#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x8u s THR 4 N 0.00 -0.37 0.04 0.00 -1.32 -1.26 -5.16 115.64 107.57 1x8u s THR 4 Ca 0.00 0.04 0.01 0.00 -1.21 0.00 0.00 61.69 60.53 1x8u s THR 4 Cb 0.00 -0.60 -0.03 0.00 -1.51 0.00 0.00 72.50 70.37 1x8u s THR 4 CO 0.00 -0.08 -0.06 -0.94 -2.21 0.00 0.00 174.62 171.33 1x8u s SER 5 N 2.37 0.69 -0.07 8.08 1.04 -1.26 -5.15 113.70 119.40 1x8u s SER 5 Ca 0.06 -0.63 0.06 0.00 0.48 0.00 0.00 55.95 55.91 1x8u s SER 5 Cb -0.14 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 1x8u s SER 5 CO -0.11 -0.29 -0.25 -1.81 0.98 0.00 0.00 173.24 171.76 1x8u s ASP 6 N -1.83 3.05 0.03 7.02 -0.00 -1.26 -5.13 116.67 118.55 1x8u s ASP 6 Ca -0.08 -0.52 0.03 0.00 -0.00 0.00 0.00 52.55 51.98 1x8u s ASP 6 Cb -0.07 -0.98 -0.02 0.00 -0.00 0.00 0.00 42.92 41.85 1x8u s ASP 6 CO -0.01 0.22 -0.09 -0.76 -0.00 0.00 0.00 175.17 174.53 1x8u s LEU 7 N -0.03 2.18 0.21 1.23 1.43 -1.26 -5.09 118.68 117.36 1x8u s LEU 7 Ca -0.08 -0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 1x8u s LEU 7 Cb -0.15 -0.29 -0.09 0.00 0.03 0.00 0.00 46.19 45.69 1x8u s LEU 7 CO 0.05 -0.09 1.34 -0.63 0.23 0.00 0.00 176.35 177.25 1x8u s ILE 8 N -0.97 3.07 0.52 -0.59 1.01 -1.26 -4.95 121.20 118.03 1x8u s ILE 8 Ca -0.04 0.89 -0.21 0.00 0.00 0.00 0.00 60.65 61.29 1x8u s ILE 8 Cb -0.08 -3.57 -0.06 0.00 0.01 0.00 0.00 42.46 38.76 1x8u s ILE 8 CO 0.01 0.14 1.20 -2.84 0.00 0.00 0.00 174.94 173.44 1x8u s PRO 9 N -0.21 3.41 0.53 2.79 0.02 -1.26 -4.84 135.00 135.44 1x8u s PRO 9 Ca 0.57 1.83 -0.22 0.00 0.02 0.00 0.00 61.00 63.20 1x8u s PRO 9 Cb -0.38 -2.20 -0.05 0.00 0.02 0.00 0.00 34.50 31.89 1x8u s PRO 9 CO 0.40 -0.85 1.32 0.00 -0.33 0.00 0.00 177.00 177.53 1x8u s ALA 10 N -1.56 2.83 0.58 -1.55 0.00 -1.26 -4.97 121.76 115.83 1x8u s ALA 10 Ca 0.70 1.25 -0.10 0.00 0.00 0.00 0.00 51.96 53.81 1x8u s ALA 10 Cb -0.30 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 1x8u s ALA 10 CO 0.35 -1.25 0.97 -1.25 0.00 0.00 0.00 175.76 174.57 1x8u s PRO 11 N -2.90 3.59 0.48 0.00 0.04 -1.26 -5.01 135.00 129.94 1x8u s PRO 11 Ca 0.71 0.61 -0.22 0.00 0.04 0.00 0.00 61.00 62.14 1x8u s PRO 11 Cb -0.38 -2.16 -0.07 0.00 0.04 0.00 0.00 34.50 31.94 1x8u s PRO 11 CO 0.45 -0.47 1.18 -1.25 0.04 0.00 0.00 177.00 176.95 1x8u s PRO 12 N -5.05 3.61 0.60 0.56 0.04 -1.26 -4.84 135.00 128.66 1x8u s PRO 12 Ca 0.53 1.80 0.29 0.00 0.04 0.00 0.00 61.00 63.66 1x8u s PRO 12 Cb -0.11 -2.32 1.54 0.00 0.04 0.00 0.00 34.50 33.65 1x8u s PRO 12 CO 0.51 -0.68 1.95 -0.07 0.04 0.00 0.00 177.00 178.76 1x8u h LEU 13 N 1.83 0.00 0.00 -3.56 4.07 -1.95 0.83 115.31 116.54 1x8u h LEU 13 Ca -0.50 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.46 1x8u h LEU 13 Cb 1.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.00 1x8u h LEU 13 CO 0.59 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 176.41 1x8u n SER 14 N -3.65 0.00 -1.17 -0.43 3.41 -1.26 -1.21 113.62 109.30 1x8u n SER 14 Ca 0.05 0.47 0.11 0.00 -0.26 0.00 0.00 58.87 59.23 1x8u n SER 14 Cb 0.54 -0.48 0.28 0.00 -0.26 0.00 0.00 64.21 64.29 1x8u n SER 14 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1x8u n LYS 15 N -1.48 2.48 -4.03 4.33 5.02 0.28 -4.81 118.16 119.95 1x8u n LYS 15 Ca 0.04 -2.29 -0.32 0.00 -2.02 0.00 0.00 58.31 53.73 1x8u n LYS 15 Cb 0.18 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.54 1x8u n LYS 15 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1x8u s VAL 16 N -1.19 2.29 0.72 -0.18 1.01 -0.35 -5.00 120.40 117.70 1x8u s VAL 16 Ca 0.42 -2.07 -0.13 0.00 0.00 0.00 0.00 61.98 60.21 1x8u s VAL 16 Cb 0.22 -2.57 0.03 0.00 0.00 0.00 0.00 36.38 34.07 1x8u s VAL 16 CO 0.30 -0.39 1.11 -2.84 0.00 0.00 0.00 175.10 173.28 1x8u s PRO 17 N 0.99 2.44 -0.13 2.72 0.02 -1.26 -5.01 135.00 134.77 1x8u s PRO 17 Ca 0.03 1.35 -0.02 0.00 0.02 0.00 0.00 61.00 62.39 1x8u s PRO 17 Cb -0.19 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.39 1x8u s PRO 17 CO -0.07 -1.53 -0.04 -1.17 -0.33 0.00 0.00 177.00 173.86 1x8u s LEU 18 N -5.37 3.26 0.00 -5.54 2.96 -1.26 -4.07 118.68 108.66 1x8u s LEU 18 Ca 0.66 -0.07 -0.30 0.00 -0.22 0.00 0.00 54.13 54.19 1x8u s LEU 18 Cb -0.20 -1.76 -0.08 0.00 0.50 0.00 0.00 46.19 44.65 1x8u s LEU 18 CO 0.48 0.24 1.84 -1.58 -1.32 0.00 0.00 176.35 176.01 1x8u s GLN 19 N -0.07 4.16 0.56 1.98 2.00 0.30 -4.90 119.66 123.69 1x8u s GLN 19 Ca 0.02 2.44 -0.18 0.00 -2.00 0.00 0.00 55.36 55.64 1x8u s GLN 19 Cb -0.13 -4.07 -0.05 0.00 0.80 0.00 0.00 33.01 29.56 1x8u s GLN 19 CO 0.03 -0.91 1.11 -0.65 -0.50 0.00 0.00 175.29 174.37 1x8u s GLN 20 N 4.22 3.31 -1.24 1.67 -1.52 -1.26 -3.70 119.66 121.14 1x8u s GLN 20 Ca 0.82 1.50 -0.09 0.00 -1.95 0.00 0.00 55.36 55.64 1x8u s GLN 20 Cb -0.39 -2.01 -0.01 0.00 -0.22 0.00 0.00 33.01 30.38 1x8u s GLN 20 CO 0.37 -0.86 0.69 0.09 -0.25 0.00 0.00 175.29 175.33 1x8u n ASN 21 N -1.52 -3.10 -4.72 5.90 3.02 -1.26 -4.84 115.26 108.74 1x8u n ASN 21 Ca 0.11 -0.93 -0.42 0.00 -0.03 0.00 0.00 54.58 53.31 1x8u n ASN 21 Cb 0.52 -3.65 -0.03 0.00 -0.61 0.00 0.00 39.78 36.00 1x8u n ASN 21 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1x8u s PHE 22 N -3.63 3.20 -0.48 3.10 2.19 -1.24 -5.00 117.98 116.13 1x8u s PHE 22 Ca 0.23 0.93 -0.11 0.00 0.33 0.00 0.00 56.93 58.31 1x8u s PHE 22 Cb -0.07 -3.72 0.11 0.00 -1.31 0.00 0.00 43.02 38.02 1x8u s PHE 22 CO 0.84 -2.52 0.37 -0.65 1.83 0.00 0.00 175.22 175.09 1x8u s GLN 23 N 0.90 2.66 0.36 10.12 -1.52 -1.26 -4.81 119.66 126.10 1x8u s GLN 23 Ca 0.64 -1.66 0.03 0.00 -1.95 0.00 0.00 55.36 52.42 1x8u s GLN 23 Cb -0.38 -4.00 0.67 0.00 -0.22 0.00 0.00 33.01 29.07 1x8u s GLN 23 CO 0.32 -1.17 2.00 0.38 -0.25 0.00 0.00 175.29 176.58 1x8u h ASP 24 N 8.57 0.70 -0.56 5.90 -0.00 -2.00 -1.91 116.42 127.12 1x8u h ASP 24 Ca -0.24 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.03 56.70 1x8u h ASP 24 Cb 1.08 -0.17 -0.02 0.00 -0.00 0.00 0.00 39.33 40.22 1x8u h ASP 24 CO 0.89 0.50 0.08 -0.55 -0.00 0.00 0.00 179.24 180.15 1x8u h ASN 25 N 0.82 0.93 1.04 4.15 -1.07 -2.00 -2.58 115.58 116.87 1x8u h ASN 25 Ca 0.24 -0.22 0.00 0.00 0.07 0.00 0.00 56.30 56.40 1x8u h ASN 25 Cb -0.03 -0.25 0.00 0.00 -2.07 0.00 0.00 38.32 35.98 1x8u h ASN 25 CO -0.06 0.94 0.00 0.00 0.07 0.00 0.00 177.43 178.39 1x8u n GLN 26 N -4.22 0.04 0.04 4.14 6.02 -0.76 -3.26 117.38 119.38 1x8u n GLN 26 Ca 0.04 0.05 0.12 0.00 -0.01 0.00 0.00 57.00 57.20 1x8u n GLN 26 Cb 0.29 -1.55 0.21 0.00 1.02 0.00 0.00 30.24 30.21 1x8u n GLN 26 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1x8u n PHE 27 N -1.62 0.35 -0.51 1.08 -0.00 -0.93 -4.79 117.46 111.05 1x8u n PHE 27 Ca 0.07 0.10 -0.29 0.00 -0.00 0.00 0.00 57.45 57.33 1x8u n PHE 27 Cb 0.34 -0.52 0.24 0.00 -0.00 0.00 0.00 39.48 39.55 1x8u n PHE 27 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1x8u n GLN 28 N -1.89 -2.17 0.00 -4.13 6.02 -1.19 -4.83 117.38 109.18 1x8u n GLN 28 Ca 0.04 -0.60 0.00 0.00 -0.01 0.00 0.00 57.00 56.43 1x8u n GLN 28 Cb 0.40 -2.18 0.00 0.00 1.02 0.00 0.00 30.24 29.48 1x8u n GLN 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1x8u n GLY 29 N 0.95 -1.78 3.84 1.08 0.00 0.16 -4.87 105.19 104.56 1x8u n GLY 29 Ca 0.04 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.68 1x8u n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x8u s LYS 30 N 0.00 3.95 -0.01 1.61 2.20 -1.26 -0.94 119.74 125.28 1x8u s LYS 30 Ca 0.00 0.44 0.03 0.00 -0.36 0.00 0.00 55.97 56.09 1x8u s LYS 30 Cb 0.00 -3.16 -0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1x8u s LYS 30 CO 0.00 0.64 -0.10 -1.58 -0.36 0.00 0.00 175.35 173.95 1x8u s TRP 31 N -1.17 0.98 0.12 4.03 0.52 -0.23 -4.76 118.94 118.43 1x8u s TRP 31 Ca 0.27 -0.21 -0.12 0.00 0.02 0.00 0.00 56.10 56.07 1x8u s TRP 31 Cb -0.17 -0.65 -0.06 0.00 -1.15 0.00 0.00 33.47 31.44 1x8u s TRP 31 CO 0.16 -0.05 0.47 0.71 0.02 0.00 0.00 176.95 178.26 1x8u s TYR 32 N -0.11 3.58 -0.76 -1.98 2.02 0.12 -0.66 117.35 119.56 1x8u s TYR 32 Ca 0.02 0.91 -0.21 0.00 -0.37 0.00 0.00 57.07 57.42 1x8u s TYR 32 Cb -0.06 -2.26 0.10 0.00 -0.40 0.00 0.00 41.96 39.35 1x8u s TYR 32 CO -0.00 0.46 1.00 0.08 -1.57 0.00 0.00 175.55 175.52 1x8u s VAL 33 N -1.46 4.55 -0.25 0.71 1.01 -0.88 -0.24 120.40 123.84 1x8u s VAL 33 Ca 0.36 -0.94 0.23 0.00 0.00 0.00 0.00 61.98 61.63 1x8u s VAL 33 Cb -0.14 -4.70 0.02 0.00 0.00 0.00 0.00 36.38 31.56 1x8u s VAL 33 CO 0.19 -1.44 1.08 -0.37 0.00 0.00 0.00 175.10 174.56 1x8u h VAL 34 N 5.91 0.00 -3.96 2.92 -1.51 -1.20 -3.41 116.25 115.00 1x8u h VAL 34 Ca -0.11 -0.99 -0.20 0.00 -1.23 0.00 0.00 66.70 64.17 1x8u h VAL 34 Cb 1.05 1.53 -0.21 0.00 -2.13 0.00 0.00 31.29 31.53 1x8u h VAL 34 CO 1.14 0.00 -0.71 -0.83 -1.23 0.00 0.00 177.57 175.94 1x8u s GLY 35 N -4.35 0.28 -0.13 5.19 0.00 -0.95 -3.57 107.32 103.80 1x8u s GLY 35 Ca 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 44.72 44.07 1x8u s GLY 35 CO 0.78 -0.65 0.29 -2.27 0.00 0.00 0.00 173.10 171.24 1x8u s LEU 36 N -1.40 0.09 -0.01 0.66 2.96 -0.08 -0.73 118.68 120.18 1x8u s LEU 36 Ca -0.14 0.63 -0.05 0.00 -0.22 0.00 0.00 54.13 54.35 1x8u s LEU 36 Cb -0.09 0.86 -0.00 0.00 0.50 0.00 0.00 46.19 47.46 1x8u s LEU 36 CO -0.01 -0.19 0.10 0.00 -1.32 0.00 0.00 176.35 174.93 1x8u s ALA 37 N 1.65 -0.23 0.00 5.97 0.00 -0.26 0.41 121.76 129.29 1x8u s ALA 37 Ca -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1x8u s ALA 37 Cb -0.11 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.05 1x8u s ALA 37 CO -0.09 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1x8u n GLY 38 N 1.90 0.40 0.03 0.00 0.00 -0.95 0.75 105.19 107.32 1x8u n GLY 38 Ca -0.20 -0.93 0.13 0.00 0.00 0.00 0.00 46.02 45.02 1x8u n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x8u n ASN 39 N 0.00 0.21 -0.47 1.61 0.23 -0.81 -2.63 115.26 113.40 1x8u n ASN 39 Ca 0.00 0.52 0.06 0.00 -0.53 0.00 0.00 54.58 54.64 1x8u n ASN 39 Cb 0.00 -0.58 0.16 0.00 -2.08 0.00 0.00 39.78 37.28 1x8u n ASN 39 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x8u n ALA 40 N -1.57 2.43 -2.70 -2.53 0.00 -1.26 -4.65 120.51 110.23 1x8u n ALA 40 Ca 0.06 -1.82 -0.36 0.00 0.00 0.00 0.00 53.44 51.32 1x8u n ALA 40 Cb 0.35 -0.43 -0.08 0.00 0.00 0.00 0.00 19.45 19.29 1x8u n ALA 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x8u s ILE 41 N -2.01 5.34 -0.05 0.00 -1.09 -1.08 -5.09 121.20 117.22 1x8u s ILE 41 Ca 0.27 0.35 0.02 0.00 -2.23 0.00 0.00 60.65 59.06 1x8u s ILE 41 Cb 0.20 -3.56 0.01 0.00 -1.58 0.00 0.00 42.46 37.53 1x8u s ILE 41 CO 0.08 0.37 -0.11 -0.76 -1.23 0.00 0.00 174.94 173.28 1x8u s LEU 42 N 0.78 1.69 0.47 2.97 2.01 -1.26 -4.30 118.68 121.03 1x8u s LEU 42 Ca 0.12 -0.26 -0.24 0.00 0.01 0.00 0.00 54.13 53.75 1x8u s LEU 42 Cb -0.13 -0.73 -0.07 0.00 0.01 0.00 0.00 46.19 45.27 1x8u s LEU 42 CO 0.03 0.05 1.39 0.00 1.01 0.00 0.00 176.35 178.83 1x8u s ARG 43 N 0.47 3.59 -0.39 1.70 1.70 -0.74 -4.96 118.95 120.33 1x8u s ARG 43 Ca -0.10 2.32 0.02 0.00 -0.47 0.00 0.00 55.73 57.51 1x8u s ARG 43 Cb -0.13 -2.56 0.16 0.00 -0.57 0.00 0.00 34.95 31.85 1x8u s ARG 43 CO 0.02 -0.86 0.29 -1.21 -1.08 0.00 0.00 175.30 172.46 1x8u s GLU 44 N -2.55 0.75 0.57 3.89 0.41 -1.26 -4.98 118.70 115.54 1x8u s GLU 44 Ca 0.63 -1.78 0.27 0.00 -0.41 0.00 0.00 54.97 53.68 1x8u s GLU 44 Cb -0.42 -1.35 1.54 0.00 -1.78 0.00 0.00 34.13 32.12 1x8u s GLU 44 CO 0.52 -1.32 2.06 -0.44 -0.49 0.00 0.00 175.26 175.60 1x8u h ASP 45 N 6.20 0.00 0.19 -0.19 3.32 -1.98 -0.70 116.42 123.25 1x8u h ASP 45 Ca 0.18 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1x8u h ASP 45 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1x8u h ASP 45 CO 0.32 0.00 -0.09 0.07 -1.72 0.00 0.00 179.24 177.82 1x8u h LYS 46 N 0.00 -0.24 -2.30 3.56 -0.00 -2.03 -3.37 116.57 112.19 1x8u h LYS 46 Ca 0.13 0.02 -0.61 0.00 -0.00 0.00 0.00 60.65 60.19 1x8u h LYS 46 Cb 0.64 0.05 -0.42 0.00 -0.00 0.00 0.00 32.23 32.50 1x8u h LYS 46 CO -0.00 0.17 -0.57 -3.47 -0.00 0.00 0.00 179.45 175.58 1x8u n ASP 47 N -4.96 3.73 -4.53 7.07 4.64 -0.99 -5.09 116.55 116.42 1x8u n ASP 47 Ca -0.08 -3.42 -0.43 0.00 -1.38 