#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j86 n PRO 2 N 0.00 1.63 -1.76 5.55 -0.02 -1.26 -4.73 135.00 134.40 1j86 n PRO 2 Ca 0.00 -1.07 -0.35 0.00 -2.02 0.00 0.00 63.50 60.06 1j86 n PRO 2 Cb 0.00 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 1j86 n PRO 2 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1j86 n GLN 3 N 3.67 3.79 0.00 -0.52 1.13 -1.26 -4.72 117.38 119.48 1j86 n GLN 3 Ca 0.35 -2.96 0.00 0.00 -1.94 0.00 0.00 57.00 52.45 1j86 n GLN 3 Cb 0.26 -2.47 0.00 0.00 0.11 0.00 0.00 30.24 28.14 1j86 n GLN 3 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1j86 n LYS 4 N 1.60 0.00 -1.48 -1.09 2.85 -1.26 -3.62 118.16 115.16 1j86 n LYS 4 Ca 0.59 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 57.48 1j86 n LYS 4 Cb 0.36 0.00 0.07 0.00 -0.65 0.00 0.00 35.03 34.82 1j86 n LYS 4 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1j86 n PRO 5 N -0.03 0.68 -4.07 -1.58 -0.02 -1.26 -4.93 135.00 123.78 1j86 n PRO 5 Ca 0.00 0.28 -0.32 0.00 -2.02 0.00 0.00 63.50 61.44 1j86 n PRO 5 Cb 0.00 -2.22 -0.15 0.00 -0.02 0.00 0.00 33.50 31.10 1j86 n PRO 5 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1j86 s LYS 6 N -3.14 2.40 0.25 -0.52 2.47 -0.58 -4.03 119.74 116.58 1j86 s LYS 6 Ca 0.75 -1.18 -0.30 0.00 -1.56 0.00 0.00 55.97 53.68 1j86 s LYS 6 Cb -0.37 -2.78 -0.09 0.00 -1.46 0.00 0.00 37.83 33.13 1j86 s LYS 6 CO 0.48 -0.47 1.18 0.08 0.16 0.00 0.00 175.35 176.78 1j86 s VAL 7 N 1.17 3.36 0.07 4.02 1.01 -1.26 -3.61 120.40 125.16 1j86 s VAL 7 Ca -0.05 1.27 0.06 0.00 0.00 0.00 0.00 61.98 63.26 1j86 s VAL 7 Cb -0.18 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1j86 s VAL 7 CO -0.07 0.26 -0.17 -0.94 0.00 0.00 0.00 175.10 174.18 1j86 s SER 8 N -0.40 2.04 0.01 3.32 1.04 -0.79 -4.97 113.70 113.94 1j86 s SER 8 Ca 0.49 -0.60 0.05 0.00 0.48 0.00 0.00 55.95 56.36 1j86 s SER 8 Cb -0.34 -0.10 -0.03 0.00 0.10 0.00 0.00 66.02 65.65 1j86 s SER 8 CO 0.42 0.01 -0.13 -0.76 0.98 0.00 0.00 173.24 173.76 1j86 s LEU 9 N -1.64 2.85 -0.16 2.42 1.43 -1.26 -1.39 118.68 120.93 1j86 s LEU 9 Ca 0.02 -0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 52.80 1j86 s LEU 9 Cb -0.09 -1.65 0.06 0.00 0.03 0.00 0.00 46.19 44.54 1j86 s LEU 9 CO 0.03 0.28 0.09 0.21 0.23 0.00 0.00 176.35 177.18 1j86 s ASN 10 N -1.32 2.30 0.70 2.29 2.47 -0.77 -2.36 114.94 118.25 1j86 s ASN 10 Ca 0.15 -0.58 -0.15 0.00 0.42 0.00 0.00 52.86 52.70 1j86 s ASN 10 Cb -0.11 -0.24 0.02 0.00 -1.45 0.00 0.00 41.25 39.48 1j86 s ASN 10 CO 0.05 -0.35 1.15 -2.84 -3.72 0.00 0.00 177.10 171.40 1j86 s PRO 11 N 2.14 2.43 0.55 0.43 0.02 -1.26 -1.22 135.00 138.08 1j86 s PRO 11 Ca 0.02 1.55 0.39 0.00 0.02 0.00 0.00 61.00 62.99 1j86 s PRO 11 Cb -0.16 -1.89 1.59 0.00 0.02 0.00 0.00 34.50 34.06 1j86 s PRO 11 CO -0.09 -1.57 1.75 -1.35 -0.33 0.00 0.00 177.00 175.42 1j86 h PRO 12 N -0.21 0.00 -6.10 5.54 0.11 -1.86 -3.43 132.00 126.05 1j86 h PRO 12 Ca -0.47 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 64.99 1j86 h PRO 12 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1j86 h PRO 12 CO 0.52 0.00 1.26 0.91 -0.21 0.00 0.00 178.00 180.47 1j86 n TRP 13 N -4.11 1.95 1.19 0.65 5.03 -1.26 -4.77 117.44 116.12 1j86 n TRP 13 Ca 0.29 0.17 0.13 0.00 3.03 0.00 0.00 57.50 61.11 1j86 n TRP 13 Cb 1.40 -2.59 0.30 0.00 -1.03 0.00 0.00 31.31 29.39 1j86 n TRP 13 CO 0.00 0.00 0.00 0.27 -0.03 0.00 0.00 177.69 177.93 1j86 n ASN 14 N 8.43 1.14 -4.12 -0.99 6.94 -1.26 -4.68 115.26 120.72 1j86 n ASN 14 Ca 0.32 -0.94 -0.33 0.00 -0.02 0.00 0.00 54.58 53.61 1j86 n ASN 14 Cb 0.26 0.21 -0.16 0.00 -2.36 0.00 0.00 39.78 37.74 1j86 n ASN 14 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1j86 s ARG 15 N -2.54 2.82 0.05 -3.83 0.52 -1.26 -1.65 118.95 113.06 1j86 s ARG 15 Ca 0.22 -0.95 0.01 0.00 -0.52 0.00 0.00 55.73 54.49 1j86 s ARG 15 Cb 0.19 -2.68 -0.03 0.00 0.52 0.00 0.00 34.95 32.95 1j86 s ARG 15 CO 0.55 -0.30 -0.05 0.96 0.02 0.00 0.00 175.30 176.47 1j86 s ILE 16 N 1.25 0.38 0.58 1.52 -4.36 -1.00 -4.81 121.20 114.77 1j86 s ILE 16 Ca 0.01 -1.45 -0.17 0.00 -0.26 0.00 0.00 60.65 58.78 1j86 s ILE 16 Cb -0.15 -1.04 -0.04 0.00 1.25 0.00 0.00 42.46 42.48 1j86 s ILE 16 CO -0.10 -0.71 1.10 -0.36 0.24 0.00 0.00 174.94 175.11 1j86 s PHE 17 N -2.66 2.73 0.31 1.37 2.99 -1.26 -0.21 117.98 121.25 1j86 s PHE 17 Ca -0.01 1.55 -0.30 0.00 0.00 0.00 0.00 56.93 58.17 1j86 s PHE 17 Cb -0.01 -3.19 -0.12 0.00 0.00 0.00 0.00 43.02 39.70 1j86 s PHE 17 CO -0.04 -1.48 1.57 1.17 -0.00 0.00 0.00 175.22 176.44 1j86 n LYS 18 N -1.75 2.69 0.00 0.44 4.81 0.23 -2.05 118.16 122.53 1j86 n LYS 18 Ca 0.11 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.50 1j86 n LYS 18 Cb 0.52 -2.72 0.00 0.00 0.02 0.00 0.00 35.03 32.84 1j86 n LYS 18 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1j86 n GLY 19 N 1.82 1.58 3.92 3.14 0.00 0.35 -4.87 105.19 111.13 1j86 n GLY 19 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1j86 n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j86 s GLU 20 N -0.53 1.49 0.28 1.61 2.02 -0.87 -3.64 118.70 119.05 1j86 s GLU 20 Ca 0.00 -0.17 0.09 0.00 0.02 0.00 0.00 54.97 54.91 1j86 s GLU 20 Cb 0.00 -1.95 -0.04 0.00 0.10 0.00 0.00 34.13 32.24 1j86 s GLU 20 CO 0.00 -1.86 0.01 -0.80 0.02 0.00 0.00 175.26 172.64 1j86 s ASN 21 N -4.69 4.53 -0.20 -0.19 0.01 -1.26 -0.74 114.94 112.40 1j86 s ASN 21 Ca 0.66 -0.68 -0.28 0.00 -0.71 0.00 0.00 52.86 51.85 1j86 s ASN 21 Cb -0.08 -0.81 0.11 0.00 0.41 0.00 0.00 41.25 40.88 1j86 s ASN 21 CO 0.50 -0.05 0.92 0.54 -1.51 0.00 0.00 177.10 177.50 1j86 s VAL 22 N -2.35 0.00 -0.15 1.60 0.11 -0.87 -4.70 120.40 114.04 1j86 s VAL 22 Ca 0.32 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 1j86 s VAL 22 Cb -0.06 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.82 1j86 s VAL 22 CO 0.20 0.00 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.95 1j86 s THR 23 N -0.44 