#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 2.99 -0.30 0.03 2.02 -0.71 -4.94 118.70 117.79 2nuy s GLU 2 Ca 0.00 -0.61 0.02 0.00 0.02 0.00 0.00 54.97 54.40 2nuy s GLU 2 Cb 0.00 -2.79 0.08 0.00 0.10 0.00 0.00 34.13 31.51 2nuy s GLU 2 CO 0.00 0.59 -0.02 0.42 0.02 0.00 0.00 175.26 176.27 2nuy s ILE 3 N -1.35 2.37 -0.14 -1.63 1.01 -1.26 -1.42 121.20 118.78 2nuy s ILE 3 Ca 0.28 -1.89 -0.06 0.00 0.00 0.00 0.00 60.65 58.98 2nuy s ILE 3 Cb -0.12 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 2nuy s ILE 3 CO 0.21 -0.28 0.05 -0.63 0.00 0.00 0.00 174.94 174.29 2nuy s ILE 4 N 1.05 4.73 -0.23 2.92 1.01 -0.08 -0.46 121.20 130.14 2nuy s ILE 4 Ca -0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.50 2nuy s ILE 4 Cb -0.20 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 2nuy s ILE 4 CO -0.06 0.53 0.08 -0.55 0.00 0.00 0.00 174.94 174.95 2nuy s SER 5 N -0.22 5.41 -0.93 3.58 0.15 -0.31 -2.54 113.70 118.84 2nuy s SER 5 Ca 0.07 -0.09 -0.23 0.00 0.70 0.00 0.00 55.95 56.41 2nuy s SER 5 Cb -0.12 -1.96 0.07 0.00 -1.71 0.00 0.00 66.02 62.30 2nuy s SER 5 CO 0.01 0.04 1.31 -2.16 1.20 0.00 0.00 173.24 173.64 2nuy s PRO 6 N 1.21 3.49 0.33 5.44 0.04 -1.26 -0.83 135.00 143.41 2nuy s PRO 6 Ca 0.05 -1.10 -0.29 0.00 0.04 0.00 0.00 61.00 59.71 2nuy s PRO 6 Cb -0.14 -4.98 -0.10 0.00 0.04 0.00 0.00 34.50 29.31 2nuy s PRO 6 CO 0.04 -2.07 1.29 -1.50 0.04 0.00 0.00 177.00 174.79 2nuy s ILE 7 N 4.53 2.79 0.71 0.56 2.07 -1.10 -4.51 121.20 126.23 2nuy s ILE 7 Ca 0.39 0.79 -0.12 0.00 -1.41 0.00 0.00 60.65 60.30 2nuy s ILE 7 Cb -0.04 -3.50 0.02 0.00 0.13 0.00 0.00 42.46 39.08 2nuy s ILE 7 CO -0.04 0.18 1.08 0.27 -1.91 0.00 0.00 174.94 174.52 2nuy s ILE 8 N -1.15 3.55 -0.37 2.00 -4.36 -1.26 -3.35 121.20 116.25 2nuy s ILE 8 Ca 0.49 0.57 -0.09 0.00 -0.26 0.00 0.00 60.65 61.37 2nuy s ILE 8 Cb -0.39 -3.13 0.04 0.00 1.25 0.00 0.00 42.46 40.23 2nuy s ILE 8 CO 0.51 -0.59 0.18 -0.89 0.24 0.00 0.00 174.94 174.39 2nuy s THR 9 N -2.77 4.17 0.15 8.37 2.01 -1.26 -4.90 115.64 121.41 2nuy s THR 9 Ca 0.62 -1.10 -0.31 0.00 0.31 0.00 0.00 61.69 61.21 2nuy s THR 9 Cb -0.17 -3.40 -0.08 0.00 0.01 0.00 0.00 72.50 68.86 2nuy s THR 9 CO 0.50 -0.28 1.35 -2.84 -0.69 0.00 0.00 174.62 172.66 2nuy s PRO 10 N 1.46 4.35 0.17 4.92 0.02 -1.26 -4.82 135.00 139.85 2nuy s PRO 10 Ca 0.01 2.06 0.10 0.00 0.02 0.00 0.00 61.00 63.19 2nuy s PRO 10 Cb -0.20 -3.22 -0.04 0.00 0.02 0.00 0.00 34.50 31.05 2nuy s PRO 10 CO 0.04 -0.35 -0.22 -0.06 -0.33 0.00 0.00 177.00 176.08 2nuy s PHE 11 N 0.63 2.08 0.67 6.54 0.40 -1.02 -0.70 117.98 126.58 2nuy s PHE 11 Ca 0.61 -0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 56.48 2nuy s PHE 11 Cb -0.37 -1.05 0.14 0.00 0.51 0.00 0.00 43.02 42.26 2nuy s PHE 11 CO 0.34 0.40 0.91 -0.40 0.70 0.00 0.00 175.22 177.18 2nuy n ASP 12 N 0.39 0.70 0.29 1.36 5.68 0.02 -1.34 116.55 123.65 2nuy n ASP 12 Ca -0.14 -1.72 0.16 0.00 -0.50 0.00 0.00 54.79 