#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lm0 s ASN 33 N 0.00 0.14 0.19 -3.46 0.01 -1.26 -5.07 114.94 105.49 1lm0 s ASN 33 Ca 0.00 -1.25 -0.03 0.00 -0.71 0.00 0.00 52.86 50.87 1lm0 s ASN 33 Cb 0.00 0.46 -0.03 0.00 0.41 0.00 0.00 41.25 42.09 1lm0 s ASN 33 CO 0.00 -0.96 0.18 -0.22 -1.51 0.00 0.00 177.10 174.59 1lm0 s LEU 34 N -3.12 1.11 -0.50 0.60 2.96 -1.26 -5.09 118.68 113.37 1lm0 s LEU 34 Ca 0.33 -1.26 0.07 0.00 -0.22 0.00 0.00 54.13 53.05 1lm0 s LEU 34 Cb 0.04 0.63 0.21 0.00 0.50 0.00 0.00 46.19 47.58 1lm0 s LEU 34 CO 0.12 -0.87 0.78 -0.46 -1.32 0.00 0.00 176.35 174.60 1lm0 n ASN 35 N -0.26 -3.10 -4.20 3.68 6.94 -1.26 -4.39 115.26 112.68 1lm0 n ASN 35 Ca -0.00 -3.06 -0.12 0.00 -0.02 0.00 0.00 54.58 51.38 1lm0 n ASN 35 Cb 0.65 1.69 -0.10 0.00 -2.36 0.00 0.00 39.78 39.65 1lm0 n ASN 35 CO 0.00 0.00 0.00 -1.48 -1.03 0.00 0.00 177.26 174.75 1lm0 s LEU 36 N 0.17 1.62 -0.16 -4.53 0.05 -1.26 -4.95 118.68 109.63 1lm0 s LEU 36 Ca 0.31 -1.28 -0.18 0.00 0.05 0.00 0.00 54.13 53.03 1lm0 s LEU 36 Cb 0.10 0.22 -0.04 0.00 -2.05 0.00 0.00 46.19 44.42 1lm0 s LEU 36 CO -0.14 -0.74 0.47 -0.36 -0.55 0.00 0.00 176.35 175.04 1lm0 s PHE 37 N -3.98 3.45 0.09 3.48 0.08 -1.26 -0.47 117.98 119.37 1lm0 s PHE 37 Ca 0.30 0.81 0.05 0.00 0.12 0.00 0.00 56.93 58.21 1lm0 s PHE 37 Cb 0.07 -2.58 -0.03 0.00 -0.57 0.00 0.00 43.02 39.91 1lm0 s PHE 37 CO 0.07 0.07 -0.14 -0.47 -0.10 0.00 0.00 175.22 174.65 1lm0 s TYR 38 N 1.01 1.25 -0.11 0.36 6.14 0.87 -4.96 117.35 121.92 1lm0 s TYR 38 Ca 0.24 -0.52 -0.20 0.00 0.64 0.00 0.00 57.07 57.23 1lm0 s TYR 38 Cb -0.15 -0.68 -0.04 0.00 0.42 0.00 0.00 41.96 41.51 1lm0 s TYR 38 CO 0.09 0.08 0.56 0.99 0.64 0.00 0.00 175.55 177.91 1lm0 s THR 39 N -1.73 5.13 0.10 4.34 2.01 -1.26 -0.50 115.64 123.73 1lm0 s THR 39 Ca 0.03 1.13 -0.26 0.00 0.31 0.00 0.00 61.69 62.90 1lm0 s THR 39 Cb -0.07 -3.90 -0.11 0.00 0.01 0.00 0.00 72.50 68.43 1lm0 s THR 39 CO 0.02 0.28 1.67 1.55 -0.69 0.00 0.00 174.62 177.45 1lm0 h PRO 40 N 6.81 -0.37 0.00 4.92 0.13 -1.87 -0.85 132.00 140.77 1lm0 h PRO 40 Ca -0.40 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1lm0 h PRO 40 Cb 1.18 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1lm0 h PRO 40 CO 0.76 -0.25 0.08 0.43 -0.23 0.00 0.00 178.00 178.79 1lm0 n SER 41 N -5.31 0.25 -0.07 1.44 7.64 -1.23 -1.16 113.62 115.17 1lm0 n SER 41 Ca -0.07 0.57 -0.11 0.00 1.01 0.00 0.00 58.87 60.26 1lm0 n SER 41 Cb 0.23 -0.58 -0.09 0.00 -1.01 0.00 0.00 64.21 62.76 1lm0 n SER 41 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1lm0 h GLU 42 N 0.00 0.00 -1.54 1.43 4.57 -1.50 -3.37 114.58 114.17 1lm0 h GLU 42 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1lm0 h GLU 42 Cb 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1lm0 h GLU 42 CO 0.00 0.68 0.00 0.44 -1.18 0.00 0.00 179.01 178.95 1lm0 n ILE 43 N -4.62 0.87 0.04 2.32 -5.35 -0.31 -2.69 119.36 109.62 1lm0 n ILE 43 Ca -0.12 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1lm0 n ILE 43 Cb 0.39 -0.99 0.00 0.00 -1.74 0.00 0.00 39.64 37.30 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 0.98 0.38 0.01 7.28 0.24 -1.21 -4.06 118.33 121.95 1lm0 n VAL 44 Ca 0.00 0.13 -0.01 0.00 -2.04 0.00 0.00 64.34 62.41 1lm0 n VAL 44 Cb 0.33 -1.20 0.26 0.00 -1.47 0.00 0.00 