1.55 -0.01 5.04 2.01 -0.36 -0.97 115.64 122.46 1j86 s THR 23 Ca -0.01 -0.66 -0.21 0.00 0.31 0.00 0.00 61.69 61.12 1j86 s THR 23 Cb -0.03 -1.48 -0.05 0.00 0.01 0.00 0.00 72.50 70.95 1j86 s THR 23 CO 0.00 0.42 0.62 -0.76 -0.69 0.00 0.00 174.62 174.21 1j86 s LEU 24 N 1.49 4.40 -0.07 4.42 1.43 0.22 -1.84 118.68 128.72 1j86 s LEU 24 Ca 0.04 1.18 0.03 0.00 -1.03 0.00 0.00 54.13 54.35 1j86 s LEU 24 Cb -0.13 -2.97 0.01 0.00 0.03 0.00 0.00 46.19 43.13 1j86 s LEU 24 CO -0.10 0.05 -0.16 -0.89 0.23 0.00 0.00 176.35 175.48 1j86 s THR 25 N 0.02 1.40 -0.42 5.49 2.01 -0.49 0.45 115.64 124.10 1j86 s THR 25 Ca 0.33 -0.65 -0.16 0.00 0.31 0.00 0.00 61.69 61.52 1j86 s THR 25 Cb -0.18 -1.24 0.02 0.00 0.01 0.00 0.00 72.50 71.11 1j86 s THR 25 CO 0.18 0.41 0.36 0.00 -0.69 0.00 0.00 174.62 174.88 1j86 s ASN 27 N 1.81 2.08 0.02 0.00 2.20 -1.24 -4.91 114.94 114.91 1j86 s ASN 27 Ca 0.08 -0.62 -0.01 0.00 -0.94 0.00 0.00 52.86 51.37 1j86 s ASN 27 Cb -0.19 -0.10 0.00 0.00 -2.00 0.00 0.00 41.25 38.97 1j86 s ASN 27 CO 0.11 0.00 0.04 0.61 -2.94 0.00 0.00 177.10 174.93 1j86 n GLY 28 N 1.29 2.15 3.70 0.45 0.00 -1.26 -1.53 105.19 109.99 1j86 n GLY 28 Ca -0.20 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 1j86 n GLY 28 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j86 s ASN 29 N -1.12 7.13 0.00 1.61 0.01 -1.26 -4.88 114.94 116.43 1j86 s ASN 29 Ca 0.01 1.83 -0.00 0.00 -0.71 0.00 0.00 52.86 53.98 1j86 s ASN 29 Cb -0.00 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 39.07 1j86 s ASN 29 CO 0.01 -0.48 1.13 0.59 -1.51 0.00 0.00 177.10 176.84 1j86 n ASN 30 N 4.57 2.64 -0.03 -1.22 3.02 -1.26 -4.03 115.26 118.95 1j86 n ASN 30 Ca 0.09 -1.74 -0.15 0.00 -0.03 0.00 0.00 54.58 52.76 1j86 n ASN 30 Cb 0.47 -0.58 -0.09 0.00 -0.61 0.00 0.00 39.78 38.97 1j86 n ASN 30 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1j86 h PHE 31 N 2.79 0.49 -4.19 3.10 3.57 -2.01 -3.43 116.94 117.26 1j86 h PHE 31 Ca 0.01 -0.21 -0.69 0.00 3.53 0.00 0.00 57.97 60.61 1j86 h PHE 31 Cb 0.53 -0.08 -0.27 0.00 2.79 0.00 0.00 35.95 38.92 1j86 h PHE 31 CO 0.50 0.94 -0.82 -0.06 -2.23 0.00 0.00 178.31 176.64 1j86 s PHE 32 N -3.69 2.55 0.59 0.41 0.40 -1.26 -5.11 117.98 111.87 1j86 s PHE 32 Ca -0.14 -0.35 -0.19 0.00 -0.60 0.00 0.00 56.93 55.65 1j86 s PHE 32 Cb 0.04 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 1j86 s PHE 32 CO 0.78 0.04 1.24 -1.21 0.70 0.00 0.00 175.22 176.77 1j86 s GLU 33 N -0.56 2.97 -0.23 0.44 2.02 -1.26 -5.02 118.70 117.06 1j86 s GLU 33 Ca 0.08 1.92 -0.01 0.00 0.02 0.00 0.00 54.97 56.98 1j86 s GLU 33 Cb -0.11 -1.99 0.07 0.00 0.10 0.00 0.00 34.13 32.20 1j86 s GLU 33 CO 0.01 -1.23 0.01 0.08 0.02 0.00 0.00 175.26 174.14 1j86 s VAL 34 N -1.51 1.01 -0.05 2.63 1.01 -1.26 -4.96 120.40 117.26 1j86 s VAL 34 Ca 0.77 -0.97 0.22 0.00 0.00 0.00 0.00 61.98 61.99 1j86 s VAL 34 Cb -0.33 -1.45 -0.32 0.00 0.00 0.00 0.00 36.38 34.28 1j86 s VAL 34 CO 0.36 -0.23 0.45 -1.54 0.00 0.00 0.00 175.10 174.14 1j86 n SER 35 N 4.86 0.03 -4.19 3.32 3.41 -1.26 -5.01 113.62 114.77 1j86 n SER 35 Ca -0.09 0.01 -0.12 0.00 -0.26 0.00 0.00 58.87 58.41 1j86 n SER 35 Cb 0.45 1.84 -0.10 0.00 -0.26 0.00 0.00 64.21 66.14 1j86 n SER 35 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1j86 s SER 36 N -4.66 0.17 0.10 4.04 1.04 -1.26 -5.01 113.70 108.12 1j86 s SER 36 Ca -0.08 -1.35 -0.01 0.00 0.48 0.00 0.00 55.95 54.99 1j86 s SER 36 Cb 0.13 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 1j86 s SER 36 CO 0.90 -0.83 0.02 -0.89 0.98 0.00 0.00 173.24 173.42 1j86 s THR 37 N -4.14 0.15 -0.12 2.02 2.01 -1.01 -4.76 115.64 109.78 1j86 s THR 37 Ca 0.36 -1.86 -0.00 0.00 0.31 0.00 0.00 61.69 60.50 1j86 s THR 37 Cb 0.07 -1.82 0.02 0.00 0.01 0.00 0.00 72.50 70.78 1j86 s THR 37 CO 0.10 -0.68 -0.09 -0.54 -0.69 0.00 0.00 174.62 172.72 1j86 s LYS 38 N -3.99 1.71 0.05 4.92 3.01 -0.95 -4.59 119.74 119.89 1j86 s LYS 38 Ca 0.17 -0.33 0.01 0.00 -1.01 0.00 0.00 55.97 54.81 1j86 s LYS 38 Cb 0.08 -1.73 -0.04 0.00 -1.01 0.00 0.00 37.83 35.13 1j86 s LYS 38 CO -0.03 -0.26 0.11 -1.58 0.51 0.00 0.00 175.35 174.10 1j86 s TRP 39 N 1.65 3.30 -0.23 3.18 0.52 -1.26 -0.48 118.94 125.63 1j86 s TRP 39 Ca 0.05 0.16 -0.03 0.00 0.02 0.00 0.00 56.10 56.30 1j86 s TRP 39 Cb -0.13 -1.69 0.08 0.00 -1.15 0.00 0.00 33.47 30.58 1j86 s TRP 39 CO -0.09 0.55 0.08 -0.06 0.02 0.00 0.00 176.95 177.45 1j86 s PHE 40 N -1.37 0.84 -0.12 -1.98 0.40 -0.33 -1.11 117.98 114.31 1j86 s PHE 40 Ca 0.29 -0.92 -0.18 0.00 -0.60 0.00 0.00 56.93 55.52 1j86 s PHE 40 Cb -0.12 -1.06 -0.04 0.00 0.51 0.00 0.00 43.02 42.30 1j86 s PHE 40 CO 0.21 -0.69 0.49 -1.58 0.70 0.00 0.00 175.22 174.36 1j86 s HIS 41 N 1.92 3.51 -1.22 0.36 2.46 0.11 -2.29 115.29 120.15 1j86 s HIS 41 Ca 0.04 0.91 -0.07 0.00 0.47 0.00 0.00 55.06 56.40 1j86 s HIS 41 Cb -0.17 -2.57 0.01 0.00 -0.13 0.00 0.00 32.58 29.73 1j86 s HIS 41 CO -0.17 0.16 0.13 0.09 -2.47 0.00 0.00 174.74 172.48 1j86 n ASN 42 N 3.70 -0.20 0.00 9.88 3.02 0.78 0.73 115.26 133.17 1j86 n ASN 42 Ca -0.07 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 1j86 n ASN 42 Cb 0.52 -1.