#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nuy s GLU 2 N 0.00 4.11 -0.41 2.12 2.56 -0.59 -4.94 118.70 121.54 2nuy s GLU 2 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 54.97 54.86 2nuy s GLU 2 Cb 0.00 -3.38 0.08 0.00 2.00 0.00 0.00 34.13 32.83 2nuy s GLU 2 CO 0.00 0.36 0.24 0.42 -0.56 0.00 0.00 175.26 175.72 2nuy s ILE 3 N 0.15 4.11 -0.11 -3.70 1.01 -1.26 -1.54 121.20 119.85 2nuy s ILE 3 Ca 0.14 -1.45 -0.04 0.00 0.00 0.00 0.00 60.65 59.30 2nuy s ILE 3 Cb -0.12 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 2nuy s ILE 3 CO 0.02 -0.50 0.05 -0.63 0.00 0.00 0.00 174.94 173.88 2nuy s ILE 4 N 1.40 4.76 -0.20 2.92 1.01 0.17 -0.96 121.20 130.29 2nuy s ILE 4 Ca 0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.56 2nuy s ILE 4 Cb -0.23 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 2nuy s ILE 4 CO 0.01 0.58 0.00 -0.55 0.00 0.00 0.00 174.94 174.99 2nuy s SER 5 N -0.68 4.83 -1.04 3.58 0.15 -0.15 -2.76 113.70 117.63 2nuy s SER 5 Ca 0.12 -0.21 -0.21 0.00 0.70 0.00 0.00 55.95 56.35 2nuy s SER 5 Cb -0.12 -1.83 0.08 0.00 -1.71 0.00 0.00 66.02 62.44 2nuy s SER 5 CO 0.02 0.05 1.41 -2.16 1.20 0.00 0.00 173.24 173.76 2nuy s PRO 6 N 1.06 3.65 0.34 5.44 0.04 -1.26 -0.75 135.00 143.52 2nuy s PRO 6 Ca 0.02 -1.42 -0.29 0.00 0.04 0.00 0.00 61.00 59.36 2nuy s PRO 6 Cb -0.14 -5.27 -0.11 0.00 0.04 0.00 0.00 34.50 29.02 2nuy s PRO 6 CO 0.02 -2.10 1.41 -1.50 0.04 0.00 0.00 177.00 174.86 2nuy s ILE 7 N 4.24 2.40 0.66 0.56 2.07 -1.16 -4.45 121.20 125.52 2nuy s ILE 7 Ca 0.44 0.39 -0.14 0.00 -1.41 0.00 0.00 60.65 59.93 2nuy s ILE 7 Cb -0.01 -3.25 -0.00 0.00 0.13 0.00 0.00 42.46 39.33 2nuy s ILE 7 CO -0.08 0.09 1.09 0.27 -1.91 0.00 0.00 174.94 174.40 2nuy s ILE 8 N -1.00 3.49 -0.38 2.00 -4.36 -1.26 -3.32 121.20 116.37 2nuy s ILE 8 Ca 0.52 0.64 -0.13 0.00 -0.26 0.00 0.00 60.65 61.42 2nuy s ILE 8 Cb -0.43 -3.18 0.01 0.00 1.25 0.00 0.00 42.46 40.11 2nuy s ILE 8 CO 0.56 -0.48 0.24 -0.89 0.24 0.00 0.00 174.94 174.62 2nuy s THR 9 N -2.52 4.98 0.09 8.37 2.01 -1.26 -4.90 115.64 122.42 2nuy s THR 9 Ca 0.64 -0.61 -0.31 0.00 0.31 0.00 0.00 61.69 61.72 2nuy s THR 9 Cb -0.18 -3.71 -0.07 0.00 0.01 0.00 0.00 72.50 68.54 2nuy s THR 9 CO 0.44 -0.19 1.39 -2.84 -0.69 0.00 0.00 174.62 172.72 2nuy s PRO 10 N 1.64 4.32 0.19 4.92 0.02 -1.26 -4.85 135.00 139.98 2nuy s PRO 10 Ca 0.04 2.05 0.11 0.00 0.02 0.00 0.00 61.00 63.22 2nuy s PRO 10 Cb -0.19 -3.31 -0.04 0.00 0.02 0.00 0.00 34.50 30.98 2nuy s PRO 10 CO 0.09 -0.45 -0.23 -0.06 -0.33 0.00 0.00 177.00 176.02 2nuy s PHE 11 N 1.32 2.33 0.66 6.54 0.08 -1.07 -0.60 117.98 127.25 2nuy s PHE 11 Ca 0.64 -0.35 -0.04 0.00 0.12 0.00 0.00 56.93 57.31 2nuy s PHE 11 Cb -0.36 -1.16 0.14 0.00 -0.57 0.00 0.00 43.02 41.07 2nuy s PHE 11 CO 0.30 0.50 0.91 -0.40 -0.10 0.00 0.00 175.22 176.42 2nuy n ASP 12 N 0.27 0.87 0.00 1.36 5.68 -0.43 -0.87 116.55 123.43 2nuy n ASP 12 Ca -0.13 -1.82 0.09 0.00 -0.50 0.00 0.00 54.79 52.44 2nuy n ASP 12 Cb 0.56 -0.62 0.50 0.00 -1.14 0.00 0.00 41.12 40.42 2nuy n ASP 12 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2nuy h LYS 13 N 0.00 0.38 -0.00 0.11 1.63 -1.94 -1.72 116.57 115.02 2nuy h LYS 13 Ca -0.30 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.48 2nuy h LYS 13 Cb 1.02 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.56 2nuy h LYS 13 CO 0.29 0.25 -0.08 1.04 -3.45 0.00 0.00 179.45 177.49 2nuy n GLN 14 N -4.48 0.60 -0.59 1.90 3.00 -1.26 -4.92 117.38 111.63 2nuy n GLN 14 Ca 0.05 -0.15 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 2nuy n GLN 14 Cb 0.22 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.97 2nuy n GLN 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2nuy n GLY 15 N 1.28 0.79 3.71 1.08 0.00 -0.65 -5.07 105.19 106.34 2nuy n GLY 15 Ca 0.14 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 2nuy n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nuy s LYS 16 N -1.29 4.07 0.32 1.61 2.20 -1.26 -4.84 119.74 120.55 2nuy s LYS 16 Ca 0.00 -0.25 -0.29 0.00 -0.36 0.00 0.00 55.97 55.07 2nuy s LYS 16 Cb 0.00 -3.34 -0.11 0.00 -1.51 0.00 0.00 37.83 32.87 2nuy s LYS 16 CO 0.00 0.33 1.58 0.28 -0.36 0.00 0.00 175.35 177.18 2nuy n VAL 17 N 3.40 1.28 -3.60 4.02 0.31 -1.26 -1.32 118.33 121.16 2nuy n VAL 17 Ca -0.16 -0.32 -0.40 0.00 -0.01 0.00 0.00 64.34 63.45 2nuy n VAL 17 Cb 0.52 -2.00 -0.08 0.00 -0.91 0.00 0.00 33.84 31.37 2nuy n VAL 17 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2nuy s ASN 18 N 0.35 5.64 0.46 4.52 3.84 0.24 -4.87 114.94 125.12 2nuy s ASN 18 Ca 0.61 -2.33 0.26 0.00 0.21 0.00 0.00 52.86 51.61 2nuy s ASN 18 Cb -0.48 -1.96 0.91 0.00 -0.55 0.00 0.00 41.25 39.16 2nuy s ASN 18 CO 0.52 -0.56 1.81 -0.37 -2.79 0.00 0.00 177.10 175.72 2nuy h VAL 19 N 5.71 0.33 -0.18 -5.21 -1.51 -1.93 -2.51 116.25 110.94 2nuy h VAL 19 Ca -0.09 -1.00 -0.04 0.00 -1.23 0.00 0.00 66.70 64.33 2nuy h VAL 19 Cb 1.03 1.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.95 2nuy h VAL 19 CO 0.78 0.14 -0.06 0.44 -1.23 0.00 0.00 177.57 177.64 2nuy h ASP 20 N 0.00 0.37 -0.20 4.19 3.32 -1.98 -1.78 116.42 120.33 2nuy h ASP 20 Ca -0.00 -0.39 -0.04 0.00 0.02 0.00 0.00 57.03 56.62 2nuy h ASP 20 Cb 0.76 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 2nuy h ASP 20 CO 0.02 0.67 0.02 0.00 -1.72 0.00 0.00 179.24 178.23 2nuy h ALA 21 N 0.71 1.47 -0.60 3.45 0.00 -1.88 -1.20 119.26 121.21 2nuy h ALA 21 Ca 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2nuy h ALA 21 Cb 0.52 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2nuy h ALA 21 CO 0.02 0.38 0.36 1.25 0.00 0.00 0.00 179.25 181.26 2nuy h LEU 22 N 0.44 0.73 -0.19 0.00 5.85 -1.20 -0.99 115.31 119.96 2nuy h LEU 22 Ca 0.10 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 2nuy h LEU 22 Cb 0.26 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 2nuy h LEU 22 CO 0.01 0.58 -0.09 0.11 -0.34 0.00 0.00 178.44 178.71 2nuy h LYS 23 N 0.82 0.39 -0.55 1.25 1.57 -0.80 -1.06 116.57 118.19 2nuy h LYS 23 Ca 0.22 -0.17 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 2nuy h LYS 23 Cb -0.01 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 2nuy h LYS 23 CO -0.04 0.69 0.26 1.15 -0.57 0.00 0.00 179.45 180.94 2nuy h THR 24 N 0.09 0.90 -0.02 -0.16 2.02 -1.17 -0.97 112.91 113.61 2nuy h THR 24 Ca 0.04 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 2nuy h THR 24 Cb 0.57 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 2nuy h THR 24 CO 0.03 0.09 0.01 -0.74 0.37 0.00 0.00 175.52 175.27 2nuy h HIS 25 N 0.49 0.03 -0.85 3.16 -0.00 -1.11 -2.40 115.15 114.46 2nuy h HIS 25 Ca 0.25 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.63 2nuy h HIS 25 Cb 0.21 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.41 27.57 2nuy h HIS 25 CO -0.12 0.21 0.56 0.00 -0.00 0.00 0.00 177.93 178.58 2nuy h ALA 26 N 0.81 1.08 -0.21 5.26 0.00 -0.99 -1.96 119.26 123.25 2nuy h ALA 26 Ca 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2nuy h ALA 26 Cb 0.20 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2nuy h ALA 26 CO -0.00 0.50 0.13 -0.22 0.00 0.00 0.00 179.25 179.66 2nuy h LYS 27 N 1.16 0.29 -0.66 0.00 3.64 -1.11 -1.71 116.57 118.19 2nuy h LYS 27 Ca 0.31 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.70 2nuy h LYS 27 Cb -0.12 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.60 2nuy h LYS 27 CO -0.07 0.25 0.41 -0.97 -2.27 0.00 0.00 179.45 176.80 2nuy h ASN 28 N 0.25 0.66 -0.54 4.20 -1.24 -1.14 -1.73 115.58 116.05 2nuy h ASN 28 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.09 2nuy h ASN 28 Cb 0.04 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 38.92 2nuy h ASN 28 CO -0.01 0.45 0.34 -0.07 -1.29 0.00 0.00 177.43 176.85 2nuy h LEU 29 N 0.79 0.63 -0.70 0.34 3.38 -1.01 -0.93 115.31 117.82 2nuy h LEU 29 Ca 0.27 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2nuy h LEU 29 Cb 0.04 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2nuy h LEU 29 CO -0.12 0.48 0.34 -0.07 0.09 0.00 0.00 178.44 179.16 2nuy h LEU 30 N 0.73 0.91 -1.47 1.67 3.38 -1.00 -1.42 115.31 118.11 2nuy h LEU 30 Ca 0.20 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2nuy h LEU 30 Cb -0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2nuy h LEU 30 CO -0.04 0.78 -0.27 -0.33 0.09 0.00 0.00 178.44 178.68 2nuy h GLU 31 N 0.97 0.00 -0.02 1.13 5.08 -0.89 -1.80 114.58 119.05 2nuy h GLU 31 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2nuy h GLU 31 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2nuy h GLU 31 CO -0.03 0.27 0.00 1.63 -1.00 0.00 0.00 179.01 179.88 2nuy n LYS 32 N -3.95 1.32 0.00 2.33 4.76 -0.39 -4.92 118.16 117.30 2nuy n LYS 32 Ca -0.02 -0.46 0.00 0.00 -2.87 0.00 0.00 58.31 54.96 2nuy n LYS 32 Cb 0.34 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 2nuy n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2nuy n GLY 33 N 1.07 1.06 3.74 0.72 0.00 -0.68 -4.42 105.19 106.68 2nuy n GLY 33 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2nuy n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nuy s ILE 34 N -2.00 3.47 -0.05 -0.61 -1.09 -0.58 -4.87 121.20 115.47 2nuy s ILE 34 Ca 0.00 1.27 0.04 0.00 -2.23 0.00 0.00 60.65 59.73 2nuy s ILE 34 Cb 0.00 -3.81 -0.25 0.00 -1.58 0.00 0.00 42.46 36.82 2nuy s ILE 34 CO 0.00 0.22 0.65 0.44 -1.23 0.00 0.00 174.94 175.01 2nuy h ASP 35 N 5.03 0.19 -5.12 3.58 3.32 -1.38 -3.40 116.42 118.64 2nuy h ASP 35 Ca -0.45 -0.37 -0.05 0.00 0.02 0.00 0.00 57.03 56.18 2nuy h ASP 35 Cb 1.21 -0.06 -0.12 0.00 0.22 0.00 0.00 39.33 40.59 2nuy h ASP 35 CO 0.74 1.33 -0.08 0.00 -1.72 0.00 0.00 179.24 179.50 2nuy s ALA 36 N -2.60 -0.73 -0.14 3.45 0.00 -1.22 -4.90 121.76 115.62 2nuy s ALA 36 Ca -0.10 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.57 2nuy s ALA 36 Cb 0.07 0.79 0.01 0.00 0.00 0.00 0.00 23.12 24.00 2nuy s ALA 36 CO 0.81 -0.71 -0.21 0.42 0.00 0.00 0.00 175.76 176.07 2nuy s ILE 37 N -3.87 2.01 -0.45 0.00 1.01 -0.60 -0.97 121.20 118.33 2nuy s ILE 37 Ca 0.09 -0.95 -0.20 0.00 0.00 0.00 0.00 60.65 59.59 2nuy s ILE 37 Cb 0.01 -1.78 0.03 0.00 0.01 0.00 0.00 42.46 40.72 2nuy s ILE 37 CO -0.05 0.54 0.61 0.12 0.00 0.00 0.00 174.94 176.16 2nuy s PHE 38 N 0.87 3.07 -0.02 3.97 2.19 0.07 -1.26 117.98 126.87 2nuy s PHE 38 Ca -0.06 -0.18 -0.17 0.00 0.33 0.00 0.00 56.93 56.85 2nuy s PHE 38 Cb -0.15 -3.32 -0.05 0.00 -1.31 0.00 0.00 43.02 38.18 2nuy s PHE 38 CO -0.03 -0.88 0.49 0.08 1.83 0.00 0.00 175.22 176.71 2nuy s VAL 39 N 2.71 4.99 -1.11 3.12 1.01 0.35 -2.99 120.40 128.48 2nuy s VAL 39 Ca 0.20 1.01 -0.05 0.00 0.00 0.00 0.00 61.98 63.14 2nuy s VAL 39 Cb -0.15 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.42 2nuy s VAL 39 CO 0.17 0.49 0.60 0.59 0.00 0.00 0.00 175.10 176.94 2nuy n ASN 40 N 2.41 -5.06 -2.58 3.32 3.02 -1.26 -1.32 115.26 113.78 2nuy n ASN 40 Ca -0.10 -0.28 -0.07 0.00 -0.03 0.00 0.00 54.58 54.10 2nuy n ASN 40 Cb 0.52 -3.83 0.05 0.00 -0.61 0.00 0.00 39.78 35.90 2nuy n ASN 40 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nuy n GLY 41 N -1.43 -0.41 0.17 7.41 0.00 -1.26 -3.76 105.19 105.91 2nuy n GLY 41 Ca -0.05 -1.80 -0.05 0.00 0.00 0.00 0.00 46.02 44.11 2nuy n GLY 41 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2nuy h THR 42 N -0.89 0.86 0.00 2.61 2.02 -1.95 0.68 112.91 116.24 2nuy h THR 42 Ca -0.10 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 2nuy h THR 42 Cb 0.32 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2nuy h THR 42 CO 0.09 0.05 -0.13 0.74 0.37 0.00 0.00 175.52 176.64 2nuy h THR 43 N 0.27 0.85 -0.20 3.16 2.02 -1.88 -0.06 112.91 117.07 2nuy h THR 43 Ca 0.18 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2nuy h THR 43 Cb 0.17 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 2nuy h THR 43 CO -0.20 0.12 0.00 0.61 0.37 0.00 0.00 175.52 176.43 2nuy n GLY 44 N -0.98 0.07 2.40 2.16 0.00 -0.23 -4.29 105.19 104.31 2nuy n GLY 44 Ca -0.02 -0.30 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 2nuy n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2nuy n LEU 45 N 0.14 -1.66 -0.11 0.99 4.32 -0.04 -4.23 117.00 116.42 2nuy n LEU 45 Ca 0.11 0.13 -0.03 0.00 -0.02 0.00 0.00 56.01 56.21 2nuy n LEU 45 Cb 0.23 -2.60 -0.03 0.00 -1.62 0.00 0.00 43.42 39.41 2nuy n LEU 45 CO 0.08 -0.43 0.36 0.61 -1.22 0.00 0.00 177.39 176.80 2nuy n GLY 46 N -0.93 -2.18 0.33 -0.72 0.00 0.06 -0.14 105.19 101.61 2nuy n GLY 46 Ca -0.20 0.59 0.17 0.00 0.00 0.00 0.00 46.02 46.57 2nuy n GLY 46 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2nuy h PRO 47 N 0.00 0.00 0.00 1.61 0.11 -1.84 -0.27 132.00 131.61 2nuy h PRO 47 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2nuy h PRO 47 Cb 0.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.21 2nuy h PRO 47 CO -0.24 0.00 -0.34 0.00 -0.21 0.00 0.00 178.00 177.21 2nuy n ALA 48 N -2.28 2.89 -2.11 -0.75 0.00 0.80 -4.86 120.51 114.19 2nuy n ALA 48 Ca 0.00 -0.21 -0.39 0.00 0.00 0.00 0.00 53.44 52.84 2nuy n ALA 48 Cb 0.27 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 2nuy n ALA 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2nuy s LEU 49 N -3.58 4.56 0.83 0.00 1.43 -0.11 -5.06 118.68 116.75 2nuy s LEU 49 Ca 0.10 1.52 -0.11 0.00 -1.03 0.00 0.00 54.13 54.61 2nuy s LEU 49 Cb 0.16 -3.18 0.09 0.00 0.03 0.00 0.00 46.19 43.29 2nuy s LEU 49 CO 0.65 0.20 1.09 -0.94 0.23 0.00 0.00 176.35 177.58 2nuy s SER 50 N -0.98 4.00 0.19 2.29 1.04 -1.26 -4.80 113.70 114.18 2nuy s SER 50 Ca 0.34 1.65 -0.16 0.00 0.48 0.00 0.00 55.95 58.27 2nuy s SER 50 Cb -0.22 -2.34 0.17 0.00 0.10 0.00 0.00 66.02 63.72 2nuy s SER 50 CO 0.24 -2.33 1.64 0.50 0.98 0.00 0.00 173.24 174.27 2nuy h LYS 51 N -1.33 -0.02 -0.65 4.02 3.64 -1.97 -1.07 116.57 119.19 2nuy h LYS 51 Ca -0.46 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 2nuy h LYS 51 Cb 1.26 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.05 2nuy h LYS 51 CO 0.53 -0.01 0.36 -0.44 -2.27 0.00 0.00 179.45 177.61 2nuy h ASP 52 N -0.02 0.82 -0.90 4.20 3.32 -2.00 -2.46 116.42 119.38 2nuy h ASP 52 Ca 0.25 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.21 2nuy h ASP 52 Cb 0.40 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 2nuy h ASP 52 CO -0.54 0.68 0.59 -0.33 -1.72 0.00 0.00 179.24 177.91 2nuy h GLU 53 N 0.89 1.20 -0.64 3.56 5.08 -1.68 -0.85 114.58 122.15 2nuy h GLU 53 Ca 0.23 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 2nuy h GLU 53 Cb 0.04 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 2nuy h GLU 53 CO -0.04 0.80 0.15 0.87 -1.00 0.00 0.00 179.01 179.80 2nuy h LYS 54 N 1.23 1.00 -0.19 2.33 1.57 -0.95 -2.15 116.57 119.42 2nuy h LYS 54 Ca 0.33 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2nuy h LYS 54 Cb -0.12 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 2nuy h LYS 54 CO -0.07 0.89 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.60 2nuy h ARG 55 N 0.96 0.34 -0.07 3.15 2.43 -0.92 -2.93 114.38 117.34 2nuy h ARG 55 Ca 0.20 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 2nuy h ARG 55 Cb 0.34 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2nuy h ARG 55 CO 0.00 0.56 -0.26 1.96 -1.51 0.00 0.00 179.97 180.72 2nuy h GLN 56 N 0.09 0.12 -0.49 0.20 1.08 -1.02 -0.81 115.11 114.28 2nuy h GLN 56 Ca 0.05 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 2nuy h GLN 56 Cb 0.41 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 2nuy h GLN 56 CO 0.01 0.38 0.19 -0.91 -0.95 0.00 0.00 178.83 177.55 2nuy h ASN 57 N 0.11 0.67 -0.17 1.46 2.35 -1.36 -0.30 115.58 118.34 2nuy h ASN 57 Ca 0.02 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 2nuy h ASN 57 Cb 0.52 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2nuy h ASN 57 CO 0.04 0.66 0.04 0.25 -1.65 0.00 0.00 177.43 176.77 2nuy h LEU 58 N 0.64 0.25 -0.59 1.61 5.85 -1.18 -1.55 115.31 120.34 2nuy h LEU 58 Ca 0.16 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.71 2nuy h LEU 58 Cb 0.19 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 2nuy h LEU 58 CO -0.01 0.41 0.31 0.78 -0.34 0.00 0.00 178.44 179.58 2nuy h ASN 59 N 0.08 0.44 0.33 1.25 2.35 -1.00 -0.46 115.58 118.57 2nuy h ASN 59 Ca 0.05 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 2nuy h ASN 59 Cb 0.26 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2nuy h ASN 59 CO 0.00 0.29 -0.16 0.00 -1.65 0.00 0.00 177.43 175.91 2nuy h ALA 60 N 1.32 -0.44 -0.30 -0.83 0.00 -0.90 -3.07 119.26 115.04 2nuy h ALA 60 Ca 0.27 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2nuy h ALA 60 Cb 0.18 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2nuy h ALA 60 CO -0.18 -0.74 0.02 -0.07 0.00 0.00 0.00 179.25 178.27 2nuy h LEU 61 N -0.46 0.42 -1.62 0.00 3.38 -1.06 -2.61 115.31 113.36 2nuy h LEU 61 Ca -0.05 -0.07 0.17 0.00 0.09 0.00 0.00 57.88 58.03 2nuy h LEU 61 Cb 0.35 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2nuy h LEU 61 CO 0.07 0.47 0.52 0.22 0.09 0.00 0.00 178.44 179.82 2nuy h TYR 62 N 0.44 0.43 0.00 1.13 -0.00 -0.98 0.19 116.97 118.18 2nuy h TYR 62 Ca 0.10 0.01 -0.05 0.00 -0.00 0.00 0.00 58.73 58.79 2nuy h TYR 62 Cb 0.26 -0.13 -0.01 0.00 -0.00 0.00 0.00 36.73 36.85 2nuy h TYR 62 CO 0.01 0.15 -0.24 -0.44 -0.00 0.00 0.00 178.16 177.64 2nuy h ASP 63 N 0.35 0.00 0.09 -2.11 3.32 -1.51 -3.23 116.42 113.33 2nuy h ASP 63 Ca 0.39 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.15 2nuy h ASP 63 Cb 0.99 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 2nuy h ASP 63 CO -0.12 0.24 -1.54 0.58 -1.72 0.00 0.00 179.24 176.68 2nuy h VAL 64 N 0.00 0.89 -3.04 -1.35 2.07 -0.82 -3.49 116.25 110.51 2nuy h VAL 64 Ca -0.00 -2.33 -0.03 0.00 0.82 0.00 0.00 66.70 65.15 2nuy h VAL 64 Cb 0.45 2.55 -0.13 0.00 -1.52 0.00 0.00 31.29 32.64 2nuy h VAL 64 CO 0.03 0.67 0.12 0.28 0.02 0.00 0.00 177.57 178.69 2nuy s THR 65 N -2.47 0.02 -2.43 2.57 -1.32 -0.43 -5.03 115.64 106.54 2nuy s THR 65 Ca -0.23 -0.17 0.21 0.00 -1.21 0.00 0.00 61.69 60.29 2nuy s THR 65 Cb 0.05 -1.04 0.12 0.00 -1.51 0.00 0.00 72.50 70.13 2nuy s THR 65 CO 0.73 -0.09 1.12 1.41 -2.21 0.00 0.00 174.62 175.58 2nuy n HIS 66 N -0.22 0.00 -1.86 9.09 -0.00 -1.26 -3.95 115.22 117.02 2nuy n HIS 66 Ca -0.17 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.13 2nuy n HIS 66 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.63 2nuy n HIS 66 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2nuy n LYS 67 N 0.88 3.19 -5.12 -0.41 4.76 -1.26 -2.92 118.16 117.28 2nuy n LYS 67 Ca 0.11 -2.83 -0.30 0.00 -2.87 0.00 0.00 58.31 52.42 2nuy n LYS 67 Cb 0.50 -3.13 -0.17 0.00 -1.84 0.00 0.00 35.03 30.39 2nuy n LYS 67 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2nuy s LEU 68 N 1.26 2.01 -0.28 -0.35 1.43 -1.26 -1.55 118.68 119.94 2nuy s LEU 68 Ca 0.47 -0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 53.02 2nuy s LEU 68 Cb 0.13 -1.29 0.01 0.00 0.03 0.00 0.00 46.19 45.08 2nuy s LEU 68 CO -0.06 0.17 0.04 -0.63 0.23 0.00 0.00 176.35 176.10 2nuy s ILE 69 N 0.22 3.76 -0.57 -0.59 1.01 -0.39 -1.07 121.20 123.56 2nuy s ILE 69 Ca -0.13 -0.68 -0.20 0.00 0.00 0.00 0.00 60.65 59.64 2nuy s ILE 69 Cb -0.16 -2.90 0.08 0.00 0.01 0.00 0.00 42.46 39.49 2nuy s ILE 69 CO 0.06 0.15 0.74 0.12 0.00 0.00 0.00 174.94 176.02 2nuy s PHE 70 N 1.48 2.94 -0.15 3.97 5.99 -0.22 -0.49 117.98 131.50 2nuy s PHE 70 Ca 0.03 -0.68 -0.28 0.00 0.00 0.00 0.00 56.93 56.00 2nuy s PHE 70 Cb -0.17 -3.91 -0.01 0.00 0.00 0.00 0.00 43.02 38.94 2nuy s PHE 70 CO 0.01 -1.27 0.95 -1.14 -0.00 0.00 0.00 175.22 173.77 2nuy s GLN 71 N 3.00 4.35 0.00 10.12 -0.44 -0.44 -0.50 119.66 135.76 2nuy s GLN 71 Ca 0.16 1.26 0.00 0.00 -2.50 0.00 0.00 55.36 54.28 2nuy s GLN 71 Cb -0.20 -3.57 0.00 0.00 -1.64 0.00 0.00 33.01 27.59 2nuy s GLN 71 CO 0.10 -0.38 0.65 1.33 0.50 0.00 0.00 175.29 177.49 2nuy n VAL 72 N 4.76 0.34 -1.70 1.34 0.24 0.10 -4.68 118.33 118.72 2nuy n VAL 72 Ca 0.08 -0.65 -0.41 0.00 -2.04 0.00 0.00 64.34 61.32 2nuy n VAL 72 Cb 0.48 0.86 0.01 0.00 -1.47 0.00 0.00 33.84 33.72 2nuy n VAL 72 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2nuy n GLY 73 N -0.17 0.54 3.85 7.63 0.00 -1.26 -4.60 105.19 111.19 2nuy n GLY 73 Ca 0.00 0.21 -0.07 0.00 0.00 0.00 0.00 46.02 46.17 2nuy n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2nuy s SER 74 N -0.50 -0.25 -0.11 1.61 1.04 -1.26 -4.74 113.70 109.49 2nuy s SER 74 Ca 0.60 -0.59 0.04 0.00 0.48 0.00 0.00 55.95 56.48 2nuy s SER 74 Cb -0.52 0.70 0.28 0.00 0.10 0.00 0.00 66.02 66.59 2nuy s SER 74 CO 0.59 -1.30 