#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bq8 n LYS 46 N 0.00 0.40 0.27 -0.67 5.02 -1.26 -4.26 118.16 117.66 3bq8 n LYS 46 Ca 0.00 0.17 0.17 0.00 -2.02 0.00 0.00 58.31 56.63 3bq8 n LYS 46 Cb 0.00 -1.17 0.66 0.00 -0.02 0.00 0.00 35.03 34.50 3bq8 n LYS 46 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3bq8 h THR 47 N -0.64 0.02 0.02 -0.18 2.02 -2.05 -2.51 112.91 109.59 3bq8 h THR 47 Ca -0.47 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.15 3bq8 h THR 47 Cb 1.42 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 3bq8 h THR 47 CO -0.28 0.01 -0.01 0.74 0.37 0.00 0.00 175.52 176.35 3bq8 h THR 48 N 0.00 1.18 -0.80 3.16 2.02 -2.00 -1.42 112.91 115.05 3bq8 h THR 48 Ca -0.00 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 3bq8 h THR 48 Cb 0.54 1.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.52 3bq8 h THR 48 CO 0.00 0.16 0.37 0.15 0.37 0.00 0.00 175.52 176.57 3bq8 h PHE 49 N -0.31 1.17 -0.54 3.16 3.57 -1.68 -2.05 116.94 120.27 3bq8 h PHE 49 Ca -0.00 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 3bq8 h PHE 49 Cb 0.29 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3bq8 h PHE 49 CO 0.02 0.86 0.23 0.00 -2.23 0.00 0.00 178.31 177.19 3bq8 h ARG 50 N 1.14 0.76 0.00 1.11 3.08 -1.32 0.87 114.38 120.03 3bq8 h ARG 50 Ca 0.27 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 60.11 3bq8 h ARG 50 Cb 0.14 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3bq8 h ARG 50 CO -0.03 0.61 -0.53 -0.07 -1.07 0.00 0.00 179.97 178.88 3bq8 h LEU 51 N 0.76 0.00 0.26 3.04 3.38 -1.07 -2.67 115.31 119.00 3bq8 h LEU 51 Ca 0.19 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.82 3bq8 h LEU 51 Cb 0.12 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.91 3bq8 h LEU 51 CO -0.02 0.53 -1.50 -0.07 0.09 0.00 0.00 178.44 177.46 3bq8 h LEU 52 N 0.00 0.85 -0.71 1.67 3.38 -0.93 -2.92 115.31 116.64 3bq8 h LEU 52 Ca -0.01 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.04 3bq8 h LEU 52 Cb 1.37 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3bq8 h LEU 52 CO 0.07 1.72 0.00 -1.14 0.09 0.00 0.00 178.44 179.18 3bq8 n ARG 53 N -3.71 0.19 0.02 1.13 0.63 0.26 -1.67 116.66 113.51 3bq8 n ARG 53 Ca -0.17 0.43 -0.08 0.00 -0.92 0.00 0.00 57.85 57.10 3bq8 n ARG 53 Cb 1.11 -1.86 -0.13 0.00 0.45 0.00 0.00 32.46 32.03 3bq8 n ARG 53 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3bq8 h GLY 54 N 2.16 0.00 2.00 5.14 0.00 -1.42 -2.42 103.07 108.53 3bq8 h GLY 54 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 3bq8 h GLY 54 CO 0.00 0.01 -0.42 -2.09 0.00 0.00 0.00 176.54 174.04 3bq8 h GLU 55 N 0.00 0.00 0.01 4.80 4.57 -1.13 -2.97 114.58 119.86 3bq8 h GLU 55 Ca -0.14 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.86 3bq8 h GLU 55 Cb 1.89 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.49 3bq8 h GLU 55 CO 0.11 0.42 -0.71 1.03 -1.18 0.00 0.00 179.01 178.67 3bq8 h SER 56 N 0.00 0.61 0.53 1.04 0.87 -1.34 -2.98 113.55 112.28 3bq8 h SER 56 Ca -0.00 -0.77 -0.05 0.00 -1.23 0.00 0.00 61.79 59.74 3bq8 h SER 56 Cb 1.09 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 3bq8 h SER 56 CO 0.05 1.30 -0.26 0.78 -0.53 0.00 0.00 176.83 178.18 3bq8 h ASN 57 N -0.01 0.00 0.40 6.23 -0.26 -1.46 -2.21 115.58 118.27 3bq8 h ASN 57 Ca -0.09 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.63 3bq8 h ASN 57 Cb 1.42 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.68 3bq8 h ASN 57 CO 0.14 0.26 -0.19 0.25 -1.06 0.00 0.00 177.43 176.83 3bq8 h LEU 58 N 0.00 -0.45 -2.31 1.61 5.85 -1.53 -1.68 115.31 116.80 3bq8 h LEU 58 Ca -0.00 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3bq8 h LEU 58 Cb 0.59 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 3bq8 h LEU 58 CO 0.03 -0.10 0.03 -0.26 -0.34 0.00 0.00 178.44 177.81 3bq8 h PHE 59 N -0.85 0.00 0.00 1.25 0.04 -1.35 -1.18 116.94 114.85 3bq8 h PHE 59 Ca -0.05 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.51 3bq8 h PHE 59 Cb 0.55 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.67 3bq8 h PHE 59 CO 0.01 0.00 -0.96 -0.92 -0.60 0.00 0.00 178.31 175.84 3bq8 h TYR 60 N 0.00 0.00 0.00 -0.55 3.20 -1.29 -2.65 116.97 115.69 3bq8 h TYR 60 Ca 0.02 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.72 3bq8 h TYR 60 Cb 0.08 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 3bq8 h TYR 60 CO 0.00 0.96 -0.79 1.79 -1.64 0.00 0.00 178.16 178.48 3bq8 h THR 61 N 0.00 1.37 0.00 1.81 1.35 -0.26 -3.23 112.91 113.95 3bq8 h THR 61 Ca -0.01 -2.89 0.00 0.00 -0.55 0.00 0.00 66.41 62.96 3bq8 h THR 61 Cb 1.74 2.65 0.00 0.00 -1.73 0.00 0.00 68.15 70.81 3bq8 h THR 61 CO 0.12 0.77 -0.74 -0.07 -0.25 0.00 0.00 175.52 175.36 3bq8 h LEU 62 N 0.00 0.00-10.16 3.87 3.38 -1.44 -3.47 115.31 107.49 3bq8 h LEU 62 Ca -0.01 -0.08 -0.52 0.00 0.09 0.00 0.00 57.88 57.36 3bq8 h LEU 62 Cb 1.58 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.46 3bq8 h LEU 62 CO 0.10 0.04 0.41 0.00 0.09 0.00 0.00 178.44 179.09 3bq8 s ALA 63 N -3.27 2.37 0.02 1.53 0.00 -1.00 -4.02 121.76 117.39 3bq8 s ALA 63 Ca 0.03 0.81 -0.15 0.00 0.00 0.00 0.00 51.96 52.65 3bq8 s ALA 63 Cb 0.11 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.84 3bq8 s ALA 63 CO 0.75 -1.43 0.33 0.21 0.00 0.00 0.00 175.76 175.62 3bq8 s LYS 64 N -3.76 0.79 -0.38 0.00 2.20 0.44 -4.98 119.74 114.04 3bq8 s LYS 64 Ca 0.73 -0.35 -0.02 0.00 -0.36 0.00 0.00 55.97 55.97 3bq8 s LYS 64 Cb -0.27 0.35 0.10 0.00 -1.51 0.00 0.00 37.83 36.50 3bq8 s LYS 64 CO 0.39 -0.24 0.15 -0.46 -0.36 0.00 0.00 175.35 174.83 3bq8 s TRP 65 N -2.07 3.55 -0.02 4.03 -0.11 -1.26 0.16 118.94 123.23 3bq8 s TRP 65 Ca -0.08 -2.38 0.03 0.00 1.22 0.00 0.00 56.10 54.89 3bq8 s TRP 65 Cb -0.02 -2.99 -0.00 0.00 -1.50 0.00 0.00 33.47 28.96 3bq8 s TRP 65 CO -0.00 -0.94 -0.09 -2.00 -4.62 0.00 0.00 176.95 169.30 3bq8 s GLU 66 N 1.14 0.88 -1.04 5.86 2.12 -0.51 -4.76 118.70 122.38 3bq8 s GLU 66 Ca 0.06 -0.32 -0.00 0.00 0.36 0.00 0.00 54.97 55.07 3bq8 s GLU 66 Cb -0.22 -0.83 0.00 0.00 0.26 0.00 0.00 34.13 33.34 3bq8 s GLU 66 CO -0.04 0.15 0.03 -1.71 -0.54 0.00 0.00 175.26 173.15 3bq8 n ASN 67 N 3.09 -3.92 0.00 -1.70 2.85 -1.26 -2.09 115.26 112.23 3bq8 n ASN 67 Ca -0.16 -0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 3bq8 n ASN 67 Cb 0.55 -3.11 0.00 0.00 1.24 0.00 0.00 39.78 38.47 3bq8 n ASN 67 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 3bq8 n ASN 68 N -0.38 -5.53 -4.50 1.20 5.15 -1.26 -4.95 115.26 104.99 3bq8 n ASN 68 Ca -0.14 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.56 3bq8 n ASN 68 Cb 0.61 -3.12 -0.11 0.00 -0.53 0.00 0.00 39.78 36.63 3bq8 n ASN 68 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3bq8 s LYS 69 N -1.74 1.83 0.13 1.20 1.02 -0.89 -5.11 119.74 116.18 3bq8 s LYS 69 Ca 0.00 -1.26 -0.30 0.00 0.02 0.00 0.00 55.97 54.43 3bq8 s LYS 69 Cb 0.00 -2.09 -0.07 0.00 -0.52 0.00 0.00 37.83 35.16 3bq8 s LYS 69 CO 0.00 0.45 1.11 -1.17 -0.92 0.00 0.00 175.35 174.82 3bq8 s LEU 70 N -2.44 4.45 -0.18 3.17 2.96 -1.26 -1.42 118.68 123.96 3bq8 s LEU 70 Ca 0.21 2.03 0.00 0.00 -0.22 0.00 0.00 54.13 56.14 3bq8 s LEU 70 Cb -0.10 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.01 3bq8 s LEU 70 CO 0.12 -0.28 -0.17 -1.00 -1.32 0.00 0.00 176.35 173.70 3bq8 s HIS 71 N 0.19 2.79 -0.17 5.38 3.76 0.43 -4.91 115.29 122.76 3bq8 s HIS 71 Ca 0.52 -1.40 -0.01 0.00 -0.15 0.00 0.00 55.06 54.01 3bq8 s HIS 71 Cb -0.28 -1.93 -0.01 0.00 1.11 0.00 0.00 32.58 31.47 3bq8 s HIS 71 CO 0.33 -0.69 -0.11 0.08 -0.85 0.00 0.00 174.74 173.49 3bq8 s VAL 72 N 1.19 2.97 0.08 -0.90 1.01 -1.26 -0.42 120.40 123.07 3bq8 s VAL 72 Ca 0.02 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.23 3bq8 s VAL 72 Cb -0.14 -2.29 -0.06 0.00 0.00 0.00 0.00 36.38 33.89 3bq8 s VAL 72 CO -0.08 0.49 0.43 -0.70 0.00 0.00 0.00 175.10 175.24 3bq8 s GLU 73 N 0.94 3.83 -0.43 2.72 2.12 -1.26 -5.03 118.70 121.59 3bq8 s GLU 73 Ca -0.02 0.28 -0.29 0.00 0.36 0.00 0.00 54.97 55.30 3bq8 s GLU 73 Cb -0.15 -3.02 0.02 0.00 0.26 0.00 0.00 34.13 31.24 3bq8 s GLU 73 CO -0.01 0.57 1.34 -0.48 -0.54 0.00 0.00 175.26 176.14 3bq8 s LEU 74 N -1.78 3.59 0.00 2.70 2.34 -1.26 -4.87 118.68 119.40 3bq8 s LEU 74 Ca 0.32 0.71 0.00 0.00 0.06 0.00 0.00 54.13 55.23 3bq8 s LEU 74 Cb -0.15 -3.53 0.00 0.00 -0.56 0.00 0.00 46.19 41.95 3bq8 s LEU 74 CO 0.17 -1.40 0.09 -0.81 -1.06 0.00 0.00 176.35 173.35 3bq8 n PRO 75 N 8.04 0.00 0.00 1.48 -0.04 -1.26 -5.19 135.00 138.03 3bq8 n PRO 75 Ca 0.15 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 3bq8 n PRO 75 Cb 0.48 -0.81 0.00 0.00 -0.04 0.00 0.00 33.50 33.13 3bq8 n PRO 75 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3bq8 n PRO 83 N -1.25 0.00 0.00 0.54 -0.04 -1.26 -5.20 135.00 127.79 3bq8 n PRO 83 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3bq8 n PRO 83 Cb 0.00 -0.30 0.00 0.00 -0.04 0.00 0.00 33.50 33.16 3bq8 n PRO 83 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3bq8 n THR 84 N 0.30 0.00 -3.60 0.52 -2.24 -1.26 0.34 114.28 108.34 3bq8 n THR 84 