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 1j86 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j86 n GLY 43 N -2.22 1.81 3.85 7.41 0.00 -1.26 -4.97 105.19 109.81 1j86 n GLY 43 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1j86 n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j86 s SER 44 N -1.64 6.80 0.08 1.61 0.01 0.22 -4.96 113.70 115.82 1j86 s SER 44 Ca 0.00 1.14 -0.31 0.00 1.31 0.00 0.00 55.95 58.09 1j86 s SER 44 Cb 0.00 -2.31 -0.06 0.00 0.21 0.00 0.00 66.02 63.86 1j86 s SER 44 CO 0.00 -0.03 1.21 -0.22 0.41 0.00 0.00 173.24 174.61 1j86 s LEU 45 N -2.42 4.38 0.73 2.44 2.96 -1.26 -0.71 118.68 124.79 1j86 s LEU 45 Ca 0.45 2.06 -0.06 0.00 -0.22 0.00 0.00 54.13 56.35 1j86 s LEU 45 Cb -0.13 -3.58 0.09 0.00 0.50 0.00 0.00 46.19 43.06 1j86 s LEU 45 CO 0.20 -0.46 1.03 -0.55 -1.32 0.00 0.00 176.35 175.25 1j86 s SER 46 N 0.92 4.57 0.18 3.68 0.15 -0.27 -4.90 113.70 118.04 1j86 s SER 46 Ca 0.58 0.27 0.21 0.00 0.70 0.00 0.00 55.95 57.71 1j86 s SER 46 Cb -0.30 -0.83 -0.02 0.00 -1.71 0.00 0.00 66.02 63.16 1j86 s SER 46 CO 0.30 -1.74 1.02 -0.33 1.20 0.00 0.00 173.24 173.69 1j86 h GLU 47 N -0.67 0.00 -6.56 5.44 5.08 -1.96 -3.44 114.58 112.48 1j86 h GLU 47 Ca -0.43 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.37 1j86 h GLU 47 Cb 1.30 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.60 1j86 h GLU 47 CO 0.54 0.09 0.90 -1.91 -1.00 0.00 0.00 179.01 177.63 1j86 n GLU 48 N -2.77 2.41 0.00 2.33 4.07 -1.26 -4.90 120.64 120.52 1j86 n GLU 48 Ca -0.02 0.87 0.00 0.00 -0.06 0.00 0.00 57.16 57.95 1j86 n GLU 48 Cb 0.63 -2.68 0.00 0.00 -0.06 0.00 0.00 31.44 29.34 1j86 n GLU 48 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1j86 n THR 49 N 3.72 0.00 -2.95 6.31 -2.24 -1.26 -4.23 114.28 113.62 1j86 n THR 49 Ca 0.17 -0.48 -0.34 0.00 -2.27 0.00 0.00 64.05 61.13 1j86 n THR 49 Cb 0.31 1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 69.50 1j86 n THR 49 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1j86 s ASN 50 N -0.25 6.97 0.00 3.42 0.01 -1.26 -2.41 114.94 121.41 1j86 s ASN 50 Ca 0.00 1.55 0.00 0.00 -0.71 0.00 0.00 52.86 53.70 1j86 s ASN 50 Cb 0.00 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 39.18 1j86 s ASN 50 CO 0.00 -0.21 0.70 -1.54 -1.51 0.00 0.00 177.10 174.54 1j86 n SER 51 N -0.18 0.00 -3.96 -1.22 3.41 -1.26 -4.24 113.62 106.17 1j86 n SER 51 Ca 0.04 0.21 -0.30 0.00 -0.26 0.00 0.00 58.87 58.56 1j86 n SER 51 Cb 0.53 -0.21 -0.16 0.00 -0.26 0.00 0.00 64.21 64.11 1j86 n SER 51 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1j86 s SER 52 N -2.39 3.31 -0.28 4.04 0.01 -1.26 -1.00 113.70 116.12 1j86 s SER 52 Ca 0.00 -0.87 -0.15 0.00 1.31 0.00 0.00 55.95 56.24 1j86 s SER 52 Cb 0.00 -1.15 -0.03 0.00 0.21 0.00 0.00 66.02 65.05 1j86 s SER 52 CO 0.00 -0.17 0.38 -0.22 0.41 0.00 0.00 173.24 173.64 1j86 s LEU 53 N 1.45 4.10 -0.03 2.44 2.96 0.17 -4.93 118.68 124.85 1j86 s LEU 53 Ca -0.01 0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 54.08 1j86 s LEU 53 Cb -0.16 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 1j86 s LEU 53 CO -0.08 -0.22 0.12 0.20 -1.32 0.00 0.00 176.35 175.05 1j86 s ASN 54 N 1.66 5.97 -0.21 3.68 0.01 -1.26 0.69 114.94 125.49 1j86 s ASN 54 Ca 0.15 0.26 0.01 0.00 -0.71 0.00 0.00 52.86 52.56 1j86 s ASN 54 Cb -0.16 -1.80 0.05 0.00 0.41 0.00 0.00 41.25 39.74 1j86 s ASN 54 CO 0.10 0.30 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.26 1j86 s ILE 55 N -1.19 1.66 -0.18 0.60 1.01 -0.14 -4.99 121.20 117.97 1j86 s ILE 55 Ca 0.22 -1.08 -0.04 0.00 0.00 0.00 0.00 60.65 59.75 1j86 s ILE 55 Cb -0.12 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 1j86 s ILE 55 CO 0.13 0.12 -0.02 -0.69 0.00 0.00 0.00 174.94 174.49 1j86 s VAL 56 N 1.38 3.94 -1.08 2.92 1.01 -1.26 -2.05 120.40 125.26 1j86 s VAL 56 Ca -0.02 -0.33 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 1j86 s VAL 56 Cb -0.17 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 1j86 s VAL 56 CO -0.08 0.46 0.83 0.59 0.00 0.00 0.00 175.10 176.90 1j86 n ASN 57 N 3.91 -5.91 -4.52 3.32 3.02 -1.11 -4.76 115.26 109.22 1j86 n ASN 57 Ca -0.17 -0.86 -0.55 0.00 -0.03 0.00 0.00 54.58 52.96 1j86 n ASN 57 Cb 0.52 -4.03 -0.07 0.00 -0.61 0.00 0.00 39.78 35.59 1j86 n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j86 n ALA 58 N -3.69 -2.67 -2.14 5.41 0.00 0.08 -4.21 120.51 113.29 1j86 n ALA 58 Ca -0.09 0.55 -0.20 0.00 0.00 0.00 0.00 53.44 53.71 1j86 n ALA 58 Cb 0.60 -1.84 -0.01 0.00 0.00 0.00 0.00 19.45 18.20 1j86 n ALA 58 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1j86 s LYS 59 N -0.06 2.60 0.32 0.00 1.02 -1.26 0.13 119.74 122.48 1j86 s LYS 59 Ca 0.84 -1.47 0.09 0.00 0.02 0.00 0.00 55.97 55.45 1j86 s LYS 59 Cb -1.12 -2.51 0.52 0.00 -0.52 0.00 0.00 37.83 34.20 1j86 s LYS 59 CO 0.54 -0.30 1.73 0.74 -0.92 0.00 0.00 175.35 177.14 1j86 h PHE 60 N 0.81 0.16 0.00 3.18 -1.00 -1.94 -1.72 116.94 116.44 1j86 h PHE 60 Ca -0.40 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.34 1j86 h PHE 60 Cb 1.27 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.80 1j86 h PHE 60 CO 0.49 0.54 0.00 0.93 -1.61 0.00 0.00 178.31 178.67 1j86 h GLU 61 N 0.12 0.00 0.00 1.51 3.07 -1.97 0.16 114.58 117.47 1j86 h GLU 61 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1j86 h GLU 61 Cb 0.80 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1j86 h GLU 61 CO 0.06 0.00 0.00 -0.44 -1.40 0.00 0.00 179.01 177.23 1j86 h ASP 62 N 0.00 0.00 -3.15 1.42 3.32 -1.69 -3.45 116.42 112.86 1j86 h ASP 62 Ca 0.00 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.62 1j86 h ASP 62 Cb 0.02 0.00 0.22 0.00 0.22 0.00 0.00 39.33 39.79 1j86 h ASP 62 CO 0.00 0.00 -0.02 -0.44 -1.72 0.00 0.00 179.24 177.06 1j86 s SER 63 N -5.13 0.65 0.00 6.45 0.01 0.57 -4.89 113.70 111.37 1j86 s SER 63 Ca 0.08 1.53 0.00 0.00 1.31 0.00 0.00 55.95 58.87 1j86 s SER 63 Cb 0.09 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1j86 s SER 63 CO 0.60 -4.41 0.00 0.61 0.41 0.00 0.00 173.24 170.45 1j86 n GLY 64 N 1.04 0.73 3.40 3.44 0.00 0.20 -4.91 105.19 109.09 1j86 n GLY 64 Ca 0.02 -2.10 -0.34 0.00 0.00 0.00 0.00 46.02 43.60 1j86 n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j86 s GLU 65 N -0.89 3.52 0.00 1.61 2.12 -1.26 -0.64 118.70 123.15 1j86 s GLU 65 Ca 0.00 -0.58 0.06 0.00 0.36 0.00 0.00 54.97 54.82 1j86 s GLU 65 Cb 0.00 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 31.40 1j86 s GLU 65 CO 0.00 0.02 -0.19 0.71 -0.54 0.00 0.00 175.26 175.26 1j86 s TYR 66 N 0.94 2.54 -0.29 5.30 1.51 0.13 -0.16 117.35 127.34 1j86 s TYR 66 Ca 0.00 -0.27 -0.16 0.00 -1.01 0.00 0.00 57.07 55.63 1j86 s TYR 66 Cb -0.15 -1.51 0.11 