#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 5.44 0.21 4.04 4.22 -1.26 -5.10 114.94 122.48 1lm0 s ASN 33 Ca 0.00 -0.37 -0.12 0.00 -2.14 0.00 0.00 52.86 50.22 1lm0 s ASN 33 Cb 0.00 -1.17 0.00 0.00 1.28 0.00 0.00 41.25 41.36 1lm0 s ASN 33 CO 0.00 -0.23 0.42 -0.76 -2.04 0.00 0.00 177.10 174.49 1lm0 s LEU 34 N -3.95 0.49 -0.23 3.54 1.43 -1.26 -5.11 118.68 113.60 1lm0 s LEU 34 Ca 0.38 -0.81 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1lm0 s LEU 34 Cb -0.07 1.63 0.10 0.00 0.03 0.00 0.00 46.19 47.89 1lm0 s LEU 34 CO 0.26 -1.03 0.22 0.20 0.23 0.00 0.00 176.35 176.23 1lm0 s ASN 35 N -2.97 1.71 0.03 2.29 0.01 -1.26 -4.31 114.94 110.44 1lm0 s ASN 35 Ca 0.18 -0.47 0.04 0.00 -0.71 0.00 0.00 52.86 51.89 1lm0 s ASN 35 Cb 0.01 0.31 -0.02 0.00 0.41 0.00 0.00 41.25 41.96 1lm0 s ASN 35 CO 0.03 -0.35 -0.12 -1.48 -1.51 0.00 0.00 177.10 173.67 1lm0 s LEU 36 N 2.30 2.16 -0.42 0.60 2.34 -1.26 -4.94 118.68 119.46 1lm0 s LEU 36 Ca 0.07 -0.41 -0.20 0.00 0.06 0.00 0.00 54.13 53.65 1lm0 s LEU 36 Cb -0.15 -0.49 0.02 0.00 -0.56 0.00 0.00 46.19 45.00 1lm0 s LEU 36 CO -0.19 0.01 0.62 -0.36 -1.06 0.00 0.00 176.35 175.36 1lm0 s PHE 37 N -0.81 3.09 0.22 3.48 0.08 -1.26 -0.38 117.98 122.40 1lm0 s PHE 37 Ca -0.00 0.01 0.08 0.00 0.12 0.00 0.00 56.93 57.14 1lm0 s PHE 37 Cb -0.07 -3.27 -0.05 0.00 -0.57 0.00 0.00 43.02 39.06 1lm0 s PHE 37 CO 0.01 -0.80 -0.15 0.71 -0.10 0.00 0.00 175.22 174.89 1lm0 s TYR 38 N 2.74 1.80 0.20 0.36 1.51 0.13 -4.91 117.35 119.19 1lm0 s TYR 38 Ca 0.22 -0.54 -0.30 0.00 -1.01 0.00 0.00 57.07 55.44 1lm0 s TYR 38 Cb -0.14 -0.83 -0.08 0.00 -0.11 0.00 0.00 41.96 40.79 1lm0 s TYR 38 CO 0.18 0.41 1.21 0.95 -1.11 0.00 0.00 175.55 177.19 1lm0 s THR 39 N -2.91 3.46 0.53 -0.71 -4.23 -1.26 -0.20 115.64 110.33 1lm0 s THR 39 Ca 0.24 1.26 0.24 0.00 -1.18 0.00 0.00 61.69 62.24 1lm0 s THR 39 Cb -0.01 -3.80 0.37 0.00 1.34 0.00 0.00 72.50 70.39 1lm0 s THR 39 CO 0.08 0.21 2.03 1.55 -0.54 0.00 0.00 174.62 177.96 1lm0 h PRO 40 N 5.06 0.00 -0.33 3.99 0.13 -1.86 -1.64 132.00 137.35 1lm0 h PRO 40 Ca -0.45 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.59 1lm0 h PRO 40 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1lm0 h PRO 40 CO 0.74 0.00 -0.19 0.66 -0.23 0.00 0.00 178.00 178.98 1lm0 h SER 41 N 0.00 0.61 -0.81 1.44 4.64 -1.87 -3.08 113.55 114.48 1lm0 h SER 41 Ca 0.19 -0.20 0.19 0.00 -0.47 0.00 0.00 61.79 61.50 1lm0 h SER 41 Cb 0.77 -0.17 -0.14 0.00 -0.31 0.00 0.00 62.40 62.55 1lm0 h SER 41 CO -0.00 0.81 -0.02 -0.08 -0.87 0.00 0.00 176.83 176.67 1lm0 h GLU 42 N 0.55 0.07 -0.32 4.77 4.57 -1.68 -1.50 114.58 121.05 1lm0 h GLU 42 Ca 0.09 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1lm0 h GLU 42 Cb 0.64 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1lm0 h GLU 42 CO 0.05 0.05 0.00 0.44 -1.18 0.00 0.00 179.01 178.36 1lm0 n ILE 43 N -5.39 0.37 0.84 2.32 -0.00 -1.16 -3.49 119.36 112.84 1lm0 n ILE 43 Ca 0.15 -0.31 0.09 0.00 -0.00 0.00 0.00 62.75 62.68 1lm0 n ILE 43 Cb 0.51 0.06 -0.08 0.00 -0.00 0.00 0.00 39.64 40.13 1lm0 n ILE 43 CO 0.00 0.00 0.00 0.55 -0.00 0.00 0.00 176.55 177.10 1lm0 n VAL 44 N 0.14 0.00 -0.06 7.28 3.14 -0.56 -2.82 118.33 125.45 1lm0 n VAL 44 Ca 0.07 -0.12 -0.09 0.00 -2.96 0.00 0.00 64.34 61.24 1lm0 n VAL 44 Cb 0.23 1.04 -0.03 0.00 -1.06 0.00 0.00 33.84 34.03 1lm0 n VAL 44 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1lm0 n ASN 45 N -1.15 1.65 -2.74 6.55 3.02 -1.23 -4.90 115.26 116.46 1lm0 n ASN 45 Ca 0.04 0.27 -0.08 0.00 -0.03 0.00 0.00 54.58 54.78 1lm0 n ASN 45 Cb 0.30 -0.62 0.07 0.00 -0.61 0.00 0.00 39.78 38.93 1lm0 n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lm0 n GLY 46 N 2.00 0.25 0.00 7.41 0.00 -1.26 -4.80 105.19 108.79 1lm0 n GLY 46 Ca -0.15 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.95 0.00 0.18 1.61 4.76 -1.26 -4.61 118.16 119.79 1lm0 n LYS 47 Ca 0.07 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.38 1lm0 n LYS 47 Cb 0.67 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.79 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 0.00 -0.90 -0.18 2.02 -1.85 0.30 112.91 112.30 1lm0 h THR 48 Ca 0.00 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.38 1lm0 h THR 48 Cb 0.00 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.30 1lm0 h THR 48 CO 0.00 0.00 0.44 -0.78 0.37 0.00 0.00 175.52 175.55 1lm0 h ASP 49 N -0.68 0.44 0.44 4.18 3.58 -1.78 0.16 116.42 122.76 1lm0 h ASP 49 Ca -0.04 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1lm0 h ASP 49 Cb 0.60 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.73 1lm0 h ASP 49 CO -0.08 0.09 -0.52 0.41 -2.88 0.00 0.00 179.24 176.26 1lm0 n THR 50 N -4.96 0.00 -3.96 2.25 -1.04 -1.20 -4.73 114.28 100.63 1lm0 n THR 50 Ca 0.21 -0.01 -0.26 0.00 -2.04 0.00 0.00 64.05 61.95 1lm0 n THR 50 Cb 0.59 0.33 -0.02 0.00 -1.82 0.00 0.00 70.33 69.41 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 1.49 -0.25 0.10 3.41 0.00 0.94 -4.91 105.19 105.96 1lm0 n GLY 51 Ca 0.06 0.15 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.40 1.49 -0.07 1.61 0.24 -0.52 -4.80 118.33 111.88 1lm0 n VAL 52 Ca -0.27 0.01 -0.04 0.00 -2.04 0.00 0.00 64.34 62.00 1lm0 n VAL 52 Cb 0.67 -2.19 -0.01 0.00 -1.47 0.00 0.00 33.84 30.83 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 -1.00 0.00 -7.12 7.34 1.79 -1.82 -3.47 116.57 112.29 1lm0 h LYS 53 Ca -0.23 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.76 1lm0 h LYS 53 Cb 1.06 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.73 1lm0 h LYS 53 CO -0.14 0.02 0.31 -1.25 -1.08 0.00 0.00 179.45 177.31 1lm0 s PRO 54 N -2.05 3.85 -0.54 3.15 0.04 -1.26 -5.02 135.00 133.16 1lm0 s PRO 54 Ca -0.11 0.78 0.06 0.00 0.04 0.00 0.00 61.00 61.78 1lm0 s PRO 54 Cb 0.02 -2.20 0.34 0.00 0.04 0.00 0.00 34.50 32.70 1lm0 s PRO 54 CO 0.17 -0.25 0.90 0.39 0.04 0.00 0.00 177.00 178.25 1lm0 n GLU 55 N -1.69 2.78 0.00 4.56 1.02 -1.26 -4.55 120.64 121.49 1lm0 n GLU 55 Ca 0.05 -4.57 0.00 0.00 -0.02 0.00 0.00 57.16 52.63 1lm0 n GLU 55 Cb 0.54 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 1lm0 n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1lm0 n ALA 56 N -0.12 0.00 -2.67 0.62 0.00 -1.26 -4.77 120.51 112.31 1lm0 n ALA 56 Ca 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.70 1lm0 n ALA 56 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.89 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 0.00 -0.49 3.28 0.00 0.00 -1.26 -4.84 105.19 101.88 1lm0 n GLY 57 Ca 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.19 1.27 -0.16 1.61 -0.21 -1.26 -4.96 119.66 110.76 