0.00 0.00 54.79 49.48 1x8u n ASP 47 Cb 0.26 -0.69 -0.00 0.00 -1.04 0.00 0.00 41.12 39.65 1x8u n ASP 47 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1x8u n PRO 48 N 0.98 0.97 -1.95 -0.67 -0.04 -0.30 -4.80 135.00 129.18 1x8u n PRO 48 Ca 0.29 0.35 -0.41 0.00 -0.04 0.00 0.00 63.50 63.68 1x8u n PRO 48 Cb 0.40 -1.70 -0.02 0.00 -0.04 0.00 0.00 33.50 32.14 1x8u n PRO 48 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1x8u s GLN 49 N -1.62 4.23 0.08 0.54 2.00 -1.26 -4.91 119.66 118.72 1x8u s GLN 49 Ca 0.62 2.37 -0.16 0.00 -2.00 0.00 0.00 55.36 56.19 1x8u s GLN 49 Cb -0.66 -3.09 -0.07 0.00 0.80 0.00 0.00 33.01 30.00 1x8u s GLN 49 CO 0.58 -0.48 0.53 0.15 -0.50 0.00 0.00 175.29 175.57 1x8u s LYS 50 N -0.39 4.05 0.46 1.67 1.02 -1.26 -1.05 119.74 124.24 1x8u s LYS 50 Ca 0.60 0.57 -0.24 0.00 0.02 0.00 0.00 55.97 56.93 1x8u s LYS 50 Cb -0.43 -3.12 -0.09 0.00 -0.52 0.00 0.00 37.83 33.67 1x8u s LYS 50 CO 0.44 0.59 1.20 -0.12 -0.92 0.00 0.00 175.35 176.54 1x8u n MET 51 N 1.39 1.67 -4.42 1.68 0.00 -0.29 -4.68 117.12 112.48 1x8u n MET 51 Ca -0.09 0.60 -0.22 0.00 -0.00 0.00 0.00 57.70 57.99 1x8u n MET 51 Cb 0.51 -2.32 -0.09 0.00 0.00 0.00 0.00 33.22 31.33 1x8u n MET 51 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 1x8u s TYR 52 N -1.26 1.73 0.11 1.12 1.13 -1.26 -4.70 117.35 114.22 1x8u s TYR 52 Ca 0.64 -1.29 0.04 0.00 -1.41 0.00 0.00 57.07 55.06 1x8u s TYR 52 Cb -0.50 -1.03 -0.04 0.00 -1.10 0.00 0.00 41.96 39.29 1x8u s TYR 52 CO 0.55 -0.37 -0.11 0.00 -2.51 0.00 0.00 175.55 173.12 1x8u s ALA 53 N -3.40 1.26 -0.07 9.51 0.00 -0.90 -2.06 121.76 126.10 1x8u s ALA 53 Ca 0.31 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.99 1x8u s ALA 53 Cb 0.04 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.21 1x8u s ALA 53 CO 0.16 -0.03 -0.06 0.99 0.00 0.00 0.00 175.76 176.82 1x8u s THR 54 N -2.65 0.74 -0.24 0.00 2.01 0.16 -1.00 115.64 114.68 1x8u s THR 54 Ca 0.09 -0.19 -0.07 0.00 0.31 0.00 0.00 61.69 61.83 1x8u s THR 54 Cb -0.02 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.70 1x8u s THR 54 CO 0.00 0.29 0.06 -0.63 -0.69 0.00 0.00 174.62 173.66 1x8u s ILE 55 N 1.24 4.30 -0.28 1.82 1.09 0.20 -1.07 121.20 128.50 1x8u s ILE 55 Ca -0.05 -0.18 -0.11 0.00 -1.10 0.00 0.00 60.65 59.21 1x8u s ILE 55 Cb -0.14 -3.00 -0.05 0.00 -1.06 0.00 0.00 42.46 38.21 1x8u s ILE 55 CO -0.02 0.36 0.20 -0.31 -0.10 0.00 0.00 174.94 175.06 1x8u s TYR 56 N 1.46 3.22 -0.16 3.97 2.02 -0.11 -2.04 117.35 125.71 1x8u s TYR 56 Ca 0.06 0.12 0.01 0.00 -0.37 0.00 0.00 57.07 56.89 1x8u s TYR 56 Cb -0.15 -2.39 0.01 0.00 -0.40 0.00 0.00 41.96 39.04 1x8u s TYR 56 CO 0.03 -0.17 -0.20 -1.21 -1.57 0.00 0.00 175.55 172.43 1x8u s GLU 57 N 1.77 3.03 -0.04 -0.62 0.41 -0.69 0.40 118.70 122.94 1x8u s GLU 57 Ca 0.07 -0.83 -0.30 0.00 -0.41 0.00 0.00 54.97 53.50 1x8u s GLU 57 Cb -0.16 -2.53 -0.03 0.00 -1.78 0.00 0.00 34.13 29.63 1x8u s GLU 57 CO 0.11 -0.11 1.15 -0.51 -0.49 0.00 0.00 175.26 175.41 1x8u s LEU 58 N 1.06 4.29 0.69 1.80 1.43 -1.26 0.51 118.68 127.20 1x8u s LEU 58 Ca -0.01 1.78 -0.03 0.00 -1.03 0.00 0.00 54.13 54.85 1x8u s LEU 58 Cb -0.14 -3.56 0.09 0.00 0.03 0.00 0.00 46.19 42.61 1x8u s LEU 58 CO -0.07 -0.52 0.96 -0.54 0.23 0.00 0.00 176.35 176.41 1x8u s LYS 59 N 1.94 1.96 0.22 1.70 1.02 0.21 -4.93 119.74 121.85 1x8u s LYS 59 Ca 0.55 -0.77 -0.08 0.00 0.02 0.00 0.00 55.97 55.68 1x8u s LYS 59 Cb -0.24 -2.30 0.29 0.00 -0.52 0.00 0.00 37.83 35.06 1x8u s LYS 59 CO 0.23 -1.27 1.79 1.49 -0.92 0.00 0.00 175.35 176.67 1x8u h GLU 60 N -0.46 0.61 0.00 1.68 4.57 -1.97 -0.34 114.58 118.68 1x8u h GLU 60 Ca -0.40 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 1x8u h GLU 60 Cb 1.28 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1x8u h GLU 60 CO 0.48 0.40 0.00 -0.40 -1.18 0.00 0.00 179.01 178.31 1x8u n ASP 61 N -4.84 0.00 -0.20 1.04 5.75 -1.26 -4.85 116.55 112.19 1x8u n ASP 61 Ca 0.10 -1.08 -0.03 0.00 -0.01 0.00 0.00 54.79 53.77 1x8u n ASP 61 Cb 0.23 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.31 1x8u n ASP 61 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1x8u n LYS 62 N -0.63 -0.71 -2.61 0.11 4.76 -0.14 -5.02 118.16 113.92 1x8u n LYS 62 Ca 0.04 0.39 -0.27 0.00 -2.87 0.00 0.00 58.31 55.60 1x8u n LYS 62 Cb 0.02 -4.06 0.01 0.00 -1.84 0.00 0.00 35.03 29.16 1x8u n LYS 62 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1x8u s SER 63 N -2.30 6.01 -0.01 4.39 0.01 -1.26 -4.67 113.70 115.88 1x8u s SER 63 Ca 0.00 0.79 0.00 0.00 1.31 0.00 0.00 55.95 58.05 1x8u s SER 63 Cb 0.00 -2.01 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 1x8u s SER 63 CO 0.00 -0.73 0.04 -0.31 0.41 0.00 0.00 173.24 172.65 1x8u s TYR 64 N -2.79 3.20 -0.27 2.43 1.51 -0.08 -0.62 117.35 120.73 1x8u s TYR 64 Ca 0.49 0.16 -0.13 0.00 -1.01 0.00 0.00 57.07 56.58 1x8u s TYR 64 Cb -0.10 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 39.99 1x8u s TYR 64 CO 0.44 0.51 0.29 1.21 -1.11 0.00 0.00 175.55 176.89 1x8u s ASN 65 N -1.59 6.16 -0.21 2.29 3.84 0.18 -1.66 114.94 123.96 1x8u s ASN 65 Ca 0.21 0.17 -0.03 0.00 0.21 0.00 0.00 52.86 53.41 1x8u s ASN 65 Cb -0.12 -2.17 -0.00 0.00 -0.55 0.00 0.00 41.25 38.41 1x8u s ASN 65 CO 0.11 -0.11 -0.07 -0.69 -2.79 0.00 0.00 177.10 173.55 1x8u s VAL 66 N 1.87 3.14 -0.15 -5.21 1.01 0.12 -1.71 120.40 119.47 1x8u s VAL 66 Ca 0.12 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1x8u s VAL 66 Cb -0.16 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.83 1x8u s VAL 66 CO 0.10 0.45 -0.19 -0.89 0.00 0.00 0.00 175.10 174.57 1x8u s THR 67 N 1.38 1.89 -0.05 3.92 2.01 -0.86 -0.27 115.64 123.66 1x8u s THR 67 Ca 0.05 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.20 1x8u s THR 67 Cb -0.14 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 1x8u s THR 67 CO -0.04 0.51 -0.04 -0.44 -0.69 0.00 0.00 174.62 173.92 1x8u s SER 68 N 1.10 4.86 -0.04 3.53 0.01 0.44 0.59 113.70 124.19 1x8u s SER 68 Ca -0.01 -0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.27 1x8u