0.00 -0.11 0.00 0.00 41.96 40.30 1j86 s TYR 66 CO 0.01 0.17 0.80 -1.59 -1.11 0.00 0.00 175.55 173.84 1j86 s LYS 67 N -1.07 0.57 0.35 -0.62 -2.85 -0.97 -0.30 119.74 114.84 1j86 s LYS 67 Ca 0.13 1.01 0.07 0.00 -1.00 0.00 0.00 55.97 56.18 1j86 s LYS 67 Cb -0.10 0.17 -0.01 0.00 -2.06 0.00 0.00 37.83 35.82 1j86 s LYS 67 CO 0.03 -0.13 0.43 0.00 0.10 0.00 0.00 175.35 175.78 1j86 s GLN 69 N -4.14 0.45 0.30 0.00 -2.07 0.37 -1.67 119.66 112.90 1j86 s GLN 69 Ca 0.45 0.94 0.06 0.00 -1.82 0.00 0.00 55.36 55.00 1j86 s GLN 69 Cb -0.08 0.10 -0.02 0.00 -1.09 0.00 0.00 33.01 31.92 1j86 s GLN 69 CO 0.30 -0.17 0.39 -1.01 -1.32 0.00 0.00 175.29 173.48 1j86 s HIS 70 N 1.71 3.19 0.76 9.60 3.76 -1.26 -2.25 115.29 130.80 1j86 s HIS 70 Ca -0.08 -0.16 -0.13 0.00 -0.15 0.00 0.00 55.06 54.54 1j86 s HIS 70 Cb -0.08 -1.80 0.06 0.00 1.11 0.00 0.00 32.58 31.86 1j86 s HIS 70 CO -0.14 0.19 1.14 -1.14 -0.85 0.00 0.00 174.74 173.93 1j86 s GLN 71 N -4.07 2.10 -0.83 1.40 0.74 -1.26 -3.37 119.66 114.37 1j86 s GLN 71 Ca 0.40 1.47 0.00 0.00 0.05 0.00 0.00 55.36 57.28 1j86 s GLN 71 Cb -0.09 -1.86 0.00 0.00 1.10 0.00 0.00 33.01 32.16 1j86 s GLN 71 CO 0.29 -1.80 0.00 1.04 -0.55 0.00 0.00 175.29 174.27 1j86 n GLN 72 N -3.17 -1.67 -3.91 1.67 6.02 -1.26 -4.92 117.38 110.14 1j86 n GLN 72 Ca 0.11 0.65 -0.10 0.00 -0.01 0.00 0.00 57.00 57.65 1j86 n GLN 72 Cb 0.52 -4.78 -0.10 0.00 1.02 0.00 0.00 30.24 26.90 1j86 n GLN 72 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1j86 s VAL 73 N -1.53 0.11 1.15 5.09 1.01 -1.22 -5.11 120.40 119.90 1j86 s VAL 73 Ca 0.00 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 60.90 1j86 s VAL 73 Cb 0.00 -0.65 0.18 0.00 0.00 0.00 0.00 36.38 35.92 1j86 s VAL 73 CO 0.00 -0.50 0.41 0.59 0.00 0.00 0.00 175.10 175.59 1j86 n ASN 74 N 1.12 -2.15 -4.72 3.32 3.02 -1.24 -4.58 115.26 110.03 1j86 n ASN 74 Ca -0.21 -0.14 -0.42 0.00 -0.03 0.00 0.00 54.58 53.78 1j86 n ASN 74 Cb 0.57 -1.08 -0.03 0.00 -0.61 0.00 0.00 39.78 38.63 1j86 n ASN 74 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1j86 s GLU 75 N -3.82 4.55 0.95 3.52 2.12 -1.26 -4.56 118.70 120.21 1j86 s GLU 75 Ca 0.61 1.60 -0.12 0.00 0.36 0.00 0.00 54.97 57.42 1j86 s GLU 75 Cb -0.17 -3.37 0.07 0.00 0.26 0.00 0.00 34.13 30.92 1j86 s GLU 75 CO 0.66 -0.04 0.59 -1.13 -0.54 0.00 0.00 175.26 174.80 1j86 n SER 76 N 3.37 -1.48 -4.80 -1.70 3.41 -0.67 -4.87 113.62 106.89 1j86 n SER 76 Ca 0.05 0.32 -0.31 0.00 -0.26 0.00 0.00 58.87 58.68 1j86 n SER 76 Cb 0.48 -1.27 0.07 0.00 -0.26 0.00 0.00 64.21 63.24 1j86 n SER 76 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1j86 s GLU 77 N -3.90 2.55 0.56 4.33 8.01 -1.26 -4.80 118.70 124.20 1j86 s GLU 77 Ca 0.60 1.00 -0.16 0.00 0.01 0.00 0.00 54.97 56.42 1j86 s GLU 77 Cb -0.21 -1.94 -0.05 0.00 -4.31 0.00 0.00 34.13 27.61 1j86 s GLU 77 CO 0.65 -1.39 1.03 -2.14 0.01 0.00 0.00 175.26 173.42 1j86 s PRO 78 N -5.00 3.59 -0.06 0.39 0.02 -1.26 -4.73 135.00 127.95 1j86 s PRO 78 Ca 0.60 1.07 -0.01 0.00 0.02 0.00 0.00 61.00 62.67 1j86 s PRO 78 Cb -0.15 -2.08 0.03 0.00 0.02 0.00 0.00 34.50 32.32 1j86 s PRO 78 CO 0.55 -0.58 0.02 0.08 -0.33 0.00 0.00 177.00 176.74 1j86 s VAL 79 N -2.58 0.23 -0.26 3.83 1.01 0.58 -4.97 120.40 118.24 1j86 s VAL 79 Ca 0.61 0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.67 1j86 s VAL 79 Cb -0.13 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 1j86 s VAL 79 CO 0.36 0.23 0.19 -0.31 0.00 0.00 0.00 175.10 175.57 1j86 s TYR 80 N 1.90 3.27 -0.11 5.22 1.51 -1.26 0.21 117.35 128.08 1j86 s TYR 80 Ca 0.03 0.19 -0.02 0.00 -1.01 0.00 0.00 57.07 56.26 1j86 s TYR 80 Cb -0.12 -2.34 -0.03 0.00 -0.11 0.00 0.00 41.96 39.35 1j86 s TYR 80 CO -0.04 -0.06 -0.04 -1.17 -1.11 0.00 0.00 175.55 173.13 1j86 s LEU 81 N 1.45 3.30 -0.17 -1.29 2.96 0.18 -4.81 118.68 120.30 1j86 s LEU 81 Ca 0.08 -0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 1j86 s LEU 81 Cb -0.15 -1.76 0.05 0.00 0.50 0.00 0.00 46.19 44.83 1j86 s LEU 81 CO 0.08 0.28 0.02 -0.70 -1.32 0.00 0.00 176.35 174.71 1j86 s GLU 82 N -0.30 0.75 -0.02 1.98 2.12 -0.66 0.60 118.70 123.18 1j86 s GLU 82 Ca 0.05 -0.35 -0.30 0.00 0.36 0.00 0.00 54.97 54.73 1j86 s GLU 82 Cb -0.12 -1.91 -0.03 0.00 0.26 0.00 0.00 34.13 32.32 1j86 s GLU 82 CO 0.02 -0.56 1.03 0.08 -0.54 0.00 0.00 175.26 175.29 1j86 s VAL 83 N 1.84 4.71 0.50 3.70 1.01 -1.26 -2.36 120.40 128.54 1j86 s VAL 83 Ca 0.00 1.95 0.04 0.00 0.00 0.00 0.00 61.98 63.97 1j86 s VAL 83 Cb -0.16 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 1j86 s VAL 83 CO -0.07 0.11 0.15 -0.36 0.00 0.00 0.00 175.10 174.93 1j86 s PHE 84 N 1.28 1.96 -0.33 5.22 0.40 0.71 -4.87 117.98 122.35 1j86 s PHE 84 Ca 0.52 -0.84 0.06 0.00 -0.60 0.00 0.00 56.93 56.07 1j86 s PHE 84 Cb -0.22 -1.77 0.19 0.00 0.51 0.00 0.00 43.02 41.73 1j86 s PHE 84 CO 0.26 0.03 0.58 0.45 0.70 0.00 0.00 175.22 177.24 1j86 s SER 85 N -3.99 -1.34 0.24 1.36 0.15 -1.26 0.76 113.70 109.62 1j86 s SER 85 Ca 0.22 -0.21 -0.21 0.00 0.70 0.00 0.00 55.95 56.45 1j86 s SER 85 Cb 0.01 1.89 0.06 0.00 -1.71 0.00 0.00 66.02 66.27 1j86 s SER 85 CO 0.12 -0.26 0.91 -0.62 1.20 0.00 0.00 173.24 174.59 1j86 s ASP 86 N 2.47 -0.08 0.09 5.45 -1.08 -1.26 -5.06 116.67 117.19 1j86 s ASP 86 Ca 0.12 -0.70 -0.14 0.00 -0.52 0.00 0.00 52.55 51.31 1j86 s ASP 86 Cb -0.09 0.61 -0.14 0.00 -1.46 0.00 0.00 42.92 41.85 1j86 s ASP 86 CO -0.20 -1.18 1.32 -0.50 0.52 0.00 0.00 175.17 175.13 1j86 h TRP 87 N 2.00 0.96 -3.64 -5.34 4.06 -1.96 -3.40 115.95 108.63 1j86 h TRP 87 Ca -0.27 -0.38 -0.64 0.00 2.06 0.00 0.00 58.89 59.66 1j86 h TRP 87 Cb 1.23 -0.16 -0.32 0.00 -1.00 0.00 0.00 29.16 28.91 1j86 h TRP 87 CO 0.95 1.19 -0.87 -0.51 -3.56 0.00 0.00 178.44 175.64 1j86 s LEU 88 N -8.61 2.00 -0.07 -4.49 1.43 -1.26 -0.28 118.68 107.39 1j86 s LEU 88 Ca -0.11 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.55 1j86 s LEU 88 Cb 0.08 