#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q8p s SER 3 N 0.00 1.23 -0.15 -2.24 1.04 -1.26 -0.90 113.70 111.42 1q8p s SER 3 Ca 0.00 -0.40 -0.13 0.00 0.48 0.00 0.00 55.95 55.90 1q8p s SER 3 Cb 0.00 -0.06 0.04 0.00 0.10 0.00 0.00 66.02 66.10 1q8p s SER 3 CO 0.00 -0.02 0.40 -0.22 0.98 0.00 0.00 173.24 174.37 1q8p s LEU 4 N -1.03 0.38 0.00 2.42 2.96 -0.63 -5.01 118.68 117.77 1q8p s LEU 4 Ca -0.01 0.81 -0.15 0.00 -0.22 0.00 0.00 54.13 54.55 1q8p s LEU 4 Cb -0.07 1.35 0.02 0.00 0.50 0.00 0.00 46.19 47.99 1q8p s LEU 4 CO 0.01 -0.15 0.33 -0.94 -1.32 0.00 0.00 176.35 174.28 1q8p s SER 5 N 0.45 -0.20 0.03 3.68 1.04 -1.26 -1.14 113.70 116.30 1q8p s SER 5 Ca -0.02 0.04 -0.23 0.00 0.48 0.00 0.00 55.95 56.22 1q8p s SER 5 Cb -0.04 0.34 0.05 0.00 0.10 0.00 0.00 66.02 66.47 1q8p s SER 5 CO -0.02 -0.51 0.52 0.72 0.98 0.00 0.00 173.24 174.93 1q8p s PHE 6 N -1.69 -0.43 -0.04 5.02 -0.12 -0.37 -5.00 117.98 115.36 1q8p s PHE 6 Ca -0.11 0.53 -0.01 0.00 -0.05 0.00 0.00 56.93 57.28 1q8p s PHE 6 Cb -0.04 0.32 0.03 0.00 -0.63 0.00 0.00 43.02 42.71 1q8p s PHE 6 CO 0.02 -0.62 0.08 0.20 -0.05 0.00 0.00 175.22 174.86 1q8p s GLY 7 N -1.82 0.03 -0.50 1.99 0.00 -1.26 -1.13 107.32 104.63 1q8p s GLY 7 Ca -0.07 0.43 0.02 0.00 0.00 0.00 0.00 44.72 45.10 1q8p s GLY 7 CO 0.00 0.74 0.26 -1.36 0.00 0.00 0.00 173.10 172.74 1q8p s PHE 8 N 0.97 3.38 0.37 1.90 0.40 0.22 -4.94 117.98 120.28 1q8p s PHE 8 Ca -0.08 -2.98 0.08 0.00 -0.60 0.00 0.00 56.93 53.35 1q8p s PHE 8 Cb -0.11 -2.96 0.72 0.00 0.51 0.00 0.00 43.02 41.18 1q8p s PHE 8 CO -0.04 -0.82 1.90 -1.35 0.70 0.00 0.00 175.22 175.61 1q8p h PRO 9 N 6.96 0.34 -4.12 0.24 0.11 -1.90 -0.84 132.00 132.80 1q8p h PRO 9 Ca -0.06 -0.08 -0.28 0.00 0.11 0.00 0.00 66.00 65.69 1q8p h PRO 9 Cb 0.94 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 31.93 1q8p h PRO 9 CO 0.66 0.44 -0.18 0.95 -0.21 0.00 0.00 178.00 179.66 1q8p s THR 10 N -4.82 0.00 -0.56 -1.15 -4.23 -1.26 -4.50 115.64 99.11 1q8p s THR 10 Ca -0.06 -1.59 0.04 0.00 -1.18 0.00 0.00 61.69 58.90 1q8p s THR 10 Cb 0.15 -2.67 0.16 0.00 1.34 0.00 0.00 72.50 71.48 1q8p s THR 10 CO 0.74 0.00 0.37 -0.36 -0.54 0.00 0.00 174.62 174.84 1q8p s PHE 11 N -2.97 2.70 0.81 3.99 0.08 -0.01 -4.95 117.98 117.61 1q8p s PHE 11 Ca 0.30 -2.92 -0.13 0.00 0.12 0.00 0.00 56.93 54.30 1q8p s PHE 11 Cb -0.01 -2.21 0.08 0.00 -0.57 0.00 0.00 43.02 40.32 1q8p s PHE 11 CO 0.21 -0.68 1.18 -2.14 -0.10 0.00 0.00 175.22 173.69 1q8p s PRO 12 N -0.60 1.68 0.44 0.24 0.02 -1.26 -3.56 135.00 131.96 1q8p s PRO 12 Ca 0.23 1.67 0.11 0.00 0.02 0.00 0.00 61.00 63.03 1q8p s PRO 12 Cb -0.11 -1.79 0.99 0.00 0.02 0.00 0.00 34.50 33.61 1q8p s PRO 12 CO -0.11 -2.17 2.05 0.66 -0.33 0.00 0.00 177.00 177.11 1q8p h SER 13 N -0.97 0.23 -1.25 2.53 4.64 -1.96 -3.35 113.55 113.41 1q8p h SER 13 Ca -0.46 -0.02 -0.73 0.00 -0.47 0.00 0.00 61.79 60.12 1q8p h SER 13 Cb 1.28 -0.06 -0.13 0.00 -0.31 0.00 0.00 62.40 63.19 1q8p h SER 13 CO 0.46 0.23 2.08 -0.90 -0.87 0.00 0.00 176.83 177.84 1q8p n ASP 14 N -4.44 4.87 -4.84 4.97 3.85 -1.26 -4.98 116.55 114.72 1q8p n ASP 14 Ca -0.00 -2.99 -0.35 0.00 -0.71 0.00 0.00 54.79 50.73 1q8p n ASP 14 Cb 0.13 -1.58 -0.06 0.00 -1.35 0.00 0.00 41.12 38.26 1q8p n ASP 14 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 1q8p s GLN 15 N 1.85 4.05 0.00 0.11 -1.52 -1.26 -4.99 119.66 117.91 1q8p s GLN 15 Ca 0.44 0.60 0.00 0.00 -1.95 0.00 0.00 55.36 54.45 1q8p s GLN 15 Cb 0.06 -2.86 0.00 0.00 -0.22 0.00 0.00 33.01 29.99 1q8p s GLN 15 CO -0.00 0.42 0.00 1.63 -0.25 0.00 0.00 175.29 177.09 1q8p n LYS 16 N 0.64 2.95 -0.67 2.91 4.76 -1.26 -4.82 118.16 122.68 1q8p n LYS 16 Ca -0.03 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.46 1q8p n LYS 16 Cb 0.52 -0.94 0.30 0.00 -1.84 0.00 0.00 35.03 33.07 1q8p n LYS 16 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1q8p n ASN 17 N -1.72 4.40 -4.41 4.39 3.02 -1.26 -4.96 115.26 114.73 1q8p n ASN 17 Ca 0.00 -3.08 -0.33 0.00 -0.03 0.00 0.00 54.58 51.14 1q8p n ASN 17 Cb 0.35 -0.62 -0.14 0.00 -0.61 0.00 0.00 39.78 38.76 1q8p n ASN 17 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1q8p s LEU 18 N -2.87 2.63 -0.30 3.41 1.43 -1.26 -0.64 118.68 121.07 1q8p s LEU 18 Ca 0.47 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 53.15 1q8p s LEU 18 Cb 0.38 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 1q8p s LEU 18 CO 0.11 0.26 0.29 -0.63 0.23 0.00 0.00 176.35 176.61 1q8p s ILE 19 N -0.24 5.23 -0.18 -0.59 1.01 0.36 -4.91 121.20 121.88 1q8p s ILE 19 Ca 0.01 0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.72 1q8p s ILE 19 Cb -0.13 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 1q8p s ILE 19 CO 0.03 0.10 0.21 -0.36 0.00 0.00 0.00 174.94 174.92 1q8p s PHE 20 N 1.90 3.44 0.06 3.97 0.08 -1.26 -1.55 117.98 124.62 1q8p s PHE 20 Ca 0.10 0.47 0.06 0.00 0.12 0.00 0.00 56.93 57.68 1q8p s PHE 20 Cb -0.16 -2.25 -0.03 0.00 -0.57 0.00 0.00 43.02 40.01 1q8p s PHE 20 CO 0.11 0.27 -0.18 -0.65 -0.10 0.00 0.00 175.22 174.67 1q8p s GLN 21 N 0.40 1.08 6.31 0.44 -0.21 -0.04 -5.01 119.66 122.63 1q8p s GLN 21 Ca 0.12 -0.94 0.00 0.00 0.02 0.00 0.00 55.36 54.57 1q8p s GLN 21 Cb -0.12 -1.18 0.00 0.00 1.00 0.00 0.00 33.01 32.71 1q8p s GLN 21 CO 0.01 0.29 0.00 0.41 -2.12 0.00 0.00 175.29 173.88 1q8p n GLY 22 N 1.58 2.23 0.66 3.09 0.00 -1.26 -1.35 105.19 110.14 1q8p n GLY 22 Ca -0.19 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.51 1q8p n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q8p n ASP 23 N 3.97 2.00 -4.76 1.61 8.00 0.14 -4.93 116.55 122.58 1q8p n ASP 23 Ca 0.00 -1.72 -0.41 0.00 0.71 0.00 0.00 54.79 53.37 1q8p n ASP 23 Cb 0.00 -0.09 -0.01 0.00 -0.02 0.00 0.00 41.12 41.00 1q8p n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q8p s ALA 24 N -1.83 3.70 0.15 2.24 0.00 -1.15 -4.45 121.76 120.42 1q8p s ALA 24 Ca 0.34 1.57 -0.24 0.00 0.00 0.00 0.00 51.96 53.64 1q8p s ALA 24 Cb 0.19 -3.64 0.07 0.00 0.00 0.00 0.00 23.12 19.75 1q8p s ALA 24 CO 0.29 -1.00 0.62 1.14 0.00 0.00 0.00 175.76 176.81 1q8p s GLN 25 N -0.89 1.25 -0.02 0.00 -2.07 -0.74 -4.75 119.66 112.44 1q8p s GLN 25 Ca 0.61 -0.44 -0.21 0.00 -1.82 0.00 0.00 55.36 53.50 1q8p s GLN 25 Cb -0.47 0.58 -0.05 0.00 -1.09 0.00 0.00 33.01 31.97 1q8p s GLN 25 CO 0.52 -0.54 0.61 0.42 -1.32 0.00 0.00 175.29 174.98 1q8p s ILE 26 N -3.64 4.94 -0.16 3.63 -1.09 -1.26 -0.50 121.20 123.12 1q8p s ILE 26 Ca 0.01 1.28 -0.08 0.00 -2.23 0.00 0.00 60.65 59.63 1q8p s ILE 26 Cb -0.01 -3.95 0.07 0.00 -1.58 0.00 0.00 42.46 36.99 1q8p s ILE 26 CO -0.12 0.38 0.38 -0.54 -1.23 0.00 0.00 174.94 173.81 1q8p s LYS 27 N 0.04 0.33 -1.28 2.79 1.02 -0.32 -4.93 119.74 117.39 1q8p s LYS 27 Ca 0.32 0.81 -0.00 0.00 0.02 0.00 0.00 55.97 57.12 1q8p s LYS 27 Cb -0.18 0.05 -0.00 0.00 -0.52 0.00 0.00 37.83 37.18 1q8p s LYS 27 CO 0.17 -0.19 0.77 0.09 -0.92 0.00 0.00 175.35 175.26 1q8p n ASN 28 N 4.64 -1.41 -1.72 2.83 3.02 -1.26 -2.31 115.26 119.05 1q8p n ASN 28 Ca -0.18 -0.78 -0.19 0.00 -0.03 0.00 0.00 54.58 53.40 1q8p n ASN 28 Cb 0.53 -4.29 -0.07 0.00 -0.61 0.00 0.00 39.78 35.34 1q8p n ASN 28 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1q8p n ASN 29 N -3.07 -5.04 -4.11 6.41 4.13 -1.25 -4.96 115.26 107.37 1q8p n ASN 29 Ca -0.30 0.38 -0.08 0.00 1.68 0.00 0.00 54.58 56.27 1q8p n ASN 29 Cb 0.68 -4.44 -0.10 0.00 -1.54 0.00 0.00 39.78 34.38 1q8p n ASN 29 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1q8p s ALA 30 N -2.66 0.63 -0.27 5.41 0.00 -0.98 -0.83 121.76 123.05 1q8p s ALA 30 Ca 0.00 -1.24 -0.16 0.00 0.00 0.00 0.00 51.96 50.56 1q8p s ALA 30 Cb 0.00 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 1q8p s ALA 30 CO 0.00 -0.33 0.43 0.08 0.00 0.00 0.00 175.76 175.94 1q8p s VAL 31 N -3.83 5.13 -0.54 0.00 1.01 -0.28 -1.18 120.40 120.72 1q8p s VAL 31 Ca 0.08 0.65 -0.18 0.00 0.00 0.00 0.00 61.98 62.53 1q8p s VAL 31 Cb 0.07 -3.76 0.09 0.00 0.00 0.00 0.00 36.38 32.78 1q8p s VAL 31 CO -0.09 0.10 0.59 -1.10 0.00 0.00 0.00 175.10 174.61 1q8p s GLN 32 N 2.17 3.05 0.20 2.72 -1.52 0.35 -0.71 119.66 125.92 1q8p s GLN 32 Ca 0.17 -1.25 -0.06 0.00 -1.95 0.00 0.00 55.36 52.27 1q8p s GLN 32 Cb -0.16 -4.19 0.14 0.00 -0.22 0.00 0.00 33.01 28.57 1q8p s GLN 32 CO 0.10 -1.32 1.63 -0.07 -0.25 0.00 0.00 175.29 175.38 1q8p h LEU 33 N 9.51 0.90 -9.46 2.90 3.38 -1.64 -1.98 115.31 118.93 1q8p h LEU 33 Ca -0.29 -0.30 -0.65 0.00 0.09 0.00 0.00 57.88 56.73 1q8p h LEU 33 Cb 1.10 -0.25 -0.12 0.00 0.09 0.00 0.00 40.66 41.48 1q8p h LEU 33 CO 1.01 1.04 -0.66 0.42 0.09 0.00 0.00 178.44 180.34 1q8p s THR 34 N -4.76 4.05 0.46 0.22 -4.23 -1.26 -2.93 115.64 107.19 1q8p s THR 34 Ca -0.10 -0.93 -0.24 0.00 -1.18 0.00 0.00 61.69 59.24 1q8p s THR 34 Cb 0.13 -2.91 -0.08 0.00 1.34 0.00 0.00 72.50 70.98 1q8p s THR 34 CO 0.85 0.16 1.30 1.17 -0.54 0.00 0.00 174.62 177.56 1q8p n LYS 35 N 0.69 1.90 -4.13 3.99 4.81 -1.26 -4.76 118.16 119.39 1q8p n LYS 35 Ca -0.11 0.68 -0.12 0.00 -0.87 0.00 0.00 58.31 57.89 1q8p n LYS 35 Cb 0.52 -2.46 -0.11 0.00 0.02 0.00 0.00 35.03 33.01 1q8p n LYS 35 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1q8p s THR 36 N -1.23 0.69 0.57 3.15 -4.23 -1.26 -2.91 115.64 110.41 1q8p s THR 36 Ca 0.64 -1.59 -0.09 0.00 -1.18 0.00 0.00 61.69 59.47 1q8p s THR 36 Cb -0.47 -1.26 0.13 0.00 1.34 0.00 0.00 72.50 72.24 1q8p s THR 36 CO 0.56 -0.65 0.77 -0.90 -0.54 0.00 0.00 174.62 173.86 1q8p n ASP 37 N 0.58 0.16 -0.25 3.99 5.68 -0.00 -4.84 116.55 121.87 1q8p n ASP 37 Ca -0.16 -1.34 0.11 0.00 -0.50 0.00 0.00 54.79 52.90 1q8p n ASP 37 Cb 0.58 -0.58 0.38 0.00 -1.14 0.00 0.00 41.12 40.36 1q8p n ASP 37 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1q8p h SER 38 N -0.96 0.63 -0.25 -1.12 0.02 -2.02 0.35 113.55 110.20 1q8p h SER 38 Ca -0.25 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1q8p h SER 38 Cb 0.71 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1q8p h SER 38 CO 0.19 0.33 0.00 -0.46 -1.14 0.00 0.00 176.83 175.75 1q8p n ASN 39 N -4.54 1.57 0.00 3.07 6.94 -1.26 -4.92 115.26 116.13 1q8p n ASN 39 Ca 0.16 -1.89 0.00 0.00 -0.02 0.00 0.00 54.58 52.83 1q8p n ASN 39 Cb 0.44 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.69 1q8p n ASN 39 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1q8p n GLY 40 N 1.02 0.72 3.77 4.83 0.00 0.11 -5.04 105.19 110.60 1q8p n GLY 40 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1q8p n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1q8p s ASN 41 N -2.41 7.50 0.60 1.61 0.02 -1.26 -4.68 114.94 116.31 1q8p s ASN 41 Ca 0.00 1.81 -0.19 0.00 -1.02 0.00 0.00 52.86 53.46 1q8p s ASN 41 Cb 0.00 -2.56 -0.03 0.00 0.02 0.00 0.00 41.25 38.68 1q8p s ASN 41 CO 0.00 0.15 1.24 -2.16 0.02 0.00 0.00 177.10 176.35 1q8p s PRO 42 N -1.30 2.92 0.25 -0.60 0.04 -1.26 -0.82 135.00 134.22 1q8p s PRO 42 Ca 0.40 1.93 0.09 0.00 0.04 0.00 0.00 61.00 63.46 1q8p s PRO 42 Cb -0.24 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 1q8p s PRO 42 CO 0.29 -1.28 -0.16 0.14 0.04 0.00 0.00 177.00 176.04 1q8p s VAL 43 N -1.51 2.03 0.72 -0.36 -7.23 -1.14 -4.83 120.40 108.07 1q8p s VAL 43 Ca 0.78 -2.28 -0.10 0.00 -1.81 0.00 0.00 61.98 58.57 1q8p s VAL 43 Cb -0.33 -2.20 0.04 0.00 0.56 0.00 0.00 36.38 34.44 1q8p s VAL 43 CO 0.36 -0.48 1.08 0.00 -0.31 0.00 0.00 175.10 175.75 1q8p s ALA 44 N -2.78 2.93 -0.81 1.32 0.00 -1.26 -4.58 121.76 116.57 1q8p s ALA 44 Ca 0.26 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.64 1q8p s ALA 44 Cb -0.02 -2.88 -0.00 0.00 0.00 0.00 0.00 23.12 20.22 1q8p s ALA 44 CO 0.11 -1.26 0.67 0.43 0.00 0.00 0.00 175.76 175.72 1q8p n SER 45 N -3.01 -6.47 -3.79 0.00 7.64 0.19 -4.99 113.62 103.19 1q8p n SER 45 Ca 0.07 -0.50 -0.13 0.00 1.01 0.00 0.00 58.87 59.33 1q8p n SER 45 Cb 0.59 -3.78 -0.11 0.00 -1.01 0.00 0.00 64.21 59.89 1q8p n SER 45 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1q8p s THR 46 N -3.04 0.01 0.01 0.44 -1.32 -0.44 -5.00 115.64 106.29 1q8p s THR 46 Ca 0.04 -0.07 0.01 0.00 -1.21 0.00 0.00 61.69 60.47 1q8p s THR 46 Cb -0.01 -0.38 -0.01 0.00 -1.51 0.00 0.00 72.50 70.59 1q8p s THR 46 CO 0.81 -0.04 -0.05 -0.69 -2.21 0.00 0.00 174.62 172.45 1q8p s VAL 47 N -0.04 0.35 -0.08 5.08 1.01 -1.26 -0.94 120.40 124.52 1q8p s VAL 47 Ca -0.02 -0.37 -0.25 0.00 0.00 0.00 0.00 61.98 61.34 1q8p s VAL 47 Cb -0.02 -0.34 0.06 0.00 0.00 0.00 0.00 36.38 36.08 1q8p s VAL 47 CO 0.01 -0.02 0.57 -0.83 0.00 0.00 0.00 175.10 174.82 1q8p s GLY 48 N -0.43 -0.44 0.08 4.51 0.00 -0.78 0.24 107.32 110.49 1q8p s GLY 48 Ca -0.01 1.14 -0.11 0.00 0.00 0.00 0.00 44.72 45.74 1q8p s GLY 48 CO -0.00 0.85 0.24 0.50 0.00 0.00 0.00 173.10 174.69 1q8p s ARG 49 N -0.91 0.85 0.02 2.90 0.52 -0.45 -1.62 118.95 120.25 1q8p s ARG 49 Ca -0.09 -0.78 0.02 0.00 -0.52 0.00 0.00 55.73 54.35 1q8p s ARG 49 Cb -0.02 0.35 -0.02 0.00 0.52 0.00 0.00 34.95 35.79 1q8p s ARG 49 CO 0.07 -0.28 -0.06 0.96 0.02 0.00 0.00 175.30 176.01 1q8p s ILE 50 N -3.39 0.39 0.03 1.52 -4.36 -0.51 -0.87 121.20 114.01 1q8p s ILE 50 Ca 0.01 -0.77 0.01 0.00 -0.26 0.00 0.00 60.65 59.64 1q8p s ILE 50 Cb 0.02 -0.44 -0.02 0.00 1.25 0.00 0.00 42.46 43.27 1q8p s ILE 50 CO -0.09 -0.26 -0.06 -0.76 0.24 0.00 0.00 174.94 174.02 1q8p s LEU 51 N -1.11 2.19 0.28 0.37 1.43 -0.60 -1.14 118.68 120.10 1q8p s LEU 51 Ca -0.08 -0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 52.32 1q8p s LEU 51 Cb -0.07 -0.12 -0.09 0.00 0.03 0.00 0.00 46.19 45.94 1q8p s LEU 51 CO -0.00 -0.16 0.99 0.12 0.23 0.00 0.00 176.35 177.54 1q8p s PHE 52 N -1.06 3.78 0.16 0.29 5.36 -0.66 -0.49 117.98 125.35 1q8p s PHE 52 Ca -0.08 1.82 -0.12 0.00 -0.96 0.00 0.00 56.93 57.58 1q8p s PHE 52 Cb -0.08 -3.07 0.04 0.00 -0.34 0.00 0.00 43.02 39.57 1q8p s PHE 52 CO -0.00 0.06 1.65 0.66 -1.46 0.00 0.00 175.22 176.13 1q8p h SER 53 N 3.79 0.82 -3.56 6.13 4.64 -1.23 -3.43 113.55 120.71 1q8p h SER 53 Ca -0.46 -0.25 -0.52 0.00 -0.47 0.00 0.00 61.79 60.09 1q8p h SER 53 Cb 1.20 -0.22 0.04 0.00 -0.31 0.00 0.00 62.40 63.11 1q8p h SER 53 CO 0.67 0.86 0.62 0.00 -0.87 0.00 0.00 176.83 178.11 1q8p s ALA 54 N -5.24 3.50 0.34 5.18 0.00 -1.26 -5.00 121.76 119.29 1q8p s ALA 54 Ca -0.13 1.11 -0.25 0.00 0.00 0.00 0.00 51.96 52.69 1q8p s ALA 54 Cb 0.12 -3.46 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 1q8p s ALA 54 CO 0.81 -0.50 0.95 -0.65 0.00 0.00 0.00 175.76 176.36 1q8p s GLN 55 N -0.68 4.52 -0.17 0.00 -0.21 -1.26 -4.82 119.66 117.05 1q8p s GLN 55 Ca 0.53 1.30 -0.07 0.00 0.02 0.00 0.00 55.36 57.14 1q8p s GLN 55 Cb -0.36 -2.69 -0.04 0.00 1.00 0.00 0.00 33.01 30.91 1q8p s GLN 55 CO 0.42 0.22 0.07 0.08 -2.12 0.00 0.00 175.29 173.96 1q8p s VAL 56 N -1.71 4.90 -0.79 1.09 1.01 0.61 -4.91 120.40 120.60 1q8p s VAL 56 Ca 0.52 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 62.29 1q8p s VAL 56 Cb -0.17 -3.19 0.09 0.00 0.00 0.00 0.00 36.38 33.11 1q8p s VAL 56 CO 0.22 0.49 1.07 -2.28 0.00 0.00 0.00 175.10 174.60 1q8p s HIS 57 N 0.09 2.80 0.14 5.22 2.46 -1.26 -1.19 115.29 123.55 1q8p s HIS 57 Ca 0.06 -0.85 -0.06 0.00 0.47 0.00 0.00 55.06 54.68 1q8p s HIS 57 Cb -0.12 -4.34 -0.05 0.00 -0.13 0.00 0.00 32.58 27.95 1q8p s HIS 57 CO 0.00 -1.64 1.36 1.25 -2.47 0.00 0.00 174.74 173.25 1q8p h LEU 58 N 11.22 0.67 -7.13 8.88 5.85 -1.16 -3.43 115.31 130.21 1q8p h LEU 58 Ca -0.09 -0.45 -0.04 0.00 0.84 0.00 0.00 57.88 58.13 1q8p h LEU 58 Cb 1.05 -0.20 -0.14 0.00 0.37 0.00 0.00 40.66 41.74 1q8p h LEU 58 CO 1.18 1.22 0.11 -1.66 -0.34 0.00 0.00 178.44 178.95 1q8p s TRP 59 N -3.61 -0.46 -0.16 1.25 1.48 -1.14 -0.10 118.94 116.20 1q8p s TRP 59 Ca -0.07 0.35 -0.01 0.00 -1.06 0.00 0.00 56.10 55.31 1q8p s TRP 59 Cb 0.09 0.43 0.04 0.00 -1.16 0.00 0.00 33.47 32.88 1q8p s TRP 59 CO 0.87 -0.75 -0.05 -2.00 -4.06 0.00 0.00 176.95 170.96 1q8p s GLU 60 N -3.20 1.40 0.31 3.25 2.12 -0.42 -4.56 118.70 117.60 1q8p s GLU 60 Ca -0.01 -0.49 0.01 0.00 0.36 0.00 0.00 54.97 54.83 1q8p s GLU 60 Cb -0.00 -1.97 0.52 0.00 0.26 0.00 0.00 34.13 32.93 1q8p s GLU 60 CO -0.08 -0.43 1.91 -0.22 -0.54 0.00 0.00 175.26 175.91 1q8p h LYS 61 N 8.13 0.82 -0.11 4.30 3.64 -1.96 -0.51 116.57 130.88 1q8p h LYS 61 Ca -0.24 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 1q8p h LYS 61 Cb 1.11 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1q8p h LYS 61 CO 0.40 0.65 -0.01 0.66 -2.27 0.00 0.00 179.45 178.88 1q8p h SER 62 N 0.82 0.21 0.52 4.20 4.64 -1.96 -3.23 113.55 118.74 1q8p h SER 62 Ca 0.20 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1q8p h SER 62 Cb 0.11 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1q8p h SER 62 CO -0.02 0.49 -0.43 -1.54 -0.87 0.00 0.00 176.83 174.45 1q8p n SER 63 N -4.78 0.50 -1.26 4.97 3.41 -1.21 -4.94 113.62 