1lm0 s GLN 58 Ca 0.07 -1.66 -0.08 0.00 0.02 0.00 0.00 55.36 53.72 1lm0 s GLN 58 Cb -0.04 -0.26 -0.04 0.00 1.00 0.00 0.00 33.01 33.66 1lm0 s GLN 58 CO 0.09 -0.22 0.11 1.03 -2.12 0.00 0.00 175.29 174.17 1lm0 s ARG 59 N -3.98 3.76 0.17 2.91 0.52 -1.26 -0.72 118.95 120.35 1lm0 s ARG 59 Ca 0.32 -0.23 -0.01 0.00 -0.52 0.00 0.00 55.73 55.29 1lm0 s ARG 59 Cb 0.07 -3.23 -0.04 0.00 0.52 0.00 0.00 34.95 32.27 1lm0 s ARG 59 CO 0.09 0.51 0.09 0.96 0.02 0.00 0.00 175.30 176.97 1lm0 s ILE 60 N -0.26 0.13 -0.12 1.52 -4.36 -1.24 -4.48 121.20 112.39 1lm0 s ILE 60 Ca 0.10 -1.96 0.01 0.00 -0.26 0.00 0.00 60.65 58.54 1lm0 s ILE 60 Cb -0.12 -2.30 0.02 0.00 1.25 0.00 0.00 42.46 41.32 1lm0 s ILE 60 CO 0.01 -0.23 -0.12 -0.13 0.24 0.00 0.00 174.94 174.71 1lm0 s ARG 61 N -4.09 1.97 0.05 0.37 0.52 0.48 -3.19 118.95 115.08 1lm0 s ARG 61 Ca 0.32 -0.45 -0.20 0.00 -0.52 0.00 0.00 55.73 54.87 1lm0 s ARG 61 Cb 0.07 -1.80 -0.06 0.00 0.52 0.00 0.00 34.95 33.68 1lm0 s ARG 61 CO 0.07 -0.16 0.60 0.14 0.02 0.00 0.00 175.30 175.97 1lm0 s VAL 62 N 1.30 4.76 -0.19 3.52 -7.23 0.77 -0.69 120.40 122.65 1lm0 s VAL 62 Ca -0.01 1.28 -0.04 0.00 -1.81 0.00 0.00 61.98 61.40 1lm0 s VAL 62 Cb -0.14 -3.94 0.08 0.00 0.56 0.00 0.00 36.38 32.95 1lm0 s VAL 62 CO -0.05 0.50 0.19 -0.83 -0.31 0.00 0.00 175.10 174.60 1lm0 s GLY 63 N -0.77 0.08 0.00 2.32 0.00 0.72 -0.15 107.32 109.52 1lm0 s GLY 63 Ca 0.30 0.15 0.00 0.00 0.00 0.00 0.00 44.72 45.18 1lm0 s GLY 63 CO 0.19 2.05 0.00 0.61 0.00 0.00 0.00 173.10 175.95 1lm0 n GLY 64 N 5.31 1.46 3.76 0.20 0.00 -1.14 -4.06 105.19 110.72 1lm0 n GLY 64 Ca -0.06 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 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 0.59 4.11 0.24 1.61 0.23 -0.64 -2.26 119.30 123.18 1lm0 s MET 65 Ca 0.00 0.12 -0.09 0.00 -1.03 0.00 0.00 55.69 54.69 1lm0 s MET 65 Cb 0.00 -3.37 -0.07 0.00 -1.53 0.00 0.00 34.83 29.86 1lm0 s MET 65 CO 0.00 0.37 0.55 0.14 -2.03 0.00 0.00 175.02 174.05 1lm0 s VAL 66 N 0.06 4.95 1.30 5.16 -7.23 -0.06 -0.82 120.40 123.76 1lm0 s VAL 66 Ca 0.17 0.39 -0.22 0.00 -1.81 0.00 0.00 61.98 60.52 1lm0 s VAL 66 Cb -0.13 -3.64 0.33 0.00 0.56 0.00 0.00 36.38 33.50 1lm0 s VAL 66 CO 0.05 -0.12 0.91 0.41 -0.31 0.00 0.00 175.10 176.04 1lm0 n THR 67 N -0.30 0.00 -3.42 5.32 -1.04 -1.25 -3.64 114.28 109.95 1lm0 n THR 67 Ca 0.00 -0.19 -0.27 0.00 -2.04 0.00 0.00 64.05 61.55 1lm0 n THR 67 Cb 0.53 -1.06 -0.08 0.00 -1.82 0.00 0.00 70.33 67.90 1lm0 n THR 67 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1lm0 n VAL 68 N -5.30 1.74 0.00 12.58 3.14 -1.26 -0.49 118.33 128.75 1lm0 n VAL 68 Ca 0.14 -4.96 0.00 0.00 -2.96 0.00 0.00 64.34 56.55 1lm0 n VAL 68 Cb 0.56 -2.08 0.00 0.00 -1.06 0.00 0.00 33.84 31.27 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 1.06 0.62 0.25 7.55 0.00 -1.26 -4.96 105.19 108.46 1lm0 n GLY 69 Ca 0.28 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.47 1lm0 n GLY 69 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1lm0 h SER 70 N 0.19 0.00 -2.45 1.61 0.02 -1.89 -3.42 113.55 107.61 1lm0 h SER 70 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 1lm0 h SER 70 Cb 0.00 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.58 1lm0 h SER 70 CO 0.00 0.00 1.07 0.80 -1.14 0.00 0.00 176.83 177.56 1lm0 n MET 71 