#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 6.47 0.12 4.04 2.47 -1.26 -5.05 114.94 121.73 1lm0 s ASN 33 Ca 0.00 0.55 -0.31 0.00 0.42 0.00 0.00 52.86 53.51 1lm0 s ASN 33 Cb 0.00 -2.30 -0.09 0.00 -1.45 0.00 0.00 41.25 37.42 1lm0 s ASN 33 CO 0.00 -0.32 1.51 -0.22 -3.72 0.00 0.00 177.10 174.35 1lm0 s LEU 34 N 2.38 4.36 -0.37 3.21 2.96 -1.26 -4.98 118.68 124.98 1lm0 s LEU 34 Ca 0.22 2.45 0.06 0.00 -0.22 0.00 0.00 54.13 56.65 1lm0 s LEU 34 Cb -0.16 -3.58 0.19 0.00 0.50 0.00 0.00 46.19 43.14 1lm0 s LEU 34 CO 0.09 -0.77 0.65 0.21 -1.32 0.00 0.00 176.35 175.21 1lm0 s ASN 35 N 1.43 -1.49 0.12 3.68 3.84 -1.26 -4.56 114.94 116.70 1lm0 s ASN 35 Ca 0.68 -0.45 -0.03 0.00 0.21 0.00 0.00 52.86 53.27 1lm0 s ASN 35 Cb -0.40 1.91 -0.03 0.00 -0.55 0.00 0.00 41.25 42.18 1lm0 s ASN 35 CO 0.31 -0.20 0.10 -1.48 -2.79 0.00 0.00 177.10 173.04 1lm0 s LEU 36 N 2.16 1.68 -0.26 3.21 2.34 -1.26 -4.93 118.68 121.62 1lm0 s LEU 36 Ca 0.14 -1.08 -0.26 0.00 0.06 0.00 0.00 54.13 52.99 1lm0 s LEU 36 Cb -0.05 0.51 0.00 0.00 -0.56 0.00 0.00 46.19 46.09 1lm0 s LEU 36 CO -0.13 -0.75 0.92 -0.36 -1.06 0.00 0.00 176.35 174.97 1lm0 s PHE 37 N -4.00 3.29 0.25 3.48 0.08 -1.26 -1.07 117.98 118.75 1lm0 s PHE 37 Ca 0.19 1.20 0.10 0.00 0.12 0.00 0.00 56.93 58.54 1lm0 s PHE 37 Cb 0.07 -3.21 -0.04 0.00 -0.57 0.00 0.00 43.02 39.26 1lm0 s PHE 37 CO -0.01 -0.49 -0.03 -0.47 -0.10 0.00 0.00 175.22 174.12 1lm0 s TYR 38 N 3.06 2.66 0.40 0.36 5.04 0.11 -4.86 117.35 124.12 1lm0 s TYR 38 Ca 0.38 -0.23 -0.25 0.00 -2.44 0.00 0.00 57.07 54.54 1lm0 s TYR 38 Cb -0.15 -1.20 -0.08 0.00 0.35 0.00 0.00 41.96 40.88 1lm0 s TYR 38 CO 0.08 0.61 1.17 0.95 -1.34 0.00 0.00 175.55 177.03 1lm0 s THR 39 N -2.25 3.14 0.09 4.34 -4.23 -1.26 -0.50 115.64 114.97 1lm0 s THR 39 Ca 0.30 0.96 -0.18 0.00 -1.18 0.00 0.00 61.69 61.59 1lm0 s THR 39 Cb -0.07 -3.54 -0.08 0.00 1.34 0.00 0.00 72.50 70.16 1lm0 s THR 39 CO 0.19 0.09 1.51 1.55 -0.54 0.00 0.00 174.62 177.42 1lm0 h PRO 40 N 2.64 0.48 -0.83 3.99 0.13 -1.89 -3.21 132.00 133.30 1lm0 h PRO 40 Ca -0.49 -0.16 0.21 0.00 -0.87 0.00 0.00 66.00 64.69 1lm0 h PRO 40 Cb 1.23 -0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 1lm0 h PRO 40 CO 0.62 0.65 0.09 0.66 -0.23 0.00 0.00 178.00 179.80 1lm0 h SER 41 N 0.25 -0.24 0.02 1.44 4.64 -1.88 -0.44 113.55 117.33 1lm0 h SER 41 Ca 0.07 0.21 0.03 0.00 -0.47 0.00 0.00 61.79 61.63 1lm0 h SER 41 Cb 0.45 0.34 -0.05 0.00 -0.31 0.00 0.00 62.40 62.82 1lm0 h SER 41 CO 0.02 -0.19 -0.41 -0.33 -0.87 0.00 0.00 176.83 175.05 1lm0 h GLU 42 N 0.13 -0.56 -1.39 4.77 3.07 -1.90 -2.85 114.58 115.85 1lm0 h GLU 42 Ca 0.49 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 1lm0 h GLU 42 Cb 0.93 0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 1lm0 h GLU 42 CO -0.70 -0.37 0.00 0.44 -1.40 0.00 0.00 179.01 176.98 1lm0 n ILE 43 N -5.45 0.71 0.00 3.13 -5.35 -0.18 -2.04 119.36 110.18 1lm0 n ILE 43 Ca -0.06 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1lm0 n ILE 43 Cb 0.37 -0.87 0.00 0.00 -1.74 0.00 0.00 39.64 37.40 1lm0 n ILE 43 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1lm0 n VAL 44 N 0.75 0.00 -3.48 7.28 0.31 -1.07 -2.30 118.33 119.81 1lm0 n VAL 44 Ca 0.00 -0.07 -0.29 0.00 -0.01 0.00 0.00 64.34 