s SER 68 Cb -0.14 -1.25 0.01 0.00 0.21 0.00 0.00 66.02 64.85 1x8u s SER 68 CO -0.07 0.34 -0.10 0.54 0.41 0.00 0.00 173.24 174.36 1x8u s VAL 69 N -0.91 0.89 0.14 3.43 0.11 -0.17 -0.39 120.40 123.50 1x8u s VAL 69 Ca 0.15 -0.38 0.03 0.00 -2.93 0.00 0.00 61.98 58.84 1x8u s VAL 69 Cb -0.11 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 1x8u s VAL 69 CO 0.04 0.29 -0.06 -0.76 -3.33 0.00 0.00 175.10 171.28 1x8u s LEU 70 N 0.42 2.41 -0.23 2.54 1.02 -0.87 -2.11 118.68 121.85 1x8u s LEU 70 Ca -0.08 -1.06 -0.07 0.00 0.02 0.00 0.00 54.13 52.94 1x8u s LEU 70 Cb -0.12 -0.19 -0.03 0.00 0.02 0.00 0.00 46.19 45.88 1x8u s LEU 70 CO 0.01 -0.44 0.07 0.12 0.02 0.00 0.00 176.35 176.13 1x8u s PHE 71 N -3.51 3.12 -0.23 0.29 5.99 -1.26 -0.44 117.98 121.95 1x8u s PHE 71 Ca 0.17 -0.27 -0.14 0.00 0.00 0.00 0.00 56.93 56.70 1x8u s PHE 71 Cb 0.04 -2.19 0.07 0.00 0.00 0.00 0.00 43.02 40.94 1x8u s PHE 71 CO 0.00 -0.21 0.56 1.03 -0.00 0.00 0.00 175.22 176.60 1x8u s ARG 72 N 1.26 0.58 -1.34 10.12 1.81 -0.10 -4.93 118.95 126.36 1x8u s ARG 72 Ca 0.05 0.98 -0.05 0.00 -1.72 0.00 0.00 55.73 54.99 1x8u s ARG 72 Cb -0.15 0.12 0.02 0.00 -0.45 0.00 0.00 34.95 34.49 1x8u s ARG 72 CO 0.04 -0.14 0.92 1.63 -0.68 0.00 0.00 175.30 177.06 1x8u n LYS 73 N 3.98 -5.98 -0.85 3.54 4.01 -1.26 -1.80 118.16 119.81 1x8u n LYS 73 Ca -0.20 0.70 0.00 0.00 -0.51 0.00 0.00 58.31 58.30 1x8u n LYS 73 Cb 0.57 -5.53 0.00 0.00 -0.51 0.00 0.00 35.03 29.56 1x8u n LYS 73 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1x8u n LYS 74 N -4.46 -1.15 -4.41 1.97 5.02 -1.26 -4.96 118.16 108.91 1x8u n LYS 74 Ca -0.17 0.29 -0.21 0.00 -2.02 0.00 0.00 58.31 56.20 1x8u n LYS 74 Cb 0.62 -4.59 -0.10 0.00 -0.02 0.00 0.00 35.03 30.94 1x8u n LYS 74 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1x8u s LYS 75 N -1.46 1.49 -0.21 1.97 1.02 -0.74 -5.12 119.74 116.69 1x8u s LYS 75 Ca 0.00 -1.70 -0.17 0.00 0.02 0.00 0.00 55.97 54.12 1x8u s LYS 75 Cb 0.00 -1.29 -0.04 0.00 -0.52 0.00 0.00 37.83 35.99 1x8u s LYS 75 CO 0.00 0.17 0.43 0.00 -0.92 0.00 0.00 175.35 175.03 1x8u s ASP 77 N 1.14 4.88 -0.11 0.00 1.01 0.41 -4.94 116.67 119.06 1x8u s ASP 77 Ca 0.20 -0.09 -0.02 0.00 0.71 0.00 0.00 52.55 53.35 1x8u s ASP 77 Cb -0.15 -1.75 -0.03 0.00 1.01 0.00 0.00 42.92 42.00 1x8u s ASP 77 CO 0.09 0.19 -0.02 -0.31 0.21 0.00 0.00 175.17 175.33 1x8u s TYR 78 N 0.22 3.08 -0.09 4.23 2.02 -1.26 -2.06 117.35 123.49 1x8u s TYR 78 Ca -0.02 -0.00 0.03 0.00 -0.37 0.00 0.00 57.07 56.71 1x8u s TYR 78 Cb -0.14 -1.85 0.01 0.00 -0.40 0.00 0.00 41.96 39.58 1x8u s TYR 78 CO 0.03 0.26 -0.19 -1.58 -1.57 0.00 0.00 175.55 172.50 1x8u s TRP 79 N -0.38 2.09 -0.05 2.71 0.52 0.48 -4.95 118.94 119.36 1x8u s TRP 79 Ca 0.07 -0.86 0.05 0.00 0.02 0.00 0.00 56.10 55.39 1x8u s TRP 79 Cb -0.12 -1.45 -0.01 0.00 -1.15 0.00 0.00 33.47 30.74 1x8u s TRP 79 CO 0.02 -0.38 -0.22 0.42 0.02 0.00 0.00 176.95 176.81 1x8u s ILE 80 N 0.55 1.78 0.17 2.03 1.01 -1.26 -0.42 121.20 125.06 1x8u s ILE 80 Ca -0.16 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 59.49 1x8u s ILE 80 Cb -0.17 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 1x8u s ILE 80 CO 0.05 0.50 0.27 -0.13 0.00 0.00 0.00 174.94 175.64 1x8u s ARG 81 N -0.13 1.17 -0.13 2.79 0.52 0.62 -4.99 118.95 118.81 1x8u s ARG 81 Ca -0.02 -1.23 -0.00 0.00 -0.52 0.00 0.00 55.73 53.95 1x8u s ARG 81 Cb -0.12 0.37 -0.02 0.00 0.52 0.00 0.00 34.95 35.70 1x8u s ARG 81 CO 0.03 -0.43 -0.13 0.99 0.02 0.00 0.00 175.30 175.78 1x8u s THR 82 N -3.99 3.09 -0.23 0.02 2.01 -1.26 0.11 115.64 115.38 1x8u s THR 82 Ca 0.20 -0.65 -0.05 0.00 0.31 0.00 0.00 61.69 61.50 1x8u s THR 82 Cb 0.04 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 1x8u s THR 82 CO 0.02 0.52 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.11 1x8u s PHE 83 N 0.37 3.00 -0.10 4.92 2.99 -0.66 -0.07 117.98 128.43 1x8u s PHE 83 Ca -0.10 -0.76 -0.01 0.00 0.00 0.00 0.00 56.93 56.06 1x8u s PHE 83 Cb -0.16 -2.15 -0.03 0.00 0.00 0.00 0.00 43.02 40.68 1x8u s PHE 83 CO 0.05 -0.48 -0.04 0.14 -0.00 0.00 0.00 175.22 174.89 1x8u s VAL 84 N 1.52 3.92 0.12 -0.44 -7.23 0.74 -0.90 120.40 118.13 1x8u s VAL 84 Ca 0.06 -0.38 -0.35 0.00 -1.81 0.00 0.00 61.98 59.50 1x8u s VAL 84 Cb -0.15 -2.65 -0.17 0.00 0.56 0.00 0.00 36.38 33.98 1x8u s VAL 84 CO -0.01 0.57 1.12 -2.65 -0.31 0.00 0.00 175.10 173.83 1x8u n PRO 85 N 2.54 0.82 0.00 4.82 -0.02 -1.26 -0.30 135.00 141.59 1x8u n PRO 85 Ca -0.18 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1x8u n PRO 85 Cb 0.53 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 1x8u n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x8u n GLY 86 N 2.02 1.85 0.14 -1.23 0.00 0.74 -4.65 105.19 104.06 1x8u n GLY 86 Ca 0.17 -1.74 -0.03 0.00 0.00 0.00 0.00 46.02 44.43 1x8u n GLY 86 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1x8u h SER 87 N 0.00 0.07 -4.96 1.61 4.64 -1.95 -3.45 113.55 109.50 1x8u h SER 87 Ca 0.00 -0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 61.11 1x8u h SER 87 Cb 0.00 -0.02 -0.16 0.00 -0.31 0.00 0.00 62.40 61.91 1x8u h SER 87 CO 0.00 0.68 -0.69 0.00 -0.87 0.00 0.00 176.83 175.95 1x8u s GLN 88 N -3.60 0.63 -0.04 4.77 -2.07 -1.26 -5.09 119.66 113.00 1x8u s GLN 88 Ca -0.02 -1.13 -0.36 0.00 -1.82 0.00 0.00 55.36 52.03 1x8u s GLN 88 Cb 0.12 0.02 -0.14 0.00 -1.09 0.00 0.00 33.01 31.93 1x8u s GLN 88 CO 0.77 -0.06 1.71 -2.30 -1.32 0.00 0.00 175.29 174.09 1x8u n PRO 89 N 0.38 1.83 0.00 9.60 -0.02 -1.26 -1.15 135.00 144.38 1x8u n PRO 89 Ca -0.16 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1x8u n PRO 89 Cb 0.60 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1x8u n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x8u n GLY 90 N 3.87 0.49 3.46 -1.23 0.00 -1.26 -4.59 105.19 105.93 1x8u n GLY 90 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1x8u n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x8u s GLU 91 N -0.95 1.87 0.10 1.61 2.02 -0.30 -0.33 118.70 122.71 1x8u s GLU 91 Ca 0.00 -1.11 -0.08 