N -2.71 2.67 -4.55 3.45 1.56 -1.26 -3.87 117.12 112.41 1lm0 n MET 71 Ca -0.02 0.97 -0.24 0.00 -0.27 0.00 0.00 57.70 58.15 1lm0 n MET 71 Cb 0.10 -2.84 -0.16 0.00 2.15 0.00 0.00 33.22 32.46 1lm0 n MET 71 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 1lm0 s VAL 72 N 2.47 1.08 0.01 1.12 -7.23 -0.12 -5.00 120.40 112.72 1lm0 s VAL 72 Ca 0.82 -0.45 0.05 0.00 -1.81 0.00 0.00 61.98 60.59 1lm0 s VAL 72 Cb -0.52 -0.99 -0.03 0.00 0.56 0.00 0.00 36.38 35.40 1lm0 s VAL 72 CO 0.38 0.34 -0.14 0.00 -0.31 0.00 0.00 175.10 175.36 1lm0 s ARG 73 N 0.62 2.29 0.31 4.82 1.70 -1.26 -1.10 118.95 126.33 1lm0 s ARG 73 Ca -0.13 -0.85 -0.20 0.00 -0.47 0.00 0.00 55.73 54.08 1lm0 s ARG 73 Cb -0.15 -2.31 -0.09 0.00 -0.57 0.00 0.00 34.95 31.83 1lm0 s ARG 73 CO 0.03 0.58 0.81 -0.51 -1.08 0.00 0.00 175.30 175.13 1lm0 s ASP 74 N -1.25 7.01 0.54 -2.89 1.11 -0.18 -4.95 116.67 116.06 1lm0 s ASP 74 Ca 0.14 1.52 0.26 0.00 0.18 0.00 0.00 52.55 54.65 1lm0 s ASP 74 Cb -0.11 -2.46 1.53 0.00 1.07 0.00 0.00 42.92 42.95 1lm0 s ASP 74 CO 0.05 -0.13 2.14 1.55 1.18 0.00 0.00 175.17 179.96 1lm0 h PRO 75 N 2.76 0.00 -0.98 8.23 0.13 -2.01 -2.65 132.00 137.48 1lm0 h PRO 75 Ca -0.48 0.00 0.34 0.00 -0.87 0.00 0.00 66.00 64.99 1lm0 h PRO 75 Cb 1.18 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 1lm0 h PRO 75 CO 0.64 0.07 0.43 -0.91 -0.23 0.00 0.00 178.00 178.01 1lm0 h ASN 76 N 0.00 0.22 0.00 1.44 2.35 -1.92 -3.45 115.58 114.21 1lm0 h ASN 76 Ca -0.00 0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1lm0 h ASN 76 Cb 0.18 0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1lm0 h ASN 76 CO 0.01 -0.29 0.00 -1.20 -1.65 0.00 0.00 177.43 174.30 1lm0 n SER 77 N -5.22 -1.07 0.00 5.81 7.64 -1.00 -4.88 113.62 114.90 1lm0 n SER 77 Ca 0.31 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1lm0 n SER 77 Cb 1.02 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 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 1.18 -4.09 -3.43 -0.00 -1.26 -4.40 117.00 105.01 1lm0 n LEU 78 Ca 0.00 -1.18 -0.24 0.00 -0.00 0.00 0.00 56.01 54.58 1lm0 n LEU 78 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.26 1lm0 n LEU 78 CO 0.00 0.30 -0.48 -1.00 -0.00 0.00 0.00 177.39 176.21 1lm0 s HIS 79 N -0.33 1.46 -0.14 1.47 3.76 -1.26 -0.59 115.29 119.67 1lm0 s HIS 79 Ca 0.00 -0.42 -0.12 0.00 -0.15 0.00 0.00 55.06 54.38 1lm0 s HIS 79 Cb 0.00 -1.01 0.04 0.00 1.11 0.00 0.00 32.58 32.72 1lm0 s HIS 79 CO 0.00 -0.15 0.36 0.14 -0.85 0.00 0.00 174.74 174.23 1lm0 s VAL 80 N 0.13 -0.00 0.05 -0.90 -7.23 -1.11 -1.01 120.40 110.33 1lm0 s VAL 80 Ca -0.04 0.01 -0.03 0.00 -1.81 0.00 0.00 61.98 60.11 1lm0 s VAL 80 Cb -0.11 -0.50 -0.02 0.00 0.56 0.00 0.00 36.38 36.30 1lm0 s VAL 80 CO 0.02 0.01 0.04 0.00 -0.31 0.00 0.00 175.10 174.85 1lm0 s GLN 81 N 0.33 0.62 0.00 4.82 -2.07 -0.25 -0.50 119.66 122.61 1lm0 s GLN 81 Ca -0.01 -1.01 -0.24 0.00 -1.82 0.00 0.00 55.36 52.28 1lm0 s GLN 81 Cb -0.03 0.23 0.05 0.00 -1.09 0.00 0.00 33.01 32.17 1lm0 s GLN 81 CO -0.01 -0.14 0.53 -0.59 -1.32 0.00 0.00 175.29 173.76 1lm0 s PHE 82 N -3.39 -0.45 0.10 9.60 -0.12 -0.18 -0.95 117.98 122.59 1lm0 s PHE 82 Ca 0.02 0.64 -0.04 0.00 -0.05 0.00 0.00 56.93 57.49 1lm0 s PHE 82 Cb 0.04 0.31 -0.05 0.00 -0.63 0.00 0.00 43.02 42.69 1lm0 s PHE 82 CO -0.08 -0.58 0.32 0.00 -0.05 0.00 0.00 175.22 174.82 1lm0 s ALA 83 N -1.83 3.85 0.05 1.99 0.00 -1.25 -0.64 121.76 123.93 1lm0 s ALA 83 Ca -0.09 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1lm0 s ALA 83 Cb -0.01 -2.