33.84 31.77 1lm0 n VAL 44 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 1lm0 h ASN 45 N 0.00 0.49 0.00 -1.34 2.35 -1.67 -3.39 115.58 112.01 1lm0 h ASN 45 Ca 0.00 -0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.54 1lm0 h ASN 45 Cb 0.36 -0.13 -0.13 0.00 0.05 0.00 0.00 38.32 38.47 1lm0 h ASN 45 CO 0.00 0.62 -0.09 0.61 -1.65 0.00 0.00 177.43 176.93 1lm0 n GLY 46 N -0.69 -1.47 0.00 2.83 0.00 -1.25 -4.94 105.19 99.67 1lm0 n GLY 46 Ca 0.01 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.90 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 1.40 0.00 0.28 1.61 5.02 -1.26 -4.59 118.16 120.62 1lm0 n LYS 47 Ca 0.02 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.19 1lm0 n LYS 47 Cb 0.70 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.66 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 0.00 -0.71 -0.18 2.02 -1.86 0.24 112.91 112.42 1lm0 h THR 48 Ca 0.00 -0.09 0.13 0.00 0.77 0.00 0.00 66.41 67.21 1lm0 h THR 48 Cb 0.00 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.32 1lm0 h THR 48 CO 0.00 0.00 0.28 0.44 0.37 0.00 0.00 175.52 176.61 1lm0 h ASP 49 N -0.83 0.26 1.76 4.18 5.19 -1.76 0.20 116.42 125.43 1lm0 h ASP 49 Ca -0.07 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1lm0 h ASP 49 Cb 0.56 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.15 1lm0 h ASP 49 CO 0.12 0.12 0.00 0.74 -3.12 0.00 0.00 179.24 177.10 1lm0 h THR 50 N 0.44 0.00 -6.09 0.35 2.02 -1.80 -3.45 112.91 104.38 1lm0 h THR 50 Ca 0.38 -0.77 -0.41 0.00 0.77 0.00 0.00 66.41 66.37 1lm0 h THR 50 Cb 0.54 1.77 0.06 0.00 -1.74 0.00 0.00 68.15 68.78 1lm0 h THR 50 CO -0.37 0.00 -0.85 0.61 0.37 0.00 0.00 175.52 175.27 1lm0 n GLY 51 N 1.16 -0.44 0.38 2.16 0.00 0.77 -4.92 105.19 104.30 1lm0 n GLY 51 Ca 0.05 0.20 -0.06 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.20 1.37 -0.04 1.61 0.24 -0.81 -4.91 118.33 111.60 1lm0 n VAL 52 Ca -0.26 0.23 -0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1lm0 n VAL 52 Cb 0.66 -2.10 -0.00 0.00 -1.47 0.00 0.00 33.84 30.94 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 -0.68 0.00 -7.02 7.34 1.79 -1.81 -3.46 116.57 112.74 1lm0 h LYS 53 Ca 0.00 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 58.02 1lm0 h LYS 53 Cb 0.68 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.31 1lm0 h LYS 53 CO 0.00 0.00 0.34 -1.25 -1.08 0.00 0.00 179.45 177.46 1lm0 s PRO 54 N -1.48 4.30 0.11 3.15 0.04 -1.26 -5.08 135.00 134.79 1lm0 s PRO 54 Ca -0.00 1.18 -0.10 0.00 0.04 0.00 0.00 61.00 62.11 1lm0 s PRO 54 Cb 0.00 -2.32 -0.06 0.00 0.04 0.00 0.00 34.50 32.16 1lm0 s PRO 54 CO 0.00 0.03 0.44 -1.21 0.04 0.00 0.00 177.00 176.31 1lm0 s GLU 55 N -2.92 3.80 1.09 4.56 0.41 -1.26 -4.73 118.70 119.64 1lm0 s GLU 55 Ca 0.59 0.23 -0.13 0.00 -0.41 0.00 0.00 54.97 55.26 1lm0 s GLU 55 Cb -0.11 -2.94 0.24 0.00 -1.78 0.00 0.00 34.13 29.54 1lm0 s GLU 55 CO 0.16 0.51 1.06 0.00 -0.49 0.00 0.00 175.26 176.50 1lm0 s ALA 56 N -1.47 0.19 -1.47 5.21 0.00 -1.26 -3.96 121.76 119.00 1lm0 s ALA 56 Ca 0.36 -0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.09 1lm0 s ALA 56 Cb -0.14 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1lm0 s ALA 56 CO 0.19 -3.38 0.41 0.41 0.00 0.00 0.00 175.76 173.39 1lm0 n GLY 57 N -0.03 -0.41 3.50 0.00 0.00 -1.26 -5.01 105.19 101.99 1lm0 n GLY 57 Ca 0.04 0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.42 1.79 -0.21 1.61 -0.21 -1.25 -4.92 119.66 111.04 1lm0 s GLN 58 Ca 0.20 -1.66 -0.11 0.00 0.02 0.00 0.00 55.36 53.82 1lm0 s GLN 58 Cb -0.09 -1.86 -0.05 0.00 1.00 0.00 0.00 33.01 32.01 1lm0 s GLN 58 CO 0.25 0.35 0.16 0.50 -2.12 0.00 0.00 175.29 174.43 1lm0 s ARG 59 N -3.41 4.15 0.32 2.91 3.00 -1.26 -0.95 118.95 123.70 1lm0 s ARG 59 Ca 0.29 -0.20 -0.02 0.00 -1.00 0.00 0.00 55.73 54.80 1lm0 s ARG 59 Cb -0.06 -3.47 -0.01 0.00 0.00 0.00 0.00 34.95 31.42 1lm0 s ARG 59 CO 0.15 0.20 0.40 0.96 0.00 0.00 0.00 175.30 177.01 1lm0 s ILE 60 N 0.66 0.00 -0.10 4.11 -4.36 0.03 -4.01 121.20 117.53 1lm0 s ILE 60 Ca 0.09 -1.69 0.04 0.00 -0.26 0.00 0.00 60.65 58.82 1lm0 s ILE 60 Cb -0.12 -2.56 -0.00 0.00 1.25 0.00 0.00 42.46 41.03 1lm0 s ILE 60 CO 0.01 0.00 -0.23 -0.13 0.24 0.00 0.00 174.94 174.84 1lm0 s ARG 61 N -3.34 3.04 -0.15 0.37 0.52 0.38 -1.28 118.95 118.49 1lm0 s ARG 61 Ca 0.32 -0.85 -0.14 0.00 -0.52 0.00 0.00 55.73 54.53 1lm0 s ARG 61 Cb 0.01 -2.33 -0.05 0.00 0.52 0.00 0.00 34.95 33.10 1lm0 s ARG 61 CO 0.20 0.21 0.32 0.54 0.02 0.00 0.00 175.30 176.59 1lm0 s VAL 62 N 0.28 5.28 -0.05 3.52 0.11 0.45 -0.09 120.40 129.90 1lm0 s VAL 62 Ca -0.16 0.62 -0.02 0.00 -2.93 0.00 0.00 61.98 59.49 1lm0 s VAL 62 Cb -0.17 -3.66 0.03 0.00 -1.53 0.00 0.00 36.38 31.04 1lm0 s VAL 62 CO 0.08 0.38 0.04 -0.83 -3.33 0.00 0.00 175.10 171.44 1lm0 s GLY 63 N 0.45 0.29 0.00 6.54 0.00 0.34 -0.48 107.32 114.46 1lm0 s GLY 63 Ca 0.18 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.99 1lm0 s GLY 63 CO 0.05 1.31 0.00 0.61 0.00 0.00 0.00 173.10 175.07 1lm0 n GLY 64 N 5.25 1.23 3.75 0.20 0.00 -1.19 -4.13 105.19 110.29 1lm0 n GLY 64 Ca -0.04 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 1lm0 n GLY 64 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1lm0 s MET 65 N 1.03 3.98 -0.42 1.61 0.23 0.60 -2.16 119.30 124.18 1lm0 s MET 65 Ca 0.00 -0.22 -0.24 0.00 -1.03 0.00 0.00 55.69 54.19 1lm0 s MET 65 Cb 0.00 -3.33 0.02 0.00 -1.53 0.00 0.00 34.83 29.99 1lm0 s MET 65 CO 0.00 0.40 0.85 0.08 -2.03 0.00 0.00 175.02 174.32 1lm0 s VAL 66 N 0.05 4.60 0.00 5.16 1.01 -1.26 -1.69 120.40 128.28 1lm0 s VAL 66 Ca 0.09 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1lm0 s VAL 66 Cb -0.11 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.93 1lm0 s VAL 66 CO -0.00 -0.66 0.00 1.07 0.00 0.00 0.00 175.10 175.50 1lm0 n THR 67 N 6.13 0.00 0.00 3.92 5.66 -1.26 -0.24 114.28 128.49 1lm0 n THR 67 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1lm0 n THR 67 Cb 0.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 1lm0 n THR 67 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1lm0 n VAL 68 N 0.00 0.00 -2.20 1.08 3.14 -1.26 -4.04 118.33 115.05 1lm0 n VAL 68 Ca 0.00 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.33 1lm0 n VAL 68 Cb 0.00 -0.01 -0.00 0.00 -1.06 0.00 0.00 33.84 32.77 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 -1.30 0.91 0.15 7.55 0.00 -1.26 -4.52 105.19 106.73 1lm0 n GLY 69 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1lm0 n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1lm0 n SER 70 N -0.49 0.33 -4.59 1.61 7.64 -1.26 -4.75 113.62 112.11 1lm0 n