110.31 1q8p n SER 63 Ca -0.06 -0.25 -0.13 0.00 -0.26 0.00 0.00 58.87 58.17 1q8p n SER 63 Cb 0.22 0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.31 1q8p n SER 63 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1q8p n SER 64 N -1.42 -4.38 -4.91 4.04 2.88 -0.22 -5.00 113.62 104.61 1q8p n SER 64 Ca 0.06 0.16 -0.29 0.00 -1.33 0.00 0.00 58.87 57.48 1q8p n SER 64 Cb 0.34 -3.30 -0.03 0.00 -0.75 0.00 0.00 64.21 60.46 1q8p n SER 64 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1q8p s ARG 65 N -3.87 3.61 -0.01 -1.46 0.52 -1.08 -4.70 118.95 111.97 1q8p s ARG 65 Ca 0.00 -0.09 0.02 0.00 -0.52 0.00 0.00 55.73 55.14 1q8p s ARG 65 Cb 0.00 -2.73 -0.00 0.00 0.52 0.00 0.00 34.95 32.74 1q8p s ARG 65 CO 0.00 0.31 -0.06 0.08 0.02 0.00 0.00 175.30 175.65 1q8p s VAL 66 N -1.95 0.50 0.36 3.52 1.01 -0.85 -1.30 120.40 121.69 1q8p s VAL 66 Ca 0.42 -0.24 -0.18 0.00 0.00 0.00 0.00 61.98 61.98 1q8p s VAL 66 Cb -0.11 -0.44 -0.10 0.00 0.00 0.00 0.00 36.38 35.73 1q8p s VAL 66 CO 0.28 0.16 0.83 0.00 0.00 0.00 0.00 175.10 176.37 1q8p s ALA 67 N 0.03 3.21 0.17 5.51 0.00 0.86 -1.74 121.76 129.80 1q8p s ALA 67 Ca 0.00 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.20 1q8p s ALA 67 Cb -0.05 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 1q8p s ALA 67 CO -0.00 0.25 0.27 0.54 0.00 0.00 0.00 175.76 176.81 1q8p s ASN 68 N -2.19 6.19 0.06 0.00 4.22 -0.60 -4.48 114.94 118.14 1q8p s ASN 68 Ca 0.57 0.10 -0.17 0.00 -2.14 0.00 0.00 52.86 51.21 1q8p s ASN 68 Cb -0.10 -1.82 0.03 0.00 1.28 0.00 0.00 41.25 40.64 1q8p s ASN 68 CO 0.16 0.04 0.40 0.72 -2.04 0.00 0.00 177.10 176.38 1q8p s PHE 69 N -1.78 -0.24 -0.04 1.54 -0.12 -1.03 -1.98 117.98 114.32 1q8p s PHE 69 Ca 0.34 0.13 -0.01 0.00 -0.05 0.00 0.00 56.93 57.34 1q8p s PHE 69 Cb -0.11 0.22 0.03 0.00 -0.63 0.00 0.00 43.02 42.54 1q8p s PHE 69 CO 0.28 -0.60 0.08 -1.14 -0.05 0.00 0.00 175.22 173.79 1q8p s GLN 70 N -2.79 0.01 -0.12 1.99 0.74 -0.33 -1.14 119.66 118.02 1q8p s GLN 70 Ca -0.03 0.29 0.01 0.00 0.05 0.00 0.00 55.36 55.68 1q8p s GLN 70 Cb -0.00 -0.24 0.02 0.00 1.10 0.00 0.00 33.01 33.88 1q8p s GLN 70 CO -0.05 -0.19 -0.14 0.45 -0.55 0.00 0.00 175.29 174.81 1q8p s SER 71 N 1.24 2.46 -0.10 6.67 0.15 0.48 -1.76 113.70 122.85 1q8p s SER 71 Ca -0.08 -0.43 0.04 0.00 0.70 0.00 0.00 55.95 56.19 1q8p s SER 71 Cb -0.12 -1.09 -0.00 0.00 -1.71 0.00 0.00 66.02 63.10 1q8p s SER 71 CO -0.04 -0.01 -0.24 -1.58 1.20 0.00 0.00 173.24 172.57 1q8p s GLN 72 N 1.14 3.01 0.20 5.44 0.74 -0.10 -0.48 119.66 129.61 1q8p s GLN 72 Ca -0.03 -0.88 -0.18 0.00 0.05 0.00 0.00 55.36 54.32 1q8p s GLN 72 Cb -0.14 -2.29 0.03 0.00 1.10 0.00 0.00 33.01 31.71 1q8p s GLN 72 CO -0.04 0.20 0.54 -0.59 -0.55 0.00 0.00 175.29 174.85 1q8p s PHE 73 N 0.29 -0.13 0.01 1.67 -0.12 -0.45 -0.39 117.98 118.87 1q8p s PHE 73 Ca -0.18 -0.22 0.01 0.00 -0.05 0.00 0.00 56.93 56.50 1q8p s PHE 73 Cb -0.18 0.41 -0.01 0.00 -0.63 0.00 0.00 43.02 42.61 1q8p s PHE 73 CO 0.09 -0.94 -0.05 -1.54 -0.05 0.00 0.00 175.22 172.73 1q8p s SER 74 N -2.88 0.54 0.17 1.98 1.04 -1.03 -0.13 113.70 113.39 1q8p s SER 74 Ca 0.09 -0.27 -0.09 0.00 0.48 0.00 0.00 55.95 56.16 1q8p s SER 74 Cb -0.01 -0.00 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 1q8p s SER 74 CO -0.02 -0.08 0.29 0.72 0.98 0.00 0.00 173.24 175.14 1q8p s PHE 75 N -0.66 0.37 0.02 5.02 -0.71 -1.01 -0.97 117.98 120.05 1q8p s PHE 75 Ca -0.04 -0.74 0.00 0.00 -1.04 0.00 0.00 56.93 55.11 1q8p s PHE 75 Cb -0.05 -0.04 -0.02 0.00 -1.21 0.00 0.00 43.02 41.70 1q8p s PHE 75 CO -0.00 -0.73 -0.04 -1.54 -1.34 0.00 0.00 175.22 171.57 1q8p s SER 76 N -2.96 0.34 -0.05 1.98 1.04 -0.44 -0.95 113.70 112.66 1q8p s SER 76 Ca 0.17 -0.50 0.06 0.00 0.48 0.00 0.00 55.95 56.15 1q8p s SER 76 Cb 0.03 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 1q8p s SER 76 CO -0.00 -0.28 -0.23 -0.76 0.98 0.00 0.00 173.24 172.95 1q8p s LEU 77 N -1.46 2.02 0.00 2.42 1.43 -1.26 -1.71 118.68 120.13 1q8p s LEU 77 Ca -0.15 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.50 1q8p s LEU 77 Cb -0.10 -1.24 -0.00 0.00 0.03 0.00 0.00 46.19 44.88 1q8p s LEU 77 CO -0.01 0.23 -0.02 -0.54 0.23 0.00 0.00 176.35 176.24 1q8p s LYS 78 N -0.18 0.16 -0.24 1.70 -0.14 -1.21 0.25 119.74 120.08 1q8p s LYS 78 Ca -0.01 -0.10 -0.22 0.00 -1.36 0.00 0.00 55.97 54.27 1q8p s LYS 78 Cb -0.12 -0.14 0.06 0.00 -1.68 0.00 0.00 37.83 35.95 1q8p s LYS 78 CO 0.02 0.04 0.64 0.45 -0.76 0.00 0.00 175.35 175.75 1q8p s SER 79 N -0.13 -0.67 0.51 2.83 0.15 -1.26 -0.62 113.70 114.51 1q8p s SER 79 Ca -0.00 1.29 0.24 0.00 0.70 0.00 0.00 55.95 58.18 1q8p s SER 79 Cb -0.01 1.31 1.38 0.00 -1.71 0.00 0.00 66.02 66.99 1q8p s SER 79 CO -0.00 -0.23 2.07 -0.65 1.20 0.00 0.00 173.24 175.64 1q8p h PRO 80 N 5.10 0.00 0.00 5.44 0.11 -1.97 -3.41 132.00 137.27 1q8p h PRO 80 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1q8p h PRO 80 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1q8p h PRO 80 CO 0.10 0.12 0.00 1.28 -0.21 0.00 0.00 178.00 179.29 1q8p n LEU 81 N -3.84 0.00 0.00 2.35 4.77 -1.26 -5.06 117.00 113.97 1q8p n LEU 81 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1q8p n LEU 81 Cb 0.22 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1q8p n LEU 81 CO 0.31 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.13 1q8p n SER 82 N 0.00 0.00 -1.89 -1.43 2.88 -1.26 -4.90 113.62 107.02 1q8p n SER 82 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1q8p n SER 82 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1q8p n SER 82 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1q8p n ASN 83 N -1.06 5.92 -4.60 -3.46 5.03 -1.26 -4.96 115.26 110.86 1q8p n ASN 83 Ca 0.00 -2.79 -0.40 0.00 0.87 0.00 0.00 54.58 52.26 1q8p n ASN 83 Cb 0.00 -1.17 0.02 0.00 -1.02 0.00 0.00 39.78 37.61 1q8p n ASN 83 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1q8p n GLY 84 N 1.17 -0.33 3.21 7.41 0.00 -1.26 -4.60 105.19 110.78 1q8p n GLY 84 Ca 0.26 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 46.25 1q8p n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q8p s ALA 85 N -1.36 0.28 -0.04 4.61 0.00 -1.24 -4.36 121.76 119.64 1q8p s ALA 85 Ca 0.66 -1.04 0.11 0.00 0.00 0.00 0.00 51.96 51.69 1q8p s ALA 85 Cb -0.52 0.65 -0.16 0.00 0.00 0.00 0.00 23.12 23.10 1q8p s ALA 85 CO 0.55 -0.51 0.19 -0.25 0.00 0.00 0.00 175.76 175.73 1q8p n ASP 86 N -0.08 2.48 0.00 0.00 8.00 0.65 -2.74 116.55 124.85 1q8p n ASP 86 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1q8p n ASP 86 Cb 0.63 1.32 0.00 0.00 -0.02 0.00 0.00 41.12 43.05 1q8p n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q8p n GLY 87 N 2.00 2.74 3.27 0.44 0.00 -1.23 -2.50 105.19 109.90 1q8p n GLY 87 Ca -0.06 -1.71 -0.21 0.00 0.00 0.00 0.00 46.02 44.04 1q8p n GLY 87 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1q8p s ILE 88 N -1.85 1.56 -0.07 -0.61 2.07 -0.95 -3.07 121.20 118.28 1q8p s ILE 88 Ca 0.00 -1.65 -0.08 0.00 -1.41 0.00 0.00 60.65 57.51 1q8p s ILE 88 Cb 0.00 -1.55 0.02 0.00 0.13 0.00 0.00 42.46 41.06 1q8p s ILE 88 CO 0.00 -0.24 0.22 0.00 -1.91 0.00 0.00 174.94 173.01 1q8p s ALA 89 N -1.65 -0.54 -0.12 1.50 0.00 0.40 -0.71 121.76 120.63 1q8p s ALA 89 Ca 0.08 0.52 -0.17 0.00 0.00 0.00 0.00 51.96 52.40 1q8p s ALA 89 Cb -0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1q8p s ALA 89 CO 0.04 -0.13 0.41 0.12 0.00 0.00 0.00 175.76 176.21 1q8p s PHE 90 N -0.14 3.51 0.09 0.00 5.36 -0.52 -0.90 117.98 125.38 1q8p s PHE 90 Ca -0.02 0.80 -0.00 0.00 -0.96 0.00 0.00 56.93 56.74 1q8p s PHE 90 Cb -0.02 -2.47 -0.04 0.00 -0.34 0.00 0.00 43.02 40.15 1q8p s PHE 90 CO 0.01 0.22 -0.01 -0.59 -1.46 0.00 0.00 175.22 173.38 1q8p s PHE 91 N 0.46 0.72 -0.06 10.12 -0.71 -0.16 -0.65 117.98 127.71 1q8p s PHE 91 Ca 0.23 -1.08 0.03 0.00 -1.04 0.00 0.00 56.93 55.07 1q8p s PHE 91 Cb -0.14 -0.46 0.01 0.00 -1.21 0.00 0.00 43.02 41.22 1q8p s PHE 91 CO 0.08 -0.36 -0.13 0.42 -1.34 0.00 0.00 175.22 173.89 1q8p s ILE 92 N -3.88 1.15 0.30 -4.49 1.01 -0.01 -1.62 121.20 113.66 1q8p s ILE 92 Ca 0.13 -0.51 -0.16 0.00 0.00 0.00 0.00 60.65 60.11 1q8p s ILE 92 Cb 0.07 -1.03 0.02 0.00 0.01 0.00 0.00 42.46 41.53 1q8p s ILE 92 CO -0.05 0.35 0.64 0.00 0.00 0.00 0.00 174.94 175.88 1q8p s ALA 93 N 0.48 -0.68 0.62 9.38 0.00 -0.76 -2.21 121.76 128.59 1q8p s ALA 93 Ca -0.11 -0.66 -0.18 0.00 0.00 0.00 0.00 51.96 51.01 1q8p s ALA 93 Cb -0.14 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 1q8p s ALA 93 CO 0.03 -0.96 1.00 -2.30 0.00 0.00 0.00 175.76 173.53 1q8p n PRO 94 N -0.46 0.88 -0.07 0.00 -0.02 -1.26 -0.85 135.00 133.23 1q8p n PRO 94 Ca -0.04 0.35 0.21 0.00 -2.02 0.00 0.00 63.50 62.00 1q8p n PRO 94 Cb 0.60 -2.21 0.66 0.00 -0.02 0.00 0.00 33.50 32.53 1q8p n PRO 94 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1q8p h PRO 95 N 0.42 0.08 -0.57 0.52 0.11 -1.85 -2.15 132.00 128.56 1q8p h PRO 95 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1q8p h PRO 95 Cb 1.36 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1q8p h PRO 95 CO 0.51 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 1q8p n ASP 96 N -4.38 2.94 -4.74 -2.05 3.85 -1.26 -4.89 116.55 106.02 1q8p n ASP 96 Ca 0.12 -2.23 -0.42 0.00 -0.71 0.00 0.00 54.79 51.56 1q8p n ASP 96 Cb 0.66 -0.42 -0.00 0.00 -1.35 0.00 0.00 41.12 40.00 1q8p n ASP 96 CO 0.00 0.00 0.00 1.07 -1.01 0.00 0.00 177.20 177.26 1q8p n THR 97 N 0.61 2.02 -4.20 2.12 5.66 -0.81 -5.01 114.28 114.67 1q8p n THR 97 Ca 0.15 -0.50 -0.12 0.00 -3.05 0.00 0.00 64.05 60.53 1q8p n THR 97 Cb 0.55 -1.76 -0.10 0.00 -1.55 0.00 0.00 70.33 67.47 1q8p n THR 97 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1q8p s THR 98 N -1.11 0.24 -0.11 1.09 -4.23 -1.26 -5.09 115.64 105.17 1q8p s THR 98 Ca 0.54 -1.96 -0.29 0.00 -1.18 0.00 0.00 61.69 58.80 1q8p s THR 98 Cb -0.52 -2.26 -0.05 0.00 1.34 0.00 0.00 72.50 71.01 1q8p s THR 98 CO 0.63 -0.28 1.75 -0.63 -0.54 0.00 0.00 174.62 175.55 1q8p s ILE 99 N -3.97 3.47 0.41 2.99 1.01 -1.26 -4.96 121.20 118.90 1q8p s ILE 99 Ca 0.30 0.54 -0.26 0.00 0.00 0.00 0.00 60.65 61.24 1q8p s ILE 99 Cb 0.07 -3.41 -0.08 0.00 0.01 0.00 0.00 42.46 39.04 1q8p s ILE 99 CO 0.06 -0.12 1.31 -2.84 0.00 0.00 0.00 174.94 173.36 1q8p s PRO 100 N 4.53 3.92 0.20 2.79 0.02 -1.26 -4.93 135.00 140.27 1q8p s PRO 100 Ca 0.78 2.16 -0.32 0.00 0.02 0.00 0.00 61.00 63.65 1q8p s PRO 100 Cb -0.32 -2.72 -0.12 0.00 0.02 0.00 0.00 34.50 31.36 1q8p s PRO 100 CO 0.32 -0.54 1.73 0.45 -0.33 0.00 0.00 177.00 178.63 1q8p s SER 101 N -0.75 6.39 -0.89 2.53 0.15 -1.26 -2.25 113.70 117.62 1q8p s SER 101 Ca 0.58 2.85 0.00 0.00 0.70 0.00 0.00 55.95 60.08 1q8p s SER 101 Cb -0.38 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.33 1q8p s SER 101 CO 0.49 -0.97 0.00 0.61 1.20 0.00 0.00 173.24 174.56 1q8p n GLY 102 N 4.01 0.34 1.17 9.45 0.00 -1.26 -4.38 105.19 114.52 1q8p n GLY 102 Ca 0.16 -0.52 0.06 0.00 0.00 0.00 0.00 46.02 45.73 1q8p n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q8p n SER 103 N 0.25 3.40 -3.15 1.61 3.41 -0.95 -4.23 113.62 113.95 1q8p n SER 103 Ca -0.11 -2.31 -0.18 0.00 -0.26 0.00 0.00 58.87 56.01 1q8p n SER 103 Cb 0.50 -0.48 0.15 0.00 -0.26 0.00 0.00 64.21 64.13 1q8p n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1q8p n GLY 104 N 0.85 -2.57 7.00 5.00 0.00 -1.26 0.23 105.19 114.44 1q8p n GLY 104 Ca 0.17 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1q8p n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q8p n GLY 105 N -1.88 3.44 0.06 -0.02 0.00 -1.26 -2.16 105.19 103.38 1q8p n GLY 105 Ca 0.09 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.15 1q8p n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q8p n GLY 106 N 0.00 -0.87 0.25 -0.02 0.00 -1.26 -1.79 105.19 101.50 1q8p n GLY 106 Ca 0.00 0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.22 1q8p n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q8p n LEU 107 N -1.82 0.80 -1.09 0.99 4.77 -0.92 -4.92 117.00 114.81 1q8p n LEU 107 Ca 0.01 -0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 55.64 1q8p n LEU 107 Cb 0.10 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1q8p n LEU 107 CO 0.10 0.13 -0.10 0.18 -1.33 0.00 0.00 177.39 176.37 1q8p n LEU 108 N -0.41 -0.62 -0.14 2.23 4.77 -0.74 -1.22 117.00 120.86 1q8p n LEU 108 Ca 0.20 0.26 -0.02 0.00 -0.03 0.00 0.00 56.01 56.42 1q8p n LEU 108 Cb 0.25 -1.93 -0.01 0.00 -2.33 0.00 0.00 43.42 39.40 1q8p n LEU 108 CO 0.18 -0.67 -0.02 0.61 -1.33 0.00 0.00 177.39 176.16 1q8p n GLY 109 N -0.06 0.53 0.04 -0.72 0.00 0.14 -3.83 105.19 101.30 1q8p n GLY 109 Ca -0.10 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 1q8p n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q8p n LEU 110 N -0.21 0.00 -4.26 0.99 4.77 -0.36 -4.47 117.00 113.47 1q8p n LEU 110 Ca -0.02 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.78 1q8p n LEU 110 Cb 0.12 0.22 -0.11 0.00 -2.33 0.00 0.00 43.42 41.32 1q8p n LEU 110 CO 0.03 0.22 -0.45 -0.36 -1.33 0.00 0.00 177.39 175.50 1q8p s PHE 111 N -2.35 1.46 0.16 -1.77 0.40 -1.19 -4.85 117.98 109.84 1q8p s PHE 111 Ca -0.05 -0.56 -0.18 0.00 -0.60 0.00 0.00 56.93 55.54 1q8p s PHE 111 Cb 0.04 -0.75 -0.07 0.00 0.51 0.00 0.00 43.02 42.74 1q8p s PHE 111 CO 0.44 0.17 0.63 0.00 0.70 0.00 0.00 175.22 177.17 1q8p s ALA 112 N -2.24 3.51 0.20 5.36 0.00 -1.26 -4.07 121.76 123.26 1q8p s ALA 112 Ca 0.11 0.05 -0.14 0.00 0.00 0.00 0.00 51.96 51.98 1q8p s ALA 112 Cb -0.04 -2.69 0.20 0.00 0.00 0.00 0.00 23.12 20.59 1q8p s ALA 112 CO 0.03 0.38 1.65 -1.35 0.00 0.00 0.00 175.76 176.47 1q8p h PRO 113 N 3.81 0.02 0.00 0.00 0.11 -1.76 -0.06 132.00 134.11 1q8p h PRO 113 Ca -0.48 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1q8p h PRO 113 Cb 1.20 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1q8p h PRO 113 CO 0.65 0.02 -0.04 0.78 -0.21 0.00 0.00 178.00 179.20 1q8p h GLY 114 N 0.02 0.00 -0.22 -0.55 0.00 -1.94 -3.21 103.07 97.18 1q8p h GLY 114 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1q8p h GLY 114 CO -0.55 0.00 -0.11 -1.30 0.00 0.00 0.00 176.54 174.58 1q8p n THR 115 N -3.24 0.98 -0.12 4.70 -2.24 -0.90 -4.83 114.28 108.62 1q8p n THR 115 Ca -0.01 -1.12 0.21 0.00 -2.27 0.00 0.00 64.05 60.85 1q8p n THR 115 Cb 0.21 0.29 0.62 0.00 -2.10 0.00 0.00 70.33 69.36 1q8p n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q8p h ALA 116 N 0.00 2.43 -0.20 6.98 0.00 -1.02 -1.80 119.26 125.66 1q8p h ALA 116 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1q8p h ALA 116 Cb 0.96 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1q8p h ALA 116 CO 0.00 -0.64 0.00 1.04 0.00 0.00 0.00 179.25 179.65 1q8p n GLN 117 N -4.40 2.65 -3.26 0.00 6.02 -1.26 -1.18 117.38 115.94 1q8p n GLN 117 Ca 0.14 -2.28 -0.46 0.00 -0.01 0.00 0.00 57.00 54.39 1q8p n GLN 117 Cb 0.68 -1.44 -0.05 0.00 1.02 0.00 0.00 30.24 30.45 1q8p n GLN 117 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1q8p s ASN 118 N -1.61 6.21 0.51 1.08 3.84 -0.68 -4.94 114.94 119.36 1q8p s ASN 118 Ca 0.26 -1.74 0.21 0.00 0.21 0.00 0.00 52.86 51.80 1q8p s ASN 118 Cb 0.19 -2.23 1.34 0.00 -0.55 0.00 0.00 41.25 40.00 1q8p s ASN 118 CO 0.08 -0.91 2.10 0.71 -2.79 0.00 0.00 177.10 176.29 1q8p h THR 119 N 5.86 0.84 -0.00 -5.21 1.35 -1.85 -2.17 112.91 111.73 1q8p h THR 119 Ca -0.28 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1q8p h THR 119 Cb 1.09 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1q8p h THR 119 CO 1.05 0.09 -0.02 -1.54 -0.25 0.00 0.00 175.52 174.84 1q8p n SER 120 N -4.09 0.15 -0.54 5.36 3.41 -1.26 -3.43 113.62 113.22 1q8p n SER 120 Ca -0.03 -0.52 0.07 0.00 -0.26 0.00 0.00 58.87 58.13 1q8p n SER 120 Cb 0.18 -0.15 0.05 0.00 -0.26 0.00 0.00 64.21 64.03 1q8p n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q8p n ALA 121 N -1.09 2.55 -2.37 7.33 0.00 -0.82 -5.01 120.51 121.11 1q8p n ALA 121 Ca 0.17 -0.60 -0.19 0.00 0.00 0.00 0.00 53.44 52.82 1q8p n ALA 121 Cb 0.22 -0.48 -0.10 0.00 0.00 0.00 0.00 19.45 19.08 1q8p n ALA 121 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1q8p s ASN 122 N -1.26 2.71 -0.40 0.00 0.01 -1.22 -5.09 114.94 109.68 1q8p s ASN 122 Ca 0.16 -1.03 0.03 0.00 -0.71 0.00 0.00 52.86 51.31 1q8p s ASN 122 Cb 0.12 -0.16 0.16 0.00 0.41 0.00 0.00 41.25 41.78 1q8p s ASN 122 CO 0.20 -0.15 0.30 -1.10 -1.51 0.00 0.00 177.10 174.84 1q8p s GLN 123 N -3.63 0.85 -0.24 -0.60 -0.21 -1.26 -4.83 119.66 109.73 1q8p s GLN 123 Ca 0.24 -1.91 -0.26 0.00 0.02 0.00 0.00 55.36 53.45 1q8p s GLN 123 Cb -0.01 -1.45 0.07 0.00 1.00 0.00 0.00 33.01 32.62 1q8p s GLN 123 CO 0.08 -1.33 0.72 0.54 -2.12 0.00 0.00 175.29 173.18 1q8p s VAL 124 N 0.33 0.00 -0.09 1.09 0.11 -1.26 -4.26 120.40 116.31 