63.97 1lm0 n VAL 44 Cb 0.33 0.57 -0.13 0.00 -0.91 0.00 0.00 33.84 33.71 1lm0 n VAL 44 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1lm0 s ASN 45 N -1.84 3.08 -0.79 4.52 0.01 -0.87 -4.75 114.94 114.30 1lm0 s ASN 45 Ca 0.00 -2.05 -0.02 0.00 -0.71 0.00 0.00 52.86 50.08 1lm0 s ASN 45 Cb 0.00 -0.41 0.00 0.00 0.41 0.00 0.00 41.25 41.25 1lm0 s ASN 45 CO 0.00 -0.33 0.67 0.61 -1.51 0.00 0.00 177.10 176.54 1lm0 n GLY 46 N 4.23 -0.04 0.00 0.66 0.00 -1.26 -5.00 105.19 103.78 1lm0 n GLY 46 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.10 0.00 0.00 1.61 4.01 -1.26 -4.75 118.16 114.67 1lm0 n LYS 47 Ca -0.12 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.58 1lm0 n LYS 47 Cb 0.58 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 35.07 1lm0 n LYS 47 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 1lm0 h THR 48 N 0.00 0.36 -0.82 -0.18 2.02 -1.85 -0.82 112.91 111.61 1lm0 h THR 48 Ca 0.00 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.28 1lm0 h THR 48 Cb 0.00 0.36 -0.12 0.00 -1.74 0.00 0.00 68.15 66.65 1lm0 h THR 48 CO 0.00 0.00 -0.39 -0.67 0.37 0.00 0.00 175.52 174.83 1lm0 n ASP 49 N -5.39 -0.67 -0.04 4.18 2.03 -0.97 -0.30 116.55 115.39 1lm0 n ASP 49 Ca -0.03 1.44 0.14 0.00 0.52 0.00 0.00 54.79 56.86 1lm0 n ASP 49 Cb 0.30 -0.27 0.56 0.00 -0.72 0.00 0.00 41.12 40.99 1lm0 n ASP 49 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1lm0 n THR 50 N -5.13 0.00 -3.21 5.18 -1.04 -0.94 -4.04 114.28 105.11 1lm0 n THR 50 Ca 0.05 -0.02 -0.23 0.00 -2.04 0.00 0.00 64.05 61.81 1lm0 n THR 50 Cb 0.28 -0.21 0.03 0.00 -1.82 0.00 0.00 70.33 68.61 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 1.40 -0.52 0.13 3.41 0.00 0.59 -4.91 105.19 105.30 1lm0 n GLY 51 Ca 0.10 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.43 0.75 0.00 1.61 -1.51 -1.77 -3.42 116.25 110.47 1lm0 h VAL 52 Ca -0.51 -2.32 0.00 0.00 -1.23 0.00 0.00 66.70 62.64 1lm0 h VAL 52 Cb 1.35 2.48 0.00 0.00 -2.13 0.00 0.00 31.29 32.99 1lm0 h VAL 52 CO 0.57 0.75 -0.04 0.11 -1.23 0.00 0.00 177.57 177.73 1lm0 h LYS 53 N -0.20 0.00 -7.03 5.19 1.79 -1.86 -3.47 116.57 110.99 1lm0 h LYS 53 Ca -0.39 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 57.61 1lm0 h LYS 53 Cb 1.86 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.50 1lm0 h LYS 53 CO 0.03 0.00 0.28 -1.25 -1.08 0.00 0.00 179.45 177.43 1lm0 s PRO 54 N -1.39 4.02 -0.72 3.15 0.04 -1.26 -4.98 135.00 133.86 1lm0 s PRO 54 Ca -0.01 0.89 -0.02 0.00 0.04 0.00 0.00 61.00 61.90 1lm0 s PRO 54 Cb 0.00 -2.23 0.42 0.00 0.04 0.00 0.00 34.50 32.73 1lm0 s PRO 54 CO 0.02 -0.10 2.02 0.39 0.04 0.00 0.00 177.00 179.37 1lm0 n GLU 55 N -1.07 2.73 -3.97 4.56 1.02 -1.26 -4.70 120.64 117.95 1lm0 n GLU 55 Ca 0.06 -3.38 -0.31 0.00 -0.02 0.00 0.00 57.16 53.50 1lm0 n GLU 55 Cb 0.54 -2.28 0.01 0.00 -0.02 0.00 0.00 31.44 29.69 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 -0.80 -2.06 -1.91 0.62 0.00 -1.26 -4.79 120.51 110.31 1lm0 n ALA 56 Ca 0.60 -0.40 -0.04 0.00 0.00 0.00 0.00 53.44 53.59 1lm0 n ALA 56 Cb 0.54 -1.67 -0.04 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.72 0.26 3.38 0.00 0.00 -1.26 -4.84 105.19 101.01 1lm0 n GLY 57 Ca -0.07 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 0.01 