1.05 0.18 0.98 0.00 0.00 173.24 174.73 2nuy n LEU 75 N -0.46 3.15 -3.57 2.42 4.77 -1.26 -4.53 117.00 117.52 2nuy n LEU 75 Ca -0.04 -1.61 -0.29 0.00 -0.03 0.00 0.00 56.01 54.04 2nuy n LEU 75 Cb 0.59 -0.58 -0.15 0.00 -2.33 0.00 0.00 43.42 40.95 2nuy n LEU 75 CO 0.15 0.47 -0.33 0.21 -1.33 0.00 0.00 177.39 176.56 2nuy s ASN 76 N -0.15 3.41 0.51 -1.43 3.84 -1.26 -5.03 114.94 114.84 2nuy s ASN 76 Ca 0.20 -1.22 0.26 0.00 0.21 0.00 0.00 52.86 52.31 2nuy s ASN 76 Cb 0.16 -0.38 1.37 0.00 -0.55 0.00 0.00 41.25 41.85 2nuy s ASN 76 CO 0.05 -0.42 1.93 0.25 -2.79 0.00 0.00 177.10 176.12 2nuy h LEU 77 N 8.38 0.07 -0.77 3.21 5.85 -2.00 0.30 115.31 130.36 2nuy h LEU 77 Ca -0.19 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 2nuy h LEU 77 Cb 1.03 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 2nuy h LEU 77 CO 0.42 0.03 0.46 0.78 -0.34 0.00 0.00 178.44 179.79 2nuy h ASN 78 N 0.07 0.92 -0.29 1.25 2.35 -1.96 0.21 115.58 118.14 2nuy h ASN 78 Ca 0.35 -0.07 -0.13 0.00 -0.55 0.00 0.00 56.30 55.91 2nuy h ASN 78 Cb 1.29 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 2nuy h ASN 78 CO -0.03 0.72 -0.27 0.44 -1.65 0.00 0.00 177.43 176.64 2nuy h ASP 79 N 1.05 0.81 -0.08 5.81 3.32 -1.36 -1.95 116.42 124.02 2nuy h ASP 79 Ca 0.27 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2nuy h ASP 79 Cb -0.03 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 2nuy h ASP 79 CO -0.05 1.04 0.05 0.58 -1.72 0.00 0.00 179.24 179.14 2nuy h VAL 80 N 0.68 1.03 -0.69 -1.35 2.07 -1.08 -2.12 116.25 114.79 2nuy h VAL 80 Ca 0.08 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.55 2nuy h VAL 80 Cb 0.80 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 2nuy h VAL 80 CO 0.07 0.03 0.46 0.24 0.02 0.00 0.00 177.57 178.38 2nuy h MET 81 N 0.09 0.90 -0.74 1.57 2.86 -0.87 -0.81 114.93 117.94 2nuy h MET 81 Ca 0.03 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 2nuy h MET 81 Cb -0.00 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.42 2nuy h MET 81 CO -0.01 0.60 0.24 1.49 1.06 0.00 0.00 176.91 180.29 2nuy h GLU 82 N 0.93 1.14 -0.24 1.72 4.81 -1.04 0.56 114.58 122.45 2nuy h GLU 82 Ca 0.25 -0.24 -0.16 0.00 -0.13 0.00 0.00 59.36 59.09 2nuy h GLU 82 Cb -0.10 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.11 2nuy h GLU 82 CO -0.06 0.96 -0.48 -0.07 -0.73 0.00 0.00 179.01 178.64 2nuy h LEU 83 N 1.09 0.71 -0.39 1.64 3.38 -0.80 -2.15 115.31 118.79 2nuy h LEU 83 Ca 0.24 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2nuy h LEU 83 Cb 0.29 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2nuy h LEU 83 CO -0.01 1.08 0.10 0.58 0.09 0.00 0.00 178.44 180.28 2nuy h VAL 84 N 0.52 1.22 -0.84 1.22 2.07 -0.77 -1.38 116.25 118.29 2nuy h VAL 84 Ca 0.03 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 2nuy h VAL 84 Cb 1.03 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 2nuy h VAL 84 CO 0.10 0.26 0.42 0.11 0.02 0.00 0.00 177.57 178.48 2nuy h LYS 85 N 0.49 1.20 -0.28 1.57 1.57 -0.86 -1.56 116.57 118.70 2nuy h LYS 85 Ca 0.12 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2nuy h LYS 85 Cb 0.30 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2nuy h LYS 85 CO 0.00 0.91 0.14 0.35 -0.57 0.00 0.00 179.45 180.28 2nuy h PHE 86 N 1.20 0.40 0.00 -1.35 3.04 -1.20 -2.91 116.94 116.11 2nuy h PHE 86 Ca 0.29 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.23 2nuy h PHE 86 Cb 0.09 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.47 2nuy h PHE 86 CO 0.01 0.35 0.00 0.66 -2.02 0.00 0.00 178.31 177.31 2nuy h SER 87 N 0.33 0.00 0.12 0.41 4.64 -1.01 -2.84 113.55 115.20 2nuy h SER 87 Ca 0.10 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 2nuy h SER 87 Cb 0.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2nuy h SER 87 CO -0.01 0.00 -0.07 0.78 -0.87 0.00 0.00 176.83 176.65 2nuy h ASN 88 N 0.00 0.00 1.06 4.97 2.35 -1.08 -1.57 115.58 121.31 2nuy h ASN 88 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2nuy h ASN 88 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 2nuy h ASN 88 CO 0.00 0.07 0.00 -0.62 -1.65 0.00 0.00 177.43 175.23 2nuy n GLU 89 N -4.11 0.15 -4.20 0.81 -0.58 -1.07 -4.87 120.64 106.77 2nuy n GLU 89 Ca -0.03 0.21 -0.22 0.00 -0.42 0.00 0.00 57.16 56.70 2nuy n GLU 89 Cb 0.16 -1.70 -0.06 0.00 -0.57 0.00 0.00 31.44 29.27 2nuy n GLU 89 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 2nuy s MET 90 N -3.11 2.63 -0.79 3.49 -1.94 -0.59 -5.07 119.30 113.92 2nuy s MET 90 Ca 0.10 -1.22 -0.17 0.00 -1.71 0.00 0.00 55.69 52.69 2nuy s MET 90 Cb 0.13 -2.38 0.16 0.00 2.01 0.00 0.00 34.83 34.75 2nuy s MET 90 CO 0.49 0.39 0.86 0.34 -0.01 0.00 0.00 175.02 177.09 2nuy s ASP 91 N -3.74 6.54 0.31 3.03 2.15 -1.26 -5.02 116.67 118.68 2nuy s ASP 91 Ca 0.32 -2.10 0.03 0.00 0.43 0.00 0.00 52.55 51.22 2nuy s ASP 91 Cb -0.07 -2.30 -0.05 0.00 -0.30 0.00 0.00 42.92 40.20 2nuy s ASP 91 CO 0.23 -0.89 0.09 0.27 -0.17 0.00 0.00 175.17 174.69 2nuy s ILE 92 N 1.73 0.83 0.12 4.11 -4.36 -1.26 -4.76 121.20 117.61 2nuy s ILE 92 Ca 0.21 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.45 2nuy s ILE 92 Cb -0.13 -2.67 -0.04 0.00 1.25 0.00 0.00 42.46 40.87 2nuy s ILE 92 CO -0.05 0.00 1.51 0.25 0.24 0.00 0.00 174.94 176.90 2nuy h LEU 93 N 2.19 0.73 0.00 0.37 5.85 -0.97 -3.47 115.31 120.00 2nuy h LEU 93 Ca -0.39 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 57.96 2nuy h LEU 93 Cb 1.25 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2nuy h LEU 93 CO 0.64 0.93 0.00 0.61 -0.34 0.00 0.00 178.44 180.28 2nuy n GLY 94 N -0.16 -0.89 3.29 3.75 0.00 -1.04 -4.49 105.19 105.66 2nuy n GLY 94 Ca -0.02 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 2nuy n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nuy s VAL 95 N -2.00 2.04 0.16 1.61 0.11 -0.70 -1.05 120.40 120.57 2nuy s VAL 95 Ca 0.00 -1.09 0.03 0.00 -2.93 0.00 0.00 61.98 57.99 2nuy s VAL 95 Cb 0.00 -1.70 -0.05 0.00 -1.53 0.00 0.00 36.38 33.10 2nuy s VAL 95 CO 0.00 0.57 -0.06 -0.55 -3.33 0.00 0.00 175.10 171.73 2nuy s SER 96 N -0.45 1.56 -0.16 3.54 0.15 0.35 -0.96 113.70 117.72 2nuy s SER 96 Ca 0.05 -1.07 -0.26 0.00 0.70 0.00 0.00 55.95 55.37 2nuy s SER 96 Cb -0.11 0.04 0.07 0.00 -1.71 0.00 0.00 66.02 64.30 2nuy s SER 96 CO 0.01 -0.43 0.66 -0.55 1.20 0.00 0.00 173.24 174.13 2nuy s SER 97 N -3.17 -0.66 0.73 5.45 0.15 -1.20 -0.73 113.70 114.27 2nuy s SER 97 Ca 0.19 1.06 -0.07 0.00 0.70 0.00 0.00 55.95 57.83 2nuy s SER 97 Cb 0.04 1.01 0.08 0.00 -1.71 0.00 0.00 66.02 65.44 2nuy s SER 97 CO 0.01 -0.39 1.04 -1.38 1.20 0.00 0.00 173.24 173.72 2nuy s HIS 98 N -0.32 2.68 0.89 3.44 -3.43 -1.26 -1.93 115.29 115.37 2nuy s HIS 98 Ca -0.05 0.37 -0.12 0.00 -0.80 0.00 0.00 55.06 54.46 2nuy s HIS 98 Cb -0.03 -3.26 0.13 0.00 -1.43 0.00 0.00 32.58 27.98 2nuy s HIS 98 CO 0.05 -1.55 1.14 -1.54 -2.00 0.00 0.00 174.74 170.84 2nuy s SER 99 N -4.57 3.68 0.65 7.38 1.04 -1.25 -4.85 113.70 115.78 2nuy s SER 99 Ca 0.62 0.96 -0.17 0.00 0.48 0.00 0.00 55.95 57.84 2nuy s SER 99 Cb -0.10 -1.54 -0.03 0.00 0.10 0.00 0.00 66.02 64.45 2nuy s SER 99 CO 0.45 -2.44 0.88 -2.65 0.98 0.00 0.00 173.24 170.46 2nuy n PRO 100 N -3.69 0.67 -4.24 4.02 -0.02 -1.26 -4.96 135.00 125.51 2nuy n PRO 100 Ca 0.07 0.27 -0.18 0.00 -2.02 0.00 0.00 63.50 61.64 2nuy n PRO 100 Cb 0.59 -2.11 -0.08 0.00 -0.02 0.00 0.00 33.50 31.89 2nuy n PRO 100 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2nuy s TYR 101 N -1.66 1.59 0.00 6.00 1.13 -1.26 -4.82 117.35 118.32 2nuy s TYR 101 Ca 0.74 -1.58 0.00 0.00 -1.41 0.00 0.00 57.07 54.82 2nuy s TYR 101 Cb -0.39 -0.60 0.00 0.00 -1.10 0.00 0.00 41.96 39.87 2nuy s TYR 101 CO 0.49 -0.89 0.00 0.98 -2.51 0.00 0.00 175.55 173.63 2nuy n TYR 102 N -0.57 0.00 -1.86 -3.49 4.19 -1.26 -4.87 117.16 109.30 2nuy n TYR 102 Ca 0.06 0.00 -0.42 0.00 3.31 0.00 0.00 57.90 60.85 2nuy n TYR 102 Cb 0.63 0.00 -0.03 0.00 0.49 0.00 0.00 39.34 40.43 2nuy n TYR 102 CO 0.00 0.00 0.00 -0.06 0.91 0.00 0.00 176.86 177.71 2nuy s PHE 103 N 0.00 1.66 0.64 2.98 0.08 -1.26 -4.97 117.98 117.10 2nuy s PHE 103 Ca 0.00 0.01 -0.04 0.00 0.12 0.00 0.00 56.93 57.03 2nuy s PHE 103 Cb 0.00 -4.05 0.05 0.00 -0.57 0.00 0.00 43.02 38.45 2nuy s PHE 103 CO 0.00 -4.42 0.92 -1.25 -0.10 0.00 0.00 175.22 170.36 2nuy s PRO 104 N 4.47 2.37 -1.71 0.24 0.04 -1.26 -4.42 135.00 134.73 2nuy s PRO 104 Ca 0.81 -0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.41 2nuy s PRO 104 Cb -0.36 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 31.88 2nuy s PRO 104 CO 0.35 -1.00 0.00 0.54 0.04 0.00 0.00 177.00 176.92 2nuy n ARG 105 N -2.68 -1.73 -2.57 4.56 1.74 -1.26 -4.98 116.66 109.74 2nuy n ARG 105 Ca 0.08 0.97 -0.40 0.00 -0.77 0.00 0.00 57.85 57.72 2nuy n ARG 105 Cb 0.60 -5.58 -0.05 0.00 -1.02 0.00 0.00 32.46 26.41 2nuy n ARG 105 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2nuy s LEU 106 N -5.75 4.58 0.67 0.55 1.43 -1.26 -5.02 118.68 113.88 2nuy s LEU 106 Ca 0.00 2.15 -0.16 0.00 -1.03 0.00 0.00 54.13 55.09 2nuy s LEU 106 Cb 0.00 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.61 2nuy s LEU 106 CO 0.00 -0.05 1.19 -2.84 0.23 0.00 0.00 176.35 174.89 2nuy s PRO 107 N -1.28 2.54 0.40 1.29 0.02 -1.26 -4.91 135.00 131.80 2nuy s PRO 107 Ca 0.44 1.73 0.07 0.00 0.02 0.00 0.00 61.00 63.26 2nuy s PRO 107 Cb -0.30 -1.88 0.85 0.00 0.02 0.00 0.00 34.50 33.19 2nuy s PRO 107 CO 0.38 -1.52 2.03 1.49 -0.33 0.00 0.00 177.00 179.05 2nuy h GLU 108 N 0.18 0.57 -0.04 5.54 4.81 -2.01 -1.62 114.58 122.01 2nuy h GLU 108 Ca -0.49 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.72 2nuy h GLU 108 Cb 1.29 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 2nuy h GLU 108 CO 0.52 0.38 0.03 1.57 -0.73 0.00 0.00 179.01 180.78 2nuy h LYS 109 N 0.59 0.00 -0.51 1.92 2.10 -1.99 -1.27 116.57 117.41 2nuy h LYS 109 Ca 0.19 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.82 2nuy h LYS 109 Cb 0.05 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.36 2nuy h LYS 109 CO -0.05 0.00 0.22 0.74 -2.00 0.00 0.00 179.45 178.37 2nuy h PHE 110 N 0.00 0.75 -0.63 0.07 0.05 -1.65 0.98 116.94 116.51 2nuy h PHE 110 Ca 0.02 -0.05 -0.04 0.00 3.82 0.00 0.00 57.97 61.72 2nuy h PHE 110 Cb 0.07 -0.23 -0.03 0.00 2.00 