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 1lm0 s ALA 83 CO 0.03 0.71 -0.07 0.54 0.00 0.00 0.00 175.76 176.97 1lm0 s VAL 84 N -1.56 0.49 0.34 0.00 0.11 0.14 -3.91 120.40 116.02 1lm0 s VAL 84 Ca 0.37 -1.28 0.04 0.00 -2.93 0.00 0.00 61.98 58.18 1lm0 s VAL 84 Cb -0.13 -0.85 -0.02 0.00 -1.53 0.00 0.00 36.38 33.86 1lm0 s VAL 84 CO 0.24 -0.54 0.36 -1.38 -3.33 0.00 0.00 175.10 170.45 1lm0 s HIS 85 N -2.03 1.53 0.11 1.54 -3.43 -0.00 -0.75 115.29 112.26 1lm0 s HIS 85 Ca -0.05 -1.55 0.02 0.00 -0.80 0.00 0.00 55.06 52.68 1lm0 s HIS 85 Cb -0.06 -0.48 -0.01 0.00 -1.43 0.00 0.00 32.58 30.60 1lm0 s HIS 85 CO -0.02 -0.99 0.08 -3.47 -2.00 0.00 0.00 174.74 168.34 1lm0 n ASP 86 N -1.57 0.06 -0.25 7.38 -0.08 -1.12 -1.63 116.55 119.35 1lm0 n ASP 86 Ca 0.05 -1.67 0.00 0.00 -1.51 0.00 0.00 54.79 51.66 1lm0 n ASP 86 Cb 0.62 0.47 0.00 0.00 2.34 0.00 0.00 41.12 44.55 1lm0 n ASP 86 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1lm0 n SER 87 N -2.44 0.36 -0.53 1.67 7.64 -1.26 -3.49 113.62 115.58 1lm0 n SER 87 Ca 0.01 -1.48 0.06 0.00 1.01 0.00 0.00 58.87 58.48 1lm0 n SER 87 Cb 0.18 -0.18 0.19 0.00 -1.01 0.00 0.00 64.21 63.39 1lm0 n SER 87 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1lm0 n LEU 88 N -0.19 2.83 -3.35 -3.43 4.77 -1.26 -4.98 117.00 111.39 1lm0 n LEU 88 Ca 0.00 -3.62 -0.24 0.00 -0.03 0.00 0.00 56.01 52.13 1lm0 n LEU 88 Cb 0.09 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1lm0 n LEU 88 CO 0.00 1.16 -0.02 0.61 -1.33 0.00 0.00 177.39 177.80 1lm0 n GLY 89 N -1.19 -0.49 3.28 -0.72 0.00 -1.23 -4.94 105.19 99.91 1lm0 n GLY 89 Ca 0.20 0.10 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 1lm0 n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lm0 s GLY 90 N -2.76 1.40 -0.09 -0.02 0.00 -1.26 -5.03 107.32 99.56 1lm0 s GLY 90 Ca 0.41 -0.95 0.04 0.00 0.00 0.00 0.00 44.72 44.21 1lm0 s GLY 90 CO 0.50 -0.33 -0.23 1.85 0.00 0.00 0.00 173.10 174.88 1lm0 s GLU 91 N 0.25 2.92 0.04 2.90 -6.30 -1.26 -2.79 118.70 114.46 1lm0 s GLU 91 Ca -0.14 -0.85 0.04 0.00 -2.50 0.00 0.00 54.97 51.52 1lm0 s GLU 91 Cb -0.17 -2.23 -0.02 0.00 0.00 0.00 0.00 34.13 31.71 1lm0 s GLU 91 CO 0.07 0.19 -0.12 -1.50 0.02 0.00 0.00 175.26 173.92 1lm0 s ILE 92 N 0.31 0.91 -0.20 -3.70 -1.16 0.07 -4.93 121.20 112.51 1lm0 s ILE 92 Ca -0.17 -0.95 -0.09 0.00 -0.51 0.00 0.00 60.65 58.93 1lm0 s ILE 92 Cb -0.17 -0.85 -0.04 0.00 0.61 0.00 0.00 42.46 42.00 1lm0 s ILE 92 CO 0.08 -0.08 0.10 -0.76 -2.81 0.00 0.00 174.94 171.48 1lm0 s LEU 93 N -1.16 3.98 -0.14 8.50 1.43 -1.26 -0.68 118.68 129.36 1lm0 s LEU 93 Ca -0.01 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.23 1lm0 s LEU 93 Cb -0.08 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.12 1lm0 s LEU 93 CO 0.01 0.14 -0.21 -0.69 0.23 0.00 0.00 176.35 175.83 1lm0 s VAL 94 N 0.58 2.17 0.18 -1.59 1.01 0.19 -2.94 120.40 119.99 1lm0 s VAL 94 Ca 0.06 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 1lm0 s VAL 94 Cb -0.12 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 1lm0 s VAL 94 CO 0.01 0.55 0.39 0.42 0.00 0.00 0.00 175.10 