SER 70 Ca -0.23 -2.00 -0.42 0.00 1.01 0.00 0.00 58.87 57.22 1lm0 n SER 70 Cb 0.73 -0.14 -0.02 0.00 -1.01 0.00 0.00 64.21 63.77 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 -1.72 3.52 -0.18 1.43 1.75 -1.26 -4.12 119.30 118.71 1lm0 s MET 71 Ca 0.01 0.52 -0.06 0.00 -1.25 0.00 0.00 55.69 54.91 1lm0 s MET 71 Cb 0.00 -4.02 -0.03 0.00 2.84 0.00 0.00 34.83 33.62 1lm0 s MET 71 CO 0.00 -1.65 0.02 0.14 -0.65 0.00 0.00 175.02 172.88 1lm0 s VAL 72 N 5.22 4.25 -0.03 10.11 -7.23 -0.18 -4.98 120.40 127.56 1lm0 s VAL 72 Ca 0.50 -0.22 0.01 0.00 -1.81 0.00 0.00 61.98 60.46 1lm0 s VAL 72 Cb -0.09 -2.91 -0.03 0.00 0.56 0.00 0.00 36.38 33.90 1lm0 s VAL 72 CO 0.28 0.45 -0.02 0.00 -0.31 0.00 0.00 175.10 175.51 1lm0 s ARG 73 N 0.65 2.80 0.70 4.82 3.03 -1.26 -0.95 118.95 128.73 1lm0 s ARG 73 Ca 0.01 -0.56 -0.12 0.00 2.03 0.00 0.00 55.73 57.08 1lm0 s ARG 73 Cb -0.14 -2.67 0.02 0.00 -1.03 0.00 0.00 34.95 31.13 1lm0 s ARG 73 CO 0.02 0.65 1.08 -0.51 -1.13 0.00 0.00 175.30 175.41 1lm0 s ASP 74 N -1.26 5.06 0.53 -2.89 1.11 0.09 -4.95 116.67 114.37 1lm0 s ASP 74 Ca 0.17 1.81 0.28 0.00 0.18 0.00 0.00 52.55 54.99 1lm0 s ASP 74 Cb -0.11 -2.52 1.50 0.00 1.07 0.00 0.00 42.92 42.86 1lm0 s ASP 74 CO 0.07 -1.66 2.09 1.55 1.18 0.00 0.00 175.17 178.40 1lm0 h PRO 75 N -0.52 0.00 -1.30 8.23 0.13 -2.00 0.37 132.00 136.91 1lm0 h PRO 75 Ca -0.45 0.00 0.39 0.00 -0.87 0.00 0.00 66.00 65.07 1lm0 h PRO 75 Cb 1.23 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.26 1lm0 h PRO 75 CO 0.54 0.10 0.87 -0.91 -0.23 0.00 0.00 178.00 178.37 1lm0 h ASN 76 N 0.00 0.23 0.00 1.44 2.35 -1.92 -3.45 115.58 114.22 1lm0 h ASN 76 Ca -0.00 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1lm0 h ASN 76 Cb 0.30 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1lm0 h ASN 76 CO 0.01 -0.06 0.00 -1.20 -1.65 0.00 0.00 177.43 174.53 1lm0 n SER 77 N -4.50 -0.57 0.00 5.81 7.64 0.12 -4.75 113.62 117.36 1lm0 n SER 77 Ca 0.33 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1lm0 n SER 77 Cb 1.32 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1lm0 n SER 77 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1lm0 n LEU 78 N 0.00 0.00 -4.46 -3.43 -0.00 -1.26 -4.75 117.00 103.10 1lm0 n LEU 78 Ca 0.00 -0.29 -0.36 0.00 -0.00 0.00 0.00 56.01 55.36 1lm0 n LEU 78 Cb 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.31 1lm0 n LEU 78 CO 0.00 0.00 -0.29 -1.00 -0.00 0.00 0.00 177.39 176.10 1lm0 s HIS 79 N -1.25 3.09 -0.08 1.47 3.76 -1.26 -0.79 115.29 120.22 1lm0 s HIS 79 Ca 0.00 -0.41 -0.07 0.00 -0.15 0.00 0.00 55.06 54.44 1lm0 s HIS 79 Cb 0.00 -2.20 0.03 0.00 1.11 0.00 0.00 32.58 31.52 1lm0 s HIS 79 CO 0.00 -0.31 0.21 0.14 -0.85 0.00 0.00 174.74 173.93 1lm0 s VAL 80 N 1.43 -0.01 0.03 -0.90 -7.23 -0.10 -0.73 120.40 112.90 1lm0 s VAL 80 Ca 0.05 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.26 1lm0 s VAL 80 Cb -0.15 -0.31 -0.03 0.00 0.56 0.00 0.00 36.38 36.45 1lm0 s VAL 80 CO 0.03 0.01 -0.04 0.00 -0.31 0.00 0.00 175.10 174.80 1lm0 s GLN 81 N 0.35 0.42 0.09 4.82 -2.07 -0.13 -0.71 119.66 122.43 1lm0 s GLN 81 Ca -0.02 -0.79 -0.14 0.00 -1.82 0.00 0.00 55.36 52.59 1lm0 s GLN 81 Cb -0.03 0.08 0.02 0.00 -1.09 0.00 0.00 33.01 31.99 1lm0 s GLN 81 CO -0.01 -0.05 0.32 -0.59 -1.32 0.00 0.00 175.29 173.63 1lm0 