0.00 0.02 0.00 0.00 54.97 53.80 1x8u s GLU 91 Cb 0.00 -2.12 -0.01 0.00 0.10 0.00 0.00 34.13 32.10 1x8u s GLU 91 CO 0.00 0.50 0.18 -0.06 0.02 0.00 0.00 175.26 175.91 1x8u s PHE 92 N -1.04 0.25 0.33 1.61 0.40 0.41 -0.18 117.98 119.76 1x8u s PHE 92 Ca 0.16 -0.68 0.04 0.00 -0.60 0.00 0.00 56.93 55.85 1x8u s PHE 92 Cb -0.10 -0.10 -0.06 0.00 0.51 0.00 0.00 43.02 43.26 1x8u s PHE 92 CO 0.08 -0.56 0.06 -0.08 0.70 0.00 0.00 175.22 175.41 1x8u s THR 93 N -3.89 1.24 -0.07 0.64 -1.32 0.58 -0.75 115.64 112.07 1x8u s THR 93 Ca 0.08 -2.00 -0.19 0.00 -1.21 0.00 0.00 61.69 58.37 1x8u s THR 93 Cb 0.05 -2.81 -0.05 0.00 -1.51 0.00 0.00 72.50 68.18 1x8u s THR 93 CO -0.09 0.00 0.51 -0.22 -2.21 0.00 0.00 174.62 172.61 1x8u s LEU 94 N -3.50 4.34 0.41 9.08 2.96 -1.26 -0.19 118.68 130.53 1x8u s LEU 94 Ca 0.36 0.94 -0.22 0.00 -0.22 0.00 0.00 54.13 55.00 1x8u s LEU 94 Cb 0.09 -2.76 -0.11 0.00 0.50 0.00 0.00 46.19 43.91 1x8u s LEU 94 CO 0.16 0.07 0.95 -0.83 -1.32 0.00 0.00 176.35 175.37 1x8u s GLY 95 N 0.19 2.46 -1.44 7.98 0.00 0.90 -4.03 107.32 113.39 1x8u s GLY 95 Ca 0.27 0.43 -0.09 0.00 0.00 0.00 0.00 44.72 45.33 1x8u s GLY 95 CO 0.13 0.73 0.96 1.16 0.00 0.00 0.00 173.10 176.08 1x8u n ASN 96 N -0.45 -4.20 -0.23 1.64 6.94 -1.26 -4.65 115.26 113.04 1x8u n ASN 96 Ca 0.06 -0.74 0.23 0.00 -0.02 0.00 0.00 54.58 54.12 1x8u n ASN 96 Cb 0.53 -4.19 0.59 0.00 -2.36 0.00 0.00 39.78 34.35 1x8u n ASN 96 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 1x8u h ILE 97 N -2.15 0.61 -0.71 1.53 2.10 -1.96 -0.72 117.51 116.21 1x8u h ILE 97 Ca -0.59 -0.09 0.15 0.00 1.08 0.00 0.00 64.86 65.41 1x8u h ILE 97 Cb 1.37 0.32 -0.13 0.00 -1.09 0.00 0.00 36.82 37.29 1x8u h ILE 97 CO 0.62 0.05 -0.12 0.50 -1.08 0.00 0.00 178.15 178.12 1x8u h LYS 98 N 0.26 0.03 0.00 2.19 3.64 -1.89 -1.14 116.57 119.66 1x8u h LYS 98 Ca 0.47 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 1x8u h LYS 98 Cb 1.42 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 1x8u h LYS 98 CO -0.13 0.02 0.00 -1.13 -2.27 0.00 0.00 179.45 175.93 1x8u n SER 99 N -5.43 0.00 -4.15 4.20 3.41 -0.28 -4.42 113.62 106.95 1x8u n SER 99 Ca 0.10 -0.19 -0.33 0.00 -0.26 0.00 0.00 58.87 58.18 1x8u n SER 99 Cb 0.39 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.18 1x8u n SER 99 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1x8u s TYR 100 N -2.00 2.91 -0.05 7.33 1.51 -0.43 -5.08 117.35 121.55 1x8u s TYR 100 Ca 0.07 -1.63 -0.30 0.00 -1.01 0.00 0.00 57.07 54.19 1x8u s TYR 100 Cb 0.03 -1.97 -0.05 0.00 -0.11 0.00 0.00 41.96 39.86 1x8u s TYR 100 CO 0.05 -0.77 1.57 -2.14 -1.11 0.00 0.00 175.55 173.15 1x8u s PRO 101 N 1.29 4.20 0.00 -1.71 0.02 -1.26 -3.31 135.00 134.24 1x8u s PRO 101 Ca 0.02 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.15 1x8u s PRO 101 Cb -0.15 -3.86 0.00 0.00 0.02 0.00 0.00 34.50 30.52 1x8u s PRO 101 CO -0.09 -0.78 0.00 0.41 -0.33 0.00 0.00 177.00 176.21 1x8u n GLY 102 N 3.98 0.62 3.45 0.52 0.00 -1.26 -4.87 105.19 107.63 1x8u n GLY 102 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1x8u n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x8u s LEU 103 N 0.00 4.07 -0.01 0.99 2.96 -1.21 0.93 118.68 126.41 1x8u s LEU 103 Ca 0.00 -0.46 0.11 0.00 -0.22 0.00 0.00 54.13 53.56 1x8u s LEU 103 Cb 0.00 -2.01 -0.16 0.00 0.50 0.00 0.00 46.19 44.52 1x8u s LEU 103 CO 0.00 -0.17 0.34 0.35 -1.32 0.00 0.00 176.35 175.54 1x8u n THR 104 N 4.99 0.00 -3.64 3.68 -2.24 -0.16 -4.87 114.28 112.04 1x8u n THR 104 Ca -0.14 -0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.23 1x8u n THR 104 Cb 0.50 0.52 -0.07 0.00 -2.10 0.00 0.00 70.33 69.17 1x8u n THR 104 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x8u s SER 105 N -2.86 -0.48 -0.14 3.42 1.04 -1.20 -4.95 113.70 108.52 1x8u s SER 105 Ca -0.01 0.58 -0.06 0.00 0.48 0.00 0.00 55.95 56.94 1x8u s SER 105 Cb 0.08 0.59 0.06 0.00 0.10 0.00 0.00 66.02 66.84 1x8u s SER 105 CO 0.48 -0.46 0.32 -0.47 0.98 0.00 0.00 173.24 174.08 1x8u s TYR 106 N -0.92 -0.48 -0.01 5.02 6.14 -1.26 -0.71 117.35 125.12 1x8u s TYR 106 Ca -0.10 1.06 0.02 0.00 0.64 0.00 0.00 57.07 58.70 1x8u s TYR 106 Cb -0.03 0.12 -0.00 0.00 0.42 0.00 0.00 41.96 42.47 1x8u s TYR 106 CO 0.06 -0.32 -0.08 -1.17 0.64 0.00 0.00 175.55 174.68 1x8u s LEU 107 N 1.72 1.90 -0.07 6.97 2.96 0.30 -4.12 118.68 128.34 1x8u s LEU 107 Ca -0.06 -0.16 0.04 0.00 -0.22 0.00 0.00 54.13 53.72 1x8u s LEU 107 Cb -0.10 -0.47 0.00 0.00 0.50 0.00 0.00 46.19 46.12 1x8u s LEU 107 CO -0.10 0.08 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.14 1x8u s VAL 108 N -0.01 1.59 -0.15 1.68 1.01 0.07 -1.53 120.40 123.05 1x8u s VAL 108 Ca 0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 1x8u s VAL 108 Cb -0.06 -1.39 0.05 0.00 0.00 0.00 0.00 36.38 34.98 1x8u s VAL 108 CO -0.00 0.45 0.01 -0.60 0.00 0.00 0.00 175.10 174.97 1x8u s ARG 109 N 0.37 0.75 -0.23 2.72 6.06 -0.49 -0.44 118.95 127.68 1x8u s ARG 109 Ca -0.13 -0.26 -0.29 0.00 -2.50 0.00 0.00 55.73 52.55 1x8u s ARG 109 Cb -0.16 -1.72 -0.02 0.00 0.06 0.00 0.00 34.95 33.11 1x8u s ARG 109 CO 0.05 -0.50 1.56 0.08 -2.50 0.00 0.00 175.30 174.00 1x8u s VAL 110 N 1.87 3.77 -0.01 7.11 1.01 0.55 -1.88 120.40 132.81 1x8u s VAL 110 Ca 0.01 0.87 -0.20 0.00 0.00 0.00 0.00 61.98 62.66 1x8u s VAL 110 Cb -0.15 -3.77 -0.27 0.00 0.00 0.00 0.00 36.38 32.19 1x8u s VAL 110 CO -0.07 -0.31 1.04 0.58 0.00 0.00 0.00 175.10 176.33 1x8u h VAL 111 N 6.09 1.44 -1.73 2.92 2.07 -1.31 0.88 116.25 126.60 1x8u h VAL 111 Ca -0.32 -2.27 0.11 0.00 0.82 0.00 0.00 66.70 65.04 1x8u h VAL 111 Cb 1.14 2.80 -0.21 0.00 -1.52 0.00 0.00 31.29 33.50 1x8u h VAL 111 CO 1.00 0.66 0.56 -0.94 0.02 0.00 0.00 177.57 178.88 1x8u s SER 112 N -6.90 -0.34 -0.21 0.57 1.04 -1.15 -2.76 113.70 103.95 1x8u s SER 112 Ca -0.13 0.25 -0.30 0.00 0.48 0.00 0.00 55.95 56.26 1x8u s SER 112 Cb 0.03 0.30 0.15 0.00 0.10 0.00 0.00 66.02 66.61 1x8u s SER 112 CO 0.84 -0.40 1.15 0.28 0.98 0.00 0.00 173.24 176.09 1x8u s THR 113 N -1.74 0.00 -0.73 2.02 -1.32 -1.26 -0.38 115.64 112.23 1x8u s THR 113 Ca 0.01 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.63 1x8u s THR 113 Cb -0.01 -1.00 0.42 0.00 -1.51 0.00 0.00 72.50 70.41 1x8u s THR 113 CO -0.02 0.00 1.35 -0.46 -2.21 0.00 0.00 174.62 173.28 1x8u n ASN 114 N 0.56 3.43 0.00 8.08 6.94 -1.09 -5.02 115.26 128.16 1x8u n ASN 114 Ca -0.06 -2.36 0.00 0.00 -0.02 0.00 0.00 54.58 52.14 1x8u n ASN 114 Cb 0.58 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.64 1x8u n ASN 114 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1x8u n TYR 115 N 0.28 0.00 0.30 -2.53 4.01 -1.25 -4.46 117.16 113.50 1x8u n TYR 115 Ca 0.16 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.94 1x8u n TYR 115 Cb 0.62 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.67 1x8u n TYR 115 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1x8u n ASN 116 N 0.22 1.31 0.00 7.72 2.04 -1.26 -4.81 115.26 120.48 1x8u n ASN 116 Ca 0.00 -1.16 0.00 0.00 -0.44 0.00 0.00 54.58 52.98 1x8u n ASN 116 Cb 0.00 0.22 0.00 0.00 -2.53 0.00 0.00 39.78 37.47 1x8u n ASN 116 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1x8u n GLN 117 N 0.06 0.00 -3.95 -3.83 6.02 -1.26 -4.75 117.38 109.67 1x8u n GLN 117 Ca 0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.93 1x8u n GLN 117 Cb 0.16 -0.51 -0.05 0.00 1.02 0.00 0.00 30.24 30.86 1x8u n GLN 117 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1x8u s HIS 118 N -1.36 0.29 -0.01 1.08 -3.43 -1.26 -1.46 115.29 109.14 1x8u s HIS 118 Ca 0.00 -0.65 -0.28 0.00 -0.80 0.00 0.00 55.06 53.32 1x8u s HIS 118 Cb 0.00 0.19 0.10 0.00 -1.43 0.00 0.00 32.58 31.43 1x8u s HIS 118 CO 0.00 -0.95 0.82 0.00 -2.00 0.00 0.00 174.74 172.61 1x8u s ALA 119 N -3.99 -1.79 -0.08 -1.38 0.00 -0.39 -2.68 121.76 111.45 1x8u s ALA 119 Ca 0.20 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.25 1x8u s ALA 119 Cb -0.00 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.34 1x8u s ALA 119 CO 0.06 -0.57 -0.08 -1.64 0.00 0.00 0.00 175.76 173.53 1x8u s MET 120 N -2.50 1.38 -0.05 0.00 -1.94 0.49 -0.21 119.30 116.48 1x8u s MET 120 Ca 0.00 -0.25 0.03 0.00 -1.71 0.00 0.00 55.69 53.76 1x8u s MET 120 Cb -0.01 -1.33 0.00 0.00 2.01 0.00 0.00 34.83 35.51 1x8u s MET 120 CO -0.04 -0.13 -0.13 0.08 -0.01 0.00 0.00 175.02 174.78 1x8u s VAL 121 N 1.21 1.18 -0.14 -6.03 1.01 -0.62 -1.23 120.40 115.77 1x8u s VAL 121 Ca -0.05 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 1x8u s VAL 121 Cb -0.14 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1x8u s VAL 121 CO -0.02 0.35 0.09 0.12 0.00 0.00 0.00 175.10 175.65 1x8u s PHE 122 N 0.33 3.39 0.02 5.22 2.19 -0.79 -0.82 117.98 127.52 1x8u s PHE 122 Ca -0.08 0.31 0.06 0.00 0.33 0.00 0.00 56.93 57.55 1x8u s PHE 122 Cb -0.13 -1.99 -0.02 0.00 -1.31 0.00 0.00 43.02 39.58 1x8u s PHE 122 CO 0.03 0.46 -0.17 -0.06 1.83 0.00 0.00 175.22 177.30 1x8u s PHE 123 N -0.39 1.51 -0.02 10.12 0.08 0.03 -1.39 117.98 127.92 1x8u s PHE 123 Ca 0.10 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.83 1x8u s PHE 123 Cb -0.12 -0.93 0.02 0.00 -0.57 0.00 0.00 43.02 41.42 1x8u s PHE 123 CO 0.02 0.02 -0.02 0.21 -0.10 0.00 0.00 175.22 175.35 1x8u s LYS 124 N -0.81 0.33 0.06 0.44 2.20 -0.58 -1.16 119.74 120.21 1x8u s LYS 124 Ca 0.05 -0.01 -0.03 0.00 -0.36 0.00 0.00 55.97 55.62 1x8u s LYS 124 Cb -0.07 -0.42 -0.03 0.00 -1.51 0.00 0.00 37.83 35.80 1x8u s LYS 124 CO 0.01 -0.05 0.04 -1.59 -0.36 0.00 0.00 175.35 173.39 1x8u s LYS 125 N 0.58 0.67 -0.20 4.03 -2.85 0.31 -0.54 119.74 121.74 1x8u s LYS 125 Ca -0.06 -1.11 0.01 0.00 -1.00 0.00 0.00 55.97 53.81 1x8u s LYS 125 Cb -0.09 0.25 0.03 0.00 -2.06 0.00 0.00 37.83 35.96 1x8u s LYS 125 CO -0.01 -0.15 -0.17 0.08 0.10 0.00 0.00 175.35 175.19 1x8u s VAL 126 N -3.78 2.13 -0.06 1.79 1.01 0.11 -0.57 120.40 121.03 1x8u s VAL 126 Ca 0.05 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 60.96 1x8u s VAL 126 Cb 0.06 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.48 1x8u s VAL 126 CO -0.10 0.40 -0.08 -0.55 0.00 0.00 0.00 175.10 174.78 1x8u s SER 127 N 1.25 1.48 -1.54 3.32 0.15 -0.38 -0.99 113.70 116.99 1x8u s SER 127 Ca 0.02 -0.22 -0.09 0.00 0.70 0.00 0.00 55.95 56.36 1x8u s SER 127 Cb -0.15 -0.65 0.07 0.00 -1.71 0.00 0.00 66.02 63.58 1x8u s SER 127 CO -0.11 -0.04 0.60 0.00 1.20 0.00 0.00 173.24 174.90 1x8u n GLN 128 N 4.13 -3.34 -0.82 5.44 1.13 0.26 -0.36 117.38 123.82 1x8u n GLN 128 Ca -0.21 0.40 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 1x8u n GLN 128 Cb 0.51 -4.81 0.00 0.00 0.11 0.00 0.00 30.24 26.05 1x8u n GLN 128 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1x8u n ASN 129 N -2.84 -3.55 -4.85 1.08 3.02 -1.26 -4.97 115.26 101.88 1x8u n ASN 129 Ca -0.13 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.06 1x8u n ASN 129 Cb 0.59 -2.89 -0.06 0.00 -0.61 0.00 0.00 39.78 36.81 1x8u n ASN 129 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1x8u s ARG 130 N -1.49 3.53 -0.41 3.52 0.52 0.51 -5.06 118.95 120.07 1x8u s ARG 130 Ca 0.00 -0.15 -0.19 0.00 -0.52 0.00 0.00 55.73 54.87 1x8u s ARG 130 Cb 0.00 -3.21 0.02 0.00 0.52 0.00 0.00 34.95 32.28 1x8u s ARG 130 CO 0.00 0.71 0.57 -2.00 0.02 0.00 0.00 175.30 174.60 1x8u s GLU 131 N -0.83 3.31 0.03 3.54 2.12 -1.26 -1.25 118.70 124.36 1x8u s GLU 131 Ca 0.14 -0.41 0.02 0.00 0.36 0.00 0.00 54.97 55.08 1x8u s GLU 131 Cb -0.12 -3.92 -0.04 0.00 0.26 0.00 0.00 34.13 30.31 1x8u s GLU 131 CO 0.03 -0.89 0.05 0.71 -0.54 0.00 0.00 175.26 174.61 1x8u s TYR 132 N 2.57 3.16 0.01 5.30 1.51 0.26 -4.66 117.35 125.51 1x8u s TYR 132 Ca 0.19 0.11 -0.05 0.00 -1.01 0.00 0.00 57.07 56.31 1x8u s TYR 132 Cb -0.15 -1.67 -0.01 0.00 -0.11 0.00 0.00 41.96 40.03 1x8u s TYR 132 CO 0.16 0.51 0.08 -0.59 -1.11 0.00 0.00 175.55 174.61 1x8u s PHE 133 N -1.22 0.14 0.15 2.71 -0.71 -1.26 -0.53 117.98 117.26 1x8u s PHE 133 Ca 0.24 -0.32 -0.10 0.00 -1.04 0.00 0.00 56.93 55.70 1x8u s PHE 133 Cb -0.12 -0.11 -0.00 0.00 -1.21 0.00 0.00 43.02 41.58 1x8u s PHE 133 CO 0.15 -0.28 0.30 -1.59 -1.34 