176.46 1lm0 s THR 95 N 0.74 5.17 0.18 3.92 -4.23 0.40 -1.01 115.64 120.82 1lm0 s THR 95 Ca -0.08 -0.13 -0.07 0.00 -1.18 0.00 0.00 61.69 60.22 1lm0 s THR 95 Cb -0.16 -3.68 -0.02 0.00 1.34 0.00 0.00 72.50 69.99 1lm0 s THR 95 CO -0.00 -0.07 0.26 -0.47 -0.54 0.00 0.00 174.62 173.79 1lm0 s TYR 96 N -1.78 0.60 -0.02 3.99 6.14 0.34 -1.16 117.35 125.46 1lm0 s TYR 96 Ca 0.40 -0.94 -0.24 0.00 0.64 0.00 0.00 57.07 56.94 1lm0 s TYR 96 Cb -0.12 -0.17 0.05 0.00 0.42 0.00 0.00 41.96 42.15 1lm0 s TYR 96 CO 0.27 -0.72 0.52 0.16 0.64 0.00 0.00 175.55 176.41 1lm0 s ASP 97 N -3.02 -0.45 -0.85 4.32 1.47 -1.26 -2.75 116.67 114.12 1lm0 s ASP 97 Ca 0.23 0.41 -0.04 0.00 1.18 0.00 0.00 52.55 54.32 1lm0 s ASP 97 Cb 0.04 0.45 -0.05 0.00 -0.34 0.00 0.00 42.92 43.02 1lm0 s ASP 97 CO 0.04 -0.57 0.76 0.47 0.68 0.00 0.00 175.17 176.55 1lm0 n ASP 98 N 0.97 -6.12 0.00 2.11 8.00 0.24 -4.80 116.55 116.94 1lm0 n ASP 98 Ca -0.20 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 54.78 1lm0 n ASP 98 Cb 0.57 -4.55 0.00 0.00 -0.02 0.00 0.00 41.12 37.12 1lm0 n ASP 98 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1lm0 n LEU 99 N -2.77 0.00 -3.84 0.64 4.77 -1.26 -4.88 117.00 109.66 1lm0 n LEU 99 Ca -0.05 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.82 1lm0 n LEU 99 Cb 0.59 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.59 1lm0 n LEU 99 CO 0.49 -0.07 -0.10 -0.76 -1.33 0.00 0.00 177.39 175.63 1lm0 s LEU 100 N 0.00 1.36 0.00 2.23 1.43 -1.26 -4.86 118.68 117.58 1lm0 s LEU 100 Ca 0.00 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1lm0 s LEU 100 Cb 0.00 0.93 0.00 0.00 0.03 0.00 0.00 46.19 47.15 1lm0 s LEU 100 CO 0.00 -0.52 0.15 -0.81 0.23 0.00 0.00 176.35 175.40 1lm0 n PRO 101 N 0.85 0.00 -0.14 1.29 -0.04 -1.26 -3.84 135.00 131.86 1lm0 n PRO 101 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1lm0 n PRO 101 Cb 0.58 -0.56 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 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 -0.33 2.72 0.00 3.54 8.00 -1.26 -4.75 116.55 124.48 1lm0 n ASP 102 Ca 0.00 -1.62 0.00 0.00 0.71 0.00 0.00 54.79 53.88 1lm0 n ASP 102 Cb 0.00 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.58 1lm0 n ASP 102 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1lm0 n LEU 103 N 1.07 0.00 -2.77 0.64 7.94 -1.25 -3.42 117.00 119.21 1lm0 n LEU 103 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 1lm0 n LEU 103 Cb 0.34 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.30 1lm0 n LEU 103 CO 0.00 0.00 -0.33 0.33 -1.11 0.00 0.00 177.39 176.28 1lm0 n PHE 104 N -0.78 -3.83 -2.85 1.96 -0.00 -1.26 -4.78 117.46 105.93 1lm0 n PHE 104 Ca 0.00 1.65 -0.41 0.00 -0.00 0.00 0.00 57.45 58.69 1lm0 n PHE 104 Cb 0.00 -4.01 -0.04 0.00 -0.00 0.00 0.00 39.48 35.43 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 -1.93 4.44 0.77 -4.13 0.52 -1.22 -5.04 118.95 112.36 1lm0 s ARG 105 Ca 0.08 1.16 -0.11 0.00 -0.52 0.00 0.00 55.73 56.35 1lm0 s ARG 105 Cb -0.02 -3.50 0.07 0.00 0.52 0.00 0.00 34.95 32.02 1lm0 s ARG 105 CO 0.78 -0.13 1.13 -1.21 0.02 0.00 0.00 175.30 175.88 1lm0 s GLU 106 N 1.40 2.12 -0.94 3.54 8.01 -1.26 -4.44 118.70 127.13 1lm0 s GLU 106 Ca 0.44 0.06 -0.03 0.00 0.01 0.00 0.00 54.97 55.45 1lm0 s GLU 106 Cb -0.18 -2.01 0.00 0.00 -4.31 0.00 