1q8p s VAL 124 Ca 0.28 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.36 1q8p s VAL 124 Cb -0.05 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.81 1q8p s VAL 124 CO -0.13 0.00 -0.20 -0.63 -3.33 0.00 0.00 175.10 170.81 1q8p s ILE 125 N 0.19 1.72 0.02 7.04 1.01 -0.94 -0.76 121.20 129.49 1q8p s ILE 125 Ca -0.01 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 1q8p s ILE 125 Cb -0.04 -1.51 -0.00 0.00 0.01 0.00 0.00 42.46 40.91 1q8p s ILE 125 CO 0.02 0.49 0.13 0.00 0.00 0.00 0.00 174.94 175.57 1q8p s ALA 126 N 0.50 -0.22 -0.27 9.38 0.00 0.31 -0.83 121.76 130.63 1q8p s ALA 126 Ca -0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 1q8p s ALA 126 Cb -0.17 0.19 0.04 0.00 0.00 0.00 0.00 23.12 23.19 1q8p s ALA 126 CO 0.06 -0.28 -0.04 0.08 0.00 0.00 0.00 175.76 175.58 1q8p s VAL 127 N -2.06 2.82 0.08 0.00 1.01 0.18 0.36 120.40 122.79 1q8p s VAL 127 Ca -0.09 -1.27 0.02 0.00 0.00 0.00 0.00 61.98 60.64 1q8p s VAL 127 Cb -0.04 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1q8p s VAL 127 CO -0.02 0.03 0.11 -1.83 0.00 0.00 0.00 175.10 173.40 1q8p s GLU 128 N 1.26 3.01 -0.45 2.72 -1.05 0.30 -1.43 118.70 123.06 1q8p s GLU 128 Ca -0.03 -0.64 0.03 0.00 -0.15 0.00 0.00 54.97 54.18 1q8p s GLU 128 Cb -0.18 -2.79 0.12 0.00 -0.44 0.00 0.00 34.13 30.83 1q8p s GLU 128 CO -0.03 0.57 0.20 -0.06 0.95 0.00 0.00 175.26 176.89 1q8p s PHE 129 N -1.43 2.88 -0.30 4.83 0.40 0.11 -0.98 117.98 123.50 1q8p s PHE 129 Ca 0.31 -2.84 -0.15 0.00 -0.60 0.00 0.00 56.93 53.64 1q8p s PHE 129 Cb -0.12 -2.52 -0.03 0.00 0.51 0.00 0.00 43.02 40.86 1q8p s PHE 129 CO 0.23 -0.80 0.38 0.34 0.70 0.00 0.00 175.22 176.07 1q8p s ASP 130 N 0.26 6.23 0.00 1.36 -1.08 -0.28 -2.23 116.67 120.94 1q8p s ASP 130 Ca 0.15 0.10 0.17 0.00 -0.52 0.00 0.00 52.55 52.46 1q8p s ASP 130 Cb -0.24 -2.21 0.04 0.00 -1.46 0.00 0.00 42.92 39.05 1q8p s ASP 130 CO -0.04 -0.25 0.94 0.35 0.52 0.00 0.00 175.17 176.69 1q8p n THR 131 N 5.18 0.00 -4.45 1.71 -2.24 -1.04 -1.65 114.28 111.80 1q8p n THR 131 Ca -0.08 -0.38 -0.27 0.00 -2.27 0.00 0.00 64.05 61.05 1q8p n THR 131 Cb 0.50 1.25 -0.17 0.00 -2.10 0.00 0.00 70.33 69.82 1q8p n THR 131 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1q8p s PHE 132 N -1.83 1.77 -0.02 4.78 5.36 -1.25 -4.81 117.98 121.98 1q8p s PHE 132 Ca 0.16 -0.79 0.03 0.00 -0.96 0.00 0.00 56.93 55.38 1q8p s PHE 132 Cb 0.14 -1.30 0.05 0.00 -0.34 0.00 0.00 43.02 41.58 1q8p s PHE 132 CO 0.37 -0.42 0.92 2.48 -1.46 0.00 0.00 175.22 177.10 1q8p n TYR 133 N 4.16 0.00 -1.64 10.12 4.11 -1.26 -4.96 117.16 127.69 1q8p n TYR 133 Ca -0.19 -0.22 -0.52 0.00 -0.00 0.00 0.00 57.90 56.97 1q8p n TYR 133 Cb 0.51 -0.06 -0.06 0.00 -0.00 0.00 0.00 39.34 39.74 1q8p n TYR 133 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1q8p n ALA 134 N -0.30 -0.14 0.39 -3.48 0.00 -1.26 -4.72 120.51 110.99 1q8p n ALA 134 Ca 0.03 0.45 0.07 0.00 0.00 0.00 0.00 53.44 53.98 1q8p n ALA 134 Cb 0.61 -2.21 0.30 0.00 0.00 0.00 0.00 19.45 18.15 1q8p n ALA 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1q8p n GLN 135 N 3.85 0.04 0.06 0.00 1.13 -1.26 -0.43 117.38 120.76 1q8p n GLN 135 Ca 0.21 0.33 -0.11 0.00 -1.94 0.00 0.00 57.00 55.49 1q8p n GLN 135 Cb 0.21 -1.58 -0.00 0.00 0.11 0.00 0.00 30.24 28.98 1q8p n GLN 135 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 1q8p h ASP 136 N 0.00 0.50 0.00 1.08 2.03 -1.99 -3.34 116.42 114.71 1q8p h ASP 136 Ca 0.00 -0.36 -0.10 0.00 -0.73 0.00 0.00 57.03 55.85 1q8p h ASP 136 Cb 0.22 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 38.55 1q8p h ASP 136 CO 0.00 1.12 -1.40 -1.54 -1.03 0.00 0.00 179.24 176.39 1q8p n SER 137 N -3.80 3.52 -3.20 4.15 3.41 -1.09 -4.75 113.62 111.85 1q8p n SER 137 Ca -0.05 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.25 1q8p n SER 137 Cb 0.75 0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 65.40 1q8p n SER 137 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1q8p n ASN 138 N -2.16 5.21 0.30 4.04 5.03 0.42 -4.87 115.26 123.24 1q8p n ASN 138 Ca -0.09 -3.66 0.18 0.00 0.87 0.00 0.00 54.58 51.89 1q8p n ASN 138 Cb 0.63 -0.75 1.02 0.00 -1.02 0.00 0.00 39.78 39.66 1q8p n ASN 138 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1q8p h THR 139 N 2.83 0.29 0.00 3.41 1.03 -1.75 -1.92 112.91 116.80 1q8p h THR 139 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.64 1q8p h THR 139 Cb 0.48 0.96 0.00 0.00 -1.07 0.00 0.00 68.15 68.51 1q8p h THR 139 CO 0.93 0.00 -0.04 -2.67 -0.01 0.00 0.00 175.52 173.73 1q8p n TRP 140 N -3.50 0.41 -3.11 0.00 2.14 -1.26 -4.90 117.44 107.22 1q8p n TRP 140 Ca -0.02 0.12 -0.32 0.00 2.07 0.00 0.00 57.50 59.34 1q8p n TRP 140 Cb 0.13 -0.68 -0.06 0.00 -0.81 0.00 0.00 31.31 29.89 1q8p n TRP 140 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1q8p s ASP 141 N -3.68 6.73 0.81 -0.67 1.01 -0.72 -4.76 116.67 115.39 1q8p s ASP 141 Ca 0.12 1.24 -0.11 0.00 0.71 0.00 0.00 52.55 54.51 1q8p s ASP 141 Cb 0.16 -2.36 0.08 0.00 1.01 0.00 0.00 42.92 41.81 1q8p s ASP 141 CO 0.57 -0.23 1.09 -2.16 0.21 0.00 0.00 175.17 174.65 1q8p s PRO 142 N -3.11 2.00 -0.77 8.23 0.04 -1.26 -4.89 135.00 135.24 1q8p s PRO 142 Ca 0.53 0.86 -0.07 0.00 0.04 0.00 0.00 61.00 62.37 1q8p s PRO 142 Cb -0.10 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 1q8p s PRO 142 CO 0.20 -1.74 3.10 -1.71 0.04 0.00 0.00 177.00 176.89 1q8p n ASN 143 N -3.55 6.96 -3.62 6.66 5.15 -1.26 -4.82 115.26 120.78 1q8p n ASN 143 Ca 0.08 -2.73 -0.03 0.00 -0.60 0.00 0.00 54.58 51.29 1q8p n ASN 143 Cb 0.55 -1.42 -0.02 0.00 -0.53 0.00 0.00 39.78 38.35 1q8p n ASN 143 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1q8p s TYR 144 N 0.57 -0.08 0.54 1.20 -0.85 -1.26 -5.10 117.35 112.38 1q8p s TYR 144 Ca 0.65 0.07 -0.21 0.00 -0.52 0.00 0.00 57.07 57.05 1q8p s TYR 144 Cb 0.27 0.50 -0.06 0.00 0.38 0.00 0.00 41.96 43.06 1q8p s TYR 144 CO -0.07 -0.11 1.25 -0.35 -1.52 0.00 0.00 175.55 174.74 1q8p n PRO 145 N 0.08 1.51 -3.66 -3.49 -0.04 -1.26 -4.88 135.00 123.26 1q8p n PRO 145 Ca 0.02 0.56 -0.09 0.00 -0.04 0.00 0.00 63.50 63.95 1q8p n PRO 145 Cb 0.58 -2.44 -0.02 0.00 -0.04 0.00 0.00 33.50 31.57 1q8p n PRO 145 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1q8p s HIS 146 N -1.32 -0.33 -0.11 0.54 -3.43 -0.66 -1.61 115.29 108.37 1q8p s HIS 146 Ca 0.71 -0.00 -0.01 0.00 -0.80 0.00 0.00 55.06 54.96 1q8p s HIS 146 Cb -0.43 0.64 -0.03 0.00 -1.43 0.00 0.00 32.58 31.33 1q8p s HIS 146 CO 0.50 -1.01 -0.07 0.42 -2.00 0.00 0.00 174.74 172.57 1q8p s ILE 147 N -3.75 3.63 0.04 -5.38 1.01 -0.61 -1.12 121.20 115.02 1q8p s ILE 147 Ca 0.07 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 1q8p s ILE 147 Cb -0.03 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 1q8p s ILE 147 CO -0.02 0.55 -0.03 -0.83 0.00 0.00 0.00 174.94 174.60 1q8p s GLY 148 N -0.15 0.39 -0.24 6.18 0.00 -0.15 -1.31 107.32 112.05 1q8p s GLY 148 Ca 0.02 -0.98 -0.07 0.00 0.00 0.00 0.00 44.72 43.68 1q8p s GLY 148 CO 0.03 -1.07 0.07 -0.42 0.00 0.00 0.00 173.10 171.70 1q8p s ILE 149 N -2.97 4.33 -0.20 0.90 1.01 -0.29 -0.54 121.20 123.45 1q8p s ILE 149 Ca -0.02 -0.17 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 1q8p s ILE 149 Cb 0.01 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 1q8p s ILE 149 CO -0.06 0.36 0.00 -1.81 0.00 0.00 0.00 174.94 173.42 1q8p s ASP 150 N 1.46 4.83 -0.34 3.58 -0.00 0.16 -1.19 116.67 125.16 1q8p s ASP 150 Ca 0.06 -0.20 0.02 0.00 -0.00 0.00 0.00 52.55 52.42 1q8p s ASP 150 Cb -0.15 -1.83 0.10 0.00 -0.00 0.00 0.00 42.92 41.05 1q8p s ASP 150 CO 0.03 0.06 0.08 -0.69 -0.00 0.00 0.00 175.17 174.65 1q8p s VAL 151 N 1.02 1.79 -2.17 -1.27 1.01 -1.26 -0.53 120.40 118.98 1q8p s VAL 151 Ca 0.02 -2.06 0.00 0.00 0.00 0.00 0.00 61.98 59.94 1q8p s VAL 151 Cb -0.14 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.91 1q8p s VAL 151 CO 0.02 -0.64 0.00 0.59 0.00 0.00 0.00 175.10 175.07 1q8p n ASN 152 N 4.41 -5.48 -3.54 3.32 3.02 0.06 -4.93 115.26 112.11 1q8p n ASN 152 Ca 0.02 0.50 -0.17 0.00 -0.03 0.00 0.00 54.58 54.90 1q8p n ASN 152 Cb 0.42 -4.78 -0.06 0.00 -0.61 0.00 0.00 39.78 34.74 1q8p n ASN 152 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1q8p s SER 153 N -2.77 -0.65 0.18 6.41 0.15 -1.26 -3.68 113.70 112.08 1q8p s SER 153 Ca 0.00 0.81 0.25 0.00 0.70 0.00 0.00 55.95 57.71 1q8p s