0.00 0.00 175.22 172.46 1x8u s LYS 134 N -1.68 1.13 -0.04 1.99 -2.85 -0.31 -1.92 119.74 116.06 1x8u s LYS 134 Ca -0.13 -1.08 0.02 0.00 -1.00 0.00 0.00 55.97 53.77 1x8u s LYS 134 Cb -0.07 0.39 0.01 0.00 -2.06 0.00 0.00 37.83 36.11 1x8u s LYS 134 CO -0.00 -0.42 -0.08 0.42 0.10 0.00 0.00 175.35 175.37 1x8u s ILE 135 N -3.93 0.77 -0.07 3.79 1.09 0.23 -0.79 121.20 122.29 1x8u s ILE 135 Ca 0.14 -0.29 -0.01 0.00 -1.10 0.00 0.00 60.65 59.40 1x8u s ILE 135 Cb 0.03 -0.73 -0.03 0.00 -1.06 0.00 0.00 42.46 40.67 1x8u s ILE 135 CO -0.03 0.27 -0.02 0.42 -0.10 0.00 0.00 174.94 175.48 1x8u s THR 136 N 0.65 4.11 -0.38 2.92 -4.23 -0.00 -1.11 115.64 117.60 1x8u s THR 136 Ca -0.10 -0.37 -0.11 0.00 -1.18 0.00 0.00 61.69 59.92 1x8u s THR 136 Cb -0.13 -2.73 0.03 0.00 1.34 0.00 0.00 72.50 71.01 1x8u s THR 136 CO 0.01 0.57 0.22 -0.22 -0.54 0.00 0.00 174.62 174.66 1x8u s LEU 137 N -0.98 4.81 -0.05 4.79 2.96 0.09 -1.59 118.68 128.71 1x8u s LEU 137 Ca 0.14 -1.04 -0.08 0.00 -0.22 0.00 0.00 54.13 52.93 1x8u s LEU 137 Cb -0.11 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 1x8u s LEU 137 CO 0.03 -0.41 0.24 -0.31 -1.32 0.00 0.00 176.35 174.58 1x8u s TYR 138 N 1.55 3.62 -0.00 5.38 2.02 0.71 -0.62 117.35 130.01 1x8u s TYR 138 Ca 0.02 0.64 0.05 0.00 -0.37 0.00 0.00 57.07 57.41 1x8u s TYR 138 Cb -0.20 -2.03 -0.01 0.00 -0.40 0.00 0.00 41.96 39.33 1x8u s TYR 138 CO 0.07 0.68 -0.15 0.20 -1.57 0.00 0.00 175.55 174.78 1x8u s GLY 139 N -1.26 0.74 0.43 0.71 0.00 0.66 -1.26 107.32 107.34 1x8u s GLY 139 Ca 0.21 -0.67 0.23 0.00 0.00 0.00 0.00 44.72 44.48 1x8u s GLY 139 CO 0.10 -0.57 1.82 3.21 0.00 0.00 0.00 173.10 177.65 1x8u h ARG 140 N 5.65 0.00 -5.72 2.90 -0.00 -1.55 0.33 114.38 116.00 1x8u h ARG 140 Ca -0.35 0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 58.56 1x8u h ARG 140 Cb 1.16 0.00 -0.14 0.00 0.00 0.00 0.00 29.97 31.00 1x8u h ARG 140 CO 0.48 0.26 -0.67 0.95 0.00 0.00 0.00 179.97 180.99 1x8u s THR 141 N -3.68 1.95 -1.29 2.04 -4.23 -1.26 -4.78 115.64 104.38 1x8u s THR 141 Ca 0.00 -2.14 0.18 0.00 -1.18 0.00 0.00 61.69 58.54 1x8u s THR 141 Cb 0.11 -2.63 0.26 0.00 1.34 0.00 0.00 72.50 71.58 1x8u s THR 141 CO 0.65 -0.20 1.54 0.29 -0.54 0.00 0.00 174.62 176.35 1x8u n LYS 142 N -0.73 0.17 -4.64 3.99 5.02 -1.26 -4.71 118.16 116.00 1x8u n LYS 142 Ca -0.05 0.15 -0.24 0.00 -2.02 0.00 0.00 58.31 56.15 1x8u n LYS 142 Cb 0.64 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 34.01 1x8u n LYS 142 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1x8u s GLU 143 N -2.71 1.27 0.07 1.97 0.41 -1.26 -4.88 118.70 113.57 1x8u s GLU 143 Ca 0.14 -0.76 0.02 0.00 -0.41 0.00 0.00 54.97 53.96 1x8u s GLU 143 Cb 0.12 -1.29 -0.03 0.00 -1.78 0.00 0.00 34.13 31.14 1x8u s GLU 143 CO 0.28 0.34 -0.07 -0.51 -0.49 0.00 0.00 175.26 174.81 1x8u s LEU 144 N -0.85 2.39 0.70 1.80 1.43 -1.26 -4.95 118.68 117.94 1x8u s LEU 144 Ca 0.06 -0.79 -0.17 0.00 -1.03 0.00 0.00 54.13 52.20 1x8u s LEU 144 Cb -0.08 -0.11 0.01 0.00 0.03 0.00 0.00 46.19 46.05 1x8u s LEU 144 CO 0.01 -0.35 1.22 0.35 0.23 0.00 0.00 176.35 177.81 1x8u n THR 145 N 0.66 3.93 0.30 5.49 -2.24 -1.26 -4.84 114.28 116.32 1x8u n THR 145 Ca -0.17 -0.41 0.19 0.00 -2.27 0.00 0.00 64.05 61.38 1x8u n THR 145 Cb 0.58 -1.36 0.92 0.00 -2.10 0.00 0.00 70.33 68.37 1x8u n THR 145 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1x8u h SER 146 N 0.07 0.00 -0.55 3.42 4.64 -2.00 -1.85 113.55 117.28 1x8u h SER 146 Ca -0.49 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.73 1x8u h SER 146 Cb 1.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.40 1x8u h SER 146 CO 0.50 0.03 -0.04 -0.08 -0.87 0.00 0.00 176.83 176.37 1x8u h GLU 147 N 0.00 1.01 -0.38 4.77 4.81 -2.00 -2.15 114.58 120.65 1x8u h GLU 147 Ca -0.00 -0.33 -0.15 0.00 -0.13 0.00 0.00 59.36 58.75 1x8u h GLU 147 Cb 0.25 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1x8u h GLU 147 CO 0.00 1.01 -0.34 -0.07 -0.73 0.00 0.00 179.01 178.88 1x8u h LEU 148 N 0.92 0.92 -0.58 1.64 3.38 -1.70 -2.33 115.31 117.56 1x8u h LEU 148 Ca 0.16 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1x8u h LEU 148 Cb 0.58 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1x8u h LEU 148 CO 0.03 1.17 0.24 0.11 0.09 0.00 0.00 178.44 180.08 1x8u h LYS 149 N 0.72 0.86 -0.80 1.13 1.57 -1.33 -1.36 116.57 117.37 1x8u h LYS 149 Ca 0.07 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1x8u h LYS 149 Cb 0.91 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.05 1x8u h LYS 149 CO 0.08 0.74 0.40 0.93 -0.57 0.00 0.00 179.45 181.03 1x8u h GLU 150 N 0.80 1.14 -0.52 3.15 4.39 -1.33 0.24 114.58 122.46 1x8u h GLU 150 Ca 0.19 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1x8u h GLU 150 Cb 0.19 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1x8u h GLU 150 CO -0.02 0.87 0.33 -0.97 -1.16 0.00 0.00 179.01 178.06 1x8u h ASN 151 N 1.13 0.61 -0.74 1.42 -1.24 -0.95 0.32 115.58 116.12 1x8u h ASN 151 Ca 0.28 -0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.23 1x8u h ASN 151 Cb 0.09 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 38.96 1x8u h ASN 151 CO -0.04 0.46 0.39 0.15 -1.29 0.00 0.00 177.43 177.11 1x8u h PHE 152 N 0.70 1.04 -0.70 0.67 3.04 -0.75 -0.66 116.94 120.28 1x8u h PHE 152 Ca 0.19 -0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.08 1x8u h PHE 152 Cb -0.05 -0.33 -0.03 0.00 2.56 0.00 0.00 35.95 38.10 1x8u h PHE 152 CO -0.03 0.74 0.36 0.82 -2.02 0.00 0.00 178.31 178.17 1x8u h ILE 153 N 1.03 1.23 -0.57 1.41 2.04 -0.29 -0.94 117.51 121.42 1x8u h ILE 153 Ca 0.26 -0.61 -0.10 0.00 1.00 0.00 0.00 64.86 65.41 1x8u h ILE 153 Cb 0.06 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 1x8u h ILE 153 CO -0.04 0.26 -0.02 0.03 0.00 0.00 0.00 178.15 178.38 1x8u h ARG 154 N 0.97 1.02 -0.64 2.37 3.08 -0.26 -2.04 114.38 118.88 1x8u h ARG 154 Ca 0.24 -0.34 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 1x8u h ARG 154 Cb 0.09 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1x8u h ARG 154 