0.00 34.13 27.62 1lm0 s GLU 106 CO 0.20 -1.44 0.80 0.41 0.01 0.00 0.00 175.26 175.24 1lm0 n GLY 107 N -3.18 -0.16 3.69 -1.39 0.00 0.36 -4.91 105.19 99.61 1lm0 n GLY 107 Ca 0.08 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 2.17 -0.10 1.61 -2.07 -1.25 -5.01 119.66 109.58 1lm0 s GLN 108 Ca 0.19 -1.59 -0.14 0.00 -1.82 0.00 0.00 55.36 51.99 1lm0 s GLN 108 Cb -0.08 0.57 -0.05 0.00 -1.09 0.00 0.00 33.01 32.35 1lm0 s GLN 108 CO 0.54 -0.98 0.35 0.20 -1.32 0.00 0.00 175.29 174.08 1lm0 s GLY 109 N -3.15 2.32 0.09 2.60 0.00 -1.26 -0.88 107.32 107.04 1lm0 s GLY 109 Ca 0.21 -0.35 -0.00 0.00 0.00 0.00 0.00 44.72 44.58 1lm0 s GLY 109 CO 0.15 0.35 -0.01 -0.26 0.00 0.00 0.00 173.10 173.33 1lm0 s ILE 110 N -0.08 0.32 -0.16 0.90 -5.25 -0.96 -4.57 121.20 111.40 1lm0 s ILE 110 Ca 0.20 -1.88 0.01 0.00 -0.99 0.00 0.00 60.65 58.00 1lm0 s ILE 110 Cb -0.14 -1.75 0.01 0.00 2.95 0.00 0.00 42.46 43.52 1lm0 s ILE 110 CO 0.08 -0.78 -0.19 0.68 -1.79 0.00 0.00 174.94 172.94 1lm0 s VAL 111 N -3.88 2.27 -0.09 8.37 -7.23 -0.77 -2.91 120.40 116.17 1lm0 s VAL 111 Ca 0.14 -0.89 -0.00 0.00 -1.81 0.00 0.00 61.98 59.41 1lm0 s VAL 111 Cb 0.07 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 1lm0 s VAL 111 CO -0.04 0.53 -0.07 0.00 -0.31 0.00 0.00 175.10 175.21 1lm0 s ALA 112 N 0.96 2.96 0.00 1.32 0.00 0.79 -0.49 121.76 127.31 1lm0 s ALA 112 Ca -0.03 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.10 1lm0 s ALA 112 Cb -0.15 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 1lm0 s ALA 112 CO -0.04 0.46 -0.15 -1.14 0.00 0.00 0.00 175.76 174.89 1lm0 s GLN 113 N -0.44 1.14 0.00 0.00 0.74 0.88 -0.16 119.66 121.82 1lm0 s GLN 113 Ca 0.07 -0.60 0.00 0.00 0.05 0.00 0.00 55.36 54.88 1lm0 s GLN 113 Cb -0.12 -1.12 0.00 0.00 1.10 0.00 0.00 33.01 32.87 1lm0 s GLN 113 CO 0.02 0.30 0.00 0.41 -0.55 0.00 0.00 175.29 175.47 1lm0 n GLY 114 N 2.49 -0.28 3.02 2.59 0.00 -1.19 -1.19 105.19 110.63 1lm0 n GLY 114 Ca -0.15 0.41 -0.08 0.00 0.00 0.00 0.00 46.02 46.19 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 0.14 0.42 1.61 0.11 0.04 -3.72 120.40 119.01 1lm0 s VAL 115 Ca 0.00 -1.20 -0.26 0.00 -2.93 0.00 0.00 61.98 57.60 1lm0 s VAL 115 Cb 0.00 -0.66 -0.10 0.00 -1.53 0.00 0.00 36.38 34.09 1lm0 s VAL 115 CO 0.00 -0.66 1.33 0.18 -3.33 0.00 0.00 175.10 172.62 1lm0 n LEU 116 N 1.12 4.35 0.00 2.54 7.99 0.10 -0.41 117.00 132.70 1lm0 n LEU 116 Ca -0.21 1.12 0.00 0.00 -0.01 0.00 0.00 56.01 56.91 1lm0 n LEU 116 Cb 0.57 -1.53 0.00 0.00 -0.11 0.00 0.00 43.42 42.34 1lm0 n LEU 116 CO 0.23 -0.46 0.00 0.61 -1.51 0.00 0.00 177.39 176.25 1lm0 n GLY 117 N 0.73 0.74 0.27 -0.72 0.00 0.48 -4.46 105.19 102.23 1lm0 n GLY 117 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1lm0 n GLY 117 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1lm0 h GLU 118 N 0.00 -0.65 0.00 1.61 4.81 -1.96 -3.43 114.58 114.96 1lm0 h GLU 118 Ca 0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1lm0 h GLU 118 Cb 0.00 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1lm0 h GLU 118 CO 0.00 -0.44 0.00 -0.25 -0.73 0.00 0.00 179.01 177.59 1lm0 n ASP 119 N -3.87 0.00 -0.04 1.04 8.00 -1.26 -4.89 116.55 115.53 1lm0 n ASP 119 Ca -0.08 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.26 1lm0 n ASP 119 Cb 0.27 0.15 