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 45.06 1j86 s LEU 88 CO 0.87 0.17 -0.19 -0.22 0.23 0.00 0.00 176.35 177.21 1j86 s LEU 89 N 0.18 1.92 -0.47 1.79 2.96 -0.52 -4.30 118.68 120.25 1j86 s LEU 89 Ca -0.11 -0.43 -0.17 0.00 -0.22 0.00 0.00 54.13 53.20 1j86 s LEU 89 Cb -0.15 -1.14 0.06 0.00 0.50 0.00 0.00 46.19 45.45 1j86 s LEU 89 CO 0.06 0.13 0.45 -0.22 -1.32 0.00 0.00 176.35 175.45 1j86 s LEU 90 N 0.31 5.28 0.25 -0.68 2.96 -1.26 -1.04 118.68 124.50 1j86 s LEU 90 Ca -0.13 -1.07 -0.06 0.00 -0.22 0.00 0.00 54.13 52.65 1j86 s LEU 90 Cb -0.15 -2.28 -0.06 0.00 0.50 0.00 0.00 46.19 44.20 1j86 s LEU 90 CO 0.05 -0.68 0.51 -1.10 -1.32 0.00 0.00 176.35 173.81 1j86 s GLN 91 N 1.99 3.66 0.01 1.98 -0.21 0.13 -4.92 119.66 122.29 1j86 s GLN 91 Ca 0.08 0.02 0.00 0.00 0.02 0.00 0.00 55.36 55.49 1j86 s GLN 91 Cb -0.21 -2.69 -0.01 0.00 1.00 0.00 0.00 33.01 31.09 1j86 s GLN 91 CO 0.09 0.29 -0.02 0.00 -2.12 0.00 0.00 175.29 173.54 1j86 s ALA 92 N -1.94 0.13 0.48 6.09 0.00 -1.26 -1.47 121.76 123.79 1j86 s ALA 92 Ca 0.44 -0.30 0.16 0.00 0.00 0.00 0.00 51.96 52.26 1j86 s ALA 92 Cb -0.11 0.05 1.16 0.00 0.00 0.00 0.00 23.12 24.22 1j86 s ALA 92 CO 0.27 -0.05 2.04 0.66 0.00 0.00 0.00 175.76 178.68 1j86 h SER 93 N 5.46 0.20 -2.36 0.00 4.64 -0.99 -3.40 113.55 117.10 1j86 h SER 93 Ca -0.28 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.19 1j86 h SER 93 Cb 1.21 -0.04 -0.30 0.00 -0.31 0.00 0.00 62.40 62.96 1j86 h SER 93 CO 0.46 0.13 0.54 0.00 -0.87 0.00 0.00 176.83 177.09 1j86 s ALA 94 N -5.23 -2.42 0.19 5.18 0.00 -1.26 -4.87 121.76 113.34 1j86 s ALA 94 Ca -0.06 2.10 0.23 0.00 0.00 0.00 0.00 51.96 54.23 1j86 s ALA 94 Cb 0.19 -1.82 0.96 0.00 0.00 0.00 0.00 23.12 22.45 1j86 s ALA 94 CO 0.72 -0.33 1.85 0.93 0.00 0.00 0.00 175.76 178.93 1j86 h GLU 95 N 5.62 0.00 -4.34 0.00 5.08 -1.92 -3.42 114.58 115.59 1j86 h GLU 95 Ca -0.27 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.60 1j86 h GLU 95 Cb 1.18 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.09 1j86 h GLU 95 CO 0.21 0.24 -0.80 0.08 -1.00 0.00 0.00 179.01 177.74 1j86 s VAL 96 N -3.73 0.94 -0.00 3.13 1.01 -1.26 -2.57 120.40 117.91 1j86 s VAL 96 Ca -0.00 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1j86 s VAL 96 Cb 0.11 -0.89 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 1j86 s VAL 96 CO 0.64 0.32 -0.04 -0.69 0.00 0.00 0.00 175.10 175.32 1j86 s VAL 97 N 0.89 0.33 0.19 2.92 1.01 -0.91 -5.03 120.40 119.80 1j86 s VAL 97 Ca -0.11 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 1j86 s VAL 97 Cb -0.15 -0.28 -0.08 0.00 0.00 0.00 0.00 36.38 35.87 1j86 s VAL 97 CO 0.01 0.09 1.26 -0.32 0.00 0.00 0.00 175.10 176.14 1j86 s MET 98 N -0.11 4.43 0.10 2.72 1.75 -1.26 -1.51 119.30 125.41 1j86 s MET 98 Ca 0.01 1.98 -0.36 0.00 -1.25 0.00 0.00 55.69 56.08 1j86 s MET 98 Cb -0.02 -3.21 -0.17 0.00 2.84 0.00 0.00 34.83 34.27 1j86 s MET 98 CO -0.00 -0.19 1.22 -1.91 -0.65 0.00 0.00 175.02 173.50 1j86 n GLU 99 N 2.56 0.91 0.00 4.11 2.13 0.55 -1.17 120.64 129.73 1j86 n GLU 99 Ca 0.05 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.20 1j86 n GLU 99 Cb 0.44 -1.89 0.00 0.00 0.27 0.00 0.00 31.44 30.26 1j86 n GLU 99 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1j86 n GLY 100 N 2.20 2.76 3.74 8.31 0.00 -0.92 -4.92 105.19 116.36 1j86 n GLY 100 Ca 0.18 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1j86 n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j86 s GLN 101 N 0.00 1.34 0.44 1.61 -1.52 -0.31 -3.50 119.66 117.72 1j86 s GLN 101 Ca 0.00 0.69 -0.22 0.00 -1.95 0.00 0.00 55.36 53.88 1j86 s GLN 101 Cb 0.00 -1.83 -0.09 0.00 -0.22 0.00 0.00 33.01 30.87 1j86 s GLN 101 CO 0.00 -2.15 1.03 -1.25 -0.25 0.00 0.00 175.29 172.67 1j86 s PRO 102 N -5.02 4.01 -0.13 2.91 0.04 -0.75 -0.97 135.00 135.09 1j86 s PRO 102 Ca 0.63 1.38 -0.00 0.00 0.04 0.00 0.00 61.00 63.05 1j86 s PRO 102 Cb -0.17 -2.28 0.03 0.00 0.04 0.00 0.00 34.50 32.12 1j86 s PRO 102 CO 0.56 -0.26 -0.07 -1.17 0.04 0.00 0.00 177.00 176.11 1j86 s LEU 103 N -3.10 1.28 -0.24 -3.56 2.96 0.47 -4.92 118.68 111.57 1j86 s LEU 103 Ca 0.63 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 54.17 1j86 s LEU 103 Cb -0.17 -0.85 0.05 0.00 0.50 0.00 0.00 46.19 45.71 1j86 s LEU 103 CO 0.22 -0.14 -0.13 0.12 -1.32 0.00 0.00 176.35 175.10 1j86 s PHE 104 N 1.70 3.11 0.20 5.38 5.36 -1.26 -0.93 117.98 131.54 1j86 s PHE 104 Ca 0.04 -2.12 0.04 0.00 -0.96 0.00 0.00 56.93 53.92 1j86 s PHE 104 Cb -0.13 -1.92 -0.03 0.00 -0.34 0.00 0.00 43.02 40.60 1j86 s PHE 104 CO -0.08 -0.86 0.31 -0.51 -1.46 0.00 0.00 175.22 172.63 1j86 s LEU 105 N 1.16 4.29 -0.25 6.12 1.43 0.11 -0.30 118.68 131.24 1j86 s LEU 105 Ca -0.05 0.09 -0.21 0.00 -1.03 0.00 0.00 54.13 52.94 1j86 s LEU 105 Cb -0.18 -2.85 0.07 0.00 0.03 0.00 0.00 46.19 43.26 1j86 s LEU 105 CO -0.07 -0.01 0.65 -0.60 0.23 0.00 0.00 176.35 176.54 1j86 s ARG 106 N -3.63 0.73 -0.96 1.70 3.52 -0.54 -2.30 118.95 117.47 1j86 s ARG 106 Ca 0.34 0.96 -0.08 0.00 -0.13 0.00 0.00 55.73 56.81 1j86 s ARG 106 Cb -0.10 0.31 0.24 0.00 -1.56 0.00 0.00 34.95 33.85 1j86 s ARG 106 CO 0.28 -0.10 0.91 0.00 -0.81 0.00 0.00 175.30 175.58 1j86 s HIS 108 N -0.87 3.20 0.12 0.00 2.46 -0.20 -4.86 115.29 115.14 1j86 s HIS 108 Ca 0.26 1.21 -0.12 0.00 0.47 0.00 0.00 55.06 56.88 1j86 s HIS 108 Cb -0.10 -3.43 -0.06 0.00 -0.13 0.00 0.00 32.58 28.85 1j86 s HIS 108 CO -0.09 -1.36 0.48 0.20 -2.47 0.00 0.00 174.74 171.50 1j86 s GLY 109 N 1.45 2.39 0.21 1.59 0.00 -1.25 -1.43 107.32 110.27 1j86 s GLY 109 Ca 0.57 -0.27 -0.31 0.00 0.00 0.00 0.00 44.72 44.71 1j86 s GLY 109 CO 0.23 -0.03 0.98 1.87 0.00 0.00 0.00 173.10 176.15 1j86 n TRP 110 N 0.76 0.91 -3.97 1.90 -0.00 0.61 -1.25 117.44 116.40 1j86 n TRP 110 Ca -0.06 0.76 -0.27 0.00 -0.00 0.00 0.00 57.50 57.93 1j86 n TRP 110 Cb 0.52 -2.20 -0.01 0.00 -0.00 0.00 0.00 31.31 29.62 1j86 n TRP 110 