1.41 -0.36 1.61 -0.21 -1.26 -4.94 119.66 115.91 1lm0 s GLN 58 Ca 0.01 -1.46 -0.16 0.00 0.02 0.00 0.00 55.36 53.77 1lm0 s GLN 58 Cb 0.03 -1.65 -0.00 0.00 1.00 0.00 0.00 33.01 32.38 1lm0 s GLN 58 CO -0.01 0.35 0.39 0.50 -2.12 0.00 0.00 175.29 174.41 1lm0 s ARG 59 N -2.63 3.46 0.38 2.91 3.52 -1.26 -1.57 118.95 123.76 1lm0 s ARG 59 Ca 0.18 -0.48 0.05 0.00 -0.13 0.00 0.00 55.73 55.35 1lm0 s ARG 59 Cb -0.07 -3.84 -0.03 0.00 -1.56 0.00 0.00 34.95 29.45 1lm0 s ARG 59 CO 0.08 -0.61 0.17 0.96 -0.81 0.00 0.00 175.30 175.09 1lm0 s ILE 60 N 2.07 0.42 0.04 4.11 -4.36 0.45 -4.22 121.20 119.71 1lm0 s ILE 60 Ca 0.12 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.53 1lm0 s ILE 60 Cb -0.17 -2.39 -0.03 0.00 1.25 0.00 0.00 42.46 41.13 1lm0 s ILE 60 CO 0.12 0.00 -0.08 -0.13 0.24 0.00 0.00 174.94 175.10 1lm0 s ARG 61 N -3.65 0.54 0.03 0.37 0.52 -0.23 -1.08 118.95 115.45 1lm0 s ARG 61 Ca 0.29 -0.79 0.09 0.00 -0.52 0.00 0.00 55.73 54.79 1lm0 s ARG 61 Cb 0.03 -0.27 -0.03 0.00 0.52 0.00 0.00 34.95 35.19 1lm0 s ARG 61 CO 0.18 0.04 -0.25 0.54 0.02 0.00 0.00 175.30 175.83 1lm0 s VAL 62 N -1.54 2.24 -0.11 3.52 0.11 0.55 -0.72 120.40 124.45 1lm0 s VAL 62 Ca -0.09 -1.30 -0.04 0.00 -2.93 0.00 0.00 61.98 57.62 1lm0 s VAL 62 Cb -0.09 -1.87 0.05 0.00 -1.53 0.00 0.00 36.38 32.95 1lm0 s VAL 62 CO -0.00 0.40 0.23 -0.83 -3.33 0.00 0.00 175.10 171.57 1lm0 s GLY 63 N -1.15 -0.08 -0.01 6.54 0.00 0.34 -0.53 107.32 112.43 1lm0 s GLY 63 Ca 0.12 0.86 -0.04 0.00 0.00 0.00 0.00 44.72 45.66 1lm0 s GLY 63 CO 0.02 1.67 0.18 0.61 0.00 0.00 0.00 173.10 175.58 1lm0 n GLY 64 N 4.98 0.45 3.76 0.20 0.00 -1.13 -4.12 105.19 109.34 1lm0 n GLY 64 Ca -0.12 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.00 4.38 0.19 1.61 0.23 -0.90 -2.73 119.30 120.07 1lm0 s MET 65 Ca 0.04 0.85 -0.31 0.00 -1.03 0.00 0.00 55.69 55.24 1lm0 s MET 65 Cb -0.00 -3.34 -0.10 0.00 -1.53 0.00 0.00 34.83 29.86 1lm0 s MET 65 CO -0.00 0.37 1.56 0.54 -2.03 0.00 0.00 175.02 175.46 1lm0 s VAL 66 N -0.25 2.55 0.00 5.16 0.11 -1.26 -1.20 120.40 125.52 1lm0 s VAL 66 Ca 0.33 0.41 0.00 0.00 -2.93 0.00 0.00 61.98 59.79 1lm0 s VAL 66 Cb -0.19 -3.26 0.00 0.00 -1.53 0.00 0.00 36.38 31.40 1lm0 s VAL 66 CO 0.19 0.04 0.32 0.41 -3.33 0.00 0.00 175.10 172.74 1lm0 n THR 67 N 3.63 0.00 0.00 5.04 -1.04 -1.23 -3.92 114.28 116.76 1lm0 n THR 67 Ca 0.13 0.77 0.00 0.00 -2.04 0.00 0.00 64.05 62.90 1lm0 n THR 67 Cb 0.38 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 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 -0.68 0.00 -2.23 12.58 3.14 -1.26 -4.66 118.33 125.21 1lm0 n VAL 68 Ca 0.00 0.00 0.01 0.00 -2.96 0.00 0.00 64.34 61.39 1lm0 n VAL 68 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 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 0.00 0.76 0.02 7.55 0.00 -1.26 -4.64 105.19 107.62 1lm0 n GLY 69 Ca 0.00 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 0.23 0.26 -4.63 1.61 7.64 -1.26 -4.80 113.62 112.67 1lm0 n SER 70 Ca 0.01 0.02 -0.43 0.00 1.01 0.00 0.00 58.87 59.49 1lm0 n SER 70 Cb 0.90 -0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.91 1lm0 n SER 70 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1lm0 s MET 71 N -2.89 3.78 -0.04 1.43 1.75 -1.26 -3.69 119.30 118.38 