s PHE 82 N -2.10 -0.09 -0.03 9.60 -0.12 -0.36 -1.01 117.98 123.87 1lm0 s PHE 82 Ca -0.09 -0.19 0.03 0.00 -0.05 0.00 0.00 56.93 56.64 1lm0 s PHE 82 Cb -0.05 0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.44 1lm0 s PHE 82 CO -0.03 -0.60 -0.11 0.00 -0.05 0.00 0.00 175.22 174.44 1lm0 s ALA 83 N -3.37 2.84 -0.00 1.99 0.00 -1.26 -0.51 121.76 121.45 1lm0 s ALA 83 Ca 0.01 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 1lm0 s ALA 83 Cb 0.02 -1.05 -0.00 0.00 0.00 0.00 0.00 23.12 22.08 1lm0 s ALA 83 CO -0.09 0.58 0.05 0.54 0.00 0.00 0.00 175.76 176.84 1lm0 s VAL 84 N -0.85 0.06 0.28 0.00 0.11 0.10 -4.44 120.40 115.67 1lm0 s VAL 84 Ca 0.14 -0.51 0.02 0.00 -2.93 0.00 0.00 61.98 58.69 1lm0 s VAL 84 Cb -0.11 -0.24 -0.01 0.00 -1.53 0.00 0.00 36.38 34.49 1lm0 s VAL 84 CO 0.03 -0.28 0.34 0.00 -3.33 0.00 0.00 175.10 171.86 1lm0 n HIS 85 N 2.11 -1.03 -1.34 1.54 1.44 -0.68 -0.79 115.22 116.47 1lm0 n HIS 85 Ca -0.19 -2.08 0.07 0.00 -2.01 0.00 0.00 57.72 53.51 1lm0 n HIS 85 Cb 0.57 0.37 0.18 0.00 0.12 0.00 0.00 29.99 31.23 1lm0 n HIS 85 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1lm0 n ASP 86 N -1.80 2.14 -4.37 4.39 2.03 -1.25 -0.29 116.55 117.41 1lm0 n ASP 86 Ca 0.03 -3.53 -0.37 0.00 0.52 0.00 0.00 54.79 51.44 1lm0 n ASP 86 Cb 0.49 -0.50 -0.07 0.00 -0.72 0.00 0.00 41.12 40.32 1lm0 n ASP 86 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1lm0 n SER 87 N -1.22 -1.36 0.00 1.67 7.64 -1.26 -4.82 113.62 114.27 1lm0 n SER 87 Ca 0.19 -1.18 0.00 0.00 1.01 0.00 0.00 58.87 58.89 1lm0 n SER 87 Cb 0.71 -2.00 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 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 -4.29 0.00 0.00 -3.43 4.77 -1.26 -5.06 117.00 107.72 1lm0 n LEU 88 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1lm0 n LEU 88 Cb 0.54 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1lm0 n LEU 88 CO 0.90 -0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1lm0 n GLY 89 N 3.40 -1.91 0.00 -0.72 0.00 -1.26 -5.13 105.19 99.57 1lm0 n GLY 89 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 46.02 46.97 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 0.00 0.84 3.30 -0.02 0.00 -1.26 -4.88 105.19 103.18 1lm0 n GLY 90 Ca 0.00 0.58 -0.32 0.00 0.00 0.00 0.00 46.02 46.28 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 3.00 0.27 1.61 2.12 -1.26 -3.51 118.70 120.92 1lm0 s GLU 91 Ca 0.00 -0.81 0.10 0.00 0.36 0.00 0.00 54.97 54.62 1lm0 s GLU 91 Cb 0.00 -2.38 -0.04 0.00 0.26 0.00 0.00 34.13 31.96 1lm0 s GLU 91 CO 0.00 0.28 -0.05 -1.50 -0.54 0.00 0.00 175.26 173.45 1lm0 s ILE 92 N 0.13 3.21 -0.15 -3.70 1.10 0.03 -4.92 121.20 116.91 1lm0 s ILE 92 Ca -0.10 -2.03 -0.02 0.00 -0.51 0.00 0.00 60.65 57.99 1lm0 s ILE 92 Cb -0.16 -2.71 -0.02 0.00 0.15 0.00 0.00 42.46 39.72 1lm0 s ILE 92 CO 0.06 -0.38 -0.09 -0.76 -2.11 0.00 0.00 174.94 171.66 1lm0 s LEU 93 N -3.64 2.90 -0.16 8.50 1.43 -1.26 -0.73 118.68 125.73 1lm0 s LEU 93 Ca 0.31 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1lm0 s LEU 93 Cb -0.06 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 1lm0 s LEU 93 CO 0.19 0.15 -0.12 -0.69 0.23 0.00 0.00 176.35 176.10 1lm0 s VAL 94 N 0.48 2.92 -0.12 -1.59 1.01 0.34 -2.28 120.40 121.17 1lm0 s VAL 94 Ca -0.07 