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1j86 n ARG 111 N 1.23 -3.61 -0.36 5.87 5.12 -1.26 -1.31 116.66 122.33 1j86 n ARG 111 Ca 0.14 0.44 0.00 0.00 -1.93 0.00 0.00 57.85 56.49 1j86 n ARG 111 Cb 0.26 -4.75 0.00 0.00 -1.16 0.00 0.00 32.46 26.81 1j86 n ARG 111 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1j86 n ASN 112 N -2.93 -0.64 -4.44 0.55 3.02 -0.38 -4.89 115.26 105.56 1j86 n ASN 112 Ca -0.22 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 53.93 1j86 n ASN 112 Cb 0.64 -1.70 0.02 0.00 -0.61 0.00 0.00 39.78 38.14 1j86 n ASN 112 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 1j86 n TRP 113 N -0.93 -0.87 -2.65 3.10 -0.00 -0.43 -4.79 117.44 110.87 1j86 n TRP 113 Ca 0.00 0.51 -0.35 0.00 -0.00 0.00 0.00 57.50 57.66 1j86 n TRP 113 Cb 0.05 -1.94 -0.05 0.00 -0.00 0.00 0.00 31.31 29.38 1j86 n TRP 113 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 1j86 s ASP 114 N -1.05 6.71 -0.09 5.87 1.01 -1.26 -3.95 116.67 123.90 1j86 s ASP 114 Ca 0.65 1.87 0.02 0.00 0.71 0.00 0.00 52.55 55.81 1j86 s ASP 114 Cb -0.52 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 40.84 1j86 s ASP 114 CO 0.57 -0.52 -0.16 -0.69 0.21 0.00 0.00 175.17 174.58 1j86 s VAL 115 N -1.93 2.80 0.42 -1.27 1.01 -1.26 -4.51 120.40 115.66 1j86 s VAL 115 Ca 0.62 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.89 1j86 s VAL 115 Cb -0.16 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1j86 s VAL 115 CO 0.20 0.55 0.24 -0.31 0.00 0.00 0.00 175.10 175.78 1j86 s TYR 116 N -0.04 2.59 -1.30 5.22 1.51 -0.38 -4.68 117.35 120.26 1j86 s TYR 116 Ca -0.04 -0.58 -0.06 0.00 -1.01 0.00 0.00 57.07 55.39 1j86 s TYR 116 Cb -0.14 -2.01 0.01 0.00 -0.11 0.00 0.00 41.96 39.70 1j86 s TYR 116 CO 0.04 0.08 0.10 1.63 -1.11 0.00 0.00 175.55 176.30 1j86 n LYS 117 N -1.34 -0.83 -2.56 -0.62 4.76 -1.26 -1.83 118.16 114.48 1j86 n LYS 117 Ca -0.00 0.06 -0.42 0.00 -2.87 0.00 0.00 58.31 55.08 1j86 n LYS 117 Cb 0.64 -2.93 -0.03 0.00 -1.84 0.00 0.00 35.03 30.87 1j86 n LYS 117 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1j86 s VAL 118 N -4.13 4.42 -0.01 -0.18 1.01 -1.26 -4.54 120.40 115.72 1j86 s VAL 118 Ca 0.08 1.76 0.04 0.00 0.00 0.00 0.00 61.98 63.85 1j86 s VAL 118 Cb -0.04 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1j86 s VAL 118 CO 0.87 0.15 -0.14 -0.63 0.00 0.00 0.00 175.10 175.35 1j86 s ILE 119 N 0.96 1.07 -0.10 2.22 1.01 -0.71 -4.84 121.20 120.82 1j86 s ILE 119 Ca 0.55 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.63 1j86 s ILE 119 Cb -0.25 -0.90 -0.02 0.00 0.01 0.00 0.00 42.46 41.29 1j86 s ILE 119 CO 0.29 0.30 -0.09 -0.31 0.00 0.00 0.00 174.94 175.13 1j86 s TYR 120 N -0.29 2.87 -0.13 3.97 1.51 -1.26 -0.97 117.35 123.04 1j86 s TYR 120 Ca 0.05 -0.24 0.01 0.00 -1.01 0.00 0.00 57.07 55.87 1j86 s TYR 120 Cb -0.06 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 1j86 s TYR 120 CO -0.00 0.10 -0.15 0.71 -1.11 0.00 0.00 175.55 175.09 1j86 s TYR 121 N -0.28 2.76 -0.32 2.71 1.51 0.61 -0.46 117.35 123.88 1j86 s TYR 121 Ca 0.03 -0.82 -0.00 0.00 -1.01 0.00 0.00 57.07 55.27 1j86 s TYR 121 Cb -0.13 -1.84 0.07 0.00 -0.11 0.00 0.00 41.96 39.96 1j86 s TYR 121 CO 0.03 -0.32 0.04 0.21 -1.11 0.00 0.00 175.55 174.39 1j86 s LYS 122 N 0.49 2.16 -0.65 -0.62 2.20 0.98 -1.61 119.74 122.69 1j86 s LYS 122 Ca -0.11 -1.50 -0.03 0.00 -0.36 0.00 0.00 55.97 53.97 1j86 s LYS 122 Cb -0.16 -3.23 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 1j86 s LYS 122 CO 0.05 -0.76 0.58 -0.25 -0.36 0.00 0.00 175.35 174.60 1j86 n ASP 123 N 4.53 -5.06 0.00 1.43 8.00 0.12 -3.09 116.55 122.48 1j86 n ASP 123 Ca -0.08 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.00 1j86 n ASP 123 Cb 0.42 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 37.98 1j86 n ASP 123 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j86 n GLY 124 N -1.34 0.00 3.85 0.44 0.00 -1.26 -4.89 105.19 101.99 1j86 n GLY 124 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1j86 n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j86 s GLU 125 N 0.00 3.87 -0.35 1.61 0.41 -1.18 -5.04 118.70 118.03 1j86 s GLU 125 Ca 0.00 0.34 -0.22 0.00 -0.41 0.00 0.00 54.97 54.68 1j86 s GLU 125 Cb 0.00 -3.03 0.00 0.00 -1.78 0.00 0.00 34.13 29.32 1j86 s GLU 125 CO 0.00 0.57 0.73 0.00 -0.49 0.00 0.00 175.26 176.07 1j86 s ALA 126 N -1.34 3.46 -0.78 5.21 0.00 -1.26 -0.02 121.76 127.03 1j86 s ALA 126 Ca 0.32 -0.68 -0.25 0.00 0.00 0.00 0.00 51.96 51.35 1j86 s ALA 126 Cb -0.15 -3.28 -0.21 0.00 0.00 0.00 0.00 23.12 19.49 1j86 s ALA 126 CO 0.17 -1.37 1.89 1.28 0.00 0.00 0.00 175.76 177.74 1j86 n LEU 127 N 6.23 2.47 0.04 0.00 4.77 0.39 -4.78 117.00 126.13 1j86 n LEU 127 Ca 0.02 -2.57 -0.10 0.00 -0.03 0.00 0.00 56.01 53.33 1j86 n LEU 127 Cb 0.48 -1.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.22 1j86 n LEU 127 CO 0.51 -1.90 0.51 0.11 -1.33 0.00 0.00 177.39 175.28 1j86 h LYS 128 N 9.74 -0.40 -0.61 3.23 1.57 -1.93 -2.55 116.57 125.62 1j86 h LYS 128 Ca 0.23 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.13 1j86 h LYS 128 Cb 0.83 0.09 -0.09 0.00 0.08 0.00 0.00 32.23 33.13 1j86 h LYS 128 CO 1.56 -0.27 -0.25 0.66 -0.57 0.00 0.00 179.45 180.58 1j86 n TYR 129 N -4.30 -0.02 0.05 -1.35 0.53 -1.26 0.24 117.16 111.05 1j86 n TYR 129 Ca -0.05 0.75 0.01 0.00 -1.02 0.00 0.00 57.90 57.59 1j86 n TYR 129 Cb 0.24 -0.70 0.06 0.00 -1.03 0.00 0.00 39.34 37.91 1j86 n TYR 129 CO 0.00 0.00 0.00 0.91 -1.02 0.00 0.00 176.86 176.75 1j86 n TRP 130 N -4.88 0.05 -0.34 -0.72 7.02 -0.96 -3.49 117.44 114.13 1j86 n TRP 130 Ca 0.06 0.02 0.26 0.00 -1.02 0.00 0.00 57.50 56.82 1j86 n TRP 130 Cb 0.23 -0.54 0.51 0.00 -2.42 0.00 0.00 31.31 29.09 1j86 n TRP 130 CO 0.00 0.00 0.00 -0.92 -2.02 0.00 0.00 177.69 174.75 1j86 h TYR 131 N 0.00 0.88 0.70 -5.99 3.20 0.30 -0.39 116.97 115.67 1j86 h TYR 131 Ca 0.00 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1j86 h