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 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 0.90 -2.01 0.44 0.00 -1.85 -3.44 103.07 97.11 1lm0 h GLY 120 Ca 0.00 -1.17 -0.47 0.00 0.00 0.00 0.00 47.33 45.68 1lm0 h GLY 120 CO 0.00 1.05 0.30 0.54 0.00 0.00 0.00 176.54 178.43 1lm0 s LYS 121 N -3.90 3.97 -0.10 4.80 3.01 -1.26 -4.63 119.74 121.63 1lm0 s LYS 121 Ca -0.10 0.87 -0.01 0.00 -1.01 0.00 0.00 55.97 55.72 1lm0 s LYS 121 Cb 0.09 -2.21 -0.03 0.00 -1.01 0.00 0.00 37.83 34.67 1lm0 s LYS 121 CO 0.90 -0.16 -0.06 -0.51 0.51 0.00 0.00 175.35 176.03 1lm0 s LEU 122 N -3.81 3.19 -0.73 3.17 2.01 -1.15 -0.38 118.68 120.97 1lm0 s LEU 122 Ca 0.58 -0.06 -0.09 0.00 0.01 0.00 0.00 54.13 54.57 1lm0 s LEU 122 Cb -0.10 -1.72 0.19 0.00 0.01 0.00 0.00 46.19 44.57 1lm0 s LEU 122 CO 0.27 0.29 0.62 0.00 1.01 0.00 0.00 176.35 178.54 1lm0 s ALA 123 N -0.40 3.86 0.19 4.21 0.00 0.46 -0.45 121.76 129.62 1lm0 s ALA 123 Ca 0.06 -3.30 -0.16 0.00 0.00 0.00 0.00 51.96 48.56 1lm0 s ALA 123 Cb -0.12 -3.12 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 1lm0 s ALA 123 CO 0.02 -2.20 0.63 0.00 0.00 0.00 0.00 175.76 174.21 1lm0 s ALA 124 N 0.05 3.50 0.00 0.00 0.00 -0.31 -0.78 121.76 124.22 1lm0 s ALA 124 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1lm0 s ALA 124 Cb -0.15 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.32 1lm0 s ALA 124 CO -0.06 0.40 0.13 -2.37 0.00 0.00 0.00 175.76 173.86 1lm0 n THR 125 N 0.67 0.00 -3.79 0.00 5.66 -0.65 -4.08 114.28 112.09 1lm0 n THR 125 Ca -0.03 -0.13 -0.30 0.00 -3.05 0.00 0.00 64.05 60.53 1lm0 n THR 125 Cb 0.52 1.73 -0.15 0.00 -1.55 0.00 0.00 70.33 70.88 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 -0.00 0.87 0.05 1.09 2.02 -0.33 -4.98 118.70 117.43 1lm0 s GLU 126 Ca 0.00 -1.25 -0.03 0.00 0.02 0.00 0.00 54.97 53.72 1lm0 s GLU 126 Cb 0.00 -2.24 -0.04 0.00 0.10 0.00 0.00 34.13 31.95 1lm0 s GLU 126 CO 0.00 -0.98 0.25 0.14 0.02 0.00 0.00 175.26 174.69 1lm0 s VAL 127 N 1.46 5.34 -0.21 2.63 -7.23 -1.26 -0.08 120.40 121.04 1lm0 s VAL 127 Ca 0.10 -0.16 0.01 0.00 -1.81 0.00 0.00 61.98 60.11 1lm0 s VAL 127 Cb -0.18 -3.60 0.05 0.00 0.56 0.00 0.00 36.38 33.22 1lm0 s VAL 127 CO -0.22 0.20 -0.08 -0.76 -0.31 0.00 0.00 175.10 173.94 1lm0 s LEU 128 N -2.29 2.36 -0.69 1.32 2.01 0.36 -4.72 118.68 117.02 1lm0 s LEU 128 Ca 0.33 -1.01 -0.02 0.00 0.01 0.00 0.00 54.13 53.45 1lm0 s LEU 128 Cb -0.13 -1.18 0.44 0.00 0.01 0.00 0.00 46.19 45.33 1lm0 s LEU 128 CO 0.23 -0.19 2.03 0.00 1.01 0.00 0.00 176.35 179.43 1lm0 n ALA 129 N 4.69 6.36 -1.51 4.21 0.00 -1.26 -1.84 120.51 131.16 1lm0 n ALA 129 Ca -0.13 -3.58 -0.41 0.00 0.00 0.00 0.00 53.44 49.32 1lm0 n ALA 129 Cb 0.45 -1.80 -0.04 0.00 0.00 0.00 0.00 19.45 18.07 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 -0.86 1.99 -2.72 0.00 2.85 -1.26 -4.63 118.16 113.53 1lm0 n LYS 130 Ca 0.61 -2.22 -0.05 0.00 -1.05 0.00 0.00 58.31 55.60 1lm0 n LYS 130 Cb 0.60 -3.15 0.04 0.00 -0.65 0.00 0.00 35.03 31.86 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 8.00 1.41 -0.09 5.58 -0.00 -1.26 -5.04 115.22 123.81 1lm0 n HIS 131 Ca 0.50 -2.35 0.00 0.00 0.46 0.00 0.00 57.72 56.32 1lm0 n HIS 131 Cb 0.41 -0.27 0.00 0.00 -0.12 0.00 0.00 29.99 30.01 1lm0 n HIS 131 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55