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 3bq8 n THR 84 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 3bq8 n THR 84 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3bq8 s THR 86 N 0.43 0.00 0.00 4.28 2.01 -1.26 -4.82 115.64 116.28 3bq8 s THR 86 Ca 0.00 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.03 3bq8 s THR 86 Cb 0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 3bq8 s THR 86 CO 0.00 0.00 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.07 3bq8 s LEU 87 N -0.36 2.06 -0.06 4.42 1.02 0.04 -0.82 118.68 124.98 3bq8 s LEU 87 Ca -0.01 -0.25 0.04 0.00 0.02 0.00 0.00 54.13 53.93 3bq8 s LEU 87 Cb -0.03 -0.50 -0.00 0.00 0.02 0.00 0.00 46.19 45.68 3bq8 s LEU 87 CO -0.00 0.08 -0.18 -0.63 0.02 0.00 0.00 176.35 175.64 3bq8 s ILE 88 N -0.42 1.55 0.24 -0.59 1.01 0.10 -0.17 121.20 122.92 3bq8 s ILE 88 Ca 0.02 -0.76 0.08 0.00 0.00 0.00 0.00 60.65 60.00 3bq8 s ILE 88 Cb -0.05 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 41.03 3bq8 s ILE 88 CO -0.00 0.44 -0.14 -0.31 0.00 0.00 0.00 174.94 174.94 3bq8 s TYR 89 N 0.19 1.91 0.00 3.97 1.51 -0.32 -0.91 117.35 123.70 3bq8 s TYR 89 Ca -0.08 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.43 3bq8 s TYR 89 Cb -0.14 -0.92 0.00 0.00 -0.11 0.00 0.00 41.96 40.79 3bq8 s TYR 89 CO 0.04 0.43 0.00 -0.40 -1.11 0.00 0.00 175.55 174.50 3bq8 n ASP 90 N -0.49 0.00 0.25 2.29 3.85 -0.73 -1.95 116.55 119.77 3bq8 n ASP 90 Ca -0.07 -1.00 0.07 0.00 -0.71 0.00 0.00 54.79 53.08 3bq8 n ASP 90 Cb 0.61 -0.00 0.58 0.00 -1.35 0.00 0.00 41.12 40.96 3bq8 n ASP 90 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 3bq8 h GLU 91 N 0.00 0.00 -0.02 0.11 4.11 -1.91 -2.16 114.58 114.71 3bq8 h GLU 91 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3bq8 h GLU 91 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3bq8 h GLU 91 CO 0.00 0.07 -0.09 0.09 0.07 0.00 0.00 179.01 179.16 3bq8 n ASN 92 N -4.45 1.69 0.00 3.06 5.03 -1.26 -4.95 115.26 114.38 3bq8 n ASN 92 Ca -0.03 -1.45 0.00 0.00 0.87 0.00 0.00 54.58 53.97 3bq8 n ASN 92 Cb 0.15 0.06 0.00 0.00 -1.02 0.00 0.00 39.78 38.97 3bq8 n ASN 92 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bq8 n GLY 93 N 1.26 0.72 3.78 7.41 0.00 -0.81 -5.06 105.19 112.48 3bq8 n GLY 93 Ca 0.16 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 3bq8 n GLY 93 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bq8 s GLN 94 N -3.07 3.35 0.13 1.61 1.11 -1.26 -4.84 119.66 116.69 3bq8 s GLN 94 Ca 0.00 -0.25 -0.31 0.00 0.01 0.00 0.00 55.36 54.80 3bq8 s GLN 94 Cb 0.00 -3.06 -0.09 0.00 -1.01 0.00 0.00 33.01 28.86 3bq8 s GLN 94 CO 0.00 0.69 1.47 -1.17 0.01 0.00 0.00 175.29 176.29 3bq8 s LEU 95 N -0.80 4.37 -0.03 2.90 2.96 -1.26 -1.77 118.68 125.05 3bq8 s LEU 95 Ca 0.13 2.45 0.06 0.00 -0.22 0.00 0.00 54.13 56.55 3bq8 s LEU 95 Cb -0.12 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 42.90 3bq8 s LEU 95 CO 0.03 -0.73 0.08 0.18 -1.32 0.00 0.00 176.35 174.58 3bq8 n LEU 96 N 4.01 0.00 -3.64 -0.68 4.32 -0.09 -4.95 117.00 115.98 3bq8 n LEU 96 Ca 0.13 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 56.02 3bq8 n LEU 96 Cb 0.41 0.08 -0.07 0.00 -1.62 0.00 0.00 43.42 42.21 3bq8 n LEU 96 CO 0.60 0.08 0.55 0.86 -1.22 0.00 0.00 177.39 178.26 3bq8 s TRP 97 N -2.28 -0.69 -0.02 -1.77 -0.00 -1.04 -4.99 118.94 108.14 3bq8 s TRP 97 Ca -0.03 1.59 0.03 0.00 -0.00 0.00 0.00 56.10 57.70 3bq8 s TRP 97 Cb 0.03 0.37 -0.00 0.00 -0.00 0.00 0.00 33.47 33.86 3bq8 s TRP 97 CO 0.25 -0.34 -0.12 0.00 -0.00 0.00 0.00 176.95 176.74 3bq8 s ALA 98 N 0.63 1.06 0.16 5.86 0.00 -1.26 0.01 121.76 128.22 3bq8 s ALA 98 Ca -0.01 -0.48 0.26 0.00 0.00 0.00 0.00 51.96 51.72 3bq8 s ALA 98 Cb -0.05 -0.33 1.06 0.00 0.00 0.00 0.00 23.12 23.80 3bq8 s ALA 98 CO -0.07 0.21 1.88 0.37 0.00 0.00 0.00 175.76 178.16 3bq8 h GLN 99 N 6.14 0.00 -2.53 0.00 4.15 -1.39 -3.43 115.11 118.04 3bq8 h GLN 99 Ca -0.33 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 58.99 3bq8 h GLN 99 Cb 1.17 0.00 -0.22 0.00 0.21 0.00 0.00 27.48 28.64 3bq8 h GLN 99 CO 0.49 0.18 -0.10 1.03 -1.93 0.00 0.00 178.83 178.49 3bq8 s ARG 100 N -3.72 0.68 -0.56 1.69 0.52 -1.26 -5.01 118.95 111.29 3bq8 s ARG 100 Ca 0.00 0.46 -0.21 0.00 -0.52 0.00 0.00 55.73 55.46 3bq8 s ARG 100 Cb 0.10 0.32 0.06 0.00 0.52 0.00 0.00 34.95 35.96 3bq8 s ARG 100 CO 0.61 -0.13 0.79 0.16 0.02 0.00 0.00 175.30 176.75 3bq8 s ASP 101 N -0.27 6.24 -0.39 0.23 -4.77 -1.26 -4.96 116.67 111.49 3bq8 s ASP 101 Ca -0.04 -0.84 0.03 0.00 -3.30 0.00 0.00 52.55 48.40 3bq8 