SER 153 Cb 0.00 0.67 0.90 0.00 -1.71 0.00 0.00 66.02 65.88 1q8p s SER 153 CO 0.00 -0.53 1.76 0.00 1.20 0.00 0.00 173.24 175.66 1q8p n ILE 154 N 1.18 0.62 -2.92 6.45 0.13 -0.33 -4.39 119.36 120.10 1q8p n ILE 154 Ca -0.18 -0.06 -0.43 0.00 -1.10 0.00 0.00 62.75 60.98 1q8p n ILE 154 Cb 0.57 -0.78 -0.04 0.00 -0.84 0.00 0.00 39.64 38.55 1q8p n ILE 154 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 1q8p s ARG 155 N -3.15 3.14 0.27 9.51 3.52 -1.26 -4.92 118.95 126.07 1q8p s ARG 155 Ca 0.09 -0.80 -0.29 0.00 -0.13 0.00 0.00 55.73 54.59 1q8p s ARG 155 Cb 0.12 -4.19 -0.14 0.00 -1.56 0.00 0.00 34.95 29.18 1q8p s ARG 155 CO 0.50 -1.66 1.11 0.43 -0.81 0.00 0.00 175.30 174.88 1q8p n SER 156 N 7.31 1.66 0.20 -2.12 7.64 -1.26 -4.81 113.62 122.24 1q8p n SER 156 Ca -0.04 1.17 0.13 0.00 1.01 0.00 0.00 58.87 61.14 1q8p n SER 156 Cb 0.45 -1.32 0.33 0.00 -1.01 0.00 0.00 64.21 62.66 1q8p n SER 156 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1q8p h VAL 157 N 2.28 0.00 -2.23 0.44 -1.51 -1.50 -3.45 116.25 110.28 1q8p h VAL 157 Ca -0.42 -0.75 -0.05 0.00 -1.23 0.00 0.00 66.70 64.25 1q8p h VAL 157 Cb 1.33 1.73 -0.22 0.00 -2.13 0.00 0.00 31.29 32.00 1q8p h VAL 157 CO 0.64 0.00 -0.02 -0.75 -1.23 0.00 0.00 177.57 176.21 1q8p s LYS 158 N -3.26 0.69 0.08 5.19 2.47 -1.24 -5.02 119.74 118.65 1q8p s LYS 158 Ca 0.07 0.93 -0.01 0.00 -1.56 0.00 0.00 55.97 55.41 1q8p s LYS 158 Cb 0.08 0.27 -0.04 0.00 -1.46 0.00 0.00 37.83 36.68 1q8p s LYS 158 CO 0.61 -0.11 -0.01 0.95 0.16 0.00 0.00 175.35 176.96 1q8p s THR 159 N 0.71 0.27 -0.01 3.43 -4.23 -1.26 -1.14 115.64 113.41 1q8p s THR 159 Ca -0.03 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 1q8p s THR 159 Cb -0.05 -1.69 0.01 0.00 1.34 0.00 0.00 72.50 72.10 1q8p s THR 159 CO -0.05 -0.83 -0.00 0.54 -0.54 0.00 0.00 174.62 173.74 1q8p s VAL 160 N -3.90 0.09 0.36 2.29 0.11 -0.42 -4.98 120.40 113.94 1q8p s VAL 160 Ca 0.13 0.01 -0.28 0.00 -2.93 0.00 0.00 61.98 58.90 1q8p s VAL 160 Cb 0.07 -0.11 -0.11 0.00 -1.53 0.00 0.00 36.38 34.70 1q8p s VAL 160 CO -0.06 0.05 1.49 -0.75 -3.33 0.00 0.00 175.10 172.51 1q8p s LYS 161 N 0.28 4.12 0.10 1.54 2.20 -1.26 -1.57 119.74 125.15 1q8p s LYS 161 Ca -0.02 2.55 0.03 0.00 -0.36 0.00 0.00 55.97 58.17 1q8p s LYS 161 Cb -0.04 -2.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.26 1q8p s LYS 161 CO -0.01 -0.53 -0.09 -0.46 -0.36 0.00 0.00 175.35 173.90 1q8p s TRP 162 N -0.94 1.01 -0.20 4.03 -0.00 -0.63 -4.79 118.94 117.41 1q8p s TRP 162 Ca 0.54 -0.71 -0.03 0.00 -0.00 0.00 0.00 56.10 55.90 1q8p s TRP 162 Cb -0.46 -0.56 -0.01 0.00 -0.00 0.00 0.00 33.47 32.44 1q8p s TRP 162 CO 0.60 -0.03 -0.07 -0.51 -0.00 0.00 0.00 176.95 176.94 1q8p s ASP 163 N -2.59 4.17 -0.03 5.86 1.01 -1.26 -4.41 116.67 119.42 1q8p s ASP 163 Ca 0.07 -0.39 -0.27 0.00 0.71 0.00 0.00 52.55 52.66 1q8p s ASP 163 Cb -0.01 -1.70 -0.03 0.00 1.01 0.00 0.00 42.92 42.19 1q8p s ASP 163 CO -0.01 0.02 0.87 -0.60 0.21 0.00 0.00 175.17 175.66 1q8p s ARG 164 N 1.22 4.51 -0.26 8.23 3.52 -1.26 -5.03 118.95 129.88 1q8p s ARG 164 Ca 0.02 1.21 0.01 0.00 -0.13 0.00 0.00 55.73 56.84 1q8p s ARG 164 Cb -0.14 -3.46 0.07 0.00 -1.56 0.00 0.00 34.95 29.86 1q8p s ARG 164 CO -0.02 -0.01 -0.02 1.03 -0.81 0.00 0.00 175.30 175.47 1q8p s ARG 165 N 0.94 1.51 0.05 5.12 0.52 -1.26 -5.09 118.95 120.74 1q8p s ARG 165 Ca 0.46 -1.17 -0.35 0.00 -0.52 0.00 0.00 55.73 54.16 1q8p s ARG 165 Cb -0.20 -2.63 -0.14 0.00 0.52 0.00 0.00 34.95 32.51 1q8p s ARG 165 CO 0.24 -0.70 1.62 -3.47 0.02 0.00 0.00 175.30 173.01 1q8p n ASP 166 N 4.61 2.87 0.00 0.23 2.03 -1.26 -2.09 116.55 122.94 1q8p n ASP 166 Ca -0.08 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.29 1q8p n ASP 166 Cb 0.43 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 1q8p n ASP 166 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1q8p n GLY 167 N 3.56 1.34 3.76 0.27 0.00 0.14 -4.99 105.19 109.26 1q8p n GLY 167 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1q8p n GLY 167 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q8p s GLN 168 N -0.14 4.08 0.16 1.61 -0.21 -0.89 -4.90 119.66 119.37 1q8p s GLN 168 Ca 0.00 -0.11 -0.30 0.00 0.02 0.00 0.00 55.36 54.97 1q8p s GLN 168 Cb 0.00 -3.38 -0.07 0.00 1.00 0.00 0.00 33.01 30.56 1q8p s GLN 168 CO 0.00 0.37 1.16 -1.12 -2.12 0.00 0.00 175.29 173.58 1q8p s SER 169 N 0.13 7.15 -0.19 5.90 0.01 -1.26 -4.50 113.70 120.94 1q8p s SER 169 Ca 0.12 2.15 -0.05 0.00 1.31 0.00 0.00 55.95 59.47 1q8p s SER 169 Cb -0.12 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.48 1q8p s SER 169 CO 0.01 -0.33 0.01 -0.22 0.41 0.00 0.00 173.24 173.11 1q8p s LEU 170 N -0.10 3.36 -0.17 2.44 2.96 -0.13 -4.35 118.68 122.69 1q8p s LEU 170 Ca 0.52 -0.14 -0.15 0.00 -0.22 0.00 0.00 54.13 54.15 1q8p s LEU 170 Cb -0.31 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1q8p s LEU 170 CO 0.35 0.10 0.34 0.20 -1.32 0.00 0.00 176.35 176.02 1q8p s ASN 171 N 0.79 6.45 -0.01 3.68 0.01 -0.09 -2.40 114.94 123.37 1q8p s ASN 171 Ca 0.01 0.53 0.06 0.00 -0.71 0.00 0.00 52.86 52.74 1q8p s ASN 171 Cb -0.14 -2.21 -0.01 0.00 0.41 0.00 0.00 41.25 39.30 1q8p s ASN 171 CO 0.02 0.02 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.76 1q8p s VAL 172 N 0.81 1.48 -0.13 1.60 1.01 0.82 -0.38 120.40 125.60 1q8p s VAL 172 Ca 0.18 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1q8p s VAL 172 Cb -0.14 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.03 1q8p s VAL 172 CO 0.06 0.41 -0.11 -0.22 0.00 0.00 0.00 175.10 175.24 1q8p s LEU 173 N -0.46 1.47 -0.15 3.92 2.96 0.31 -1.34 118.68 125.39 1q8p s LEU 173 Ca 0.07 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 1q8p s LEU 173 Cb -0.07 -1.03 -0.00 0.00 0.50 0.00 0.00 46.19 45.58 1q8p s LEU 173 CO -0.01 -0.08 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.11 1q8p s VAL 174 N 1.57 2.76 -0.01 1.68 1.01 0.37 -1.17 120.40 126.61 1q8p s VAL 174 Ca 0.05 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.31 1q8p s VAL 174 Cb -0.13 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 1q8p s VAL 174 CO -0.09 0.51 -0.10 -0.89 0.00 0.00 0.00 175.10 174.53 1q8p s THR 175 N 0.72 0.77 -0.13 3.92 2.01 0.05 -0.38 115.64 122.61 1q8p s THR 175 Ca -0.06 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.54 1q8p s THR 175 Cb -0.15 -0.65 0.01 0.00 0.01 0.00 0.00 72.50 71.72 1q8p s THR 175 CO 0.01 0.22 -0.19 0.12 -0.69 0.00 0.00 174.62 174.10 1q8p s PHE 176 N -0.20 2.35 -0.32 4.92 5.36 -0.29 -0.17 117.98 129.63 1q8p s PHE 176 Ca 0.03 -1.16 -0.06 0.00 -0.96 0.00 0.00 56.93 54.78 1q8p s PHE 176 Cb -0.04 -1.64 0.03 0.00 -0.34 0.00 0.00 43.02 41.03 1q8p s PHE 176 CO -0.00 -0.55 0.09 1.21 -1.46 0.00 0.00 175.22 174.51 1q8p s ASN 177 N 0.90 5.23 0.53 6.13 3.84 -0.78 -2.48 114.94 128.30 1q8p s ASN 177 Ca -0.07 -1.00 0.27 0.00 0.21 0.00 0.00 52.86 52.27 1q8p s ASN 177 Cb -0.15 -1.87 1.47 0.00 -0.55 0.00 0.00 41.25 40.15 1q8p s ASN 177 CO -0.02 -0.28 2.08 1.55 -2.79 0.00 0.00 177.10 177.65 1q8p h PRO 178 N 8.22 0.00 -0.46 0.43 0.13 -1.89 0.69 132.00 139.11 1q8p h PRO 178 Ca -0.26 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.75 1q8p h PRO 178 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1q8p h PRO 178 CO 0.60 0.11 -0.17 1.03 -0.23 0.00 0.00 178.00 179.34 1q8p h SER 179 N 0.00 0.95 0.00 1.44 0.87 -1.94 -3.28 113.55 111.59 1q8p h SER 179 Ca -0.00 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1q8p h SER 179 Cb 0.31 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1q8p h SER 179 CO 0.01 1.12 -1.13 0.35 -0.53 0.00 0.00 176.83 176.65 1q8p n THR 180 N -4.18 0.00 -1.34 2.23 -2.24 -1.12 -4.98 114.28 102.64 1q8p n THR 180 Ca -0.00 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.43 1q8p n THR 180 Cb 0.43 0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 69.26 1q8p n THR 180 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1q8p n ARG 181 N -1.64 -0.95 -3.16 -0.78 1.74 0.24 -4.88 116.66 107.23 1q8p n ARG 181 Ca 0.01 0.90 -0.39 0.00 -0.77 0.00 0.00 57.85 57.60 1q8p n ARG 181 Cb 0.31 -4.95 -0.05 0.00 -1.02 0.00 0.00 32.46 26.75 1q8p n ARG 181 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1q8p s ASN 182 N -2.78 6.89 -0.35 0.55 0.01 -1.16 -0.70 114.94 117.40 1q8p s ASN 182 Ca 0.00 1.06 -0.11 0.00 -0.71 0.00 0.00 52.86 53.11 