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 1lm0 s VAL 94 Cb -0.15 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1lm0 s VAL 94 CO 0.04 0.50 0.09 0.42 0.00 0.00 0.00 175.10 176.15 1lm0 s THR 95 N 0.79 5.12 -0.18 3.92 -4.23 0.05 -1.22 115.64 119.88 1lm0 s THR 95 Ca -0.05 0.06 -0.02 0.00 -1.18 0.00 0.00 61.69 60.51 1lm0 s THR 95 Cb -0.15 -3.22 0.05 0.00 1.34 0.00 0.00 72.50 70.52 1lm0 s THR 95 CO 0.01 0.60 0.01 -0.47 -0.54 0.00 0.00 174.62 174.22 1lm0 s TYR 96 N -0.84 1.27 -0.73 3.99 6.14 0.11 -1.75 117.35 125.54 1lm0 s TYR 96 Ca 0.13 -0.94 -0.02 0.00 0.64 0.00 0.00 57.07 56.88 1lm0 s TYR 96 Cb -0.12 -1.12 0.36 0.00 0.42 0.00 0.00 41.96 41.50 1lm0 s TYR 96 CO 0.03 -0.61 2.09 -0.40 0.64 0.00 0.00 175.55 177.31 1lm0 n ASP 97 N 4.98 7.47 -2.77 4.32 5.75 -1.26 -0.92 116.55 134.12 1lm0 n ASP 97 Ca -0.10 -3.74 -0.05 0.00 -0.01 0.00 0.00 54.79 50.90 1lm0 n ASP 97 Cb 0.47 -1.05 0.02 0.00 -1.03 0.00 0.00 41.12 39.53 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 -0.53 -1.72 -4.81 -1.12 -0.08 0.03 -4.83 116.55 103.49 1lm0 n ASP 98 Ca 0.56 -2.05 -0.34 0.00 -1.51 0.00 0.00 54.79 51.45 1lm0 n ASP 98 Cb 0.42 2.83 -0.07 0.00 2.34 0.00 0.00 41.12 46.65 1lm0 n ASP 98 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1lm0 s LEU 99 N 0.00 4.05 0.66 -2.67 1.02 -1.26 -4.56 118.68 115.92 1lm0 s LEU 99 Ca 0.17 1.67 -0.11 0.00 0.02 0.00 0.00 54.13 55.87 1lm0 s LEU 99 Cb -0.03 -4.35 -0.01 0.00 0.02 0.00 0.00 46.19 41.81 1lm0 s LEU 99 CO 0.07 -0.27 1.05 -0.76 0.02 0.00 0.00 176.35 176.46 1lm0 s LEU 100 N -2.89 3.21 0.00 1.79 2.01 -1.26 -5.07 118.68 116.47 1lm0 s LEU 100 Ca 0.58 1.57 0.00 0.00 0.01 0.00 0.00 54.13 56.29 1lm0 s LEU 100 Cb -0.11 -4.49 0.00 0.00 0.01 0.00 0.00 46.19 41.60 1lm0 s LEU 100 CO 0.16 -1.21 0.00 -0.81 1.01 0.00 0.00 176.35 175.50 1lm0 n PRO 101 N -2.86 0.00 -0.79 1.29 -0.04 -1.26 -4.30 135.00 127.03 1lm0 n PRO 101 Ca 0.07 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.43 1lm0 n PRO 101 Cb 0.54 -0.21 -0.13 0.00 -0.04 0.00 0.00 33.50 33.65 1lm0 n PRO 101 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1lm0 n ASP 102 N 0.00 4.17 0.00 3.54 9.92 -1.26 -4.73 116.55 128.19 1lm0 n ASP 102 Ca 0.00 -2.28 0.00 0.00 -0.53 0.00 0.00 54.79 51.98 1lm0 n ASP 102 Cb 0.00 -1.13 0.00 0.00 -0.64 0.00 0.00 41.12 39.35 1lm0 n ASP 102 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1lm0 n LEU 103 N 2.61 0.21 -1.93 0.64 -0.00 -1.26 -2.84 117.00 114.42 1lm0 n LEU 103 Ca 0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 56.33 1lm0 n LEU 103 Cb 0.73 -0.76 -0.02 0.00 -0.00 0.00 0.00 43.42 43.37 1lm0 n LEU 103 CO 0.15 -0.18 -0.26 0.33 -0.00 0.00 0.00 177.39 177.43 1lm0 n PHE 104 N -0.21 -1.76 -2.62 1.47 7.35 -1.26 -4.91 117.46 115.52 1lm0 n PHE 104 Ca 0.00 1.02 -0.42 0.00 -0.76 0.00 0.00 57.45 57.29 1lm0 n PHE 104 Cb 0.08 -2.46 -0.03 0.00 0.35 0.00 0.00 39.48 37.42 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 -0.86 3.35 0.68 -4.13 1.81 -1.13 -5.03 118.95 113.63 1lm0 s ARG 105 Ca -0.11 -0.07 -0.11 0.00 -1.72 0.00 0.00 55.73 53.73 1lm0 s ARG 105 Cb 0.01 -4.09 0.01 0.00 -0.45 0.00 0.00 34.95 30.42 1lm0 s ARG 105 CO 0.31 -1.84 1.06 -1.21 -0.68 0.00 0.00 175.30 172.94 1lm0 s GLU 106 N 5.05 2.98 -1.11 3.54 8.01 -1.26 -4.21 118.70 131.70 1lm0 