0.00 0.00 35.95 37.77 2nuy h PHE 110 CO 0.00 0.61 0.22 -0.07 -0.18 0.00 0.00 178.31 178.89 2nuy h LEU 111 N 0.68 0.90 -0.25 1.54 4.07 -1.33 -1.46 115.31 119.46 2nuy h LEU 111 Ca 0.17 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 2nuy h LEU 111 Cb 0.16 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.65 2nuy h LEU 111 CO -0.02 0.85 0.13 0.00 -1.08 0.00 0.00 178.44 178.32 2nuy h ALA 112 N 1.09 0.33 -0.20 1.53 0.00 -1.06 -2.61 119.26 118.33 2nuy h ALA 112 Ca 0.21 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2nuy h ALA 112 Cb 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2nuy h ALA 112 CO -0.01 -0.12 -0.16 0.87 0.00 0.00 0.00 179.25 179.83 2nuy h LYS 113 N 0.28 0.34 0.67 0.00 1.57 -0.62 -0.66 116.57 118.17 2nuy h LYS 113 Ca 0.09 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2nuy h LYS 113 Cb 0.11 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.39 2nuy h LYS 113 CO -0.01 0.51 -0.32 -0.92 -0.57 0.00 0.00 179.45 178.13 2nuy h TYR 114 N 0.32 -0.84 -0.42 -1.35 3.20 -1.10 -2.21 116.97 114.57 2nuy h TYR 114 Ca 0.06 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 2nuy h TYR 114 Cb 0.48 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 2nuy h TYR 114 CO 0.01 -0.50 0.13 1.88 -1.64 0.00 0.00 178.16 178.04 2nuy h TYR 115 N -0.95 0.61 -0.91 -3.82 0.05 -1.31 -2.54 116.97 108.09 2nuy h TYR 115 Ca -0.09 -0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.70 2nuy h TYR 115 Cb 0.71 -0.19 -0.06 0.00 1.01 0.00 0.00 36.73 38.20 2nuy h TYR 115 CO -0.02 0.51 0.58 0.93 -1.05 0.00 0.00 178.16 179.11 2nuy h GLU 116 N 0.60 1.07 -0.48 4.88 5.08 -1.01 -1.93 114.58 122.80 2nuy h GLU 116 Ca 0.14 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 2nuy h GLU 116 Cb 0.18 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2nuy h GLU 116 CO -0.01 0.71 -0.20 1.49 -1.00 0.00 0.00 179.01 180.00 2nuy h GLU 117 N 1.11 0.97 -0.10 2.33 4.57 -0.98 -0.73 114.58 121.75 2nuy h GLU 117 Ca 0.38 -0.40 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2nuy h GLU 117 Cb 0.07 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2nuy h GLU 117 CO -0.14 1.08 0.06 0.82 -1.18 0.00 0.00 179.01 179.64 2nuy h ILE 118 N 0.84 1.08 -0.94 2.32 2.04 -1.32 -2.98 117.51 118.56 2nuy h ILE 118 Ca 0.11 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.78 2nuy h ILE 118 Cb 0.77 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.85 2nuy h ILE 118 CO 0.06 0.08 0.61 0.00 0.00 0.00 0.00 178.15 178.90 2nuy h ALA 119 N 0.96 1.25 -0.54 1.87 0.00 -1.21 0.08 119.26 121.67 2nuy h ALA 119 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2nuy h ALA 119 Cb 0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2nuy h ALA 119 CO -0.01 0.46 0.31 -0.09 0.00 0.00 0.00 179.25 179.92 2nuy h ARG 120 N 1.16 0.73 0.00 0.00 2.43 -0.98 -3.16 114.38 114.56 2nuy h ARG 120 Ca 0.38 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.43 2nuy h ARG 120 Cb 0.03 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2nuy h ARG 120 CO -0.13 0.53 -2.01 -0.89 -1.51 0.00 0.00 179.97 175.96 2nuy n ILE 121 N -4.41 0.20 -2.63 1.20 2.08 -1.06 -4.99 119.36 109.74 2nuy n ILE 121 Ca 0.05 -0.53 -0.39 0.00 0.56 0.00 0.00 62.75 62.44 2nuy n ILE 121 Cb 0.09 -0.05 -0.05 0.00 -0.75 0.00 0.00 39.64 38.87 2nuy n ILE 121 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2nuy s SER 122 N -4.54 7.28 0.00 4.38 0.15 -0.01 -4.88 113.70 116.08 2nuy s SER 122 Ca -0.08 2.03 0.14 0.00 0.70 0.00 0.00 55.95 58.74 2nuy s SER 122 Cb 0.12 -2.60 0.22 0.00 -1.71 0.00 0.00 66.02 62.05 2nuy s SER 122 CO 0.85 -0.12 1.09 -1.54 1.20 0.00 0.00 173.24 174.72 2nuy n SER 123 N 0.85 2.56 -4.73 5.45 3.41 -1.26 -4.93 113.62 114.97 2nuy n SER 123 Ca 0.01 -1.75 -0.22 0.00 -0.26 0.00 0.00 58.87 56.65 2nuy n SER 123 Cb 0.48 -0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 2nuy n SER 123 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2nuy s HIS 124 N -1.12 2.86 0.42 7.33 3.76 -1.26 -5.09 115.29 122.18 2nuy s HIS 124 Ca 0.21 -0.20 -0.26 0.00 -0.15 0.00 0.00 55.06 54.66 2nuy s HIS 124 Cb 0.13 -1.34 -0.09 0.00 1.11 0.00 0.00 32.58 32.39 2nuy s HIS 124 CO 0.19 0.53 1.41 -1.12 -0.85 0.00 0.00 174.74 174.90 2nuy s SER 125 N -3.77 6.13 -0.14 1.40 0.01 -1.26 -4.75 113.70 111.32 2nuy s SER 125 Ca 0.33 2.89 -0.16 0.00 1.31 0.00 0.00 55.95 60.32 2nuy s SER 125 Cb -0.06 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 2nuy s SER 125 CO 0.22 -1.00 0.40 -0.22 0.41 0.00 0.00 173.24 173.05 2nuy s LEU 126 N -2.45 4.26 -0.25 2.44 2.96 -1.24 -1.72 118.68 122.68 2nuy s LEU 126 Ca 0.57 0.67 -0.02 0.00 -0.22 0.00 0.00 54.13 55.14 2nuy s LEU 126 Cb -0.43 -2.55 0.02 0.00 0.50 0.00 0.00 46.19 43.73 2nuy s LEU 126 CO 0.56 0.04 -0.05 -0.31 -1.32 0.00 0.00 176.35 175.27 2nuy s TYR 127 N 0.59 3.05 -0.09 5.38 2.02 -0.14 -1.40 117.35 126.76 2nuy s TYR 127 Ca 0.22 -1.45 -0.26 0.00 -0.37 0.00 0.00 57.07 55.21 2nuy s TYR 127 Cb -0.14 -2.07 -0.03 0.00 -0.40 0.00 0.00 41.96 39.32 2nuy s TYR 127 CO 0.07 -0.70 0.82 0.42 -1.57 0.00 0.00 175.55 174.59 2nuy s ILE 128 N 1.35 4.94 -0.38 2.71 -1.09 0.26 -3.25 121.20 125.75 2nuy s ILE 128 Ca 0.01 1.66 -0.10 0.00 -2.23 0.00 0.00 60.65 60.00 2nuy s ILE 128 Cb -0.16 -4.14 0.04 0.00 -1.58 0.00 0.00 42.46 36.62 2nuy s ILE 128 CO -0.04 0.15 0.21 -0.47 -1.23 0.00 0.00 174.94 173.55 2nuy s TYR 129 N 1.34 3.27 -0.32 3.97 5.04 -0.81 -0.74 117.35 129.10 2nuy s TYR 129 Ca 0.41 -1.20 -0.10 0.00 -2.44 0.00 0.00 57.07 53.75 2nuy s TYR 129 Cb -0.18 -2.56 -0.01 0.00 0.35 0.00 0.00 41.96 39.56 2nuy s TYR 129 CO 0.18 -0.72 0.17 1.21 -1.34 0.00 0.00 175.55 175.05 2nuy s ASN 130 N 1.69 5.65 -0.41 4.32 2.47 0.04 -3.90 114.94 124.81 2nuy s ASN 130 Ca 0.02 -0.54 0.07 0.00 0.42 0.00 0.00 52.86 52.83 2nuy s ASN 130 Cb -0.20 -2.03 0.23 0.00 -1.45 0.00 0.00 41.25 37.80 2nuy s ASN 130 CO 0.05 -0.21 0.52 0.00 -3.72 0.00 0.00 177.10 173.73 2nuy n TYR 131 N 5.00 -0.85 -0.35 0.43 4.19 -1.26 -0.87 117.16 123.46 2nuy n TYR 131 Ca -0.13 -3.29 0.08 0.00 3.31 0.00 0.00 57.90 57.87 2nuy n TYR 131 Cb 0.49 -0.00 0.26 0.00 0.49 0.00 0.00 39.34 40.58 2nuy n TYR 131 CO 0.00 0.00 0.00 -1.35 0.91 0.00 0.00 176.86 176.42 2nuy h PRO 132 N 4.37 0.91 -0.06 2.98 0.11 -1.77 0.18 132.00 138.73 2nuy h PRO 132 Ca 0.09 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.16 2nuy h PRO 132 Cb 0.91 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 2nuy h PRO 132 CO 0.42 0.60 0.06 0.00 -0.21 0.00 0.00 178.00 178.87 2nuy h ALA 133 N 1.56 1.78 0.03 -0.75 0.00 -1.88 0.39 119.26 120.39 2nuy h ALA 133 Ca 0.50 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 55.04 2nuy h ALA 133 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2nuy h ALA 133 CO -0.26 -0.09 -2.05 0.00 0.00 0.00 0.00 179.25 176.85 2nuy n ALA 134 N -2.41 1.06 0.04 0.00 0.00 -0.08 -4.66 120.51 114.45 2nuy n ALA 134 Ca -0.02 -0.81 0.01 0.00 0.00 0.00 0.00 53.44 52.63 2nuy n ALA 134 Cb 0.15 -0.30 -0.07 0.00 0.00 0.00 0.00 19.45 19.23 2nuy n ALA 134 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2nuy h THR 135 N -0.54 0.45 0.00 0.00 1.35 -1.15 -3.44 112.91 109.59 2nuy h THR 135 Ca -0.51 -1.89 0.00 0.00 -0.55 0.00 0.00 66.41 63.45 2nuy h THR 135 Cb 1.69 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 70.10 2nuy h THR 135 CO -0.18 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 2nuy n GLY 136 N 1.37 0.76 3.03 5.82 0.00 0.12 -4.05 105.19 112.24 2nuy n GLY 136 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 2nuy n GLY 136 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nuy s TYR 137 N -2.32 0.58 -0.16 1.61 2.02 -1.25 -5.00 117.35 112.83 2nuy s TYR 137 Ca 0.00 -0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 56.28 2nuy s TYR 137 Cb 0.00 -0.36 -0.01 0.00 -0.40 0.00 0.00 41.96 41.20 2nuy s TYR 137 CO 0.00 -0.07 -0.12 0.34 -1.57 0.00 0.00 175.55 174.12 2nuy s ASP 138 N -1.24 3.92 -0.47 2.29 2.15 -1.26 -3.58 116.67 118.48 2nuy s ASP 138 Ca -0.08 -0.40 -0.24 0.00 0.43 0.00 0.00 52.55 52.27 2nuy s ASP 138 Cb -0.08 -1.62 0.03 0.00 -0.30 0.00 0.00 42.92 40.95 2nuy s ASP 138 CO 0.00 0.09 0.83 -0.63 -0.17 0.00 0.00 175.17 175.30 2nuy s ILE 139 N 0.77 4.58 0.51 4.11 1.01 -1.26 -5.03 121.20 125.89 2nuy s ILE 139 Ca -0.05 0.46 -0.17 0.00 0.00 0.00 0.00 60.65 60.88 2nuy s ILE 139 Cb -0.15 -4.37 -0.08 0.00 0.01 0.00 0.00 42.46 37.87 2nuy s ILE 139 CO 0.01 -0.79 0.99 -2.16 0.00 0.00 0.00 174.94 172.99 2nuy s PRO 140 N 3.45 3.91 0.46 2.79 0.04 -1.26 -4.94 135.00 139.46 2nuy s PRO 140 Ca 0.31 1.04 0.23 0.00 0.04 0.00 0.00 61.00 62.63 2nuy s PRO 140 Cb -0.12 -2.13 1.24 0.00 0.04 0.00 0.00 34.50 33.54 2nuy s PRO 140 CO 0.23 -0.31 1.85 -1.35 0.04 0.00 0.00 177.00 177.46 2nuy h PRO 141 N 1.08 0.24 -0.97 0.56 0.11 -1.96 -2.13 132.00 128.93 2nuy h PRO 141 Ca -0.47 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.74 2nuy h PRO 141 Cb 1.19 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.17 2nuy h PRO 141 CO 0.61 0.16 0.62 0.66 -0.21 0.00 0.00 178.00 179.83 2nuy h SER 142 N 0.25 0.87 0.24 -2.05 4.64 -1.97 -0.78 113.55 114.75 2nuy h SER 142 Ca 0.48 0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 61.69 2nuy h SER 142 Cb 1.47 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 2nuy h SER 142 CO -0.14 0.46 -0.61 0.40 -0.87 0.00 0.00 176.83 176.07 2nuy h ILE 143 N 0.93 1.36 0.00 0.95 1.08 -1.76 -3.26 117.51 116.81 2nuy h ILE 143 Ca 0.48 -1.95 -0.02 0.00 -0.39 0.00 0.00 64.86 62.98 2nuy h ILE 143 Cb 0.53 1.95 -0.00 0.00 -3.07 0.00 0.00 36.82 36.23 2nuy h ILE 143 CO -0.25 0.59 -0.11 -0.07 -0.69 0.00 0.00 178.15 177.63 2nuy h LEU 144 N 0.27 0.00 -2.21 1.44 4.07 -1.20 -3.32 115.31 114.36 2nuy h LEU 144 Ca -0.01 0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.98 2nuy h LEU 144 Cb 1.14 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.88 2nuy h LEU 144 CO 0.10 0.11 0.09 0.11 -1.08 0.00 0.00 178.44 177.76 2nuy h LYS 145 N 0.00 0.00 0.00 1.13 1.57 -1.33 -2.56 116.57 115.38 2nuy h LYS 145 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2nuy h LYS 145 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2nuy h LYS 145 CO 0.01 0.00 -1.07 -1.13 -0.57 0.00 0.00 179.45 