s ASP 101 Cb -0.03 -2.36 0.11 0.00 -1.09 0.00 0.00 42.92 39.55 3bq8 s ASP 101 CO 0.03 -1.12 0.13 -0.69 0.70 0.00 0.00 175.17 174.21 3bq8 s VAL 102 N 3.29 2.11 0.18 2.11 1.01 -1.26 -5.01 120.40 122.82 3bq8 s VAL 102 Ca 0.20 -2.51 -0.14 0.00 0.00 0.00 0.00 61.98 59.53 3bq8 s VAL 102 Cb -0.18 -2.53 0.09 0.00 0.00 0.00 0.00 36.38 33.77 3bq8 s VAL 102 CO 0.13 -0.69 1.71 -0.65 0.00 0.00 0.00 175.10 175.60 3bq8 h PRO 103 N 7.30 0.19 0.00 2.72 0.11 -2.01 -2.39 132.00 137.91 3bq8 h PRO 103 Ca -0.06 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 3bq8 h PRO 103 Cb 0.98 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 3bq8 h PRO 103 CO 0.56 0.12 -0.02 0.11 -0.21 0.00 0.00 178.00 178.56 3bq8 h TRP 104 N 0.19 0.00 0.00 0.65 5.08 -2.00 -3.09 115.95 116.78 3bq8 h TRP 104 Ca 0.22 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.19 3bq8 h TRP 104 Cb 0.30 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.46 3bq8 h TRP 104 CO -0.23 0.02 0.00 -0.11 -1.28 0.00 0.00 178.44 176.83 3bq8 n LEU 105 N -4.17 2.93 -2.05 0.11 7.94 -0.90 -4.90 117.00 115.96 3bq8 n LEU 105 Ca -0.03 -1.41 -0.02 0.00 -1.11 0.00 0.00 56.01 53.44 3bq8 n LEU 105 Cb 0.10 -0.54 -0.00 0.00 0.53 0.00 0.00 43.42 43.51 3bq8 n LEU 105 CO 0.31 0.51 -0.02 0.29 -1.11 0.00 0.00 177.39 177.38 3bq8 n LYS 107 N 0.86 -0.99 -0.95 1.96 5.02 -1.17 -4.98 118.16 117.91 3bq8 n LYS 107 Ca 0.00 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3bq8 n LYS 107 Cb 0.40 -0.24 0.00 0.00 -0.02 0.00 0.00 35.03 35.17 3bq8 n LYS 107 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3bq8 n ILE 109 N -0.91 -0.36 -1.83 -0.18 2.08 -1.26 -5.05 119.36 111.86 3bq8 n ILE 109 Ca -0.00 0.06 -0.42 0.00 0.56 0.00 0.00 62.75 62.94 3bq8 n ILE 109 Cb 0.03 -0.68 -0.03 0.00 -0.75 0.00 0.00 39.64 38.22 3bq8 n ILE 109 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 3bq8 s GLN 110 N -0.11 4.17 0.56 0.38 -0.21 -1.26 -4.85 119.66 118.33 3bq8 s GLN 110 Ca 0.00 2.46 0.29 0.00 0.02 0.00 0.00 55.36 58.14 3bq8 s GLN 110 Cb 0.00 -3.51 1.46 0.00 1.00 0.00 0.00 33.01 31.97 3bq8 s GLN 110 CO 0.00 -0.77 1.90 -1.00 -2.12 0.00 0.00 175.29 173.31 3bq8 h PRO 111 N 8.15 0.00 -0.15 2.91 0.13 -1.97 0.23 132.00 141.31 3bq8 h PRO 111 Ca -0.44 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.64 3bq8 h PRO 111 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3bq8 h PRO 111 CO 0.94 0.00 -0.11 -0.44 -0.23 0.00 0.00 178.00 178.16 3bq8 h ASP 112 N 0.00 0.22 0.30 1.44 5.19 -2.02 -2.66 116.42 118.89 3bq8 h ASP 112 Ca 0.31 -0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.64 3bq8 h ASP 112 Cb 1.40 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 40.84 3bq8 h ASP 112 CO -0.00 0.36 -0.17 -0.50 -3.12 0.00 0.00 179.24 175.81 3bq8 h TRP 113 N 0.22 0.00 0.00 4.55 6.55 -0.89 -2.96 115.95 123.42 3bq8 h TRP 113 Ca 0.05 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.89 3bq8 h TRP 113 Cb 0.34 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.64 3bq8 h TRP 113 CO 0.01 0.17 0.00 1.28 -1.05 0.00 0.00 178.44 178.84 3bq8 n LEU 114 N -3.92 0.00 0.09 -4.49 4.77 -1.00 -3.33 117.00 109.12 3bq8 n LEU 114 Ca -0.02 0.32 -0.14 0.00 -0.03 0.00 0.00 56.01 56.14 3bq8 n LEU 114 Cb 0.26 -0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 40.94 3bq8 n LEU 114 CO 0.33 -0.13 0.07 0.11 -1.33 0.00 0.00 177.39 176.44 3bq8 h LYS 115 N 0.00 0.32 -4.84 3.23 1.79 -1.69 -3.48 116.57 111.90 3bq8 h LYS 115 Ca 0.00 -0.43 -0.30 0.00 -2.18 0.00 0.00 60.65 57.74 3bq8 h LYS 115 Cb 0.19 0.14 -0.15 0.00 -1.58 0.00 0.00 32.23 30.84 3bq8 h LYS 115 CO 0.00 1.15 -0.67 -1.12 -1.08 0.00 0.00 179.45 177.73 3bq8 s SER 116 N -7.10 1.32 0.41 0.86 0.01 -1.21 -4.99 113.70 102.99 3bq8 s SER 116 Ca -0.05 -1.15 -0.25 0.00 1.31 0.00 0.00 55.95 55.81 3bq8 s SER 116 Cb 0.08 0.09 -0.08 0.00 0.21 0.00 0.00 66.02 66.32 3bq8 s SER 116 CO 0.87 -0.54 1.21 0.20 0.41 0.00 0.00 173.24 175.40 3bq8 s ASN 117 N -3.18 6.43 -0.02 2.44 -0.87 -1.26 -4.68 114.94 113.79 3bq8 s ASN 117 Ca 0.23 2.44 -0.30 0.00 -1.57 0.00 0.00 52.86 53.65 3bq8 s ASN 117 Cb 0.06 -2.62 0.12 0.00 -0.02 0.00 0.00 41.25 38.78 3bq8 s ASN 117 CO 0.04 -0.75 1.21 -0.83 -2.57 0.00 0.00 177.10 174.19 3bq8 s GLY 118 N -1.03 -0.37 -0.12 0.66 0.00 0.01 -4.97 107.32 101.50 3bq8 s GLY 118 Ca 0.57 0.80 0.02 0.00 0.00 0.00 0.00 44.72 46.11 3bq8 s GLY 118 CO 0.41 0.19 -0.16 -0.12 0.00 0.00 0.00 173.10 173.43 3bq8 s PHE 119 N -2.58 2.15 0.34 1.90 2.19 -1.26 -0.50 117.98 120.22 3bq8 s PHE 119 Ca 0.12 -1.07 0.03 0.00 0.33 0.00 0.00 56.93 56.35 3bq8 s PHE 119 Cb 0.03 -1.54 -0.04 0.00 -1.31 0.00 0.00 43.02 40.16 3bq8 s PHE 119 CO -0.03 -0.55 0.12 -1.01 1.83 0.00 0.00 175.22 175.58 3bq8 s HIS 120 N 1.06 1.74 -0.00 10.12 3.76 0.23 -4.99 115.29 127.20 3bq8 s HIS 120 Ca -0.04 -1.23 0.02 0.00 -0.15 0.00 0.00 55.06 53.66 3bq8 s HIS 120 Cb -0.15 -1.07 -0.01 0.00 1.11 0.00 0.00 32.58 32.47 3bq8 s HIS 120 CO -0.04 -0.30 -0.07 -1.21 -0.85 0.00 0.00 174.74 172.27 3bq8 s GLU 121 N -3.82 0.59 0.02 1.40 2.02 -1.26 -0.20 118.70 117.46 3bq8 s GLU 121 Ca 0.32 -0.28 0.04 0.00 0.02 0.00 0.00 54.97 55.07 3bq8 s GLU 121 Cb 0.05 -0.57 -0.02 0.00 0.10 0.00 0.00 34.13 33.70 3bq8 s GLU 121 CO 0.16 0.15 -0.13 0.96 0.02 0.00 0.00 175.26 176.42 3bq8 s ILE 122 N -0.22 1.04 0.30 -1.63 -4.36 -0.80 -4.95 121.20 110.58 3bq8 s ILE 122 Ca 0.02 -0.84 -0.03 0.00 -0.26 0.00 0.00 60.65 59.54 3bq8 s ILE 122 Cb -0.03 -0.93 -0.05 0.00 1.25 0.00 0.00 42.46 42.71 3bq8 s ILE 122 CO -0.00 0.08 0.54 -0.70 0.24 0.00 0.00 174.94 175.09 3bq8 s GLU 123 N -0.87 3.58 -0.13 0.37 2.12 -1.26 -1.52 118.70 120.99 3bq8 s GLU 123 Ca 0.02 -0.12 -0.30 0.00 0.36 0.00 0.00 54.97 54.93 3bq8 s GLU 123 Cb -0.07 -2.67 0.11 0.00 0.26 0.00 0.00 34.13 31.76 3bq8 s GLU 123 CO 0.01 0.21 0.88 0.00 -0.54 0.00 0.00 175.26 175.82 3bq8 s ALA 124 N -2.13 -1.87 1.01 6.30 0.00 -1.26 -4.97 121.76 118.84 3bq8 s ALA 124 Ca 0.42 1.51 -0.16 0.00 0.00 0.00 0.00 51.96 53.73 3bq8 s ALA 124 Cb -0.10 -0.49 0.21 0.00 0.00 0.00 0.00 23.12 22.73 3bq8 s ALA 124 CO 0.32 -0.33 1.25 0.16 0.00 0.00 0.00 175.76 177.16 3bq8 s ASP 125 N -1.06 2.67 0.22 0.00 1.47 -1.26 -4.48 116.67 114.23 3bq8 s ASP 125 Ca -0.05 0.42 -0.03 0.00 1.18 0.00 0.00 52.55 54.07 3bq8 s ASP 125 Cb -0.01 -0.57 0.21 0.00 -0.34 0.00 0.00 42.92 42.22 3bq8 s ASP 125 CO 0.04 -3.02 1.63 0.58 0.68 0.00 0.00 175.17 175.08 3bq8 h VAL 126 N -1.84 1.28 -0.86 2.11 2.07 -1.80 -1.80 116.25 115.41 3bq8 h VAL 126 Ca -0.45 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 65.69 3bq8 h VAL 126 Cb 1.26 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 3bq8 h VAL 126 CO 0.40 0.45 0.57 -1.13 0.02 0.00 0.00 177.57 177.88 3bq8 h ASN 127 N 0.60 0.97 -0.02 0.57 -1.24 -1.91 -1.23 115.58 113.33 3bq8 h ASN 127 Ca 0.08 -0.02 -0.25 0.00 0.71 0.00 0.00 56.30 56.81 3bq8 h ASN 127 Cb 0.77 -0.24 0.02 0.00 0.73 0.00 0.00 38.32 39.60 3bq8 h ASN 127 CO 0.06 0.70 -0.95 0.44 -1.29 0.00 0.00 177.43 176.39 3bq8 h ASP 128 N 1.15 0.89 -0.61 1.15 3.45 -1.91 -2.77 116.42 117.77 3bq8 h ASP 128 Ca 0.32 -0.67 0.00 0.00 0.43 0.00 0.00 57.03 57.11 3bq8 h ASP 128 Cb -0.11 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 38.36 3bq8 h ASP 128 CO -0.08 1.47 0.39 0.74 -1.57 0.00 0.00 179.24 180.19 3bq8 h THR 129 N 0.43 1.17 0.00 0.35 2.02 -1.09 -1.80 112.91 113.99 3bq8 h THR 129 Ca -0.10 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3bq8 h THR 129 Cb 1.59 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 3bq8 h THR 129 CO 0.19 0.17 0.00 0.77 0.37 0.00 0.00 175.52 177.01 3bq8 h SER 130 N 0.83 0.00 1.45 4.18 4.64 -1.24 -0.75 113.55 122.66 3bq8 h SER 130 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3bq8 h SER 130 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3bq8 h SER 130 CO -0.04 0.00 -0.16 -0.07 -0.87 0.00 0.00 176.83 175.68 3bq8 h LEU 131 N 0.00 0.00 0.00 5.97 3.38 -1.04 -3.15 115.31 120.47 3bq8 h LEU 131 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3bq8 h LEU 131 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3bq8 h LEU 131 CO 0.00 0.02 0.00 0.18 0.09 0.00 0.00 178.44 178.73 3bq8 n LEU 132 N -2.42 0.00 0.00 1.67 4.77 -0.29 -4.21 117.00 116.52 3bq8 n LEU 132 Ca 0.05 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3bq8 n LEU 132 Cb 0.46 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3bq8 n LEU 132 CO 0.33 -0.00 -0.12 0.18 -1.33 0.00 0.00 177.39 176.44 3bq8 n LEU 133 N -1.07 0.00 0.00 2.23 4.32 -1.19 -4.94 117.00 116.35 3bq8 n LEU 133 Ca 0.20 -0.08 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 3bq8 n LEU 133 Cb 0.13 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 3bq8 n LEU 133 CO 0.18 0.00 0.00 -1.20 -1.22 0.00 0.00 177.39 175.15 3bq8 n SER 134 N -0.52 0.00 -0.64 -1.43 7.64 -1.22 -5.03 113.62 112.42 3bq8 n SER 134 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3bq8 n SER 134 Cb 0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 3bq8 n SER 134 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bq8 n GLY 