1q8p s ASN 182 Cb 0.00 -2.36 0.01 0.00 0.41 0.00 0.00 41.25 39.31 1q8p s ASN 182 CO 0.00 -0.04 0.19 -0.22 -1.51 0.00 0.00 177.10 175.51 1q8p s LEU 183 N 0.59 4.50 -0.08 0.60 2.96 0.25 -1.88 118.68 125.63 1q8p s LEU 183 Ca 0.33 -0.82 -0.00 0.00 -0.22 0.00 0.00 54.13 53.41 1q8p s LEU 183 Cb -0.17 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 1q8p s LEU 183 CO 0.15 -0.32 -0.04 -1.81 -1.32 0.00 0.00 176.35 173.01 1q8p s ASP 184 N 1.58 4.85 -0.09 3.68 1.01 0.76 -1.71 116.67 126.75 1q8p s ASP 184 Ca 0.03 0.03 0.02 0.00 0.71 0.00 0.00 52.55 53.34 1q8p s ASP 184 Cb -0.18 -1.29 0.01 0.00 1.01 0.00 0.00 42.92 42.47 1q8p s ASP 184 CO 0.07 0.36 -0.15 -0.69 0.21 0.00 0.00 175.17 174.96 1q8p s VAL 185 N -0.79 1.45 -0.11 -1.27 1.01 0.13 -0.77 120.40 120.05 1q8p s VAL 185 Ca 0.12 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 1q8p s VAL 185 Cb -0.11 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 34.98 1q8p s VAL 185 CO 0.02 0.43 -0.08 -0.69 0.00 0.00 0.00 175.10 174.77 1q8p s VAL 186 N 0.81 1.05 -0.02 2.92 1.01 -0.32 -1.91 120.40 123.94 1q8p s VAL 186 Ca -0.11 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.61 1q8p s VAL 186 Cb -0.16 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1q8p s VAL 186 CO 0.02 0.37 -0.20 0.00 0.00 0.00 0.00 175.10 175.28 1q8p s ALA 187 N 1.56 1.68 -0.02 5.51 0.00 -0.28 -0.53 121.76 129.68 1q8p s ALA 187 Ca 0.02 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 51.10 1q8p s ALA 187 Cb -0.13 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1q8p s ALA 187 CO -0.07 0.38 0.10 0.95 0.00 0.00 0.00 175.76 177.13 1q8p s THR 188 N -0.34 0.04 0.40 0.00 -4.23 0.48 -0.43 115.64 111.56 1q8p s THR 188 Ca 0.05 -0.31 0.01 0.00 -1.18 0.00 0.00 61.69 60.26 1q8p s THR 188 Cb -0.09 -0.26 -0.01 0.00 1.34 0.00 0.00 72.50 73.48 1q8p s THR 188 CO 0.00 -0.17 0.61 -0.31 -0.54 0.00 0.00 174.62 174.22 1q8p s TYR 189 N -0.53 3.31 0.55 3.99 1.51 -0.41 -0.91 117.35 124.87 1q8p s TYR 189 Ca -0.06 0.24 0.27 0.00 -1.01 0.00 0.00 57.07 56.51 1q8p s TYR 189 Cb -0.04 -2.14 1.47 0.00 -0.11 0.00 0.00 41.96 41.14 1q8p s TYR 189 CO 0.00 -0.16 2.00 0.66 -1.11 0.00 0.00 175.55 176.94 1q8p h SER 190 N 0.56 0.00 -0.00 2.29 4.64 -1.90 -0.39 113.55 118.75 1q8p h SER 190 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1q8p h SER 190 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1q8p h SER 190 CO 0.58 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.64 1q8p n ASP 191 N -4.12 0.09 0.00 4.97 5.68 -1.26 -4.88 116.55 117.04 1q8p n ASP 191 Ca 0.08 -1.07 0.00 0.00 -0.50 0.00 0.00 54.79 53.30 1q8p n ASP 191 Cb 0.55 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 1q8p n ASP 191 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1q8p n GLY 192 N 0.99 0.27 3.68 6.12 0.00 -0.16 -5.04 105.19 111.06 1q8p n GLY 192 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1q8p n GLY 192 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q8p s THR 193 N -2.03 2.77 0.01 2.61 2.01 -1.25 -4.80 115.64 114.96 1q8p s THR 193 Ca 0.00 0.16 0.09 0.00 0.31 0.00 0.00 61.69 62.25 1q8p s THR 193 Cb 0.00 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 1q8p s THR 193 CO 0.00 -0.00 -0.26 -0.60 -0.69 0.00 0.00 174.62 173.07 1q8p s ARG 194 N 3.08 1.97 -0.03 4.92 3.52 -1.26 -1.29 118.95 129.87 1q8p s ARG 194 Ca 0.80 -1.01 0.04 0.00 -0.13 0.00 0.00 55.73 55.43 1q8p s ARG 194 Cb -0.44 -2.02 -0.01 0.00 -1.56 0.00 0.00 34.95 30.93 1q8p s ARG 194 CO 0.36 0.54 -0.15 0.71 -0.81 0.00 0.00 175.30 175.95 1q8p s TYR 195 N -0.71 1.46 -0.00 5.12 1.51 0.42 -4.99 117.35 120.16 1q8p s TYR 195 Ca 0.11 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.83 1q8p s TYR 195 Cb -0.10 -0.98 -0.01 0.00 -0.11 0.00 0.00 41.96 40.77 1q8p s TYR 195 CO 0.01 -0.10 -0.07 -1.21 -1.11 0.00 0.00 175.55 173.07 1q8p s GLU 196 N -0.08 0.54 -0.18 -0.62 2.02 -1.26 -1.12 118.70 117.99 1q8p s GLU 196 Ca -0.00 -0.28 -0.16 0.00 0.02 0.00 0.00 54.97 54.55 1q8p s GLU 196 Cb -0.09 -0.51 0.05 0.00 0.10 0.00 0.00 34.13 33.68 1q8p s GLU 196 CO 0.01 0.14 0.48 0.54 0.02 0.00 0.00 175.26 176.45 1q8p s VAL 197 N -0.24 -0.00 0.06 2.63 0.11 -0.80 -4.90 120.40 117.26 1q8p s VAL 197 Ca 0.02 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.03 1q8p s VAL 197 Cb -0.03 -0.67 -0.02 0.00 -1.53 0.00 0.00 36.38 34.12 1q8p s VAL 197 CO -0.00 0.00 0.07 -0.94 -3.33 0.00 0.00 175.10 170.90 1q8p s SER 198 N 0.40 0.32 -0.19 3.54 1.04 -1.26 -0.69 113.70 116.86 1q8p s SER 198 Ca -0.01 -0.83 -0.23 0.00 0.48 0.00 0.00 55.95 55.36 1q8p s SER 198 Cb -0.04 0.26 0.06 0.00 0.10 0.00 0.00 66.02 66.40 1q8p s SER 198 CO -0.01 -0.64 0.61 -0.47 0.98 0.00 0.00 173.24 173.71 1q8p s TYR 199 N -3.79 -0.65 -0.19 5.02 6.14 -0.69 -4.98 117.35 118.20 1q8p s TYR 199 Ca 0.05 1.48 -0.19 0.00 0.64 0.00 0.00 57.07 59.05 1q8p s TYR 199 Cb 0.06 0.26 -0.03 0.00 0.42 0.00 0.00 41.96 42.67 1q8p s TYR 199 CO -0.10 -0.38 0.56 -2.00 0.64 0.00 0.00 175.55 174.27 1q8p s GLU 200 N -0.04 4.21 -0.11 4.97 2.12 -1.26 -0.59 118.70 128.00 1q8p s GLU 200 Ca -0.03 0.51 -0.09 0.00 0.36 0.00 0.00 54.97 55.72 1q8p s GLU 200 Cb -0.04 -3.56 0.03 0.00 0.26 0.00 0.00 34.13 30.83 1q8p s GLU 200 CO 0.03 -0.16 0.28 0.54 -0.54 0.00 0.00 175.26 175.40 1q8p s VAL 201 N 1.67 -0.01 -0.58 3.70 0.11 0.13 -4.99 120.40 120.43 1q8p s VAL 201 Ca 0.26 0.03 -0.20 0.00 -2.93 0.00 0.00 61.98 59.14 1q8p s VAL 201 Cb -0.16 -0.40 0.08 0.00 -1.53 0.00 0.00 36.38 34.37 1q8p s VAL 201 CO 0.10 0.01 0.74 -0.62 -3.33 0.00 0.00 175.10 172.01 1q8p s ASP 202 N 0.42 6.20 0.57 3.54 -1.08 -1.26 -4.73 116.67 120.32 1q8p s ASP 202 Ca -0.02 -1.12 0.25 0.00 -0.52 0.00 0.00 52.55 51.14 1q8p s ASP 202 Cb -0.04 -2.33 1.62 0.00 -1.46 0.00 0.00 42.92 40.71 1q8p s ASP 202 CO -0.02 -1.12 2.21 -0.37 0.52 0.00 0.00 175.17 176.39 1q8p h VAL 203 N 5.92 0.69 0.00 1.11 -1.51 -1.97 -2.45 116.25 118.05 1q8p h VAL 203 Ca -0.29 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.17 1q8p h VAL 203 Cb 1.09 0.99 -0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1q8p h VAL 203 CO 1.07 0.00 -0.06 0.03 -1.23 0.00 0.00 177.57 177.38 1q8p h ARG 204 N 0.00 0.00 -0.01 5.19 3.08 -1.91 -0.64 114.38 120.09 1q8p h ARG 204 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1q8p h ARG 204 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1q8p h ARG 204 CO -0.00 0.06 -0.15 -1.13 -1.07 0.00 0.00 179.97 177.68 1q8p n SER 205 N -4.35 1.60 -0.05 7.04 3.41 -0.92 -4.38 113.62 115.96 1q8p n SER 205 Ca -0.03 -1.35 -0.07 0.00 -0.26 0.00 0.00 58.87 57.15 1q8p n SER 205 Cb 0.14 0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.15 1q8p n SER 205 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1q8p n VAL 206 N 0.02 0.60 -4.43 -3.33 0.31 -0.77 -5.07 118.33 105.66 1q8p n VAL 206 Ca 0.15 -0.23 -0.24 0.00 -0.01 0.00 0.00 64.34 64.01 1q8p n VAL 206 Cb 0.40 -0.90 -0.11 0.00 -0.91 0.00 0.00 33.84 32.32 1q8p n VAL 206 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1q8p s LEU 207 N -5.66 2.52 1.04 7.52 1.43 -0.32 -4.60 118.68 120.62 1q8p s LEU 207 Ca -0.14 -0.95 -0.14 0.00 -1.03 0.00 0.00 54.13 51.86 1q8p s LEU 207 Cb 0.04 -1.05 0.21 0.00 0.03 0.00 0.00 46.19 45.42 1q8p s LEU 207 CO 0.24 0.04 1.11 -2.16 0.23 0.00 0.00 176.35 175.81 1q8p s PRO 208 N -3.15 0.09 0.29 1.29 0.04 -1.26 -4.64 135.00 127.66 1q8p s PRO 208 Ca 0.24 0.29 -0.02 0.00 0.04 0.00 0.00 61.00 61.55 1q8p s PRO 208 Cb -0.06 -1.72 0.42 0.00 0.04 0.00 0.00 34.50 33.18 1q8p s PRO 208 CO 0.11 -2.91 1.89 0.93 0.04 0.00 0.00 177.00 177.07 1q8p h GLU 209 N -2.01 0.96 -5.85 4.56 5.08 -1.95 -3.42 114.58 111.95 1q8p h GLU 209 Ca -0.52 -0.12 -0.67 0.00 -1.00 0.00 0.00 59.36 57.05 1q8p h GLU 209 Cb 1.32 -0.18 -0.22 0.00 0.50 0.00 0.00 28.75 30.17 1q8p h GLU 209 CO 0.52 0.74 -0.72 -1.58 -1.00 0.00 0.00 179.01 176.97 1q8p s TRP 210 N -5.56 2.87 0.29 4.33 0.52 -1.26 -0.60 118.94 119.53 1q8p s TRP 210 Ca -0.11 -0.23 0.04 0.00 0.02 0.00 0.00 56.10 55.82 1q8p s TRP 210 Cb 0.17 -1.77 -0.03 0.00 -1.15 0.00 0.00 33.47 30.69 1q8p s TRP 210 CO 0.80 0.11 0.25 0.14 0.02 0.00 0.00 176.95 178.27 1q8p s VAL 211 N -0.32 0.00 0.09 4.03 -7.23 -0.33 -4.32 120.40 112.32 1q8p s VAL 211 Ca 0.04 -1.96 0.07 0.00 -1.81 0.00 0.00 61.98 58.32 1q8p s VAL 211 Cb -0.13 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 