CO -0.03 1.02 0.10 0.35 -1.07 0.00 0.00 179.97 180.34 1x8u h PHE 155 N 0.91 1.14 -0.47 3.04 3.57 -0.86 0.92 116.94 125.19 1x8u h PHE 155 Ca 0.16 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1x8u h PHE 155 Cb 0.58 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1x8u h PHE 155 CO 0.04 0.96 0.24 0.77 -2.23 0.00 0.00 178.31 178.09 1x8u h SER 156 N 0.98 0.60 -0.22 0.41 0.02 -0.94 -2.28 113.55 112.12 1x8u h SER 156 Ca 0.19 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 1x8u h SER 156 Cb 0.44 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1x8u h SER 156 CO 0.01 0.55 -0.13 0.11 -1.14 0.00 0.00 176.83 176.23 1x8u h LYS 157 N 0.61 0.62 0.00 3.45 1.57 -1.19 -0.09 116.57 121.54 1x8u h LYS 157 Ca 0.16 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1x8u h LYS 157 Cb 0.10 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1x8u h LYS 157 CO -0.02 0.73 0.00 -1.13 -0.57 0.00 0.00 179.45 178.46 1x8u n SER 158 N -4.18 0.00 -0.66 0.86 3.41 0.30 -0.52 113.62 112.84 1x8u n SER 158 Ca 0.01 0.38 0.06 0.00 -0.26 0.00 0.00 58.87 59.05 1x8u n SER 158 Cb 0.35 -0.42 0.17 0.00 -0.26 0.00 0.00 64.21 64.05 1x8u n SER 158 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1x8u n LEU 159 N -1.42 3.09 0.00 1.04 4.77 -0.09 -4.94 117.00 119.45 1x8u n LEU 159 Ca 0.02 -2.22 0.00 0.00 -0.03 0.00 0.00 56.01 53.78 1x8u n LEU 159 Cb 0.07 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1x8u n LEU 159 CO 0.06 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 1x8u n GLY 160 N 0.25 0.67 3.72 -0.72 0.00 0.32 -4.60 105.19 104.84 1x8u n GLY 160 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1x8u n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x8u s LEU 161 N 0.00 4.27 0.73 0.99 1.43 -0.95 -4.99 118.68 120.16 1x8u s LEU 161 Ca 0.00 0.78 -0.07 0.00 -1.03 0.00 0.00 54.13 53.81 1x8u s LEU 161 Cb 0.00 -2.66 0.08 0.00 0.03 0.00 0.00 46.19 43.64 1x8u s LEU 161 CO 0.00 0.01 1.04 -2.16 0.23 0.00 0.00 176.35 175.47 1x8u s PRO 162 N 0.64 1.97 0.23 1.29 0.04 -1.26 -3.74 135.00 134.17 1x8u s PRO 162 Ca 0.25 -0.39 -0.06 0.00 0.04 0.00 0.00 61.00 60.84 1x8u s PRO 162 Cb -0.15 -2.16 0.37 0.00 0.04 0.00 0.00 34.50 32.60 1x8u s PRO 162 CO 0.10 -1.38 1.78 1.05 0.04 0.00 0.00 177.00 178.59 1x8u h GLU 163 N -0.69 0.61 0.00 4.56 9.09 -1.97 0.90 114.58 127.09 1x8u h GLU 163 Ca -0.43 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 58.94 1x8u h GLU 163 Cb 1.30 -0.14 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 1x8u h GLU 163 CO 0.55 0.41 0.00 0.27 0.05 0.00 0.00 179.01 180.29 1x8u n ASN 164 N -4.85 0.00 -1.03 3.06 6.94 -1.26 -1.47 115.26 116.66 1x8u n ASN 164 Ca 0.12 -0.72 0.08 0.00 -0.02 0.00 0.00 54.58 54.04 1x8u n ASN 164 Cb 0.29 0.00 0.25 0.00 -2.36 0.00 0.00 39.78 37.96 1x8u n ASN 164 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1x8u n HIS 165 N -0.87 0.94 -3.94 -2.53 8.25 0.31 -1.78 115.22 115.59 1x8u n HIS 165 Ca 0.10 -0.65 -0.28 0.00 -0.26 0.00 0.00 57.72 56.63 1x8u n HIS 165 Cb 0.05 -0.18 -0.17 0.00 1.12 0.00 0.00 29.99 30.81 1x8u n HIS 165 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1x8u s ILE 166 N -1.83 1.22 0.29 1.59 1.01 -0.54 -2.23 121.20 120.71 1x8u s ILE 166 Ca 0.38 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.63 1x8u s ILE 166 Cb 0.26 -1.23 -0.06 0.00 0.01 0.00 0.00 42.46 41.44 1x8u s ILE 166 CO 0.17 0.36 -0.03 0.68 0.00 0.00 0.00 174.94 176.11 1x8u s VAL 167 N 1.62 1.54 -0.35 2.92 -7.23 0.16 -4.84 120.40 114.23 1x8u s VAL 167 Ca 0.04 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.14 1x8u s VAL 167 Cb -0.13 -2.51 0.11 0.00 0.56 0.00 0.00 36.38 34.40 1x8u s VAL 167 CO -0.09 -0.25 0.10 -0.36 -0.31 0.00 0.00 175.10 174.20 1x8u s PHE 168 N -3.08 2.68 0.54 2.82 0.40 -1.26 -0.90 117.98 119.19 1x8u s PHE 168 Ca 0.31 -2.42 -0.20 0.00 -0.60 0.00 0.00 56.93 54.01 1x8u s PHE 168 Cb 0.05 -2.31 -0.07 0.00 0.51 0.00 0.00 43.02 41.20 1x8u s PHE 168 CO 0.12 -0.89 0.98 -2.30 0.70 0.00 0.00 175.22 173.83 1x8u n PRO 169 N 4.37 1.08 -2.72 0.24 -0.02 -1.23 -4.93 135.00 131.78 1x8u n PRO 169 Ca 0.02 0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 1x8u n PRO 169 Cb 0.41 -2.13 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 1x8u n PRO 169 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1x8u s VAL 170 N -1.44 4.78 0.25 -1.45 1.01 -0.21 -4.48 120.40 118.86 1x8u s VAL 170 Ca 0.71 1.97 -0.31 0.00 0.00 0.00 0.00 61.98 64.36 1x8u s VAL 170 Cb -0.46 -4.28 -0.14 0.00 0.00 0.00 0.00 36.38 31.50 1x8u s VAL 170 CO 0.51 -0.02 1.26 -2.65 0.00 0.00 0.00 175.10 174.19 1x8u n PRO 171 N 5.24 1.71 -4.35 2.72 -0.02 -1.26 -1.13 135.00 137.90 1x8u n PRO 171 Ca 0.08 0.60 -0.19 0.00 -2.02 0.00 0.00 63.50 61.98 1x8u n PRO 171 Cb 0.48 -2.16 -0.09 0.00 -0.02 0.00 0.00 33.50 31.71 1x8u n PRO 171 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1x8u s ILE 172 N -0.43 0.38 -0.11 4.25 -4.36 -1.26 -4.86 121.20 114.81 1x8u s ILE 172 Ca 0.66 -2.00 0.11 0.00 -0.26 0.00 0.00 60.65 59.16 1x8u s ILE 172 Cb -0.70 -2.51 -0.16 0.00 1.25 0.00 0.00 42.46 40.34 1x8u s ILE 172 CO 0.54 0.00 0.07 0.47 0.24 0.00 0.00 174.94 176.26 1x8u n ASP 173 N -0.97 1.91 -4.75 4.36 8.00 -1.26 -4.87 116.55 118.97 1x8u n ASP 173 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 1x8u n ASP 173 Cb 0.65 0.90 -0.02 0.00 -0.02 0.00 0.00 41.12 42.63 1x8u n ASP 173 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1x8u s GLN 174 N -2.38 4.18 0.00 -1.24 1.11 -1.26 -3.98 119.66 116.10 1x8u s GLN 174 Ca -0.06 2.47 0.00 0.00 0.01 0.00 0.00 55.36 57.78 1x8u s GLN 174 Cb 0.04 -3.05 0.00 0.00 -1.01 0.00 0.00 33.01 28.99 1x8u s GLN 174 CO 0.52 -0.55 0.00 0.00 0.01 0.00 0.00 175.29 175.27 1x8u n ILE 176 N 0.00 0.00 1.10 0.00 -5.35 -1.26 -4.99 119.36 108.86 1x8u n ILE 176 Ca 0.00 -0.06 0.12 0.00 -0.27 0.00 0.00 62.75 62.54 1x8u n ILE 176 Cb 0.00 -0.24 0.19 0.00 -1.74 0.00 0.00 39.64 37.85 1x8u n ILE 176 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26