 -2.01 0.00 0.00 31.29 31.52 1lm0 h VAL 68 CO 0.46 0.41 -0.61 -0.83 -1.01 0.00 0.00 177.57 175.99 1lm0 s GLY 69 N -4.04 2.68 0.00 3.17 0.00 -1.26 -4.73 107.32 103.13 1lm0 s GLY 69 Ca -0.07 -3.56 0.00 0.00 0.00 0.00 0.00 44.72 41.09 1lm0 s GLY 69 CO 0.79 1.10 0.00 1.44 0.00 0.00 0.00 173.10 176.43 1lm0 n SER 70 N 2.45 0.00 -4.60 1.64 7.64 -1.25 -5.03 113.62 114.47 1lm0 n SER 70 Ca 0.14 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.59 1lm0 n SER 70 Cb 0.34 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.52 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 -1.40 3.31 -0.25 1.43 1.75 -1.26 -4.12 119.30 118.76 1lm0 s MET 71 Ca 0.00 1.49 -0.04 0.00 -1.25 0.00 0.00 55.69 55.89 1lm0 s MET 71 Cb 0.00 -4.22 0.00 0.00 2.84 0.00 0.00 34.83 33.46 1lm0 s MET 71 CO 0.00 -1.89 -0.00 0.14 -0.65 0.00 0.00 175.02 172.62 1lm0 s VAL 72 N 7.05 3.48 -0.07 10.11 -7.23 -0.04 -5.00 120.40 128.71 1lm0 s VAL 72 Ca 0.82 -0.67 -0.00 0.00 -1.81 0.00 0.00 61.98 60.32 1lm0 s VAL 72 Cb -0.23 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 33.98 1lm0 s VAL 72 CO 0.34 0.26 -0.04 0.00 -0.31 0.00 0.00 175.10 175.35 1lm0 s ARG 73 N 1.45 2.84 0.38 4.82 3.03 -1.26 -0.81 118.95 129.40 1lm0 s ARG 73 Ca 0.03 -0.49 -0.19 0.00 2.03 0.00 0.00 55.73 57.11 1lm0 s ARG 73 Cb -0.16 -2.67 -0.10 0.00 -1.03 0.00 0.00 34.95 30.99 1lm0 s ARG 73 CO -0.01 0.68 0.87 -0.51 -1.13 0.00 0.00 175.30 175.20 1lm0 s ASP 74 N -0.85 6.92 0.58 -2.89 1.11 0.09 -4.94 116.67 116.69 1lm0 s ASP 74 Ca 0.13 1.56 0.36 0.00 0.18 0.00 0.00 52.55 54.78 1lm0 s ASP 74 Cb -0.11 -2.48 1.72 0.00 1.07 0.00 0.00 42.92 43.11 1lm0 s ASP 74 CO 0.02 -0.27 2.12 1.55 1.18 0.00 0.00 175.17 179.77 1lm0 h PRO 75 N 2.19 0.00 -0.97 8.23 0.13 -2.00 -0.05 132.00 139.52 1lm0 h PRO 75 Ca -0.48 0.00 0.32 0.00 -0.87 0.00 0.00 66.00 64.97 1lm0 h PRO 75 Cb 1.18 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.14 1lm0 h PRO 75 CO 0.63 0.03 0.29 -0.91 -0.23 0.00 0.00 178.00 177.80 1lm0 h ASN 76 N 0.00 -0.03 0.00 1.44 2.35 -1.92 -3.45 115.58 113.96 1lm0 h ASN 76 Ca -0.00 0.25 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1lm0 h ASN 76 Cb 0.33 0.34 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1lm0 h ASN 76 CO 0.00 -0.33 0.00 -1.20 -1.65 0.00 0.00 177.43 174.25 1lm0 n SER 77 N -5.33 -1.67 -0.10 5.81 7.64 -0.03 -4.79 113.62 115.15 1lm0 n SER 77 Ca 0.29 