135 N -0.82 0.00 1.54 0.23 0.00 -1.26 -5.12 105.19 99.76 3bq8 n GLY 135 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3bq8 n GLY 135 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3bq8 n SER 138 N -2.22 0.37 0.17 1.61 2.88 -1.26 -5.01 113.62 110.16 3bq8 n SER 138 Ca 0.00 0.27 0.14 0.00 -1.33 0.00 0.00 58.87 57.95 3bq8 n SER 138 Cb 0.00 0.05 0.49 0.00 -0.75 0.00 0.00 64.21 64.00 3bq8 n SER 138 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 3bq8 h ILE 139 N 0.00 0.00 -1.10 2.46 6.09 -2.02 -3.28 117.51 119.66 3bq8 h ILE 139 Ca 0.00 -0.44 0.31 0.00 -1.37 0.00 0.00 64.86 63.37 3bq8 h ILE 139 Cb 0.09 1.32 -0.11 0.00 0.47 0.00 0.00 36.82 38.58 3bq8 h ILE 139 CO 0.00 0.00 0.69 1.56 -3.07 0.00 0.00 178.15 177.33 3bq8 h GLN 140 N 0.00 0.32 -0.59 2.19 1.08 -1.99 -0.02 115.11 116.10 3bq8 h GLN 140 Ca 0.00 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3bq8 h GLN 140 Cb 0.54 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.87 3bq8 h GLN 140 CO 0.00 0.21 0.36 -0.56 -0.95 0.00 0.00 178.83 177.89 3bq8 h GLN 141 N 0.33 0.80 0.00 1.46 3.07 -2.01 -1.55 115.11 117.20 3bq8 h GLN 141 Ca 0.67 -0.07 -0.07 0.00 0.09 0.00 0.00 58.65 59.27 3bq8 h GLN 141 Cb 1.76 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 29.14 3bq8 h GLN 141 CO -0.38 0.57 -0.31 1.96 0.09 0.00 0.00 178.83 180.76 3bq8 h GLN 142 N 0.80 0.00 0.00 0.06 4.20 -1.28 -2.16 115.11 116.73 3bq8 h GLN 142 Ca 0.21 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.85 3bq8 h GLN 142 Cb -0.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3bq8 h GLN 142 CO -0.04 0.31 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.03 3bq8 h LEU 143 N 0.00 0.00 -0.49 1.46 3.38 -0.88 -2.96 115.31 115.82 3bq8 h LEU 143 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3bq8 h LEU 143 Cb 0.59 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3bq8 h LEU 143 CO 0.04 0.33 -0.66 1.56 0.09 0.00 0.00 178.44 179.80 3bq8 h GLN 144 N 0.00 0.00 0.00 1.13 4.20 -0.69 -2.25 115.11 117.49 3bq8 h GLN 144 Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 3bq8 h GLN 144 Cb 0.79 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 3bq8 h GLN 144 CO 0.04 0.66 -0.66 1.05 -0.67 0.00 0.00 178.83 179.25 3bq8 h GLU 145 N 0.00 0.00 -0.10 1.46 4.11 -1.51 0.07 114.58 118.61 3bq8 h GLU 145 Ca -0.01 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.21 3bq8 h GLU 145 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3bq8 h GLU 145 CO 0.09 0.10 -0.79 0.28 0.07 0.00 0.00 179.01 178.75 3bq8 h VAL 146 N 0.00 1.33 -0.20 -1.06 2.07 -1.45 -2.80 116.25 114.13 3bq8 h VAL 146 Ca -0.02 -2.09 -0.17 0.00 0.82 0.00 0.00 66.70 65.24 3bq8 h VAL 146 Cb 1.12 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.98 3bq8 h VAL 146 CO 0.01 0.65 -0.56 -0.09 0.02 0.00 0.00 177.57 177.60 3bq8 h ARG 147 N 0.40 0.61 0.00 1.57 2.43 -1.39 -2.61 114.38 115.38 3bq8 h ARG 147 Ca -0.05 -0.39 -0.04 0.00 -0.81 0.00 0.00 59.98 58.69 3bq8 h ARG 147 Cb 1.40 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.99 3bq8 h ARG 147 CO 0.15 1.00 -0.21 1.49 -1.51 0.00 0.00 179.97 180.89 3bq8 h GLU 148 N 0.46 0.00 -0.05 0.20 4.81 -0.87 -2.89 114.58 116.25 3bq8 h GLU 148 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3bq8 h GLU 148 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3bq8 h GLU 148 CO 0.11 0.21 0.00 -0.40 -0.73 0.00 0.00 179.01 178.20 3bq8 n ASP 149 N -3.72 2.30 0.00 1.04 5.68 -1.07 -4.87 116.55 115.91 3bq8 n ASP 149 Ca -0.01 -1.64 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 3bq8 n ASP 149 Cb 0.32 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 3bq8 n ASP 149 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3bq8 n ASP 150 N 0.83 0.00 0.00 -1.12 2.03 -0.99 -5.01 116.55 112.30 3bq8 n ASP 150 Ca 0.09 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.46 3bq8 n ASP 150 Cb 0.38 0.00 0.33 0.00 -0.72 0.00 0.00 41.12 41.11 3bq8 n ASP 150 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3bq8 n ASP 151 N 0.00 0.00 -0.94 1.67 5.68 -1.10 -1.75 116.55 120.11 3bq8 n ASP 151 Ca 0.00 -0.23 0.08 0.00 -0.50 0.00 0.00 54.79 54.14 3bq8 n ASP 151 Cb 0.00 -0.08 0.25 0.00 -1.14 0.00 0.00 41.12 40.15 3bq8 n ASP 151 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3bq8 n ASP 152 N -1.08 3.82 -4.76 -1.12 8.00 -1.26 -4.67 116.55 115.47 3bq8 n ASP 152 Ca 0.08 -2.72 -0.41 0.00 0.71 0.00 0.00 54.79 52.45 3bq8 n ASP 152 Cb 0.05 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 3bq8 