1lm0 s MET 71 Ca 0.16 1.77 0.04 0.00 -1.25 0.00 0.00 55.69 56.41 1lm0 s MET 71 Cb 0.19 -4.07 -0.00 0.00 2.84 0.00 0.00 34.83 33.79 1lm0 s MET 71 CO 0.57 -1.32 -0.17 0.14 -0.65 0.00 0.00 175.02 173.59 1lm0 s VAL 72 N 5.34 1.45 -0.05 10.11 -7.23 -0.04 -5.01 120.40 124.97 1lm0 s VAL 72 Ca 0.75 -0.73 0.03 0.00 -1.81 0.00 0.00 61.98 60.22 1lm0 s VAL 72 Cb -0.27 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.44 1lm0 s VAL 72 CO 0.30 0.42 -0.14 0.00 -0.31 0.00 0.00 175.10 175.37 1lm0 s ARG 73 N 0.00 1.64 0.26 4.82 1.70 -1.26 -0.85 118.95 125.27 1lm0 s ARG 73 Ca -0.03 -0.48 -0.19 0.00 -0.47 0.00 0.00 55.73 54.56 1lm0 s ARG 73 Cb -0.11 -1.40 -0.09 0.00 -0.57 0.00 0.00 34.95 32.78 1lm0 s ARG 73 CO 0.02 0.13 0.74 -0.51 -1.08 0.00 0.00 175.30 174.60 1lm0 s ASP 74 N 0.33 6.98 0.00 -2.89 1.11 -0.31 -4.94 116.67 116.95 1lm0 s ASP 74 Ca -0.09 1.40 0.00 0.00 0.18 0.00 0.00 52.55 54.05 1lm0 s ASP 74 Cb -0.13 -2.42 0.00 0.00 1.07 0.00 0.00 42.92 41.45 1lm0 s ASP 74 CO 0.03 -0.05 0.46 -0.81 1.18 0.00 0.00 175.17 175.97 1lm0 n PRO 75 N 0.37 0.53 0.10 8.23 -0.04 -1.26 -0.92 135.00 142.01 1lm0 n PRO 75 Ca -0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 1lm0 n PRO 75 Cb 0.52 -1.08 0.04 0.00 -0.04 0.00 0.00 33.50 32.93 1lm0 n PRO 75 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1lm0 h ASN 76 N 0.14 0.00 0.00 3.54 2.35 -1.92 -3.48 115.58 116.21 1lm0 h ASN 76 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1lm0 h ASN 76 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1lm0 h ASN 76 CO 0.00 0.79 0.00 -1.20 -1.65 0.00 0.00 177.43 175.37 1lm0 n SER 77 N -3.59 0.00 -1.00 5.81 7.64 -0.10 -4.84 113.62 117.54 1lm0 n SER 77 Ca -0.01 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.96 1lm0 n SER 77 Cb 0.76 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 64.19 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 3.39 -3.88 -3.43 -0.00 -1.26 -3.27 117.00 108.54 1lm0 n LEU 78 Ca 0.00 -1.88 -0.22 0.00 -0.00 0.00 0.00 56.01 53.92 1lm0 n LEU 78 Cb 0.00 -0.33 -0.17 0.00 -0.00 0.00 0.00 43.42 42.92 1lm0 n LEU 78 CO 0.00 0.82 -0.41 -1.00 -0.00 0.00 0.00 177.39 176.80 1lm0 s HIS 79 N -1.06 0.88 -0.13 1.47 3.76 -1.26 -3.28 115.29 115.66 1lm0 s HIS 79 Ca 0.36 -0.28 -0.06 0.00 -0.15 0.00 0.00 55.06 54.92 1lm0 s HIS 79 Cb 0.19 -0.79 0.06 0.00 1.11 0.00 0.00 32.58 33.15 1lm0 s HIS 79 CO 0.25 -0.26 0.29 0.14 -0.85 0.00 0.00 174.74 174.32 1lm0 s VAL 80 N 1.17 -0.24 0.02 -0.90 -7.23 -0.76 -1.16 120.40 111.31 1lm0 s VAL 80 Ca -0.07 0.19 0.01 0.00 -1.81 0.00 0.00 61.98 60.31 1lm0 s VAL 80 Cb -0.14 -0.46 -0.02 0.00 0.56 0.00 0.00 36.38 36.32 1lm0 s VAL 80 CO -0.01 0.08 -0.05 0.00 -0.31 0.00 0.00 175.10 174.81 1lm0 s GLN 81 N 1.85 0.36 0.02 4.82 -2.07 -0.03 0.07 119.66 124.68 1lm0 s GLN 81 Ca -0.05 -0.48 -0.04 0.00 -1.82 0.00 0.00 55.36 52.97 1lm0 s GLN 81 Cb -0.11 -0.15 -0.01 0.00 -1.09 0.00 0.00 33.01 31.65 1lm0 s GLN 81 CO -0.10 0.02 0.07 -0.59 -1.32 0.00 0.00 175.29 173.38 1lm0 s PHE 82 N -0.94 0.18 0.09 9.60 -0.12 -0.15 -0.86 117.98 125.79 1lm0 s PHE 82 Ca -0.08 -0.43 0.03 0.00 -0.05 0.00 0.00 56.93 56.40 1lm0 s PHE 82 Cb -0.07 -0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.14 1lm0 s PHE 82 CO -0.00 -0.30 