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.24 1lm0 n SER 77 Cb 0.95 -1.09 0.11 0.00 -1.01 0.00 0.00 64.21 63.16 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 2.04 -3.64 -3.43 -0.00 -1.26 -3.84 117.00 106.88 1lm0 n LEU 78 Ca 0.00 -2.69 -0.10 0.00 -0.00 0.00 0.00 56.01 53.22 1lm0 n LEU 78 Cb 0.07 -0.32 -0.10 0.00 -0.00 0.00 0.00 43.42 43.06 1lm0 n LEU 78 CO 0.00 0.63 -0.02 -1.00 -0.00 0.00 0.00 177.39 177.00 1lm0 s HIS 79 N -2.30 -0.71 -0.12 1.47 3.76 -1.26 -4.07 115.29 112.06 1lm0 s HIS 79 Ca 0.24 1.34 -0.09 0.00 -0.15 0.00 0.00 55.06 56.39 1lm0 s HIS 79 Cb 0.21 0.20 0.04 0.00 1.11 0.00 0.00 32.58 34.14 1lm0 s HIS 79 CO 0.02 -0.47 0.31 0.14 -0.85 0.00 0.00 174.74 173.89 1lm0 s VAL 80 N 2.56 -0.01 0.04 -0.90 -7.23 0.27 -0.73 120.40 114.39 1lm0 s VAL 80 Ca 0.00 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.23 1lm0 s VAL 80 Cb -0.12 -0.45 -0.03 0.00 0.56 0.00 0.00 36.38 36.34 1lm0 s VAL 80 CO -0.12 0.02 -0.04 0.00 -0.31 0.00 0.00 175.10 174.65 1lm0 s GLN 81 N 0.63 0.45 0.02 4.82 -2.07 0.01 -0.16 119.66 123.36 1lm0 s GLN 81 Ca -0.04 -0.79 -0.13 0.00 -1.82 0.00 0.00 55.36 52.57 1lm0 s GLN 81 Cb -0.05 0.01 0.02 0.00 -1.09 0.00 0.00 33.01 31.90 1lm0 s GLN 81 CO -0.04 -0.03 0.29 -0.59 -1.32 0.00 0.00 175.29 173.60 1lm0 s PHE 82 N -2.00 -0.11 0.20 9.60 -0.12 -0.12 -0.86 117.98 124.59 1lm0 s PHE 82 Ca -0.09 0.04 -0.13 0.00 -0.05 0.00 0.00 56.93 56.70 1lm0 s PHE 82 Cb -0.06 0.08 -0.07 0.00 -0.63 0.00 0.00 43.02 42.33 1lm0 s PHE 82 CO -0.02 -0.45 0.59 0.00 -0.05 0.00 0.00 175.22 175.28 1lm0 s ALA 83 N -2.11 3.53 0.06 1.99 0.00 -1.26 -0.91 121.76 123.07 1lm0 s ALA 83 Ca -0.08 -0.14 0.08 0.00 0.00 0.00 0.00 51.96 51.82 1lm0 s ALA 83 Cb -0.02 -2.54 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 1lm0 s ALA 83 CO -0.01 0.45 -0.21 0.08 0.00 0.00 0.00 175.76 176.07 1lm0 s VAL 84 N -1.66 1.71 0.00 0.00 1.01 0.25 -4.44 120.40 117.27 1lm0 s VAL 84 Ca 0.44 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1lm0 s VAL 84 Cb -0.13 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1lm0 s VAL 84 CO 0.20 0.12 0.00 0.00 0.00 0.00 0.00 175.10 175.42 1lm0 n HIS 85 N 1.58 -0.38 -4.03 5.22 1.44 -0.39 -0.36 115.22 118.30 1lm0 n HIS 85 Ca -0.18 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.40 1lm0 n HIS 85 Cb 0.53 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.61 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 -0.25 0.65 -0.25 4.39 -1.08 -1.11 -0.51 116.67 118.52 1lm0 s ASP 86 Ca 0.00 -1.37 -0.41 0.00 -0.52 0.00 0.00 52.55 50.25 1lm0 s ASP 86 Cb 0.00 0.69 -0.17 0.00 -1.46 0.00 0.00 42.92 41.98 1lm0 s ASP 86 CO 0.00 -1.36 1.59 -0.24 0.52 0.00 0.00 175.17 175.68 1lm0 n SER 87 N -1.31 1.81 0.00 -0.34 2.88 -1.26 -1.09 113.62 114.30 1lm0 n SER 87 Ca -0.01 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1lm0 n SER 87 Cb 0.61 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 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 4.28 0.00 -2.36 2.46 7.99 -1.26 -4.81 117.00 123.30 1lm0 n LEU 88 Ca 0.26 0.00 -0.21 0.00 -0.01 0.00 0.00 56.01 56.04 1lm0 n LEU 88 Cb 0.09 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.30 1lm0 n LEU 88 CO 0.78 0.00 1.76 0.61 -1.51 0.00 0.00 177.39 179.04 1lm0 n GLY 89 N 0.00 3.74 7.00 -0.72 0.00 -0.25 -4.67 105.19 110.29 1lm0 n GLY 89 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 1.88 2.41 3.56 -0.02 0.00 -1.26 -2.74 105.19 109.02 1lm0 n GLY 90 Ca 0.49 0.24 -0.07 0.00 0.00 0.00 0.00 46.02 46.68 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 0.00 0.54 0.14 1.61 2.12 -1.26 -4.35 118.70 117.50 1lm0 s GLU 91 Ca 0.00 -0.10 -0.13 0.00 0.36 0.00 0.00 54.97 55.10 1lm0 s GLU 91 Cb 0.00 0.25 0.02 0.00 0.26 0.00 0.00 34.13 34.66 1lm0 s GLU 91 CO 0.00 -0.22 0.35 -1.50 -0.54 0.00 0.00 175.26 173.35 1lm0 s ILE 92 N -2.23 0.08 -0.07 -3.70 1.10 0.51 -4.61 121.20 112.28 1lm0 s ILE 92 Ca 0.05 -0.94 0.04 0.00 -0.51 0.00 0.00 60.65 59.29 1lm0 s ILE 92 Cb -0.01 -1.44 0.00 0.00 0.15 0.00 0.00 42.46 41.16 1lm0 s ILE 92 CO -0.05 -0.35 -0.19 -0.76 -2.11 0.00 0.00 174.94 171.49 1lm0 s LEU 93 N -2.87 1.89 0.01 8.50 1.43 -1.26 -0.58 118.68 125.80 1lm0 s LEU 93 Ca 0.08 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1lm0 s LEU 93 Cb 0.02 -1.12 -0.01 0.00 0.03 0.00 0.00 46.19 45.12 1lm0 s LEU 93 CO -0.07 0.12 -0.07 0.54 0.23 0.00 0.00 176.35 177.10 1lm0 s VAL 94 N 0.38 0.53 0.14 -1.59 0.11 -0.08 -2.40 120.40 117.48 1lm0 s VAL 94 Ca -0.14 -0.45 0.04 0.00 -2.93 0.00 0.00 61.98 58.50 1lm0 s VAL 94 Cb -0.16 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1lm0 s VAL 94 CO 0.06 0.03 0.13 0.42 -3.33 0.00 0.00 175.10 172.41 1lm0 s THR 95 N -0.41 4.55 -0.02 5.04 -4.23 0.55 -0.94 115.64 120.17 1lm0 s THR 95 Ca -0.00 -0.96 -0.02 0.00 -1.18 0.00 0.00 61.69 59.53 1lm0 s THR 95 Cb -0.04 -3.29 0.01 0.00 1.34 0.00 0.00 72.50 70.52 1lm0 s THR 95 CO -0.00 -0.04 0.05 -0.47 -0.54 0.00 0.00 174.62 173.63 1lm0 s TYR 96 N -1.64 -0.06 -0.27 3.99 6.14 0.77 -0.60 117.35 125.68 1lm0 s TYR 96 Ca 0.31 0.15 0.14 0.00 0.64 0.00 0.00 57.07 58.31 1lm0 s TYR 96 Cb -0.11 -0.00 0.48 0.00 0.42 0.00 0.00 41.96 42.75 1lm0 s TYR 96 CO 0.23 -0.04 1.16 -0.40 0.64 0.00 0.00 175.55 177.14 1lm0 n ASP 97 N 3.18 3.39 -2.70 4.32 5.75 -1.26 -0.56 116.55 128.66 1lm0 n ASP 97 Ca -0.14 -3.02 -0.06 0.00 -0.01 0.00 0.00 54.79 51.55 1lm0 n ASP 97 Cb 0.59 -0.40 0.09 0.00 -1.03 0.00 0.00 41.12 40.37 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 -0.65 -1.84 -0.50 -1.12 -0.08 -1.26 -4.73 116.55 106.37 1lm0 n ASP 98 Ca 0.28 -2.76 0.00 0.00 -1.51 0.00 0.00 54.79 50.80 1lm0 n ASP 98 Cb 0.90 1.45 0.00 0.00 2.34 0.00 0.00 41.12 45.81 1lm0 n ASP 98 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1lm0 n LEU 99 N 0.10 0.00 -3.79 -2.67 4.32 -1.25 -4.95 117.00 108.76 1lm0 n LEU 99 Ca -0.03 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.84 1lm0 n LEU 99 Cb 0.74 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.45 1lm0 n LEU 99 CO -0.04 -0.80 -0.03 -0.76 -1.22 0.00 0.00 177.39 174.55 1lm0 s LEU 100 N 0.00 1.04 0.24 2.23 1.43 -1.26 -4.93 118.68 117.43 1lm0 s LEU 100 Ca 0.00 -0.03 -0.31 0.00 -1.03 0.00 0.00 54.13 52.76 1lm0 s LEU 100 Cb 0.00 1.12 -0.11 0.00 0.03 0.00 0.00 46.19 47.23 1lm0 s LEU 100 CO 0.00 -0.45 1.59 -2.16 0.23 0.00 0.00 176.35 175.56 1lm0 s PRO 101 N -1.52 4.17 -1.36 1.29 0.04 -1.26 -2.30 135.00 134.06 1lm0 s PRO 101 Ca -0.13 2.49 -0.02 0.00 0.04 0.00 0.00 61.00 63.39 1lm0 s PRO 101 Cb -0.05 -3.08 0.02 0.00 0.04 0.00 0.00 34.50 31.42 1lm0 s PRO 101 CO 0.03 -0.62 0.04 -0.25 0.04 0.00 0.00 177.00 176.24 1lm0 n ASP 102 N 3.04 0.65 -0.10 6.66 9.92 -1.26 -0.18 116.55 135.27 1lm0 n ASP 102 Ca 0.11 -1.11 -0.01 0.00 -0.53 0.00 0.00 54.79 53.25 1lm0 n ASP 102 Cb 0.38 -1.38 -0.01 0.00 -0.64 0.00 0.00 41.12 39.47 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 -4.07 0.69 -2.34 0.64 -0.00 -0.97 -3.09 117.00 107.86 1lm0 n LEU 103 Ca -0.26 0.03 -0.04 0.00 -0.00 0.00 0.00 56.01 55.74 1lm0 n LEU 103 Cb 0.59 -2.19 -0.04 0.00 -0.00 0.00 0.00 43.42 41.78 1lm0 n LEU 103 CO 0.74 -0.84 -0.52 0.33 -0.00 0.00 0.00 177.39 177.10 1lm0 n PHE 104 N -1.71 -3.49 -2.59 1.47 7.35 0.75 -4.86 117.46 114.39 1lm0 n PHE 104 