176.69 2nuy n SER 146 N -4.11 0.73 -4.89 0.86 3.41 -1.25 -4.95 113.62 103.41 2nuy n SER 146 Ca -0.01 0.23 -0.29 0.00 -0.26 0.00 0.00 58.87 58.55 2nuy n SER 146 Cb 0.19 0.61 -0.02 0.00 -0.26 0.00 0.00 64.21 64.73 2nuy n SER 146 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2nuy s LEU 147 N -5.06 3.86 -1.45 1.04 1.43 -0.96 -4.98 118.68 112.55 2nuy s LEU 147 Ca -0.00 0.92 -0.10 0.00 -1.03 0.00 0.00 54.13 53.92 2nuy s LEU 147 Cb 0.11 -3.80 0.04 0.00 0.03 0.00 0.00 46.19 42.56 2nuy s LEU 147 CO 0.80 -0.37 2.46 -0.81 0.23 0.00 0.00 176.35 178.65 2nuy n PRO 148 N -1.44 3.72 -2.66 1.29 -0.04 -1.26 -4.96 135.00 129.65 2nuy n PRO 148 Ca 0.00 -2.84 -0.42 0.00 -0.04 0.00 0.00 63.50 60.21 2nuy n PRO 148 Cb 0.54 -2.89 -0.04 0.00 -0.04 0.00 0.00 33.50 31.07 2nuy n PRO 148 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2nuy s VAL 149 N 1.26 4.54 -0.10 0.52 1.01 -1.26 -3.73 120.40 122.64 2nuy s VAL 149 Ca 0.55 1.94 0.09 0.00 0.00 0.00 0.00 61.98 64.57 2nuy s VAL 149 Cb 0.16 -4.24 -0.13 0.00 0.00 0.00 0.00 36.38 32.16 2nuy s VAL 149 CO -0.06 0.22 0.04 0.29 0.00 0.00 0.00 175.10 175.59 2nuy n LYS 150 N 3.38 2.23 -3.93 2.72 4.76 -0.50 -4.77 118.16 122.06 2nuy n LYS 150 Ca 0.05 -0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.39 2nuy n LYS 150 Cb 0.49 -1.27 -0.09 0.00 -1.84 0.00 0.00 35.03 32.32 2nuy n LYS 150 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2nuy s GLY 151 N -4.29 0.18 -0.04 0.72 0.00 -1.05 -1.15 107.32 101.69 2nuy s GLY 151 Ca -0.05 -0.59 -0.01 0.00 0.00 0.00 0.00 44.72 44.07 2nuy s GLY 151 CO 0.44 -0.73 0.03 -0.42 0.00 0.00 0.00 173.10 172.41 2nuy s ILE 152 N -2.87 0.09 -0.32 0.90 1.01 0.03 -0.57 121.20 119.47 2nuy s ILE 152 Ca -0.03 0.25 -0.14 0.00 0.00 0.00 0.00 60.65 60.73 2nuy s ILE 152 Cb 0.00 -0.27 -0.02 0.00 0.01 0.00 0.00 42.46 42.18 2nuy s ILE 152 CO -0.06 0.18 0.32 -0.75 0.00 0.00 0.00 174.94 174.64 2nuy s LYS 153 N 1.76 3.71 -0.33 2.79 2.20 0.08 -0.92 119.74 129.03 2nuy s LYS 153 Ca 0.00 -0.34 -0.03 0.00 -0.36 0.00 0.00 55.97 55.24 2nuy s LYS 153 Cb -0.13 -3.75 0.06 0.00 -1.51 0.00 0.00 37.83 32.50 2nuy s LYS 153 CO -0.03 -0.40 0.07 0.34 -0.36 0.00 0.00 175.35 174.96 2nuy s ASP 154 N 1.72 5.09 -0.61 1.43 2.15 0.24 -0.78 116.67 125.91 2nuy s ASP 154 Ca 0.11 -1.37 -0.19 0.00 0.43 0.00 0.00 52.55 51.53 2nuy s ASP 154 Cb -0.16 -1.78 0.11 0.00 -0.30 0.00 0.00 42.92 40.78 2nuy s ASP 154 CO 0.11 -0.33 0.71 -0.89 -0.17 0.00 0.00 175.17 174.60 2nuy s THR 155 N 1.28 4.87 -0.23 1.71 2.01 -0.05 -1.13 115.64 124.10 2nuy s THR 155 Ca -0.02 -1.10 -0.18 0.00 0.31 0.00 0.00 61.69 60.71 2nuy s THR 155 Cb -0.20 -4.49 0.06 0.00 0.01 0.00 0.00 72.50 67.88 2nuy s THR 155 CO -0.00 -1.12 0.59 0.21 -0.69 0.00 0.00 174.62 173.61 2nuy s ASN 156 N 3.58 -0.70 0.00 3.53 3.84 -1.26 -4.41 114.94 119.52 2nuy s ASN 156 Ca 0.12 1.24 0.23 0.00 0.21 0.00 0.00 52.86 54.66 2nuy s ASN 156 Cb -0.23 1.20 1.02 0.00 -0.55 0.00 0.00 41.25 42.68 2nuy s ASN 156 CO 0.05 -0.21 1.74 0.00 -2.79 0.00 0.00 177.10 175.88 2nuy n GLN 157 N 3.42 0.07 -3.15 0.43 1.13 -1.26 -4.57 117.38 113.45 2nuy n GLN 157 Ca -0.17 0.10 -0.44 0.00 -1.94 0.00 0.00 57.00 54.55 2nuy n GLN 157 Cb 0.57 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.36 2nuy n GLN 157 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2nuy s ASP 158 N -2.91 6.19 0.53 1.08 -1.08 -1.26 -4.93 116.67 114.29 2nuy s ASP 158 Ca 0.13 -1.28 0.19 0.00 -0.52 0.00 0.00 52.55 51.07 2nuy s ASP 158 Cb 0.15 -2.29 1.38 0.00 -1.46 0.00 0.00 42.92 40.71 2nuy s ASP 158 CO 0.40 -1.01 2.16 -0.07 0.52 0.00 0.00 175.17 177.18 2nuy h LEU 159 N 9.77 0.00 -1.72 -1.34 3.38 -2.01 -1.07 115.31 122.31 2nuy h LEU 159 Ca -0.29 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 2nuy h LEU 159 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2nuy h LEU 159 CO 1.04 0.00 -0.16 0.00 0.09 0.00 0.00 178.44 179.42 2nuy h ALA 160 N 1.98 1.67 -0.37 1.53 0.00 -1.97 -1.14 119.26 120.96 2nuy h ALA 160 Ca 0.02 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2nuy h ALA 160 Cb 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2nuy h ALA 160 CO -0.00 0.20 -0.22 1.25 0.00 0.00 0.00 179.25 180.48 2nuy h HIS 161 N 0.00 0.93 -0.63 0.00 -0.00 -1.61 -0.95 115.15 112.89 2nuy h HIS 161 Ca -0.00 -0.24 -0.08 0.00 -0.00 0.00 0.00 60.37 60.04 2nuy h HIS 161 Cb 0.29 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.47 2nuy h HIS 161 CO 0.00 1.00 0.07 0.77 -0.00 0.00 0.00 177.93 179.77 2nuy h SER 162 N 0.59 1.03 0.38 3.26 0.02 -1.43 -2.86 113.55 114.54 2nuy h SER 162 Ca 0.08 -0.28 -0.08 0.00 -0.84 0.00 0.00 61.79 60.67 2nuy h SER 162 Cb 0.78 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 2nuy h SER 162 CO 0.06 1.05 -0.39 0.25 -1.14 0.00 0.00 176.83 176.67 2nuy h LEU 163 N 0.98 0.02 -0.80 5.07 5.85 -1.13 -2.78 115.31 122.51 2nuy h LEU 163 Ca 0.19 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.94 2nuy h LEU 163 Cb 0.48 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 2nuy h LEU 163 CO 0.02 0.40 0.50 -0.08 -0.34 0.00 0.00 178.44 178.94 2nuy h GLU 164 N 0.01 0.92 -0.33 1.25 4.57 -0.93 -1.46 114.58 118.61 2nuy h GLU 164 Ca -0.00 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 2nuy h GLU 164 Cb 0.69 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 2nuy h GLU 164 CO 0.05 0.61 0.17 1.88 -1.18 0.00 0.00 179.01 180.54 2nuy h TYR 165 N 0.95 0.47 -0.35 0.92 0.05 -1.48 -1.00 116.97 116.54 2nuy h TYR 165 Ca 0.33 -0.02 0.08 0.00 0.05 0.00 0.00 58.73 59.17 2nuy h TYR 165 Cb 0.08 -0.15 -0.08 0.00 1.01 0.00 0.00 36.73 37.59 2nuy h TYR 165 CO -0.03 0.40 -0.19 0.87 -1.05 0.00 0.00 178.16 178.16 2nuy h LYS 166 N 0.41 -0.13 -0.71 4.88 1.79 -1.40 -0.21 116.57 121.19 2nuy h LYS 166 Ca 0.12 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.56 2nuy h LYS 166 Cb 0.10 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 2nuy h LYS 166 CO -0.02 -0.09 0.31 -0.07 -1.08 0.00 0.00 179.45 178.50 2nuy h LEU 167 N -0.14 0.95 -0.06 2.94 4.07 -1.06 -3.27 115.31 118.74 2nuy h LEU 167 Ca 0.18 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2nuy h LEU 167 Cb 0.41 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.90 2nuy h LEU 167 CO -0.43 0.85 -0.57 0.59 -1.08 0.00 0.00 178.44 177.79 2nuy n ASN 168 N -4.39 0.67 -3.65 -0.43 4.13 -0.40 -4.63 115.26 106.56 2nuy n ASN 168 Ca 0.06 -0.47 -0.29 0.00 1.68 0.00 0.00 54.58 55.55 2nuy n ASN 168 Cb 0.16 0.39 -0.12 0.00 -1.54 0.00 0.00 39.78 38.66 2nuy n ASN 168 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2nuy s LEU 169 N -2.95 2.42 0.29 3.41 1.43 -0.12 -4.99 118.68 118.18 2nuy s LEU 169 Ca 0.12 -2.70 -0.30 0.00 -1.03 0.00 0.00 54.13 50.21 2nuy s LEU 169 Cb 0.17 -0.91 -0.11 0.00 0.03 0.00 0.00 46.19 45.37 2nuy s LEU 169 CO 0.71 -0.25 1.61 -2.84 0.23 0.00 0.00 176.35 175.82 2nuy s PRO 170 N 0.29 4.11 0.00 1.29 0.02 -1.26 -2.62 135.00 136.84 2nuy s PRO 170 Ca 0.20 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.82 2nuy s PRO 170 Cb -0.19 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.31 2nuy s PRO 170 CO -0.03 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.39 2nuy n GLY 171 N 2.25 1.68 3.77 0.52 0.00 -1.26 -5.02 105.19 107.12 2nuy n GLY 171 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 2nuy n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nuy s VAL 172 N -3.12 4.63 -0.13 1.61 1.01 -1.08 -4.97 120.40 118.36 2nuy s VAL 172 Ca 0.00 1.54 -0.23 0.00 0.00 0.00 0.00 61.98 63.30 2nuy s VAL 172 Cb 0.00 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2nuy s VAL 172 CO 0.00 0.46 0.70 -0.54 0.00 0.00 0.00 175.10 175.71 2nuy s LYS 173 N -0.61 4.34 -0.08 2.72 1.02 -0.30 -4.87 119.74 121.97 2nuy s LYS 173 Ca 0.35 0.81 0.04 0.00 0.02 0.00 0.00 55.97 57.19 2nuy s LYS 173 Cb -0.21 -3.51 -0.01 0.00 -0.52 0.00 0.00 37.83 33.58 2nuy s LYS 173 CO 0.23 -0.10 -0.21 0.08 -0.92 0.00 0.00 175.35 174.43 2nuy s VAL 174 N 1.37 2.40 -0.05 3.17 1.01 -1.26 -0.79 120.40 126.26 2nuy s VAL 174 Ca 0.35 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.42 2nuy s VAL 174 Cb -0.17 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.30 2nuy s VAL 174 CO 0.14 0.56 -0.10 -0.31 0.00 0.00 0.00 175.10 175.39 2nuy s TYR 175 N -0.02 1.18 0.12 5.22 2.02 -0.09 -1.41 117.35 124.37 2nuy s TYR 175 Ca -0.07 -0.37 -0.20 0.00 -0.37 0.00 0.00 57.07 56.06 2nuy s TYR 175 Cb -0.15 -0.87 -0.07 0.00 -0.40 0.00 0.00 41.96 40.47 2nuy s TYR 175 CO 0.05 -0.19 0.63 1.21 -1.57 0.00 0.00 175.55 175.67 2nuy s ASN 176 N 0.51 7.10 -0.23 2.29 3.84 -1.17 -0.59 114.94 126.68 2nuy s ASN 176 Ca -0.10 1.34 0.15 0.00 0.21 0.00 0.00 52.86 54.46 2nuy s ASN 176 Cb -0.13 -2.39 0.77 0.00 -0.55 0.00 0.00 41.25 38.95 2nuy s ASN 176 CO 0.02 0.21 1.69 0.61 -2.79 0.00 0.00 177.10 176.84 2nuy n GLY 177 N 1.45 3.21 3.57 1.21 0.00 -0.28 -2.01 105.19 112.34 2nuy n GLY 177 Ca -0.08 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 2nuy n GLY 177 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2nuy s SER 178 N -1.01 5.27 0.45 1.61 0.15 -1.26 -4.69 113.70 114.22 2nuy s SER 178 Ca 0.53 -0.01 0.12 0.00 0.70 0.00 0.00 55.95 57.29 2nuy s SER 178 Cb 0.40 -1.89 1.00 0.00 -1.71 0.00 0.00 66.02 63.83 2nuy s SER 178 CO 0.15 0.17 2.03 0.78 1.20 0.00 0.00 173.24 177.56 2nuy h ASN 179 N 6.72 0.13 0.02 5.45 2.35 -1.92 -2.91 115.58 125.41 2nuy h ASN 179 Ca -0.34 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 2nuy h ASN 179 Cb 1.18 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.51 2nuy h ASN 179 CO 0.67 0.21 -0.00 0.35 -1.65 0.00 0.00 177.43 177.00 2nuy n THR 180 N -4.40 0.00 -0.16 2.81 -2.24 -1.26 -3.56 114.28 105.46 2nuy n THR 180 Ca -0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2nuy n THR 180 Cb 0.18 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 2nuy n THR 180 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2nuy n LEU 181 N -0.71 1.47 -0.27 3.22 4.77 -1.10 -4.86 117.00 119.51 2nuy n LEU 181 Ca 0.22 -1.47 -0.01 0.00 -0.03 0.00 0.00 56.01 54.71 2nuy n LEU 181 Cb 0.18 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.31 2nuy n LEU 181 CO 0.18 0.37 0.64 0.40 -1.33 0.00 0.00 177.39 177.65 2nuy h ILE 182 N 0.42 0.14 -0.55 -0.08 2.04 -1.61 -0.97 117.51 116.89 2nuy h ILE 182 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.97 2nuy h ILE 182 Cb 0.46 0.14 -0.09 0.00 -0.74 0.00 0.00 36.82 36.59 2nuy h ILE 182 CO 0.00 0.00 -0.02 0.22 0.00 0.00 0.00 178.15 178.35 2nuy h TYR 183 N -0.07 -0.07 -0.37 1.37 5.03 -1.89 -0.61 116.97 120.36 2nuy h TYR 183 Ca 0.31 0.04 -0.12 0.00 2.58 0.00 0.00 58.73 61.54 2nuy h TYR 183 Cb 0.58 0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.96 2nuy h TYR 183 CO -0.69 -0.15 -0.26 1.88 -1.32 0.00 0.00 178.16 177.61 2nuy h TYR 184 N 0.10 0.88 -0.47 -3.82 0.05 -1.60 -3.01 116.97 109.10 2nuy h TYR 184 Ca 0.28 -0.21 -0.06 0.00 0.05 0.00 0.00 58.73 58.79 2nuy h TYR 184 Cb 0.44 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 2nuy h TYR 184 CO -0.35 0.94 0.06 0.77 -1.05 0.00 0.00 178.16 178.53 2nuy h SER 185 N 0.66 0.76 0.30 3.88 0.02 -0.50 -2.06 113.55 116.60 2nuy h SER 185 Ca 0.08 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2nuy h SER 185 Cb 0.78 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2nuy h SER 185 CO 0.06 0.84 0.00 0.18 -1.14 0.00 0.00 176.83 176.77 2nuy n LEU 186 N -4.43 0.00 -0.55 5.07 4.77 -0.31 -0.82 117.00 120.74 2nuy n LEU 186 Ca 0.01 0.42 0.06 0.00 -0.03 0.00 0.00 56.01 56.47 2nuy n LEU 186 Cb 0.26 -0.42 0.09 0.00 -2.33 0.00 0.00 43.42 41.02 2nuy n LEU 186 CO 0.40 -0.27 0.51 0.18 -1.33 0.00 0.00 177.39 176.88 2nuy n LEU 187 N -1.42 2.34 0.00 2.23 4.77 -0.80 -4.83 117.00 119.29 2nuy n LEU 187 Ca 0.03 -1.35 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 2nuy n LEU 187 Cb 0.11 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2nuy n LEU 187 CO 0.09 0.51 0.00 -1.54 -1.33 0.00 0.00 177.39 175.12 2nuy n SER 188 N 0.64 0.00 -0.98 -1.43 3.41 -0.91 -5.08 113.62 109.27 2nuy n SER 188 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2nuy n SER 188 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 2nuy n SER 188 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2nuy n LEU 189 N -0.61 0.00 -0.23 1.04 4.77 -0.00 -5.04 117.00 116.93 2nuy n LEU 189 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2nuy n LEU 189 Cb 0.00 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.27 2nuy n LEU 189 CO 0.00 -0.20 0.42 0.47 -1.33 0.00 0.00 177.39 176.75 2nuy n ASP 190 N -1.30 1.19 0.00 -1.43 8.00 -0.50 -4.85 116.55 117.66 2nuy n ASP 190 Ca 0.00 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.54 2nuy n ASP 190 Cb 0.00 0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 2nuy n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nuy n GLY 191 N 1.42 -0.71 3.01 0.44 0.00 -1.24 -1.55 105.19 106.56 2nuy n GLY 191 Ca 0.09 -1.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 2nuy n GLY 191 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nuy s VAL 192 N -2.94 0.21 -0.50 1.61 -7.23 -0.59 -3.07 120.40 107.90 2nuy s VAL 192 Ca 0.00 -1.01 0.04 0.00 -1.81 0.00 0.00 61.98 59.19 2nuy s VAL 192 Cb 0.00 -0.43 0.13 0.00 0.56 0.00 0.00 36.38 36.64 2nuy s VAL 192 CO 0.00 -0.51 0.24 -0.69 -0.31 0.00 0.00 175.10 173.83 2nuy s VAL 193 N -1.63 2.42 -0.15 1.32 1.01 -0.85 -0.66 120.40 121.87 2nuy s VAL 193 Ca -0.13 -3.16 -0.01 0.00 0.00 0.00 0.00 61.98 58.67 2nuy s VAL 193 Cb -0.09 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 2nuy s VAL 193 CO -0.01 -0.80 -0.10 0.00 0.00 0.00 0.00 175.10 174.19 2nuy s ALA 194 N -0.13 2.73 0.56 5.51 0.00 -1.11 -4.22 121.76 125.10 2nuy s ALA 194 Ca 0.17 -0.90 0.29 0.00 0.00 0.00 0.00 51.96 51.52 2nuy s ALA 194 Cb -0.25 -1.34 1.76 0.00 0.00 0.00 0.00 23.12 23.28 2nuy s ALA 194 CO -0.01 0.17 2.23 0.66 0.00 0.00 0.00 175.76 178.81 2nuy h SER 195 N 6.86 0.00 0.66 0.00 4.64 -1.89 -2.30 113.55 121.51 2nuy h SER 195 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2nuy h SER 195 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2nuy h SER 195 CO 0.58 0.02 0.00 0.49 -0.87 0.00 0.00 176.83 177.05 2nuy n PHE 196 N -3.81 0.15 0.30 4.77 3.01 -1.26 -2.57 117.46 118.05 2nuy n PHE 196 Ca -0.03 0.06 0.17 0.00 1.01 0.00 0.00 57.45 58.66 2nuy n PHE 196 Cb 0.11 -0.59 0.95 0.00 -0.01 0.00 0.00 39.48 39.94 2nuy n PHE 196 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 2nuy h THR 197 N 0.00 0.37 -0.58 4.37 1.35 -1.70 0.17 112.91 116.90 2nuy h THR 197 Ca 0.00 -0.13 -0.00 0.00 -0.55 0.00 0.00 66.41 65.72 2nuy h THR 197 Cb 0.33 1.09 -0.03 0.00 -1.73 0.00 0.00 68.15 67.81 2nuy h THR 197 CO 0.00 0.03 0.35 0.78 -0.25 0.00 0.00 175.52 176.43 2nuy h ASN 198 N 0.00 0.68 0.00 5.36 2.35 -1.73 -3.20 115.58 119.04 2nuy h ASN 198 Ca -0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2nuy h ASN 198 Cb 0.09 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.29 2nuy h ASN 198 CO 0.00 0.52 -0.95 2.22 -1.65 0.00 0.00 177.43 177.57 2nuy n PHE 199 N -4.42 0.00 -2.79 1.19 1.16 -0.78 -4.79 117.46 107.02 2nuy n PHE 199 Ca 0.05 0.00 -0.23 0.00 -1.87 0.00 0.00 57.45 55.41 2nuy n PHE 199 Cb 0.07 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 37.92 2nuy n PHE 199 CO 0.00 0.00 0.00 0.44 -1.87 0.00 0.00 176.76 175.33 2nuy n ILE 200 N -1.62 1.99 -0.12 1.97 -5.35 -0.02 -4.68 119.36 111.53 2nuy n ILE 200 Ca 0.00 -4.82 -0.08 0.00 -0.27 0.00 0.00 62.75 57.58 2nuy n ILE 200 Cb 0.19 -0.85 -0.00 0.00 -1.74 0.00 0.00 39.64 37.23 2nuy n ILE 200 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2nuy h PRO 201 N 2.86 0.52 -0.30 6.28 0.13 -1.70 -2.26 132.00 137.52 2nuy h PRO 201 Ca 0.15 -0.04 0.07 0.00 -0.87 0.00 0.00 66.00 65.30 2nuy h PRO 201 Cb 0.82 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 2nuy h PRO 201 CO 0.73 0.38 0.21 1.05 -0.23 0.00 0.00 178.00 180.14 2nuy h GLU 202 N 0.51 0.08 -0.08 0.86 9.09 -1.90 -0.86 114.58 122.28 2nuy h GLU 202 Ca 0.14 -0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.53 2nuy h GLU 202 Cb -0.01 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 27.07 2nuy h GLU 202 CO -0.03 0.05 0.00 0.28 0.05 0.00 0.00 179.01 179.37 2nuy h VAL 203 N 0.08 1.24 -0.40 -1.06 2.07 -1.80 -0.57 116.25 115.81 2nuy h VAL 203 Ca 0.14 -0.77 -0.11 0.00 0.82 0.00 0.00 66.70 66.79 2nuy h VAL 203 Cb 0.45 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 2nuy h VAL 203 CO -0.01 0.21 -0.19 0.40 0.02 0.00 0.00 177.57 178.00 2nuy h ILE 204 N -0.13 1.27 -0.36 4.57 2.04 -1.24 -0.77 117.51 122.89 2nuy h ILE 204 Ca 0.02 -1.29 -0.09 0.00 1.00 0.00 0.00 64.86 64.50 2nuy h ILE 204 Cb 0.33 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2nuy h ILE 204 CO 0.00 0.43 -0.16 0.58 0.00 0.00 0.00 178.15 179.01 2nuy h VAL 205 N 0.67 1.26 -0.38 1.67 2.07 -1.17 -2.69 116.25 117.68 2nuy h VAL 205 Ca 0.10 -1.18 -0.12 0.00 0.82 0.00 0.00 66.70 66.32 2nuy h VAL 205 Cb 0.69 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2nuy h VAL 205 CO 0.05 0.39 -0.23 0.50 0.02 0.00 0.00 177.57 178.30 2nuy h LYS 206 N 0.58 0.76 -0.27 1.57 1.63 -0.62 -1.90 116.57 118.34 2nuy h LYS 206 Ca 0.10 -0.31 0.03 0.00 -0.85 0.00 0.00 60.65 59.61 2nuy h LYS 206 Cb 0.60 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.17 2nuy h LYS 206 CO 0.04 0.92 0.10 1.96 -3.45 0.00 0.00 179.45 179.02 2nuy h GLN 207 N 0.67 0.22 -0.60 1.90 4.20 -0.86 0.77 115.11 121.40 2nuy h GLN 207 Ca 0.09 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2nuy h GLN 207 Cb 0.74 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.44 2nuy h GLN 207 CO 0.06 0.14 0.32 -0.09 -0.67 0.00 0.00 178.83 178.59 2nuy h ARG 208 N 0.22 0.85 -0.54 1.46 2.43 -1.25 -1.16 114.38 116.39 2nuy h ARG 208 Ca 0.12 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 2nuy h ARG 208 Cb 0.08 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2nuy h ARG 208 CO -0.11 0.66 0.09 -0.44 -1.51 0.00 0.00 179.97 178.66 2nuy h ASP 209 N 0.82 0.85 -0.54 -3.80 5.19 -1.11 -0.91 116.42 116.92 2nuy h ASP 209 Ca 0.21 -0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2nuy h ASP 209 Cb 0.06 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.32 2nuy h ASP 209 CO -0.03 0.89 0.35 -0.07 -3.12 0.00 0.00 179.24 177.26 2nuy h LEU 210 N 0.77 0.62 -0.80 1.55 3.38 -0.63 -2.03 115.31 118.17 2nuy h LEU 210 Ca 0.16 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2nuy h LEU 210 Cb 0.40 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 2nuy h LEU 210 CO 0.01 0.45 0.48 0.40 0.09 0.00 0.00 178.44 179.88 2nuy h ILE 211 N 0.73 1.22 0.00 1.22 2.04 -0.96 0.74 117.51 122.50 2nuy h ILE 211 Ca 0.20 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2nuy h ILE 211 Cb -0.08 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.10 2nuy h ILE 211 CO -0.04 0.23 -0.16 0.50 0.00 0.00 0.00 178.15 178.68 2nuy h LYS 212 N 1.10 0.00 -0.01 2.37 3.64 -0.74 -0.43 116.57 122.50 2nuy h LYS 212 Ca 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2nuy h LYS 212 Cb -0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2nuy h LYS 212 CO -0.05 0.16 -0.12 1.04 -2.27 0.00 0.00 179.45 178.20 2nuy n GLN 213 N -3.68 1.08 -0.76 1.90 6.02 -0.79 -4.93 117.38 116.22 2nuy n GLN 213 Ca -0.02 -0.55 0.00 0.00 -0.01 0.00 0.00 57.00 56.43 2nuy n GLN 213 Cb 0.28 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.05 2nuy n GLN 213 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nuy n GLY 214 N 1.25 0.65 2.89 1.08 0.00 -0.17 -4.98 105.19 105.91 2nuy n GLY 214 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2nuy n GLY 214 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nuy n LYS 215 N -2.66 3.97 -0.18 1.61 5.02 0.19 -4.78 118.16 121.32 2nuy n LYS 215 Ca 0.00 -3.87 -0.09 0.00 -2.02 0.00 0.00 58.31 52.33 2nuy n LYS 215 Cb 0.00 -2.77 0.01 0.00 -0.02 0.00 0.00 35.03 32.25 2nuy n LYS 215 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2nuy h LEU 216 N 6.94 0.77 -0.84 -0.35 3.38 -1.88 -2.83 115.31 120.50 2nuy h LEU 216 Ca 0.34 -0.23 0.14 0.00 0.09 0.00 0.00 57.88 58.23 2nuy h LEU 216 Cb 0.61 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.06 2nuy h LEU 216 CO 1.53 0.79 0.43 0.44 0.09 0.00 0.00 178.44 181.72 2nuy h ASP 217 N 0.70 0.51 -0.42 -0.43 3.32 -1.97 0.32 116.42 118.45 2nuy h ASP 217 Ca 0.16 0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.19 2nuy h ASP 217 Cb 0.32 