0.10 0.00 -0.05 0.00 0.00 175.22 174.97 1lm0 s ALA 83 N -2.01 3.62 -0.01 1.99 0.00 -1.24 -0.44 121.76 123.67 1lm0 s ALA 83 Ca -0.10 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 50.78 1lm0 s ALA 83 Cb -0.05 -1.47 -0.00 0.00 0.00 0.00 0.00 23.12 21.60 1lm0 s ALA 83 CO -0.02 0.72 0.10 0.54 0.00 0.00 0.00 175.76 177.10 1lm0 s VAL 84 N -1.46 0.07 0.38 0.00 0.11 0.10 -3.56 120.40 116.03 1lm0 s VAL 84 Ca 0.30 -0.55 -0.08 0.00 -2.93 0.00 0.00 61.98 58.72 1lm0 s VAL 84 Cb -0.12 -0.33 0.03 0.00 -1.53 0.00 0.00 36.38 34.43 1lm0 s VAL 84 CO 0.23 -0.30 0.64 0.00 -3.33 0.00 0.00 175.10 172.33 1lm0 n HIS 85 N 1.90 -1.90 -0.58 1.54 1.44 -0.34 -1.05 115.22 116.23 1lm0 n HIS 85 Ca -0.20 -2.16 0.00 0.00 -2.01 0.00 0.00 57.72 53.35 1lm0 n HIS 85 Cb 0.56 0.74 0.00 0.00 0.12 0.00 0.00 29.99 31.41 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 -1.57 0.73 -3.95 4.39 -0.08 -1.25 -2.12 116.55 112.69 1lm0 n ASP 86 Ca -0.04 -1.32 -0.32 0.00 -1.51 0.00 0.00 54.79 51.61 1lm0 n ASP 86 Cb 0.60 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.04 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 -0.16 -3.28 0.00 1.67 7.64 -1.26 -4.84 113.62 113.39 1lm0 n SER 87 Ca 0.00 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 59.08 1lm0 n SER 87 Cb 0.34 -2.71 0.00 0.00 -1.01 0.00 0.00 64.21 60.83 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 -4.12 0.00 -0.00 -3.43 4.77 -1.26 -4.96 117.00 108.00 1lm0 n LEU 88 Ca 0.06 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.93 1lm0 n LEU 88 Cb 0.50 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.45 1lm0 n LEU 88 CO 0.74 0.00 -0.47 1.23 -1.33 0.00 0.00 177.39 177.56 1lm0 h GLY 89 N 0.00 0.05 0.00 -0.72 0.00 -1.88 -3.51 103.07 97.01 1lm0 h GLY 89 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1lm0 h GLY 89 CO 0.00 0.12 0.00 0.61 0.00 0.00 0.00 176.54 177.27 1lm0 n GLY 90 N 1.59 -1.28 3.46 4.60 0.00 -1.26 -4.87 105.19 107.43 1lm0 n GLY 90 Ca -0.17 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.55 2.02 0.17 1.61 2.12 -1.26 -3.96 118.70 117.86 1lm0 s GLU 91 Ca 0.00 -1.01 0.06 0.00 0.36 0.00 0.00 54.97 54.38 1lm0 s GLU 91 Cb 0.00 -2.17 -0.04 0.00 0.26 0.00 0.00 34.13 32.17 1lm0 s GLU 91 CO 0.00 0.53 -0.13 -1.50 -0.54 0.00 0.00 175.26 173.62 1lm0 s ILE 92 N -0.95 1.51 -0.09 -3.70 1.10 -0.21 -4.83 121.20 114.02 1lm0 s ILE 92 Ca 0.15 -2.08 -0.01 0.00 -0.51 0.00 0.00 60.65 58.20 1lm0 s ILE 92 Cb -0.10 -1.90 -0.03 0.00 0.15 0.00 0.00 42.46 40.57 1lm0 s ILE 92 CO 0.06 -0.61 -0.05 -0.76 -2.11 0.00 0.00 174.94 171.47 1lm0 s LEU 93 N -3.12 3.27 -0.12 8.50 1.43 -1.26 -0.73 118.68 126.66 1lm0 s LEU 93 Ca 0.18 -0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 1lm0 s LEU 93 Cb -0.01 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.50 1lm0 s LEU 93 CO 0.04 0.33 -0.16 -0.69 0.23 0.00 0.00 176.35 176.10 1lm0 s VAL 94 N -0.61 1.59 -0.15 -1.59 1.01 0.41 -2.85 120.40 118.22 1lm0 s VAL 94 Ca 0.09 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 1lm0 s VAL 94 Cb -0.12 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1lm0 s VAL 94 CO 0.02 0.46 0.10 0.42 0.00 0.00 0.00 175.10 176.10 1lm0 s THR 95 N 1.01 5.17 0.23 3.92 -4.23 0.35 -0.98 115.64 121.11 1lm0 s