TYR 131 Cb 0.02 -0.23 0.01 0.00 1.54 0.00 0.00 36.73 38.07 1j86 h TYR 131 CO 0.00 -0.23 -0.33 0.93 -1.64 0.00 0.00 178.16 176.89 1j86 h GLU 132 N 0.25 -0.90 -7.12 1.82 5.08 -1.77 -3.44 114.58 108.50 1j86 h GLU 132 Ca 0.76 0.06 -0.52 0.00 -1.00 0.00 0.00 59.36 58.66 1j86 h GLU 132 Cb 1.84 0.20 0.11 0.00 0.50 0.00 0.00 28.75 31.41 1j86 h GLU 132 CO -0.62 -0.59 0.44 -0.80 -1.00 0.00 0.00 179.01 176.44 1j86 s ASN 133 N -4.38 5.06 -0.08 1.42 0.01 -0.16 -4.96 114.94 111.85 1j86 s ASN 133 Ca -0.18 2.31 -0.27 0.00 -0.71 0.00 0.00 52.86 54.01 1j86 s ASN 133 Cb 0.03 -2.59 -0.24 0.00 0.41 0.00 0.00 41.25 38.87 1j86 s ASN 133 CO 0.61 -1.68 0.99 -0.74 -1.51 0.00 0.00 177.10 174.78 1j86 h HIS 134 N 0.60 0.05 -0.39 2.20 -0.00 -1.85 -3.47 115.15 112.29 1j86 h HIS 134 Ca -0.49 -0.02 -0.65 0.00 -0.00 0.00 0.00 60.37 59.20 1j86 h HIS 134 Cb 1.29 -0.01 -0.10 0.00 -0.00 0.00 0.00 27.41 28.59 1j86 h HIS 134 CO 0.48 0.81 -0.44 0.54 -0.00 0.00 0.00 177.93 179.32 1j86 s ASN 135 N -6.05 4.31 -0.21 3.26 2.20 -1.26 -4.74 114.94 112.45 1j86 s ASN 135 Ca -0.17 -1.52 -0.02 0.00 -0.94 0.00 0.00 52.86 50.21 1j86 s ASN 135 Cb -0.01 0.52 0.01 0.00 -2.00 0.00 0.00 41.25 39.77 1j86 s ASN 135 CO 0.69 -0.95 -0.11 -0.63 -2.94 0.00 0.00 177.10 173.16 1j86 s ILE 136 N -2.85 2.77 -0.17 0.54 1.01 -0.97 -5.01 121.20 116.52 1j86 s ILE 136 Ca 0.15 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 60.03 1j86 s ILE 136 Cb 0.00 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 40.23 1j86 s ILE 136 CO 0.09 0.42 -0.20 -0.55 0.00 0.00 0.00 174.94 174.70 1j86 s SER 137 N 1.38 3.10 -0.31 3.58 0.15 -1.26 0.08 113.70 120.40 1j86 s SER 137 Ca 0.04 -0.63 0.02 0.00 0.70 0.00 0.00 55.95 56.08 1j86 s SER 137 Cb -0.14 -1.46 0.09 0.00 -1.71 0.00 0.00 66.02 62.80 1j86 s SER 137 CO -0.07 0.00 0.03 -0.63 1.20 0.00 0.00 173.24 173.78 1j86 s ILE 138 N 1.26 1.84 0.06 6.45 1.01 -0.10 -5.01 121.20 126.71 1j86 s ILE 138 Ca 0.04 -1.91 -0.25 0.00 0.00 0.00 0.00 60.65 58.52 1j86 s ILE 138 Cb -0.13 -2.29 -0.12 0.00 0.01 0.00 0.00 42.46 39.93 1j86 s ILE 138 CO -0.12 -0.50 1.39 0.71 0.00 0.00 0.00 174.94 176.42 1j86 h THR 139 N 6.60 0.00 -3.56 2.92 1.35 -1.88 0.13 112.91 118.48 1j86 h THR 139 Ca -0.09 0.00 -0.71 0.00 -0.55 0.00 0.00 66.41 65.06 1j86 h THR 139 Cb 1.03 0.00 -0.27 0.00 -1.73 0.00 0.00 68.15 67.18 1j86 h THR 139 CO 0.49 0.00 -0.52 0.20 -0.25 0.00 0.00 175.52 175.44 1j86 s ASN 140 N -3.81 5.58 0.88 5.36 0.01 -1.26 -1.80 114.94 119.90 1j86 s ASN 140 Ca -0.12 -1.24 -0.11 0.00 -0.71 0.00 0.00 52.86 50.68 1j86 s ASN 140 Cb 0.03 -1.97 0.12 0.00 0.41 0.00 0.00 41.25 39.84 1j86 s ASN 140 CO 0.42 -0.43 1.09 0.00 -1.51 0.00 0.00 177.10 176.68 1j86 s ALA 141 N 1.46 1.65 0.04 0.60 0.00 -0.14 -4.81 121.76 120.56 1j86 s ALA 141 Ca 0.01 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.06 1j86 s ALA 141 Cb -0.21 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1j86 s ALA 141 CO 0.04 -2.29 -0.05 0.99 0.00 0.00 0.00 175.76 174.45 1j86 s THR 142 N -2.88 0.35 -0.09 0.00 2.01 -1.26 -2.15 115.64 111.61 1j86 s THR 142 Ca 0.63 -1.31 0.29 0.00 0.31 0.00 0.00 61.69 61.62 1j86 s THR 142 Cb -0.18 -0.85 0.31 0.00 0.01 0.00 0.00 72.50 71.79 1j86 s THR 142 CO 0.57 -0.63 1.88 1.62 -0.69 0.00 0.00 174.62 177.37 1j86 h VAL 143 N 4.03 0.00 0.00 3.82 3.04 -1.93 -1.33 116.25 123.87 1j86 h VAL 143 Ca -0.34 -0.23 -0.12 0.00 -1.01 0.00 0.00 66.70 64.99 1j86 h VAL 143 Cb 1.19 1.04 -0.02 0.00 -2.01 0.00 0.00 31.29 31.48 1j86 h VAL 143 CO 0.50 0.00 -0.58 -0.08 -1.01 0.00 0.00 177.57 176.40 1j86 h GLU 144 N 0.00 0.00 0.00 4.17 4.81 -1.95 -3.05 114.58 118.56 1j86 h GLU 144 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1j86 h GLU 144 Cb 0.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1j86 h GLU 144 CO 0.00 0.58 0.00 -0.25 -0.73 0.00 0.00 179.01 178.61 1j86 n ASP 145 N -3.36 0.00 -4.78 1.04 8.00 -0.50 -4.75 116.55 112.20 1j86 n ASP 145 Ca 0.01 0.10 -0.34 0.00 0.71 0.00 0.00 54.79 55.27 1j86 n ASP 145 Cb 0.71 -0.27 0.01 0.00 -0.02 0.00 0.00 41.12 41.56 1j86 n ASP 145 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1j86 s SER 146 N -2.54 5.58 0.00 -2.24 0.01 -1.15 -4.88 113.70 108.48 1j86 s SER 146 Ca 0.11 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.42 1j86 s SER 146 Cb 0.07 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1j86 s SER 146 CO 0.16 -1.31 0.00 0.61 0.41 0.00 0.00 173.24 173.12 1j86 n GLY 147 N -0.23 -0.40 3.60 3.44 0.00 0.13 -5.00 105.19 106.73 1j86 n GLY 147 Ca 0.11 -1.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 1j86 n GLY 147 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j86 s THR 148 N -1.53 5.20 0.39 2.61 -4.23 -1.26 -0.09 115.64 116.73 1j86 s THR 148 Ca 0.00 0.51 0.08 0.00 -1.18 0.00 0.00 61.69 61.10 1j86 s THR 148 Cb 0.00 -3.67 -0.02 0.00 1.34 0.00 0.00 72.50 70.15 1j86 s THR 148 CO 0.00 0.17 0.36 -0.31 -0.54 0.00 0.00 174.62 174.30 1j86 s TYR 149 N 2.00 2.78 0.00 3.99 1.51 0.70 0.11 117.35 128.44 1j86 s TYR 149 Ca 0.14 -0.43 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 1j86 s TYR 149 Cb -0.16 -2.06 0.00 0.00 -0.11 0.00 0.00 41.96 39.63 1j86 s TYR 149 CO 0.10 -0.04 0.00 2.48 -1.11 0.00 0.00 175.55 176.98 1j86 n TYR 150 N -1.51 0.00 -3.94 2.71 0.18 -0.63 0.39 117.16 114.36 1j86 n TYR 150 Ca 0.02 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.58 1j86 n TYR 150 Cb 0.61 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.52 1j86 n TYR 150 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1j86 s THR 152 N -2.43 0.37 -0.12 0.00 -1.32 -0.15 -1.26 115.64 110.73 1j86 s THR 152 Ca 0.41 0.12 -0.22 0.00 -1.21 0.00 0.00 61.69 60.79 1j86 s THR 152 Cb -0.02 -0.51 0.05 0.00 -1.51 0.00 0.00 72.50 70.50 1j86 s THR 152 CO 0.24 0.25 0.54 -0.83 -2.21 0.00 0.00 174.62 172.61 1j86 s GLY 153 N 1.88 -0.40 -0.01 6.08 0.00 -0.77 -1.75 107.32 112.35 1j86 