Ca -0.01 2.02 -0.42 0.00 -0.76 0.00 0.00 57.45 58.28 1lm0 n PHE 104 Cb 0.43 -3.39 -0.03 0.00 0.35 0.00 0.00 39.48 36.84 1lm0 n PHE 104 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1lm0 s ARG 105 N -0.76 4.54 0.75 -4.13 0.52 -1.18 -4.99 118.95 113.71 1lm0 s ARG 105 Ca -0.22 1.58 -0.09 0.00 -0.52 0.00 0.00 55.73 56.48 1lm0 s ARG 105 Cb 0.01 -3.39 0.08 0.00 0.52 0.00 0.00 34.95 32.18 1lm0 s ARG 105 CO 0.62 -0.07 1.08 -1.21 0.02 0.00 0.00 175.30 175.75 1lm0 s GLU 106 N 0.70 2.01 -1.04 3.54 0.41 -1.26 -4.54 118.70 118.52 1lm0 s GLU 106 Ca 0.53 -0.18 -0.02 0.00 -0.41 0.00 0.00 54.97 54.89 1lm0 s GLU 106 Cb -0.25 -2.09 0.00 0.00 -1.78 0.00 0.00 34.13 30.01 1lm0 s GLU 106 CO 0.30 -1.43 0.88 0.41 -0.49 0.00 0.00 175.26 174.92 1lm0 n GLY 107 N -3.10 -0.24 3.59 -1.39 0.00 -1.10 -4.95 105.19 98.00 1lm0 n GLY 107 Ca 0.09 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -5.43 2.04 -0.02 1.61 -2.07 -1.25 -5.01 119.66 109.55 1lm0 s GLN 108 Ca 0.15 -1.68 0.03 0.00 -1.82 0.00 0.00 55.36 52.04 1lm0 s GLN 108 Cb -0.07 0.50 -0.03 0.00 -1.09 0.00 0.00 33.01 32.32 1lm0 s GLN 108 CO 0.61 -0.88 -0.08 0.20 -1.32 0.00 0.00 175.29 173.81 1lm0 s GLY 109 N -3.20 1.72 0.21 2.60 0.00 -1.26 -0.87 107.32 106.52 1lm0 s GLY 109 Ca 0.26 -0.99 -0.07 0.00 0.00 0.00 0.00 44.72 43.92 1lm0 s GLY 109 CO 0.18 -0.83 0.29 -0.26 0.00 0.00 0.00 173.10 172.48 1lm0 s ILE 110 N -0.93 0.02 -0.03 0.90 -5.25 -1.06 -4.19 121.20 110.66 1lm0 s ILE 110 Ca 0.15 -1.66 0.07 0.00 -0.99 0.00 0.00 60.65 58.22 1lm0 s ILE 110 Cb -0.11 -2.25 -0.02 0.00 2.95 0.00 0.00 42.46 43.03 1lm0 s ILE 110 CO 0.05 -0.07 -0.25 0.68 -1.79 0.00 0.00 174.94 173.56 1lm0 s VAL 111 N -4.07 1.97 -0.15 8.37 -7.23 -0.72 -3.05 120.40 115.53 1lm0 s VAL 111 Ca 0.28 -1.06 -0.00 0.00 -1.81 0.00 0.00 61.98 59.40 1lm0 s VAL 111 Cb 0.03 -1.65 0.03 0.00 0.56 0.00 0.00 36.38 35.36 1lm0 s VAL 111 CO 0.08 0.56 -0.09 0.00 -0.31 0.00 0.00 175.10 175.34 1lm0 s ALA 112 N -0.47 1.61 -0.14 1.32 0.00 0.42 -0.56 121.76 123.95 1lm0 s ALA 112 Ca 0.06 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 51.18 1lm0 s ALA 112 Cb -0.11 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 1lm0 s ALA 112 CO 0.00 -0.55 -0.01 -1.14 0.00 0.00 0.00 175.76 174.07 1lm0 s GLN 113 N 1.59 3.52 0.00 0.00 0.74 0.50 -0.26 119.66 125.74 1lm0 s GLN 113 Ca 0.03 -0.46 0.00 0.00 0.05 0.00 0.00 55.36 54.98 1lm0 s GLN 113 Cb -0.14 -2.92 0.00 0.00 1.10 0.00 0.00 33.01 31.05 1lm0 s GLN 113 CO -0.09 0.38 0.00 0.41 -0.55 0.00 0.00 175.29 175.44 1lm0 n GLY 114 N 3.13 -0.61 3.22 2.59 0.00 -0.38 -2.28 105.19 110.86 1lm0 n GLY 114 Ca -0.18 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.00 1.69 0.30 1.61 0.11 0.05 -1.00 120.40 120.15 1lm0 s VAL 115 Ca 0.00 -0.90 -0.29 0.00 -2.93 0.00 0.00 61.98 57.86 1lm0 s VAL 115 Cb 0.00 -1.41 -0.10 0.00 -1.53 0.00 0.00 36.38 33.34 1lm0 s VAL 115 CO 0.00 0.48 1.28 -0.76 -3.33 0.00 0.00 175.10 172.77 1lm0 s LEU 116 N -0.35 4.45 0.00 2.54 1.02 -0.34 -0.27 118.68 125.72 1lm0 s LEU 116 Ca 0.04 2.57 0.00 0.00 0.02 0.00 0.00 54.13 56.76 1lm0 s LEU 116 Cb -0.10 -3.64 0.00 0.00 0.02 0.00 0.00 46.19 42.48 1lm0 s LEU 116 CO 0.00 -0.47 0.00 0.61 0.02 0.00 0.00 176.35 176.51 1lm0 n GLY 117 N 1.20 0.51 0.38 -3.19 0.00 0.10 -1.73 105.19 102.45 1lm0 n GLY 117 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1lm0 n GLY 117 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1lm0 h GLU 118 N 0.00 -0.27 0.00 1.61 9.09 -1.95 -3.39 114.58 119.67 1lm0 h GLU 118 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.43 1lm0 h GLU 118 Cb 0.00 0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.16 1lm0 h GLU 118 CO 0.00 -0.18 0.00 -0.25 0.05 0.00 0.00 179.01 178.63 1lm0 n ASP 119 N -5.42 0.00 0.21 3.06 8.00 -1.26 -4.95 116.55 116.20 1lm0 n ASP 119 Ca 0.01 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.59 1lm0 n ASP 119 Cb 0.35 0.00 0.45 0.00 -0.02 0.00 0.00 41.12 41.90 1lm0 n ASP 119 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1lm0 h GLY 120 N 0.00 0.00 -4.31 0.44 0.00 -1.80 -3.43 103.07 93.97 1lm0 h GLY 120 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1lm0 h GLY 120 CO 0.00 0.00 -0.55 0.54 0.00 0.00 0.00 176.54 176.53 1lm0 s LYS 121 N -3.75 3.09 0.22 4.80 3.01 -1.26 -4.54 119.74 121.31 1lm0 s LYS 121 Ca -0.00 -0.68 0.11 0.00 -1.01 0.00 0.00 55.97 54.38 1lm0 s LYS 121 Cb 0.11 -2.80 -0.05 0.00 -1.01 0.00 0.00 37.83 34.08 1lm0 s LYS 121 CO 0.65 0.54 -0.17 -0.51 0.51 0.00 0.00 175.35 176.37 1lm0 s LEU 122 N -2.79 2.70 -0.28 3.17 1.02 -1.01 -0.72 118.68 120.77 1lm0 s LEU 122 Ca 0.32 -0.81 0.03 0.00 0.02 0.00 0.00 54.13 53.69 1lm0 s LEU 122 Cb -0.11 -1.33 0.07 0.00 0.02 0.00 0.00 46.19 44.83 1lm0 s LEU 122 CO 0.25 0.08 -0.07 0.00 0.02 0.00 0.00 176.35 176.63 1lm0 s ALA 123 N -1.99 2.65 -0.04 4.21 0.00 0.62 -0.33 121.76 126.89 1lm0 s ALA 123 Ca 0.26 -1.96 0.02 0.00 0.00 0.00 0.00 51.96 50.27 1lm0 s ALA 123 Cb -0.07 -1.69 0.01 0.00 0.00 0.00 0.00 23.12 21.37 1lm0 s ALA 123 CO 0.14 -1.33 -0.07 0.00 0.00 0.00 0.00 175.76 174.50 1lm0 s ALA 124 N 1.05 0.77 0.00 0.00 0.00 0.23 -0.77 121.76 123.04 1lm0 s ALA 124 Ca -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1lm0 s ALA 124 Cb -0.20 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1lm0 s ALA 124 CO -0.06 0.07 0.67 -2.37 0.00 0.00 0.00 175.76 174.07 1lm0 n THR 125 N 3.64 0.39 -3.69 0.00 5.66 -1.23 -3.91 114.28 115.15 1lm0 n THR 125 Ca -0.22 -0.64 -0.34 0.00 -3.05 0.00 0.00 64.05 59.81 1lm0 n THR 125 Cb 0.53 0.87 -0.08 0.00 -1.55 0.00 0.00 70.33 70.10 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 -0.20 2.47 -3.53 1.09 1.02 -0.96 -5.02 120.64 115.52 1lm0 n GLU 126 Ca 0.00 -4.49 -0.37 0.00 -0.02 0.00 0.00 57.16 52.28 1lm0 n GLU 126 Cb 0.14 -2.38 -0.07 0.00 -0.02 0.00 0.00 31.44 29.11 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 -1.48 5.26 -0.31 2.62 -7.23 -1.26 -0.37 120.40 117.63 1lm0 s VAL 127 Ca 0.28 0.62 0.01 0.00 -1.81 0.00 0.00 61.98 61.08 1lm0 s VAL 127 Cb -0.05 -3.65 0.07 0.00 0.56 0.00 0.00 36.38 33.30 1lm0 s VAL 127 CO -0.13 0.43 -0.00 -0.76 -0.31 0.00 0.00 175.10 174.32 1lm0 s LEU 128 N 0.13 4.06 -0.58 1.32 2.01 0.28 -4.97 118.68 120.92 1lm0 s LEU 128 Ca 0.19 -1.55 -0.26 0.00 0.01 0.00 0.00 54.13 52.51 1lm0 s LEU 128 Cb -0.14 -1.66 0.04 0.00 0.01 0.00 0.00 46.19 44.44 1lm0 s LEU 128 CO 0.06 -0.29 1.10 0.00 1.01 0.00 0.00 176.35 178.23 1lm0 s ALA 129 N 1.13 3.04 -0.63 4.21 0.00 -1.26 -1.75 121.76 126.50 1lm0 s ALA 129 Ca -0.02 -1.04 0.06 0.00 0.00 0.00 0.00 51.96 50.96 1lm0 s ALA 129 Cb -0.20 -3.94 0.24 0.00 0.00 0.00 0.00 23.12 19.22 1lm0 s ALA 129 CO -0.04 -2.61 0.70 0.36 0.00 0.00 0.00 175.76 174.17 1lm0 n LYS 130 N 8.14 2.30 -3.86 0.00 2.85 -1.26 -5.03 118.16 121.30 1lm0 n LYS 130 Ca 0.05 -4.54 -0.09 0.00 -1.05 0.00 0.00 58.31 52.68 1lm0 n LYS 130 Cb 0.48 -2.18 -0.07 0.00 -0.65 0.00 0.00 35.03 32.62 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 -2.26 0.18 -2.23 5.58 3.76 -1.26 -4.87 115.29 114.19 1lm0 s HIS 131 Ca 0.38 -0.57 0.30 0.00 -0.15 0.00 0.00 55.06 55.02 1lm0 s HIS 131 Cb 0.13 -0.01 1.51 0.00 1.11 0.00 0.00 32.58 35.32 1lm0 s HIS 131 CO -0.04 -0.63 2.00 -3.47 -0.85 0.00 0.00 174.74 171.76