THR 95 Ca -0.05 0.09 0.05 0.00 -1.18 0.00 0.00 61.69 60.60 1lm0 s THR 95 Cb -0.15 -3.28 -0.05 0.00 1.34 0.00 0.00 72.50 70.36 1lm0 s THR 95 CO -0.03 0.54 -0.06 -0.47 -0.54 0.00 0.00 174.62 174.07 1lm0 s TYR 96 N -0.41 1.65 0.09 3.99 6.14 0.11 -0.89 117.35 128.03 1lm0 s TYR 96 Ca 0.11 -0.76 -0.26 0.00 0.64 0.00 0.00 57.07 56.80 1lm0 s TYR 96 Cb -0.12 -0.90 0.07 0.00 0.42 0.00 0.00 41.96 41.43 1lm0 s TYR 96 CO 0.02 0.15 0.63 0.16 0.64 0.00 0.00 175.55 177.14 1lm0 s ASP 97 N -3.33 -0.60 -0.83 4.32 -4.77 -1.26 -1.83 116.67 108.37 1lm0 s ASP 97 Ca 0.26 0.25 -0.02 0.00 -3.30 0.00 0.00 52.55 49.74 1lm0 s ASP 97 Cb 0.03 0.58 -0.02 0.00 -1.09 0.00 0.00 42.92 42.42 1lm0 s ASP 97 CO 0.08 -0.84 0.76 0.47 0.70 0.00 0.00 175.17 176.34 1lm0 n ASP 98 N 0.08 -7.40 -0.03 2.11 9.92 -1.21 -4.83 116.55 115.19 1lm0 n ASP 98 Ca -0.18 -0.27 0.00 0.00 -0.53 0.00 0.00 54.79 53.81 1lm0 n ASP 98 Cb 0.62 -5.25 0.00 0.00 -0.64 0.00 0.00 41.12 35.85 1lm0 n ASP 98 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1lm0 n LEU 99 N -2.23 0.00 -3.90 0.64 4.32 -1.20 -4.91 117.00 109.72 1lm0 n LEU 99 Ca -0.02 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.88 1lm0 n LEU 99 Cb 0.54 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.25 1lm0 n LEU 99 CO 0.54 -0.32 -0.16 -0.76 -1.22 0.00 0.00 177.39 175.47 1lm0 s LEU 100 N 0.00 1.65 0.00 2.23 1.43 -1.26 -4.92 118.68 117.81 1lm0 s LEU 100 Ca 0.00 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1lm0 s LEU 100 Cb 0.00 0.79 0.00 0.00 0.03 0.00 0.00 46.19 47.01 1lm0 s LEU 100 CO 0.00 -0.61 0.05 -0.81 0.23 0.00 0.00 176.35 175.20 1lm0 n PRO 101 N 0.36 0.00 -0.76 1.29 -0.04 -1.26 -4.00 135.00 130.59 1lm0 n PRO 101 Ca -0.17 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.22 1lm0 n PRO 101 Cb 0.60 -0.38 -0.10 0.00 -0.04 0.00 0.00 33.50 33.58 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 -0.08 4.77 0.00 3.54 9.92 -1.26 -4.73 116.55 128.71 1lm0 n ASP 102 Ca 0.00 -2.35 0.00 0.00 -0.53 0.00 0.00 54.79 51.91 1lm0 n ASP 102 Cb 0.00 -1.20 0.00 0.00 -0.64 0.00 0.00 41.12 39.28 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 2.23 0.20 -2.82 0.64 -0.00 -1.26 -2.26 117.00 113.74 1lm0 n LEU 103 Ca 0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 56.25 1lm0 n LEU 103 Cb 0.71 -0.34 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 1lm0 n LEU 103 CO 0.09 -0.10 -0.43 0.33 -0.00 0.00 0.00 177.39 177.28 1lm0 n PHE 104 N -0.02 -3.35 -2.27 1.47 7.35 -1.26 -4.85 117.46 114.53 1lm0 n PHE 104 Ca 0.00 1.47 -0.32 0.00 -0.76 0.00 0.00 57.45 57.84 1lm0 n PHE 104 Cb 0.00 -3.55 -0.02 0.00 0.35 0.00 0.00 39.48 36.26 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 -1.69 3.85 0.37 -4.13 0.52 -0.96 -5.03 118.95 111.89 1lm0 s ARG 105 Ca 0.04 0.91 -0.06 0.00 -0.52 0.00 0.00 55.73 56.11 1lm0 s ARG 105 Cb -0.01 -2.12 -0.05 0.00 0.52 0.00 0.00 34.95 33.29 1lm0 s ARG 105 CO 0.67 -0.35 0.66 -1.21 0.02 0.00 0.00 175.30 175.09 1lm0 s GLU 106 N -4.33 3.63 -1.40 3.54 8.01 -1.26 -4.44 118.70 122.46 1lm0 s GLU 106 Ca 0.58 0.13 -0.04 0.00 0.01 0.00 0.00 54.97 55.65 1lm0 s GLU 106 Cb -0.10 -2.52 0.03 0.00 -4.31 0.00 0.00 34.13 27.22 1lm0 s GLU 106 CO 0.37 0.05 0.70 0.41 0.01 0.00 0.00 175.26 176.80 1lm0 