s GLY 153 Ca 0.04 1.21 -0.30 0.00 0.00 0.00 0.00 44.72 45.66 1j86 s GLY 153 CO -0.05 0.96 1.29 1.25 0.00 0.00 0.00 173.10 176.55 1j86 s LYS 154 N -0.51 4.33 -0.18 2.90 2.20 -0.76 -2.80 119.74 124.93 1j86 s LYS 154 Ca -0.06 1.82 -0.01 0.00 -0.36 0.00 0.00 55.97 57.37 1j86 s LYS 154 Cb -0.03 -3.52 0.05 0.00 -1.51 0.00 0.00 37.83 32.82 1j86 s LYS 154 CO 0.04 -0.47 -0.04 0.08 -0.36 0.00 0.00 175.35 174.60 1j86 s VAL 155 N 2.09 1.10 -1.21 4.02 1.01 -0.31 -1.25 120.40 125.83 1j86 s VAL 155 Ca 0.60 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 1j86 s VAL 155 Cb -0.29 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 1j86 s VAL 155 CO 0.25 0.02 0.83 1.87 0.00 0.00 0.00 175.10 178.07 1j86 n TRP 156 N 4.86 -2.08 -1.02 5.22 -0.00 -1.26 -3.18 117.44 119.97 1j86 n TRP 156 Ca -0.11 0.82 -0.01 0.00 -0.00 0.00 0.00 57.50 58.20 1j86 n TRP 156 Cb 0.47 -4.42 -0.00 0.00 -0.00 0.00 0.00 31.31 27.36 1j86 n TRP 156 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 1j86 n GLN 157 N -4.03 -0.51 -3.96 5.87 6.02 -1.26 -5.03 117.38 114.48 1j86 n GLN 157 Ca -0.23 0.22 -0.10 0.00 -0.01 0.00 0.00 57.00 56.88 1j86 n GLN 157 Cb 0.66 -3.66 -0.12 0.00 1.02 0.00 0.00 30.24 28.14 1j86 n GLN 157 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1j86 s LEU 158 N -0.19 2.18 0.32 1.08 1.43 -1.19 -5.14 118.68 117.17 1j86 s LEU 158 Ca 0.00 -0.38 -0.19 0.00 -1.03 0.00 0.00 54.13 52.53 1j86 s LEU 158 Cb 0.00 0.07 -0.09 0.00 0.03 0.00 0.00 46.19 46.19 1j86 s LEU 158 CO 0.00 -0.22 0.80 -1.81 0.23 0.00 0.00 176.35 175.35 1j86 s ASP 159 N -1.11 6.95 0.26 2.29 1.01 -1.26 -1.17 116.67 123.64 1j86 s ASP 159 Ca -0.12 1.46 -0.07 0.00 0.71 0.00 0.00 52.55 54.53 1j86 s ASP 159 Cb -0.08 -2.44 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 1j86 s ASP 159 CO -0.01 -0.16 0.39 -0.31 0.21 0.00 0.00 175.17 175.29 1j86 s TYR 160 N -1.85 0.74 -0.03 4.23 1.51 -1.12 -4.94 117.35 115.88 1j86 s TYR 160 Ca 0.52 -1.03 -0.02 0.00 -1.01 0.00 0.00 57.07 55.53 1j86 s TYR 160 Cb -0.13 -0.07 0.02 0.00 -0.11 0.00 0.00 41.96 41.67 1j86 s TYR 160 CO 0.18 -0.93 0.07 -2.00 -1.11 0.00 0.00 175.55 171.76 1j86 s GLU 161 N -3.83 0.05 0.70 -0.62 2.12 -1.26 -1.85 118.70 114.01 1j86 s GLU 161 Ca 0.29 0.17 -0.09 0.00 0.36 0.00 0.00 54.97 55.70 1j86 s GLU 161 Cb 0.01 -0.08 0.04 0.00 0.26 0.00 0.00 34.13 34.36 1j86 s GLU 161 CO 0.13 -0.08 1.04 -1.54 -0.54 0.00 0.00 175.26 174.27 1j86 s SER 162 N 0.53 5.16 0.27 -1.70 1.04 -0.39 -4.75 113.70 113.86 1j86 s SER 162 Ca -0.04 0.80 -0.29 0.00 0.48 0.00 0.00 55.95 56.89 1j86 s SER 162 Cb -0.06 -1.56 -0.09 0.00 0.10 0.00 0.00 66.02 64.41 1j86 s SER 162 CO -0.02 -1.44 1.13 -1.61 0.98 0.00 0.00 173.24 172.29 1j86 s GLU 163 N -5.28 4.59 0.90 4.02 0.41 -1.26 -4.68 118.70 117.40 1j86 s GLU 163 Ca 0.58 1.85 -0.10 0.00 -0.41 0.00 0.00 54.97 56.89 1j86 s GLU 163 Cb -0.11 -3.19 0.14 0.00 -1.78 0.00 0.00 34.13 29.19 1j86 s GLU 163 CO 0.48 0.13 1.14 -1.25 -0.49 0.00 0.00 175.26 175.27 1j86 s PRO 164 N -1.27 1.16 -0.06 0.39 0.04 -1.26 -4.70 135.00 129.30 1j86 s PRO 164 Ca 0.46 1.50 -0.03 0.00 0.04 0.00 0.00 61.00 62.98 1j86 s PRO 164 Cb -0.33 -1.75 0.04 0.00 0.04 0.00 0.00 34.50 32.51 1j86 s PRO 164 CO 0.41 -2.52 0.11 -1.17 0.04 0.00 0.00 177.00 173.88 1j86 s LEU 165 N -6.53 0.12 0.01 -3.56 2.96 0.16 -4.96 118.68 106.89 1j86 s LEU 165 Ca 0.66 0.22 -0.26 0.00 -0.22 0.00 0.00 54.13 54.53 1j86 s LEU 165 Cb -0.22 0.10 -0.05 0.00 0.50 0.00 0.00 46.19 46.53 1j86 s LEU 165 CO 0.58 -0.23 0.80 0.20 -1.32 0.00 0.00 176.35 176.37 1j86 s ASN 166 N 2.11 7.20 -0.08 3.68 0.01 -1.26 -0.21 114.94 126.38 1j86 s ASN 166 Ca 0.02 1.44 0.01 0.00 -0.71 0.00 0.00 52.86 53.62 1j86 s ASN 166 Cb -0.12 -2.48 0.02 0.00 0.41 0.00 0.00 41.25 39.08 1j86 s ASN 166 CO -0.05 -0.07 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.77 1j86 s ILE 167 N 0.36 0.87 -0.06 0.60 1.01 0.87 -4.90 121.20 119.96 1j86 s ILE 167 Ca 0.41 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.84 1j86 s ILE 167 Cb -0.20 -0.87 -0.00 0.00 0.01 0.00 0.00 42.46 41.40 1j86 s ILE 167 CO 0.23 0.32 -0.20 -0.89 0.00 0.00 0.00 174.94 174.40 1j86 s THR 168 N 1.21 1.68 -0.26 2.92 2.01 -1.06 0.20 115.64 122.34 1j86 s THR 168 Ca -0.05 -0.83 -0.06 0.00 0.31 0.00 0.00 61.69 61.05 1j86 s THR 168 Cb -0.14 -1.45 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 1j86 s THR 168 CO -0.02 0.48 0.04 -0.69 -0.69 0.00 0.00 174.62 173.73 1j86 s VAL 169 N 0.15 3.90 -0.02 3.82 1.01 -1.26 -2.14 120.40 125.85 1j86 s VAL 169 Ca -0.09 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 61.26 1j86 s VAL 169 Cb -0.14 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1j86 s VAL 169 CO 0.04 0.27 0.47 0.27 0.00 0.00 0.00 175.10 176.15 1j86 s ILE 170 N 1.53 5.02 -0.27 2.22 -4.36 -0.57 -4.38 121.20 120.39 1j86 s ILE 170 Ca 0.05 0.96 -0.28 0.00 -0.26 0.00 0.00 60.65 61.12 1j86 s ILE 170 Cb -0.16 -3.79 0.01 0.00 1.25 0.00 0.00 42.46 39.77 1j86 s ILE 170 CO 0.01 0.48 1.00 -0.75 0.24 0.00 0.00 174.94 175.93 1j86 s LYS 171 N -0.49 4.15 -0.28 0.37 2.47 -1.26 -0.33 119.74 124.38 1j86 s LYS 171 Ca 0.26 1.14 -0.23 0.00 -1.56 0.00 0.00 55.97 55.57 1j86 s LYS 171 Cb -0.17 -3.68 -0.01 0.00 -1.46 0.00 0.00 37.83 32.51 1j86 s LYS 171 CO 0.14 -0.72 0.77 0.00 0.16 0.00 0.00 175.35 175.69 1j86 s ALA 172 N 3.29 3.58 -0.04 3.13 0.00 -1.26 -5.00 121.76 125.47 1j86 s ALA 172 Ca 0.42 -0.34 -0.07 0.00 0.00 0.00 0.00 51.96 51.97 1j86 s ALA 172 Cb -0.14 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1j86 s ALA 172 CO 0.10 -1.04 0.22 -1.25 0.00 0.00 0.00 175.76 173.79 1j86 s PRO 173 N 2.83 3.53 0.00 0.00 0.04 -1.26 -5.13 135.00 135.01 1j86 s PRO 173 Ca 0.32 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.25 1j86 s PRO 173 Cb -0.15 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1j86 s PRO 173 CO 0.10 0.70 0.14 2.89 0.04 0.00 0.00 177.00 180.87