n ASP 152 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bq8 n ALA 153 N -0.08 2.16 -3.30 2.24 0.00 -0.72 -4.92 120.51 115.89 3bq8 n ALA 153 Ca 0.20 0.32 -0.25 0.00 0.00 0.00 0.00 53.44 53.70 3bq8 n ALA 153 Cb 0.79 -2.39 0.05 0.00 0.00 0.00 0.00 19.45 17.90 3bq8 n ALA 153 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3bq8 n GLU 154 N 0.28 0.64 -3.64 0.00 1.02 -1.26 -2.97 120.64 114.71 3bq8 n GLU 154 Ca 0.03 -3.13 -0.10 0.00 -0.02 0.00 0.00 57.16 53.94 3bq8 n GLU 154 Cb 0.39 -0.05 -0.07 0.00 -0.02 0.00 0.00 31.44 31.69 3bq8 n GLU 154 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3bq8 s THR 156 N -2.55 0.00 -0.04 2.62 2.01 -1.26 -4.92 115.64 111.50 3bq8 s THR 156 Ca 0.50 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.55 3bq8 s THR 156 Cb -0.04 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.47 3bq8 s THR 156 CO 0.32 0.00 -0.17 -1.00 -0.69 0.00 0.00 174.62 173.08 3bq8 s HIS 157 N 0.81 1.69 0.37 4.92 3.76 -0.57 -0.32 115.29 125.95 3bq8 s HIS 157 Ca -0.03 -0.46 -0.24 0.00 -0.15 0.00 0.00 55.06 54.18 3bq8 s HIS 157 Cb -0.05 -1.13 -0.10 0.00 1.11 0.00 0.00 32.58 32.42 3bq8 s HIS 157 CO -0.08 -0.14 1.00 -1.12 -0.85 0.00 0.00 174.74 173.54 3bq8 s SER 158 N -0.04 7.01 -0.06 1.40 0.01 -1.26 -1.91 113.70 118.85 3bq8 s SER 158 Ca -0.02 1.92 -0.00 0.00 1.31 0.00 0.00 55.95 59.16 3bq8 s SER 158 Cb -0.11 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.57 3bq8 s SER 158 CO 0.02 -0.31 -0.02 -0.69 0.41 0.00 0.00 173.24 172.65 3bq8 s VAL 159 N -1.70 0.48 -0.14 3.43 1.01 0.72 -2.00 120.40 122.20 3bq8 s VAL 159 Ca 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.51 3bq8 s VAL 159 Cb -0.19 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 3bq8 s VAL 159 CO 0.24 0.25 -0.06 0.00 0.00 0.00 0.00 175.10 175.54 3bq8 s ALA 160 N 1.55 2.93 -0.12 5.51 0.00 0.10 -0.60 121.76 131.12 3bq8 s ALA 160 Ca -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3bq8 s ALA 160 Cb -0.13 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 3bq8 s ALA 160 CO -0.04 0.27 -0.14 0.08 0.00 0.00 0.00 175.76 175.93 3bq8 s VAL 161 N 0.19 2.94 -0.02 0.00 1.01 0.35 -1.13 120.40 123.73 3bq8 s VAL 161 Ca -0.03 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.25 3bq8 s VAL 161 Cb -0.14 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.03 3bq8 s VAL 161 CO 0.03 0.53 -0.05 0.20 0.00 0.00 0.00 175.10 175.81 3bq8 s ASN 162 N 0.30 0.80 -0.15 3.32 0.01 -0.66 -0.81 114.94 117.75 3bq8 s ASN 162 Ca -0.11 -0.11 -0.04 0.00 -0.71 0.00 0.00 52.86 51.89 3bq8 s ASN 162 Cb -0.16 -0.27 -0.03 0.00 0.41 0.00 0.00 41.25 41.20 3bq8 s ASN 162 CO 0.06 0.00 -0.01 -0.69 -1.51 0.00 0.00 177.10 174.95 3bq8 s VAL 163 N 0.44 4.17 -0.30 1.60 1.01 -1.26 -1.03 120.40 125.02 3bq8 s VAL 163 Ca -0.05 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.68 3bq8 s VAL 163 Cb -0.09 -2.82 0.07 0.00 0.00 0.00 0.00 36.38 33.54 3bq8 s VAL 163 CO -0.00 0.51 -0.02 -0.31 0.00 0.00 0.00 175.10 175.27 3bq8 s TYR 164 N 0.14 3.42 0.64 5.22 1.51 -0.42 -4.98 117.35 122.88 3bq8 s TYR 164 Ca 0.01 -2.42 -0.17 0.00 -1.01 0.00 0.00 57.07 53.48 3bq8 s TYR 164 Cb -0.13 -2.32 -0.05 0.00 -0.11 0.00 0.00 41.96 39.35 3bq8 s TYR 164 CO 0.02 -0.89 0.70 -2.30 -1.11 0.00 0.00 175.55 171.97 3bq8 n PRO 165 N 4.44 0.54 -1.40 -1.71 -0.02 -1.26 -0.92 135.00 134.67 3bq8 n PRO 165 Ca -0.08 0.22 -0.33 0.00 -2.02 0.00 0.00 63.50 61.29 3bq8 n PRO 165 Cb 0.42 -1.93 0.09 0.00 -0.02 0.00 0.00 33.50 32.07 3bq8 n PRO 165 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bq8 s ALA 166 N -1.73 2.12 0.00 3.55 0.00 -1.26 -4.47 121.76 119.96 3bq8 s ALA 166 Ca 0.71 0.75 0.00 0.00 0.00 0.00 0.00 51.96 53.41 3bq8 s ALA 166 Cb -0.40 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.30 3bq8 s ALA 166 CO 0.53 -1.86 0.00 0.25 0.00 0.00 0.00 175.76 174.67 3bq8 n THR 167 N -2.89 0.00 0.02 0.00 -2.24 -1.26 -4.83 114.28 103.09 3bq8 n THR 167 Ca 0.12 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.95 3bq8 n THR 167 Cb 0.51 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.84 3bq8 n THR 167 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3bq8 n SER 168 N 0.00 2.51 -0.19 3.42 7.64 -1.26 -4.81 113.62 120.93 3bq8 n SER 168 Ca 0.00 -1.81 0.01 0.00 1.01 0.00 0.00 58.87 58.08 3bq8 n SER 168 Cb 0.00 -0.14 0.01 0.00 -1.01 0.00 0.00 64.21 63.07 3bq8 n SER 168 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3bq8 n ARG 169 N 0.45 0.48 -4.51 1.43 1.74 -1.26 -5.23 116.66 109.76 3bq8 n ARG 169 