n GLY 107 N -1.41 -0.32 3.03 -1.39 0.00 -1.25 -4.96 105.19 98.88 1lm0 n GLY 107 Ca -0.01 0.15 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 1lm0 n GLY 107 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1lm0 s GLN 108 N -6.30 0.48 0.35 1.61 -2.07 -1.26 -5.02 119.66 107.46 1lm0 s GLN 108 Ca 0.18 0.39 -0.29 0.00 -1.82 0.00 0.00 55.36 53.83 1lm0 s GLN 108 Cb -0.09 -0.01 -0.11 0.00 -1.09 0.00 0.00 33.01 31.70 1lm0 s GLN 108 CO 0.84 -1.00 1.51 0.20 -1.32 0.00 0.00 175.29 175.52 1lm0 s GLY 109 N 2.69 2.71 0.30 2.60 0.00 -1.26 -4.53 107.32 109.83 1lm0 s GLY 109 Ca 0.11 1.56 0.03 0.00 0.00 0.00 0.00 44.72 46.42 1lm0 s GLY 109 CO -0.27 2.32 0.17 -0.26 0.00 0.00 0.00 173.10 175.07 1lm0 s ILE 110 N -0.80 0.25 0.06 0.90 -5.25 -1.11 -4.22 121.20 111.03 1lm0 s ILE 110 Ca 0.55 -2.00 0.08 0.00 -0.99 0.00 0.00 60.65 58.30 1lm0 s ILE 110 Cb -0.46 -2.50 -0.03 0.00 2.95 0.00 0.00 42.46 42.41 1lm0 s ILE 110 CO 0.58 0.00 -0.23 0.68 -1.79 0.00 0.00 174.94 174.18 1lm0 s VAL 111 N -3.64 1.90 -0.05 8.37 -7.23 -0.84 -2.83 120.40 116.09 1lm0 s VAL 111 Ca 0.36 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 1lm0 s VAL 111 Cb 0.05 -1.65 0.02 0.00 0.56 0.00 0.00 36.38 35.36 1lm0 s VAL 111 CO 0.18 0.22 -0.03 0.00 -0.31 0.00 0.00 175.10 175.16 1lm0 s ALA 112 N -0.87 0.63 -0.03 1.32 0.00 0.31 -0.67 121.76 122.46 1lm0 s ALA 112 Ca 0.10 -0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.05 1lm0 s ALA 112 Cb -0.09 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 1lm0 s ALA 112 CO 0.03 -0.12 -0.13 -1.14 0.00 0.00 0.00 175.76 174.41 1lm0 s GLN 113 N 1.14 2.48 0.00 0.00 0.74 0.36 -0.33 119.66 124.04 1lm0 s GLN 113 Ca -0.08 -0.72 0.00 0.00 0.05 0.00 0.00 55.36 54.61 1lm0 s GLN 113 Cb -0.14 -2.40 0.00 0.00 1.10 0.00 0.00 33.01 31.57 1lm0 s GLN 113 CO -0.01 0.61 0.00 0.41 -0.55 0.00 0.00 175.29 175.75 1lm0 n GLY 114 N 2.05 -0.80 3.21 2.59 0.00 -0.24 -2.50 105.19 109.49 1lm0 n GLY 114 Ca -0.17 0.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.56 1.25 0.25 1.61 0.11 0.33 -0.41 120.40 120.98 1lm0 s VAL 115 Ca 0.00 -1.45 -0.31 0.00 -2.93 0.00 0.00 61.98 57.29 1lm0 s VAL 115 Cb 0.00 -1.26 -0.13 0.00 -1.53 0.00 0.00 36.38 33.45 1lm0 s VAL 115 CO 0.00 -0.26 1.38 0.18 -3.33 0.00 0.00 175.10 173.07 1lm0 n LEU 116 N 1.05 3.08 0.00 2.54 7.99 -0.61 -0.34 117.00 130.70 1lm0 n LEU 116 Ca -0.19 1.15 0.00 0.00 -0.01 0.00 0.00 56.01 56.96 1lm0 n LEU 116 Cb 0.55 -1.42 0.00 0.00 -0.11 0.00 0.00 43.42 42.43 1lm0 n LEU 116 CO 0.23 -0.54 0.00 0.61 -1.51 0.00 0.00 177.39 176.18 1lm0 n GLY 117 N 1.96 0.59 0.34 -0.72 0.00 -0.20 -4.67 105.19 102.50 1lm0 n GLY 117 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.63 0.00 1.61 4.11 -1.94 -3.47 114.58 114.26 1lm0 h GLU 118 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.47 1lm0 h GLU 118 Cb 0.00 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1lm0 h GLU 118 CO 0.00 -0.42 0.00 -0.40 0.07 0.00 0.00 179.01 178.26 1lm0 n ASP 119 N -5.43 0.00 0.06 3.06 5.68 -1.26 -4.96 116.55 113.70 1lm0 n ASP 119 Ca -0.09 0.00 -0.18 0.00 -0.50 0.00 0.00 54.79 54.02 1lm0 n ASP 119 Cb 0.33 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.23 1lm0 n ASP 119 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1lm0 