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2nuy h ASP 217 CO 0.00 0.22 -0.15 0.44 -1.72 0.00 0.00 179.24 178.03 2nuy h ASP 218 N 0.62 0.90 -0.41 6.45 3.32 -1.94 -0.15 116.42 125.22 2nuy h ASP 218 Ca 0.45 -0.30 -0.15 0.00 0.02 0.00 0.00 57.03 57.05 2nuy h ASP 218 Cb 0.63 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2nuy h ASP 218 CO -0.36 1.05 -0.33 0.00 -1.72 0.00 0.00 179.24 177.88 2nuy h ALA 219 N 1.03 0.59 -0.43 3.45 0.00 -0.89 -2.28 119.26 120.73 2nuy h ALA 219 Ca 0.12 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 2nuy h ALA 219 Cb 0.68 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2nuy h ALA 219 CO 0.05 0.66 -0.07 1.25 0.00 0.00 0.00 179.25 181.14 2nuy h LEU 220 N 0.77 0.71 -0.68 0.00 5.85 -0.27 -1.32 115.31 120.38 2nuy h LEU 220 Ca 0.07 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 2nuy h LEU 220 Cb 0.92 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 2nuy h LEU 220 CO 0.09 0.83 0.38 -0.09 -0.34 0.00 0.00 178.44 179.30 2nuy h ARG 221 N 0.68 0.93 -0.20 1.25 9.65 -0.86 -1.63 114.38 124.20 2nuy h ARG 221 Ca 0.12 -0.10 -0.07 0.00 -1.10 0.00 0.00 59.98 58.84 2nuy h ARG 221 Cb 0.51 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 2nuy h ARG 221 CO 0.03 0.69 -0.16 -0.07 2.80 0.00 0.00 179.97 183.25 2nuy h LEU 222 N 0.92 0.33 -0.50 3.80 3.38 -0.81 -2.73 115.31 119.71 2nuy h LEU 222 Ca 0.24 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2nuy h LEU 222 Cb 0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2nuy h LEU 222 CO -0.04 0.52 0.11 -0.61 0.09 0.00 0.00 178.44 178.51 2nuy h GLN 223 N 0.32 0.80 -0.38 1.13 5.75 -0.49 -1.69 115.11 120.55 2nuy h GLN 223 Ca 0.06 -0.20 0.08 0.00 -0.15 0.00 0.00 58.65 58.44 2nuy h GLN 223 Cb 0.48 -0.10 -0.07 0.00 1.07 0.00 0.00 27.48 28.86 2nuy h GLN 223 CO 0.03 0.78 -0.08 0.93 -2.65 0.00 0.00 178.83 177.84 2nuy h GLU 224 N 0.69 0.02 -0.45 1.69 4.39 -1.02 0.71 114.58 120.60 2nuy h GLU 224 Ca 0.15 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 2nuy h GLU 224 Cb 0.35 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 2nuy h GLU 224 CO 0.00 0.01 0.27 -0.07 -1.16 0.00 0.00 179.01 178.07 2nuy h LEU 225 N 0.02 0.55 -0.69 1.33 3.38 -1.34 -1.28 115.31 117.28 2nuy h LEU 225 Ca 0.18 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.16 2nuy h LEU 225 Cb 0.28 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 2nuy h LEU 225 CO -0.38 0.44 0.38 0.40 0.09 0.00 0.00 178.44 179.38 2nuy h ILE 226 N 0.60 0.96 -0.09 1.22 2.04 -0.51 -1.38 117.51 120.35 2nuy h ILE 226 Ca 0.16 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 2nuy h ILE 226 Cb -0.00 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 2nuy h ILE 226 CO -0.03 0.13 -0.33 0.78 0.00 0.00 0.00 178.15 178.70 2nuy h ASN 227 N 0.70 0.17 -0.14 1.72 4.21 -0.37 -0.63 115.58 121.24 2nuy h ASN 227 Ca 0.31 -0.06 -0.13 0.00 1.21 0.00 0.00 56.30 57.63 2nuy h ASN 227 Cb 0.20 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.34 2nuy h ASN 227 CO -0.19 0.50 -0.34 0.03 -1.29 0.00 0.00 177.43 176.14 2nuy h ARG 228 N 0.15 0.65 -0.14 0.81 3.08 -0.64 -2.53 114.38 115.75 2nuy h ARG 228 Ca 0.02 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 2nuy h ARG 228 Cb 0.66 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2nuy h ARG 228 CO 0.05 0.89 0.06 -0.07 -1.07 0.00 0.00 179.97 179.83 2nuy h LEU 229 N 0.54 0.19 -0.81 3.04 3.38 -0.67 -2.84 115.31 118.14 2nuy h LEU 229 Ca 0.06 -0.15 0.14 0.00 0.09 0.00 0.00 57.88 58.02 2nuy h LEU 229 Cb 0.84 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.45 2nuy h LEU 229 CO 0.07 0.28 0.40 0.00 0.09 0.00 0.00 178.44 179.28 2nuy h ALA 230 N 0.91 1.19 -0.61 1.53 0.00 -0.98 -0.35 119.26 120.94 2nuy h ALA 230 Ca 0.05 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2nuy h ALA 230 Cb 0.15 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2nuy h ALA 230 CO -0.00 -0.10 0.40 -0.44 0.00 0.00 0.00 179.25 179.10 2nuy h ASP 231 N 0.59 0.69 -0.48 0.00 3.32 -1.27 -2.63 116.42 116.65 2nuy h ASP 231 Ca 0.43 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.40 2nuy h ASP 231 Cb 0.60 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 2nuy h ASP 231 CO -0.35 0.50 0.03 0.40 -1.72 0.00 0.00 179.24 178.09 2nuy h ILE 232 N 0.82 1.26 -0.71 0.35 2.04 -1.04 -3.22 117.51 117.01 2nuy h ILE 232 Ca 0.23 -1.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 2nuy h ILE 232 Cb -0.09 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2nuy h ILE 232 CO -0.05 0.36 0.30 -0.07 0.00 0.00 0.00 178.15 178.69 2nuy h LEU 233 N 0.69 0.94 -0.93 1.44 4.07 -0.86 -3.18 115.31 117.49 2nuy h LEU 233 Ca 0.14 -0.12 0.20 0.00 0.08 0.00 0.00 57.88 58.18 2nuy h LEU 233 Cb 0.47 -0.24 -0.17 0.00 1.08 0.00 0.00 40.66 41.79 2nuy h LEU 233 CO 0.02 0.83 -0.15 0.03 -1.08 0.00 0.00 178.44 178.08 2nuy h ARG 234 N 1.02 0.01 -0.21 1.13 -0.00 -1.49 -1.14 114.38 113.71 2nuy h ARG 234 Ca 0.24 -0.00 0.03 0.00 -0.50 0.00 0.00 59.98 59.75 2nuy h ARG 234 Cb 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.12 2nuy h ARG 234 CO -0.02 0.01 0.14 0.87 0.00 0.00 0.00 179.97 180.96 2nuy h LYS 235 N 0.01 0.17 0.00 0.04 1.57 -1.72 -2.60 116.57 114.04 2nuy h LYS 235 Ca 0.48 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 2nuy h LYS 235 Cb 0.81 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2nuy h LYS 235 CO -0.92 0.11 -1.12 0.66 -0.57 0.00 0.00 179.45 177.61 2nuy n TYR 236 N -4.50 0.25 -0.13 -1.35 4.01 -0.48 -5.03 117.16 109.92 2nuy n TYR 236 Ca 0.01 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 2nuy n TYR 236 Cb 0.16 -0.43 0.00 0.00 -0.31 0.00 0.00 39.34 38.76 2nuy n TYR 236 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2nuy n GLY 237 N 1.36 0.23 0.17 2.72 0.00 -0.90 -4.63 105.19 104.13 2nuy n GLY 237 Ca 0.01 -0.91 -0.04 0.00 0.00 0.00 0.00 46.02 45.08 2nuy n GLY 237 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2nuy h SER 238 N 0.00 -0.18 -0.22 1.61 0.87 -1.77 0.21 113.55 114.06 2nuy h SER 238 Ca 0.00 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 2nuy h SER 238 Cb 0.00 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2nuy h SER 238 CO 0.00 -0.05 -0.02 0.40 -0.53 0.00 0.00 176.83 176.63 2nuy h ILE 239 N 0.10 1.26 -0.91 2.23 2.04 -1.93 -2.37 117.51 117.93 2nuy h ILE 239 Ca 0.20 -0.94 0.03 0.00 1.00 0.00 0.00 64.86 65.15 2nuy h ILE 239 Cb 0.28 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 2nuy h ILE 239 CO -0.34 0.29 0.60 0.28 0.00 0.00 0.00 178.15 178.98 2nuy h SER 240 N 0.16 1.01 -0.21 1.72 0.02 -1.81 -2.19 113.55 112.25 2nuy h SER 240 Ca 0.06 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 2nuy h SER 240 Cb 0.44 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2nuy h SER 240 CO 0.01 0.71 0.02 0.00 -1.14 0.00 0.00 176.83 176.43 2nuy h ALA 241 N 1.36 1.45 -0.99 3.77 0.00 -0.76 -2.97 119.26 121.12 2nuy h ALA 241 Ca 0.35 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.13 2nuy h ALA 241 Cb -0.05 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 2nuy h ALA 241 CO -0.10 0.39 0.65 0.82 0.00 0.00 0.00 179.25 181.01 2nuy h ILE 242 N 0.46 1.16 -0.93 0.00 2.04 -0.86 -1.76 117.51 117.62 2nuy h ILE 242 Ca 0.10 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.57 2nuy h ILE 242 Cb 0.28 -0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.11 2nuy h ILE 242 CO 0.01 0.23 0.60 1.88 0.00 0.00 0.00 178.15 180.87 2nuy h TYR 243 N 1.24 1.13 -0.29 1.37 -1.99 -1.53 0.89 116.97 117.80 2nuy h TYR 243 Ca 0.40 0.03 -0.17 0.00 2.00 0.00 0.00 58.73 60.99 2nuy h TYR 243 Cb 0.03 -0.38 -0.00 0.00 2.00 0.00 0.00 36.73 38.38 2nuy h TYR 243 CO -0.00 0.66 -0.50 0.28 -0.00 0.00 0.00 178.16 178.60 2nuy h VAL 244 N 1.18 1.28 -0.00 -2.88 2.07 -1.50 -3.19 116.25 113.21 2nuy h VAL 244 Ca 0.37 -1.69 -0.14 0.00 0.82 0.00 0.00 66.70 66.06 2nuy h VAL 244 Cb -0.01 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2nuy h VAL 244 CO -0.12 0.55 -0.64 -0.07 0.02 0.00 0.00 177.57 177.31 2nuy h LEU 245 N 0.63 0.01 -0.65 2.57 3.38 -0.85 -2.47 115.31 117.94 2nuy h LEU 245 Ca 0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2nuy h LEU 245 Cb 1.08 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 2nuy h LEU 245 CO 0.11 0.65 0.40 0.58 0.09 0.00 0.00 178.44 180.26 2nuy h VAL 246 N 0.01 1.19 0.02 1.22 2.07 -0.83 0.68 116.25 120.60 2nuy h VAL 246 Ca -0.01 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 2nuy h VAL 246 Cb 1.14 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2nuy h VAL 246 CO 0.08 0.19 -0.01 -1.13 0.02 0.00 0.00 177.57 176.73 2nuy h ASN 247 N 0.88 -0.02 -0.03 0.57 -0.73 -1.53 0.64 115.58 115.36 2nuy h ASN 247 Ca 0.23 -0.21 0.02 0.00 1.87 0.00 0.00 56.30 58.21 2nuy h ASN 247 Cb -0.04 0.01 -0.04 0.00 0.27 0.00 0.00 38.32 38.52 2nuy h ASN 247 CO -0.04 0.19 -0.38 -0.33 -0.37 0.00 0.00 177.43 176.50 2nuy h GLU 248 N -0.24 -0.44 -0.04 6.67 4.39 -1.19 -1.27 114.58 122.47 2nuy h GLU 248 Ca -0.00 0.03 -0.21 0.00 0.34 0.00 0.00 59.36 59.51 2nuy h GLU 248 Cb 0.23 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2nuy h GLU 248 CO 0.00 -0.29 -0.87 0.74 -1.16 0.00 0.00 179.01 177.44 2nuy h PHE 249 N -0.45 0.64 0.00 4.33 -1.00 -0.91 -3.37 116.94 116.17 2nuy h PHE 249 Ca 0.01 -0.32 0.00 0.00 2.81 0.00 0.00 57.97 60.47 2nuy h PHE 249 Cb 0.50 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.97 2nuy h PHE 249 CO -0.49 1.13 -1.57 1.04 -1.61 0.00 0.00 178.31 176.80 2nuy n GLN 250 N -3.79 0.66 -0.54 1.51 1.13 0.22 -5.03 117.38 111.54 2nuy n GLN 250 Ca -0.06 -0.12 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 2nuy n GLN 250 Cb 0.79 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.71 2nuy n GLN 250 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2nuy n GLY 251 N 1.42 0.76 3.27 1.08 0.00 -0.48 -5.02 105.19 106.22 2nuy n GLY 251 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 2nuy n GLY 251 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2nuy s TYR 252 N -2.82 1.48 -0.17 1.61 -0.85 -1.26 -5.04 117.35 110.30 2nuy s TYR 252 Ca 0.00 -0.57 -0.21 0.00 -0.52 0.00 0.00 57.07 55.77 2nuy s TYR 252 Cb 0.00 -0.75 -0.03 0.00 0.38 0.00 0.00 41.96 41.56 2nuy s TYR 252 CO 0.00 0.19 0.65 