s GLU 106 Ca 0.37 0.43 0.00 0.00 0.01 0.00 0.00 54.97 55.78 1lm0 s GLU 106 Cb -0.09 -2.07 0.00 0.00 -4.31 0.00 0.00 34.13 27.66 1lm0 s GLU 106 CO 0.20 -0.91 0.00 0.41 0.01 0.00 0.00 175.26 174.96 1lm0 n GLY 107 N -2.90 1.13 2.69 -1.39 0.00 0.67 -4.80 105.19 100.59 1lm0 n GLY 107 Ca 0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 1lm0 n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lm0 n GLN 108 N -2.00 1.37 -0.56 1.61 10.64 -1.26 -4.97 117.38 122.21 1lm0 n GLN 108 Ca -0.10 -1.63 0.00 0.00 -1.83 0.00 0.00 57.00 53.44 1lm0 n GLN 108 Cb 0.43 0.08 0.00 0.00 -0.86 0.00 0.00 30.24 29.89 1lm0 n GLN 108 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1lm0 n GLY 109 N -1.24 0.00 3.13 2.61 0.00 -1.26 -4.69 105.19 103.74 1lm0 n GLY 109 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 1lm0 n GLY 109 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1lm0 s ILE 110 N -1.78 0.15 -0.09 -0.61 -5.25 -0.92 -4.61 121.20 108.09 1lm0 s ILE 110 Ca 0.00 -1.84 -0.00 0.00 -0.99 0.00 0.00 60.65 57.82 1lm0 s ILE 110 Cb 0.00 -1.83 -0.03 0.00 2.95 0.00 0.00 42.46 43.56 1lm0 s ILE 110 CO 0.00 -0.66 -0.06 0.68 -1.79 0.00 0.00 174.94 173.10 1lm0 s VAL 111 N -3.99 3.72 -0.10 8.37 -7.23 -0.49 -3.19 120.40 117.48 1lm0 s VAL 111 Ca 0.17 -0.46 0.03 0.00 -1.81 0.00 0.00 61.98 59.91 1lm0 s VAL 111 Cb 0.07 -2.55 0.01 0.00 0.56 0.00 0.00 36.38 34.47 1lm0 s VAL 111 CO -0.03 0.57 -0.19 0.00 -0.31 0.00 0.00 175.10 175.14 1lm0 s ALA 112 N -0.47 1.86 -0.06 1.32 0.00 0.36 -0.66 121.76 124.11 1lm0 s ALA 112 Ca 0.07 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1lm0 s ALA 112 Cb -0.12 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 1lm0 s ALA 112 CO 0.02 0.16 -0.08 -0.65 0.00 0.00 0.00 175.76 175.21 1lm0 s GLN 113 N 0.57 2.70 0.00 0.00 -0.21 -0.42 -0.41 119.66 121.89 1lm0 s GLN 113 Ca -0.15 -0.57 0.00 0.00 0.02 0.00 0.00 55.36 54.66 1lm0 s GLN 113 Cb -0.17 -2.55 0.00 0.00 1.00 0.00 0.00 33.01 31.29 1lm0 s GLN 113 CO 0.05 0.66 0.00 0.41 -2.12 0.00 0.00 175.29 174.29 1lm0 n GLY 114 N 2.23 -0.61 3.53 3.09 0.00 -0.40 -2.71 105.19 110.32 1lm0 n GLY 114 Ca -0.18 -0.62 -0.31 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 -3.80 3.19 0.41 1.61 0.11 0.24 -0.79 120.40 121.37 1lm0 s VAL 115 Ca 0.00 -1.06 -0.25 0.00 -2.93 0.00 0.00 61.98 57.73 1lm0 s VAL 115 Cb 0.00 -2.39 -0.10 0.00 -1.53 0.00 0.00 36.38 32.36 1lm0 s VAL 115 CO 0.00 0.31 1.19 0.18 -3.33 0.00 0.00 175.10 173.45 1lm0 n LEU 116 N 1.39 3.49 0.00 2.54 7.99 -0.13 -0.46 117.00 131.83 1lm0 n LEU 116 Ca -0.15 1.10 0.00 0.00 -0.01 0.00 0.00 56.01 56.95 1lm0 n LEU 116 Cb 0.52 -1.45 0.00 0.00 -0.11 0.00 0.00 43.42 42.39 1lm0 n LEU 116 CO 0.29 -0.90 0.00 0.61 -1.51 0.00 0.00 177.39 175.89 1lm0 n GLY 117 N 0.93 0.86 0.00 -0.72 0.00 0.70 -4.16 105.19 102.81 1lm0 n GLY 117 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 -2.74 1.61 2.13 -1.26 -4.41 120.64 115.97 1lm0 n GLU 118 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 1lm0 n GLU 118 Cb 0.00 -0.80 0.08 0.00 0.27 0.00 0.00 31.44 30.98 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 -0.39 -2.44 0.00 4.31 2.03 -1.26 -4.79 116.55 114.00 1lm0 n ASP 119 Ca 0.00 -3.59 0.00 0.00 0.52 0.00 0.00 54.79 51.72 1lm0 n ASP 119 Cb 0.00 1.87 0.00 0.00 -0.72 0.00 0.00 41.12 42.27 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 0.70 -0.25 3.86 0.27 0.00 -1.26 -4.73 105.19 103.78 1lm0 n GLY 120 Ca 0.07 0.29 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 1lm0 n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lm0 s LYS 121 N 0.00 3.35 -0.04 1.61 2.47 -1.26 -4.73 119.74 121.14 1lm0 s LYS 121 Ca 0.00 0.73 0.06 0.00 -1.56 0.00 0.00 55.97 55.20 1lm0 s LYS 121 Cb 0.00 -2.05 -0.01 0.00 -1.46 0.00 0.00 37.83 34.30 1lm0 s LYS 121 CO 0.00 -0.75 -0.22 -0.51 0.16 0.00 0.00 175.35 174.03 1lm0 s LEU 122 N -5.28 2.02 -0.47 5.43 1.02 -0.96 -0.22 118.68 120.23 1lm0 s LEU 122 Ca 0.56 -0.43 -0.12 0.00 0.02 0.00 0.00 54.13 54.16 1lm0 s LEU 122 Cb -0.12 -1.18 0.09 0.00 0.02 0.00 0.00 46.19 45.01 1lm0 s LEU 122 CO 0.54 0.24 0.36 0.00 0.02 0.00 0.00 176.35 177.51 1lm0 s ALA 123 N -0.27 3.46 -0.15 4.21 0.00 0.39 -0.77 121.76 128.63 1lm0 s ALA 123 Ca 0.02 -2.28 -0.01 0.00 0.00 0.00 0.00 51.96 49.69 1lm0 s ALA 123 Cb -0.11 -2.93 0.04 0.00 0.00 0.00 0.00 23.12 20.12 1lm0 s ALA 123 CO 0.01 -1.79 -0.03 0.00 0.00 0.00 0.00 175.76 173.96 1lm0 s ALA 124 N 1.51 1.26 -0.25 0.00 0.00 -0.72 -0.59 121.76 122.97 1lm0 s ALA 124 Ca 0.04 -0.67 0.11 0.00 0.00 0.00 0.00 51.96 51.44 1lm0 s ALA 124 Cb -0.25 -1.06 -0.15 0.00 0.00 0.00 0.00 23.12 21.66 1lm0 s ALA 124 CO 0.03 -0.77 0.36 -2.37 0.00 0.00 0.00 175.76 173.00 1lm0 n THR 125 N 4.96 0.00 -3.46 0.00 5.66 -1.16 -4.29 114.28 115.98 1lm0 n THR 125 Ca -0.11 -0.25 -0.41 0.00 -3.05 0.00 0.00 64.05 60.23 1lm0 n THR 125 Cb 0.48 0.58 -0.03 0.00 -1.55 0.00 0.00 70.33 69.82 1lm0 n THR 125 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1lm0 s GLU 126 N -2.46 3.84 0.23 1.09 2.02 -1.10 -4.99 118.70 117.33 1lm0 s GLU 126 Ca -0.00 -3.25 -0.11 0.00 0.02 0.00 0.00 54.97 51.63 1lm0 s GLU 126 Cb 0.08 -4.32 -0.07 0.00 0.10 0.00 0.00 34.13 29.92 1lm0 s GLU 126 CO 0.47 -1.25 0.57 0.14 0.02 0.00 0.00 175.26 175.21 1lm0 s VAL 127 N -1.31 4.89 0.02 2.63 -7.23 -1.26 -1.30 120.40 116.84 1lm0 s VAL 127 Ca 0.30 0.57 0.06 0.00 -1.81 0.00 0.00 61.98 61.10 1lm0 s VAL 127 Cb -0.09 -3.63 -0.02 0.00 0.56 0.00 0.00 36.38 33.20 1lm0 s VAL 127 CO -0.10 -0.05 -0.18 -0.76 -0.31 0.00 0.00 175.10 173.70 1lm0 s LEU 128 N -2.74 2.11 -0.58 1.32 2.01 0.16 -4.86 118.68 116.10 1lm0 s LEU 128 Ca 0.47 -0.42 0.06 0.00 0.01 0.00 0.00 54.13 54.25 1lm0 s LEU 128 Cb -0.11 -0.89 0.29 0.00 0.01 0.00 0.00 46.19 45.48 1lm0 s LEU 128 CO 0.20 0.17 0.81 0.00 1.01 0.00 0.00 176.35 178.54 1lm0 n ALA 129 N 2.21 4.05 -0.94 4.21 0.00 -1.26 -1.40 120.51 127.38 1lm0 n ALA 129 Ca -0.16 -4.55 -0.15 0.00 0.00 0.00 0.00 53.44 48.57 1lm0 n ALA 129 Cb 0.54 -0.83 -0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 0.43 1.78 -3.18 0.00 0.00 -1.26 -4.50 118.16 111.42 1lm0 n LYS 130 Ca 0.29 -1.37 -0.22 0.00 -0.00 0.00 0.00 58.31 57.01 1lm0 n LYS 130 Cb 0.43 -1.63 -0.06 0.00 -0.00 0.00 0.00 35.03 33.77 1lm0 n LYS 130 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1lm0 n HIS 131 N 0.83 -0.27 0.99 5.58 8.25 -1.26 -5.14 115.22 124.19 1lm0 n HIS 131 Ca 0.29 -3.60 0.12 0.00 -0.26 0.00 0.00 57.72 54.27 1lm0 n HIS 131 Cb 0.59 -0.33 0.10 0.00 1.12 0.00 0.00 29.99 31.47 1lm0 n HIS 131 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58