h GLY 120 N 0.00 0.64 -4.08 6.12 0.00 -1.76 -3.42 103.07 100.57 1lm0 h GLY 120 Ca 0.00 -1.15 -0.52 0.00 0.00 0.00 0.00 47.33 45.66 1lm0 h GLY 120 CO 0.00 1.02 0.25 1.25 0.00 0.00 0.00 176.54 179.05 1lm0 s LYS 121 N -3.26 4.66 -0.23 4.80 2.47 -1.26 -4.53 119.74 122.38 1lm0 s LYS 121 Ca -0.08 1.27 -0.09 0.00 -1.56 0.00 0.00 55.97 55.52 1lm0 s LYS 121 Cb 0.08 -3.30 -0.04 0.00 -1.46 0.00 0.00 37.83 33.11 1lm0 s LYS 121 CO 0.90 0.47 0.11 -0.51 0.16 0.00 0.00 175.35 176.48 1lm0 s LEU 122 N -0.86 3.76 -0.70 5.43 2.01 -1.13 -1.03 118.68 126.16 1lm0 s LEU 122 Ca 0.39 -0.04 -0.20 0.00 0.01 0.00 0.00 54.13 54.29 1lm0 s LEU 122 Cb -0.24 -2.00 0.10 0.00 0.01 0.00 0.00 46.19 44.07 1lm0 s LEU 122 CO 0.28 0.04 0.89 0.00 1.01 0.00 0.00 176.35 178.56 1lm0 s ALA 123 N 1.21 3.34 -0.19 4.21 0.00 0.53 -0.50 121.76 130.36 1lm0 s ALA 123 Ca 0.06 -2.27 0.00 0.00 0.00 0.00 0.00 51.96 49.75 1lm0 s ALA 123 Cb -0.14 -3.76 0.02 0.00 0.00 0.00 0.00 23.12 19.24 1lm0 s ALA 123 CO 0.04 -2.63 -0.17 0.00 0.00 0.00 0.00 175.76 173.01 1lm0 s ALA 124 N 3.02 2.42 -0.21 0.00 0.00 -0.07 -0.51 121.76 126.42 1lm0 s ALA 124 Ca 0.20 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 50.93 1lm0 s ALA 124 Cb -0.17 -1.30 0.09 0.00 0.00 0.00 0.00 23.12 21.75 1lm0 s ALA 124 CO 0.03 -0.44 1.07 -2.37 0.00 0.00 0.00 175.76 174.05 1lm0 n THR 125 N 4.63 1.07 -3.92 0.00 5.66 -1.16 -3.87 114.28 116.68 1lm0 n THR 125 Ca -0.20 -1.08 -0.31 0.00 -3.05 0.00 0.00 64.05 59.41 1lm0 n THR 125 Cb 0.49 0.45 -0.13 0.00 -1.55 0.00 0.00 70.33 69.59 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 -1.13 2.06 -0.01 1.09 2.02 -1.04 -4.95 118.70 116.74 1lm0 s GLU 126 Ca 0.07 -2.62 -0.17 0.00 0.02 0.00 0.00 54.97 52.27 1lm0 s GLU 126 Cb 0.05 -3.37 -0.06 0.00 0.10 0.00 0.00 34.13 30.85 1lm0 s GLU 126 CO 0.04 -1.12 0.48 0.14 0.02 0.00 0.00 175.26 174.81 1lm0 s VAL 127 N -0.28 4.99 -0.18 2.63 -7.23 -1.26 -0.49 120.40 118.58 1lm0 s VAL 127 Ca 0.17 0.98 0.00 0.00 -1.81 0.00 0.00 61.98 61.33 1lm0 s VAL 127 Cb -0.25 -3.80 0.01 0.00 0.56 0.00 0.00 36.38 32.90 1lm0 s VAL 127 CO -0.00 0.50 -0.17 -0.76 -0.31 0.00 0.00 175.10 174.36 1lm0 s LEU 128 N -0.59 2.30 -0.21 1.32 2.01 0.16 -4.94 118.68 118.73 1lm0 s LEU 128 Ca 0.26 -0.58 -0.26 0.00 0.01 0.00 0.00 54.13 53.55 1lm0 s LEU 128 Cb -0.17 -1.53 -0.00 0.00 0.01 0.00 0.00 46.19 44.49 1lm0 s LEU 128 CO 0.14 0.01 0.90 0.00 1.01 0.00 0.00 176.35 178.41 1lm0 s ALA 129 N 1.24 3.60 -0.08 4.21 0.00 -1.26 -1.99 121.76 127.48 1lm0 s ALA 129 Ca 0.03 0.04 0.14 0.00 0.00 0.00 0.00 51.96 52.17 1lm0 s ALA 129 Cb -0.14 -3.35 0.29 0.00 0.00 0.00 0.00 23.12 19.92 1lm0 s ALA 129 CO -0.09 -0.86 1.14 0.36 0.00 0.00 0.00 175.76 176.31 1lm0 n LYS 130 N 5.79 0.66 -3.01 0.00 2.85 -1.26 -4.95 118.16 118.24 1lm0 n LYS 130 Ca 0.07 -2.19 -0.10 0.00 -1.05 0.00 0.00 58.31 55.04 1lm0 n LYS 130 Cb 0.48 -0.84 -0.03 0.00 -0.65 0.00 0.00 35.03 33.99 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 -1.41 -0.89 0.00 5.58 3.76 -1.26 -5.07 115.29 116.00 1lm0 s HIS 131 Ca 0.26 -0.90 0.00 0.00 -0.15 0.00 0.00 55.06 54.27 1lm0 s HIS 131 Cb 0.26 -0.03 0.00 0.00 1.11 0.00 0.00 32.58 33.92 1lm0 s HIS 131 CO -0.06 -1.14 0.40 -0.25 -0.85 0.00 0.00 174.74 172.84