1q8p s VAL 211 CO 0.02 0.00 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.49 1q8p s ARG 212 N -3.62 1.08 0.15 4.82 0.52 -0.03 -0.29 118.95 121.59 1q8p s ARG 212 Ca 0.39 -1.09 0.11 0.00 -0.52 0.00 0.00 55.73 54.62 1q8p s ARG 212 Cb 0.03 -1.27 -0.04 0.00 0.52 0.00 0.00 34.95 34.19 1q8p s ARG 212 CO 0.23 0.30 -0.24 0.14 0.02 0.00 0.00 175.30 175.75 1q8p s VAL 213 N -1.14 2.42 0.00 3.52 -7.23 -1.26 -1.84 120.40 114.87 1q8p s VAL 213 Ca 0.05 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 1q8p s VAL 213 Cb -0.10 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.73 1q8p s VAL 213 CO 0.04 0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 1q8p n GLY 214 N 0.62 0.82 3.13 2.32 0.00 -0.64 -1.66 105.19 109.78 1q8p n GLY 214 Ca -0.15 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 1q8p n GLY 214 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q8p s PHE 215 N -1.92 0.90 0.02 1.61 0.40 -0.29 -0.99 117.98 117.70 1q8p s PHE 215 Ca 0.00 -0.60 -0.01 0.00 -0.60 0.00 0.00 56.93 55.72 1q8p s PHE 215 Cb 0.00 -0.52 -0.02 0.00 0.51 0.00 0.00 43.02 43.00 1q8p s PHE 215 CO 0.00 -0.05 -0.00 0.45 0.70 0.00 0.00 175.22 176.32 1q8p s SER 216 N -2.08 0.19 0.06 1.36 0.15 -0.08 -1.43 113.70 111.87 1q8p s SER 216 Ca -0.01 -0.41 -0.20 0.00 0.70 0.00 0.00 55.95 56.02 1q8p s SER 216 Cb -0.06 0.11 0.05 0.00 -1.71 0.00 0.00 66.02 64.41 1q8p s SER 216 CO -0.00 -0.28 0.48 0.00 1.20 0.00 0.00 173.24 174.63 1q8p s ALA 217 N -1.32 -1.20 0.12 5.45 0.00 -0.64 -0.46 121.76 123.72 1q8p s ALA 217 Ca -0.14 0.42 -0.20 0.00 0.00 0.00 0.00 51.96 52.04 1q8p s ALA 217 Cb -0.09 0.44 0.05 0.00 0.00 0.00 0.00 23.12 23.52 1q8p s ALA 217 CO -0.01 -0.52 0.49 0.00 0.00 0.00 0.00 175.76 175.72 1q8p s ALA 218 N -2.71 -1.24 -0.03 0.00 0.00 -1.17 -1.86 121.76 114.75 1q8p s ALA 218 Ca -0.04 0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.18 1q8p s ALA 218 Cb -0.00 0.70 0.03 0.00 0.00 0.00 0.00 23.12 23.85 1q8p s ALA 218 CO -0.04 -0.66 0.03 -1.12 0.00 0.00 0.00 175.76 173.97 1q8p s SER 219 N -2.63 0.54 0.00 0.00 0.01 -0.12 -0.25 113.70 111.25 1q8p s SER 219 Ca 0.01 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1q8p s SER 219 Cb 0.00 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.09 1q8p s SER 219 CO -0.10 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 173.99 1q8p n GLY 220 N 4.56 0.61 0.15 3.44 0.00 -1.26 -1.33 105.19 111.36 1q8p n GLY 220 Ca -0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.89 1q8p n GLY 220 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1q8p h GLU 221 N 0.00 0.00 -6.01 1.61 5.08 -1.97 0.58 114.58 113.86 1q8p h GLU 221 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 1q8p h GLU 221 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1q8p h GLU 221 CO 0.00 0.26 -0.52 -0.65 -1.00 0.00 0.00 179.01 177.11 1q8p s GLN 222 N -3.08 3.29 0.15 2.33 -1.52 -1.26 -4.88 119.66 114.69 1q8p s GLN 222 Ca 0.03 -0.56 -0.04 0.00 -1.95 0.00 0.00 55.36 52.84 1q8p s GLN 222 Cb 0.07 -2.93 -0.03 0.00 -0.22 0.00 0.00 33.01 29.90 1q8p s GLN 222 CO 0.74 0.57 0.15 1.52 -0.25 0.00 0.00 175.29 178.03 1q8p s TYR 223 N -1.56 0.69 -0.15 0.91 1.13 -1.25 -4.21 117.35 112.91 1q8p s TYR 223 Ca 0.34 -1.06 -0.33 0.00 -1.41 0.00 0.00 57.07 54.61 1q8p s TYR 223 Cb -0.12 -0.31 0.13 0.00 -1.10 0.00 0.00 41.96 40.56 1q8p s TYR 223 CO 0.27 -0.61 1.13 1.14 -2.51 0.00 0.00 175.55 174.97 1q8p s GLN 224 N -4.02 0.43 0.43 -3.49 -2.07 -1.11 -3.72 119.66 106.11 1q8p s GLN 224 Ca 0.22 -0.12 -0.18 0.00 -1.82 0.00 0.00 55.36 53.46 1q8p s GLN 224 Cb 0.06 0.20 -0.10 0.00 -1.09 0.00 0.00 33.01 32.08 1q8p s GLN 224 CO 0.02 -0.18 0.91 0.95 -1.32 0.00 0.00 175.29 175.67 1q8p s THR 225 N -2.36 4.49 -0.46 3.63 -4.23 0.20 -4.86 115.64 112.06 1q8p s THR 225 Ca 0.07 1.29 0.03 0.00 -1.18 0.00 0.00 61.69 61.90 1q8p s THR 225 Cb -0.01 -3.64 0.13 0.00 1.34 0.00 0.00 72.50 70.33 1q8p s THR 225 CO -0.05 -0.39 0.24 -1.00 -0.54 0.00 0.00 174.62 172.87 1q8p s HIS 226 N -2.26 2.40 -0.35 3.99 0.09 -1.26 -3.31 115.29 114.59 1q8p s HIS 226 Ca 0.59 -2.66 -0.15 0.00 -0.00 0.00 0.00 55.06 52.85 1q8p s HIS 226 Cb -0.09 -2.21 -0.01 0.00 -0.00 0.00 0.00 32.58 30.27 1q8p s HIS 226 CO 0.19 -0.77 0.32 0.99 -0.00 0.00 0.00 174.74 175.47 1q8p s THR 227 N 0.19 5.21 -0.32 1.30 2.01 -0.69 -1.89 115.64 121.44 1q8p s THR 227 Ca 0.17 -0.11 -0.20 0.00 0.31 0.00 0.00 61.69 61.87 1q8p s THR 227 Cb -0.25 -3.81 -0.01 0.00 0.01 0.00 0.00 72.50 68.45 1q8p s THR 227 CO -0.00 -0.10 0.60 -0.22 -0.69 0.00 0.00 174.62 174.21 1q8p s LEU 228 N 1.91 4.18 -0.13 4.42 2.96 0.11 -1.32 118.68 130.81 1q8p s LEU 228 Ca 0.10 0.32 0.07 0.00 -0.22 0.00 0.00 54.13 54.39 1q8p s LEU 228 Cb -0.17 -2.77 -0.23 0.00 0.50 0.00 0.00 46.19 43.52 1q8p s LEU 228 CO 0.11 -0.48 0.32 -0.62 -1.32 0.00 0.00 176.35 174.36 1q8p n GLU 229 N 5.86 0.68 -3.54 1.98 1.02 -0.15 -1.12 120.64 125.38 1q8p n GLU 229 Ca -0.02 0.20 -0.12 0.00 -0.02 0.00 0.00 57.16 57.21 1q8p n GLU 229 Cb 0.49 -1.67 -0.04 0.00 -0.02 0.00 0.00 31.44 30.20 1q8p n GLU 229 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1q8p s SER 230 N -6.30 -0.40 -0.28 1.62 1.04 -1.21 -4.25 113.70 103.91 1q8p s SER 230 Ca -0.15 -0.11 -0.17 0.00 0.48 0.00 0.00 55.95 56.00 1q8p s SER 230 Cb 0.07 0.52 0.10 0.00 0.10 0.00 0.00 66.02 66.82 1q8p s SER 230 CO 0.78 -0.87 0.81 0.86 0.98 0.00 0.00 173.24 175.79 1q8p s TRP 231 N -3.53 -0.85 0.03 5.02 -0.00 -0.32 -2.46 118.94 116.82 1q8p s TRP 231 Ca 0.01 1.74 0.03 0.00 -0.00 0.00 0.00 56.10 57.88 1q8p s TRP 231 Cb 0.00 0.50 -0.02 0.00 -0.00 0.00 0.00 33.47 33.96 1q8p s TRP 231 CO -0.10 -0.42 -0.10 -1.54 -0.00 0.00 0.00 176.95 174.79 1q8p s SER 232 N 1.39 1.11 -0.04 5.86 1.04 0.47 0.71 113.70 124.24 1q8p s SER 232 Ca -0.08 -0.38 -0.07 0.00 0.48 0.00 0.00 55.95 55.90 1q8p s SER 232 Cb -0.05 -0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.03 1q8p s SER 232 CO -0.16 -0.03 0.18 0.12 0.98 0.00 0.00 173.24 174.33 1q8p s PHE 233 N -0.79 -0.12 -0.12 5.02 2.19 -0.28 -0.92 117.98 122.96 1q8p s PHE 233 Ca -0.02 0.26 -0.11 0.00 0.33 0.00 0.00 56.93 57.39 1q8p s PHE 233 Cb -0.07 0.03 0.03 0.00 -1.31 0.00 0.00 43.02 41.70 1q8p s PHE 233 CO 0.00 -0.19 0.33 -0.08 1.83 0.00 0.00 175.22 177.11 1q8p s THR 234 N -0.53 0.00 -0.04 0.12 -1.32 -0.72 -1.24 115.64 111.91 1q8p s THR 234 Ca -0.06 -0.01 -0.07 0.00 -1.21 0.00 0.00 61.69 60.34 1q8p s THR 234 Cb -0.04 -0.46 0.01 0.00 -1.51 0.00 0.00 72.50 70.50 1q8p s THR 234 CO 0.01 -0.01 0.17 -0.94 -2.21 0.00 0.00 174.62 171.64 1q8p s SER 235 N 0.14 -0.12 -0.05 8.08 1.04 -0.30 -1.18 113.70 121.31 1q8p s SER 235 Ca -0.00 0.18 -0.02 0.00 0.48 0.00 0.00 55.95 56.59 1q8p s SER 235 Cb -0.02 0.32 0.04 0.00 0.10 0.00 0.00 66.02 66.45 1q8p s SER 235 CO 0.01 -0.17 0.10 -0.89 0.98 0.00 0.00 173.24 173.26 1q8p s THR 236 N -0.40 -0.09 0.04 2.02 2.01 -0.84 -1.61 115.64 116.77 1q8p s THR 236 Ca -0.05 0.25 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 1q8p s THR 236 Cb -0.03 -0.18 -0.06 0.00 0.01 0.00 0.00 72.50 72.24 1q8p s THR 236 CO 0.01 0.10 1.32 -0.76 -0.69 0.00 0.00 174.62 174.60 1q8p s LEU 237 N 1.42 4.34 0.15 4.42 1.43 -0.08 -1.56 118.68 128.80 1q8p s LEU 237 Ca -0.06 2.10 0.06 0.00 -1.03 0.00 0.00 54.13 55.20 1q8p s LEU 237 Cb -0.12 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 1q8p s LEU 237 CO -0.05 -0.62 -0.13 -0.76 0.23 0.00 0.00 176.35 175.02 1q8p s LEU 238 N 1.73 2.48 -0.09 1.79 1.43 -0.71 -4.92 118.68 120.39 1q8p s LEU 238 Ca 0.62 -0.93 -0.17 0.00 -1.03 0.00 0.00 54.13 52.62 1q8p s LEU 238 Cb -0.31 -0.52 -0.05 0.00 0.03 0.00 0.00 46.19 45.34 1q8p s LEU 238 CO 0.27 -0.21 0.45 -0.31 0.23 0.00 0.00 176.35 176.79 1q8p s TYR 239 N -2.72 3.56 0.00 0.29 2.02 -1.26 -2.01 117.35 117.24 1q8p s TYR 239 Ca 0.15 0.91 0.01 0.00 -0.37 0.00 0.00 57.07 57.76 1q8p s TYR 239 Cb -0.02 -2.48 -0.01 0.00 -0.40 0.00 0.00 41.96 39.06 1q8p s TYR 239 CO 0.03 0.28 -0.03 0.99 -1.57 0.00 0.00 175.55 175.25 1q8p s THR 240 N 0.21 0.23 0.00 -0.71 2.01 -1.26 -5.03 115.64 111.08 1q8p s THR 240 Ca 0.25 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1q8p s THR 240 Cb -0.15 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.13 1q8p s THR 240 CO 0.11 -0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.02