0.34 -1.52 0.00 0.00 175.55 175.21 2nuy s ASP 253 N -2.68 6.75 -0.18 -0.18 2.15 -1.26 -3.74 116.67 117.53 2nuy s ASP 253 Ca 0.12 0.91 0.17 0.00 0.43 0.00 0.00 52.55 54.18 2nuy s ASP 253 Cb -0.04 -2.36 0.55 0.00 -0.30 0.00 0.00 42.92 40.77 2nuy s ASP 253 CO 0.04 -0.25 1.44 1.33 -0.17 0.00 0.00 175.17 177.56 2nuy n VAL 254 N 4.51 2.33 -2.89 1.11 0.24 -1.26 -4.90 118.33 117.46 2nuy n VAL 254 Ca -0.01 -1.86 0.00 0.00 -2.04 0.00 0.00 64.34 60.43 2nuy n VAL 254 Cb 0.50 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 2nuy n VAL 254 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2nuy n GLY 255 N -0.45 1.68 3.14 7.63 0.00 -1.26 -4.06 105.19 111.87 2nuy n GLY 255 Ca 0.22 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 2nuy n GLY 255 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nuy s TYR 256 N 0.00 0.84 1.08 1.61 2.02 -0.05 -4.84 117.35 118.02 2nuy s TYR 256 Ca 0.00 -0.76 -0.17 0.00 -0.37 0.00 0.00 57.07 55.77 2nuy s TYR 256 Cb 0.00 -0.49 0.23 0.00 -0.40 0.00 0.00 41.96 41.31 2nuy s TYR 256 CO 0.00 -0.11 1.18 -1.25 -1.57 0.00 0.00 175.55 173.80 2nuy s PRO 257 N -3.04 -0.24 -0.17 -1.71 0.04 -1.26 -2.61 135.00 126.00 2nuy s PRO 257 Ca 0.05 -0.10 -0.00 0.00 0.04 0.00 0.00 61.00 60.99 2nuy s PRO 257 Cb -0.00 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.83 2nuy s PRO 257 CO -0.03 -3.06 -0.15 0.50 0.04 0.00 0.00 177.00 174.31 2nuy s ARG 258 N -5.52 3.20 0.31 4.56 3.52 -1.19 -4.55 118.95 119.28 2nuy s ARG 258 Ca 0.71 -0.75 -0.27 0.00 -0.13 0.00 0.00 55.73 55.29 2nuy s ARG 258 Cb -0.09 -2.66 -0.14 0.00 -1.56 0.00 0.00 34.95 30.50 2nuy s ARG 258 CO 0.55 -0.04 0.93 -2.30 -0.81 0.00 0.00 175.30 173.63 2nuy n PRO 259 N 4.23 1.18 0.00 5.12 -0.02 -1.26 -1.78 135.00 142.47 2nuy n PRO 259 Ca -0.19 0.42 0.02 0.00 -2.02 0.00 0.00 63.50 61.73 2nuy n PRO 259 Cb 0.51 -1.77 0.12 0.00 -0.02 0.00 0.00 33.50 32.35 2nuy n PRO 259 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2nuy n PRO 260 N 0.67 0.06 -2.91 0.52 -0.04 -1.26 -4.95 135.00 127.09 2nuy n PRO 260 Ca 0.10 0.26 -0.44 0.00 -0.04 0.00 0.00 63.50 63.38 2nuy n PRO 260 Cb 0.33 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.27 2nuy n PRO 260 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2nuy s ILE 261 N -2.61 4.81 0.28 0.52 -1.09 -0.74 -5.00 121.20 117.37 2nuy s ILE 261 Ca 0.04 -1.98 -0.29 0.00 -2.23 0.00 0.00 60.65 56.19 2nuy s ILE 261 Cb 0.03 -4.85 -0.10 0.00 -1.58 0.00 0.00 42.46 35.96 2nuy s ILE 261 CO 0.08 -1.58 1.29 -0.36 -1.23 0.00 0.00 174.94 173.14 2nuy s PHE 262 N 2.35 3.18 0.64 3.97 0.40 -1.26 -3.17 117.98 124.10 2nuy s PHE 262 Ca 0.38 1.37 -0.16 0.00 -0.60 0.00 0.00 56.93 57.91 2nuy s PHE 262 Cb -0.04 -3.61 -0.01 0.00 0.51 0.00 0.00 43.02 39.87 2nuy s PHE 262 CO -0.05 -1.74 1.14 -2.14 0.70 0.00 0.00 175.22 173.12 2nuy s PRO 263 N -1.14 2.82 0.39 0.24 0.02 -1.26 -4.75 135.00 131.31 2nuy s PRO 263 Ca 0.51 1.53 -0.26 0.00 0.02 0.00 0.00 61.00 62.81 2nuy s PRO 263 Cb -0.38 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.11 2nuy s PRO 263 CO 0.46 -1.26 1.16 -0.51 -0.33 0.00 0.00 177.00 176.52 2nuy s LEU 264 N -4.63 4.23 0.90 -5.54 1.02 -1.26 -5.03 118.68 108.37 2nuy s LEU 264 Ca 0.70 2.34 -0.12 0.00 0.02 0.00 0.00 54.13 57.07 2nuy s LEU 264 Cb -0.23 -3.98 0.13 0.00 0.02 0.00 0.00 46.19 42.13 2nuy s LEU 264 CO 0.38 -0.61 1.12 0.42 0.02 0.00 0.00 176.35 177.69 2nuy s THR 265 N -1.39 2.23 0.36 5.49 -4.23 -1.26 -4.77 115.64 112.07 2nuy s THR 265 Ca 0.56 0.07 0.04 0.00 -1.18 0.00 0.00 61.69 61.18 2nuy s THR 265 Cb -0.31 -2.77 0.23 0.00 1.34 0.00 0.00 72.50 70.99 2nuy s THR 265 CO 0.39 -0.10 1.98 0.44 -0.54 0.00 0.00 174.62 176.80 2nuy h ASP 266 N -1.49 0.59 -0.23 3.99 3.32 -1.99 0.19 116.42 120.81 2nuy h ASP 266 Ca -0.50 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.47 2nuy h ASP 266 Cb 1.32 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 2nuy h ASP 266 CO 0.61 0.49 -0.01 -0.33 -1.72 0.00 0.00 179.24 178.27 2nuy h GLU 267 N 0.67 0.40 -0.56 3.56 3.07 -1.99 -1.82 114.58 117.91 2nuy h GLU 267 Ca 0.17 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 2nuy h GLU 267 Cb 0.04 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.89 2nuy h GLU 267 CO -0.03 0.60 0.29 0.93 -1.40 0.00 0.00 179.01 179.41 2nuy h GLU 268 N 0.16 0.78 -0.57 2.33 5.08 -1.80 -0.80 114.58 119.76 2nuy h GLU 268 Ca 0.06 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2nuy h GLU 268 Cb 0.42 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2nuy h GLU 268 CO 0.01 0.61 0.32 0.00 -1.00 0.00 0.00 179.01 178.95 2nuy h ALA 269 N 1.13 0.73 -0.33 3.43 0.00 -0.88 0.15 119.26 123.48 2nuy h ALA 269 Ca 0.19 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2nuy h ALA 269 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2nuy h ALA 269 CO -0.03 0.24 -0.24 1.25 0.00 0.00 0.00 179.25 180.48 2nuy h LEU 270 N 0.77 0.67 -0.50 0.00 5.85 -1.14 -1.51 115.31 119.45 2nuy h LEU 270 Ca 0.20 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 2nuy h LEU 270 Cb 0.04 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2nuy h LEU 270 CO -0.03 0.89 -0.04 -1.28 -0.34 0.00 0.00 178.44 177.64 2nuy h SER 271 N 0.58 0.90 -0.11 1.25 0.87 -0.55 -2.61 113.55 113.87 2nuy h SER 271 Ca 0.08 -0.32 -0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2nuy h SER 271 Cb 0.71 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2nuy h SER 271 CO 0.05 1.01 0.07 0.25 -0.53 0.00 0.00 176.83 177.68 2nuy h LEU 272 N 0.77 0.13 -1.20 2.23 5.85 -0.40 -2.33 115.31 120.35 2nuy h LEU 272 Ca 0.14 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.84 2nuy h LEU 272 Cb 0.57 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 2nuy h LEU 272 CO 0.03 0.13 0.55 0.11 -0.34 0.00 0.00 178.44 178.92 2nuy h LYS 273 N 0.12 1.03 -0.35 1.25 1.57 -1.24 -1.61 116.57 117.34 2nuy h LYS 273 Ca 0.04 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 2nuy h LYS 273 Cb 0.02 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 2nuy h LYS 273 CO -0.01 0.68 -0.41 0.00 -0.57 0.00 0.00 179.45 179.15 2nuy h ARG 274 N 1.07 0.88 -0.32 3.15 3.08 -1.36 -2.61 114.38 118.27 2nuy h ARG 274 Ca 0.32 -0.47 -0.11 0.00 0.07 0.00 0.00 59.98 59.79 2nuy h ARG 274 Cb -0.02 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2nuy h ARG 274 CO -0.09 1.12 -0.25 1.49 -1.07 0.00 0.00 179.97 181.18 2nuy h GLU 275 N 0.71 0.63 -0.00 0.04 4.81 -0.83 -2.99 114.58 116.95 2nuy h GLU 275 Ca 0.05 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2nuy h GLU 275 Cb 1.00 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.34 2nuy h GLU 275 CO 0.10 0.82 -0.43 0.44 -0.73 0.00 0.00 179.01 179.21 2nuy n ILE 276 N -4.11 0.00 -0.13 2.32 -5.35 -0.66 -4.47 119.36 106.96 2nuy n ILE 276 Ca -0.00 -0.01 -0.04 0.00 -0.27 0.00 0.00 62.75 62.43 2nuy n ILE 276 Cb 0.43 0.16 0.02 0.00 -1.74 0.00 0.00 39.64 38.51 2nuy n ILE 276 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2nuy h GLU 277 N 0.05 0.03 -0.91 6.28 4.57 -1.31 0.12 114.58 123.41 2nuy h GLU 277 Ca 0.00 -0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 2nuy h GLU 277 Cb 0.50 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.02 2nuy h GLU 277 CO 0.00 0.02 0.57 -1.35 -1.18 0.00 0.00 179.01 177.06 2nuy h PRO 278 N 0.03 0.99 -0.26 0.92 0.11 -1.78 -1.70 132.00 130.29 2nuy h PRO 278 Ca 0.20 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.15 2nuy h PRO 278 Cb 0.31 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 2nuy h PRO 278 CO -0.41 0.65 -0.26 -0.07 -0.21 0.00 0.00 178.00 177.70 2nuy h LEU 279 N 1.02 0.52 -1.16 2.35 3.38 -1.55 -2.72 115.31 117.16 2nuy h LEU 279 Ca 0.40 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 2nuy h LEU 279 Cb 0.21 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2nuy h LEU 279 CO -0.19 0.77 0.15 0.50 0.09 0.00 0.00 178.44 179.76 2nuy h LYS 280 N 0.45 0.74 -0.21 1.13 3.64 -0.04 -1.30 116.57 120.98 2nuy h LYS 280 Ca 0.06 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2nuy h LYS 280 Cb 0.69 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2nuy h LYS 280 CO 0.05 0.65 -0.08 0.00 -2.27 0.00 0.00 179.45 177.80 2nuy h ARG 281 N 0.72 0.42 -0.23 1.90 3.08 -1.08 -0.77 114.38 118.43 2nuy h ARG 281 Ca 0.17 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 2nuy h ARG 281 Cb 0.23 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2nuy h ARG 281 CO -0.01 0.70 -0.05 0.87 -1.07 0.00 0.00 179.97 180.41 2nuy h LYS 282 N 0.13 0.35 0.16 0.04 1.57 -1.29 -2.11 116.57 115.43 2nuy h LYS 282 Ca 0.05 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2nuy h LYS 282 Cb 0.56 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2nuy h LYS 282 CO 0.03 0.43 -0.08 0.82 -0.57 0.00 0.00 179.45 180.08 2nuy h ILE 283 N 0.34 0.98 0.00 1.86 2.04 -1.09 -2.95 117.51 118.68 2nuy h ILE 283 Ca 0.07 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.05 2nuy h ILE 283 Cb 0.32 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2nuy h ILE 283 CO 0.01 0.20 0.00 0.00 0.00 0.00 0.00 178.15 178.36 2nuy n GLN 284 N -4.99 0.29 -0.04 2.37 6.02 -0.31 -1.29 117.38 119.43 2nuy n GLN 284 Ca -0.09 0.10 -0.16 0.00 -0.01 0.00 0.00 57.00 56.85 2nuy n GLN 284 Cb 0.25 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.87 2nuy n GLN 284 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2nuy n GLU 285 N -1.21 0.70 0.00 -1.09 2.13 -0.81 -4.23 120.64 116.13 2nuy n GLU 285 Ca 0.08 0.22 0.12 0.00 0.66 0.00 0.00 57.16 58.25 2nuy n GLU 285 Cb 0.10 -1.68 0.25 0.00 0.27 0.00 0.00 31.44 30.38 2nuy n GLU 285 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2nuy n LEU 286 N -3.23 0.81 -3.50 4.31 4.77 -0.84 -4.57 117.00 114.75 2nuy n LEU 286 Ca -0.30 -0.18 -0.27 0.00 -0.03 0.00 0.00 56.01 55.23 2nuy n LEU 286 Cb 1.05 -0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 41.87 2nuy n LEU 286 CO 0.41 0.17 -0.26 -0.69 -1.33 0.00 0.00 177.39 175.69 2nuy s VAL 287 N -2.80 0.87 -2.00 4.08 1.01 -0.42 -5.10 120.40 116.05 2nuy s VAL 287 Ca 0.16 -2.95 0.24 0.00 0.00 0.00 0.00 61.98 59.43 2nuy s VAL 287 Cb 0.18 -1.60 0.67 0.00 0.00 0.00 0.00 36.38 35.63 2nuy s VAL 287 CO 0.65 -1.17 1.77 1.41 0.00 0.00 0.00 175.10 177.75