Ca 0.09 -1.00 -0.24 0.00 -0.77 0.00 0.00 57.85 55.92 3bq8 n ARG 169 Cb 0.36 -0.66 -0.10 0.00 -1.02 0.00 0.00 32.46 31.03 3bq8 n ARG 169 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3bq8 s PRO 171 N -0.40 1.73 0.16 5.56 0.04 -1.26 -4.57 135.00 136.26 3bq8 s PRO 171 Ca 0.03 -1.89 -0.34 0.00 0.04 0.00 0.00 61.00 58.85 3bq8 s PRO 171 Cb 0.03 -1.53 -0.14 0.00 0.04 0.00 0.00 34.50 32.89 3bq8 s PRO 171 CO 0.00 0.11 1.50 1.17 0.04 0.00 0.00 177.00 179.82 3bq8 n LYS 172 N -0.72 1.94 -4.39 4.56 4.81 -1.26 -4.47 118.16 118.64 3bq8 n LYS 172 Ca -0.05 0.70 -0.19 0.00 -0.87 0.00 0.00 58.31 57.90 3bq8 n LYS 172 Cb 0.63 -2.42 -0.10 0.00 0.02 0.00 0.00 35.03 33.16 3bq8 n LYS 172 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3bq8 s LEU 173 N 0.69 1.98 -0.08 3.14 1.43 -0.09 -3.45 118.68 122.28 3bq8 s LEU 173 Ca 0.78 -1.36 -0.03 0.00 -1.03 0.00 0.00 54.13 52.48 3bq8 s LEU 173 Cb -0.72 -0.22 0.05 0.00 0.03 0.00 0.00 46.19 45.33 3bq8 s LEU 173 CO 0.42 -0.64 0.16 -0.89 0.23 0.00 0.00 176.35 175.62 3bq8 s THR 174 N -3.48 -0.25 -0.11 5.49 2.01 -0.83 -1.31 115.64 117.16 3bq8 s THR 174 Ca 0.36 0.35 -0.03 0.00 0.31 0.00 0.00 61.69 62.68 3bq8 s THR 174 Cb 0.08 -0.29 -0.03 0.00 0.01 0.00 0.00 72.50 72.27 3bq8 s THR 174 CO 0.14 0.15 0.00 -0.63 -0.69 0.00 0.00 174.62 173.59 3bq8 s ILE 175 N 2.24 4.28 -0.12 1.82 1.01 -0.20 -1.17 121.20 129.05 3bq8 s ILE 175 Ca 0.03 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.46 3bq8 s ILE 175 Cb -0.12 -2.83 0.00 0.00 0.01 0.00 0.00 42.46 39.52 3bq8 s ILE 175 CO -0.06 0.56 -0.22 -0.69 0.00 0.00 0.00 174.94 174.53 3bq8 s VAL 176 N -0.46 2.13 -0.08 2.92 1.01 0.76 -1.65 120.40 125.02 3bq8 s VAL 176 Ca 0.08 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.13 3bq8 s VAL 176 Cb -0.12 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 3bq8 s VAL 176 CO 0.02 0.55 -0.24 -0.69 0.00 0.00 0.00 175.10 174.75 3bq8 s VAL 177 N 0.55 1.99 -0.10 2.92 1.01 -0.28 -0.78 120.40 125.70 3bq8 s VAL 177 Ca -0.13 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 60.87 3bq8 s VAL 177 Cb -0.17 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 3bq8 s VAL 177 CO 0.04 0.55 -0.19 -0.69 0.00 0.00 0.00 175.10 174.81 3bq8 s VAL 178 N 0.15 2.57 -0.48 2.92 1.01 -1.26 -0.73 120.40 124.59 3bq8 s VAL 178 Ca -0.12 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 60.73 3bq8 s VAL 178 Cb -0.16 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.22 3bq8 s VAL 178 CO 0.06 0.55 1.09 -0.62 0.00 0.00 0.00 175.10 176.19 3bq8 s ASP 179 N 0.19 6.60 0.47 3.32 -1.08 -0.85 -4.06 116.67 121.25 3bq8 s ASP 179 Ca -0.11 0.38 0.30 0.00 -0.52 0.00 0.00 52.55 52.60 3bq8 s ASP 179 Cb -0.16 -2.53 1.17 0.00 -1.46 0.00 0.00 42.92 39.94 3bq8 s ASP 179 CO 0.06 -1.22 1.89 0.71 0.52 0.00 0.00 175.17 177.13 3bq8 h THR 180 N 6.20 0.00 -3.45 1.71 1.35 0.54 -3.39 112.91 115.88 3bq8 h THR 180 Ca -0.23 -0.50 -0.60 0.00 -0.55 0.00 0.00 66.41 64.52 3bq8 h THR 180 Cb 1.06 1.45 -0.10 0.00 -1.73 0.00 0.00 68.15 68.83 3bq8 h THR 180 CO 1.11 0.00 0.13 -0.63 -0.25 0.00 0.00 175.52 175.88 3bq8 s ILE 181 N -3.53 5.01 0.51 6.82 1.01 -1.24 -4.93 121.20 124.85 3bq8 s ILE 181 Ca 0.03 1.14 -0.23 0.00 0.00 0.00 0.00 60.65 61.59 3bq8 s ILE 181 Cb 0.09 -3.93 -0.06 0.00 0.01 0.00 0.00 42.46 38.56 3bq8 s ILE 181 CO 0.53 0.07 1.36 -2.16 0.00 0.00 0.00 174.94 174.75 3bq8 s PRO 182 N 2.18 3.37 0.31 2.79 0.04 -1.26 -4.78 135.00 137.65 3bq8 s PRO 182 Ca 0.27 2.25 0.08 0.00 0.04 0.00 0.00 61.00 63.64 3bq8 s PRO 182 Cb -0.16 -2.40 0.86 0.00 0.04 0.00 0.00 34.50 32.84 3bq8 s PRO 182 CO 0.09 -1.01 1.70 0.28 0.04 0.00 0.00 177.00 178.10 3bq8 h VAL 183 N 1.75 0.45 -0.11 -0.36 2.07 -0.99 -1.34 116.25 117.73 3bq8 h VAL 183 Ca -0.51 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3bq8 h VAL 183 Cb 1.28 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3bq8 h VAL 183 CO 0.59 0.08 0.00 -1.84 0.02 0.00 0.00 177.57 176.42 3bq8 n GLU 184 N -5.00 1.27 -1.24 1.57 0.00 -1.26 -3.52 120.64 112.46 3bq8 n GLU 184 Ca 0.26 -0.39 -0.03 0.00 0.00 0.00 0.00 57.16 57.00 3bq8 n GLU 184 Cb 0.76 -1.12 0.12 0.00 0.00 0.00 0.00 31.44 31.20 3bq8 n GLU 184 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3bq8 n LEU 185 N -0.17 3.02 0.00 -1.84 4.32 -0.51 -5.16 117.00 116.66 3bq8 n LEU 185 Ca 0.04 -3.84 0.00 0.00 -0.02 0.00 0.00 56.01 52.19 3bq8 n LEU 185 Cb 0.11 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.56 3bq8 n LEU 185 CO 0.03 1.46 0.00 0.29 -1.22 0.00 0.00 177.39 177.94