52.60 2nuy n ASP 12 Cb 0.56 -0.64 0.86 0.00 -1.14 0.00 0.00 41.12 40.76 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 0.00 -0.09 0.11 1.63 -1.95 -1.68 116.57 114.58 2nuy h LYS 13 Ca -0.30 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.50 2nuy h LYS 13 Cb 0.98 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.61 2nuy h LYS 13 CO 0.27 0.06 0.00 1.04 -3.45 0.00 0.00 179.45 177.37 2nuy n GLN 14 N -3.46 1.50 -2.16 1.90 3.00 -1.26 -4.92 117.38 111.99 2nuy n GLN 14 Ca -0.02 -0.75 -0.04 0.00 -0.01 0.00 0.00 57.00 56.19 2nuy n GLN 14 Cb 0.19 -1.39 0.00 0.00 0.00 0.00 0.00 30.24 29.04 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 1.05 0.30 3.57 1.08 0.00 -0.63 -5.05 105.19 105.52 2nuy n GLY 15 Ca 0.17 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.33 2.95 0.22 1.61 2.20 -1.26 -4.87 119.74 116.26 2nuy s LYS 16 Ca 0.01 -0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 54.80 2nuy s LYS 16 Cb -0.01 -2.67 -0.09 0.00 -1.51 0.00 0.00 37.83 33.55 2nuy s LYS 16 CO 0.02 0.59 1.34 0.08 -0.36 0.00 0.00 175.35 177.01 2nuy s VAL 17 N -0.59 3.03 -0.48 4.02 1.01 -1.26 -0.80 120.40 125.32 2nuy s VAL 17 Ca 0.09 0.87 -0.09 0.00 0.00 0.00 0.00 61.98 62.85 2nuy s VAL 17 Cb -0.12 -3.56 0.12 0.00 0.00 0.00 0.00 36.38 32.83 2nuy s VAL 17 CO 0.02 0.14 0.36 0.21 0.00 0.00 0.00 175.10 175.83 2nuy s ASN 18 N 0.25 5.74 0.37 3.32 3.84 0.12 -4.88 114.94 123.71 2nuy s ASN 18 Ca 0.56 -1.94 0.18 0.00 0.21 0.00 0.00 52.86 51.87 2nuy s ASN 18 Cb -0.38 -2.02 0.69 0.00 -0.55 0.00 0.00 41.25 38.98 2nuy s ASN 18 CO 0.41 -0.70 1.74 -0.37 -2.79 0.00 0.00 177.10 175.40 2nuy h VAL 19 N 6.08 0.96 -0.24 -5.21 -1.51 -1.94 -2.57 116.25 111.82 2nuy h VAL 19 Ca -0.21 -1.52 -0.02 0.00 -1.23 0.00 0.00 66.70 63.72 2nuy h VAL 19 Cb 1.07 1.90 -0.01 0.00 -2.13 0.00 0.00 31.29 32.12 2nuy h VAL 19 CO 0.87 0.38 0.06 0.44 -1.23 0.00 0.00 177.57 178.09 2nuy h ASP 20 N 0.00 0.37 -0.36 4.19 3.32 -1.98 -1.03 116.42 120.93 2nuy h ASP 20 Ca -0.00 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.77 2nuy h ASP 20 Cb 0.87 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 2nuy h ASP 20 CO 0.05 0.50 0.08 0.00 -1.72 0.00 0.00 179.24 178.15 2nuy h ALA 21 N 0.88 1.32 -0.68 3.45 0.00 -1.88 -1.02 119.26 121.33 2nuy h ALA 21 Ca 0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2nuy h ALA 21 Cb 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2nuy h ALA 21 CO 0.00 0.48 0.32 1.25 0.00 0.00 0.00 179.25 181.30 2nuy h LEU 22 N 0.65 0.89 -0.32 0.00 5.85 -1.06 -0.28 115.31 121.03 2nuy h LEU 22 Ca 0.14 -0.14 -0.16 0.00 0.84 0.00 0.00 57.88 58.57 2nuy h LEU 22 Cb 0.29 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 2nuy h LEU 22 CO 0.00 0.78 -0.43 0.11 -0.34 0.00 0.00 178.44 178.57 2nuy h LYS 23 N 0.95 0.85 -0.74 1.25 1.57 -0.81 -1.19 116.57 118.46 2nuy h LYS 23 Ca 0.23 -0.49 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 2nuy h LYS 23 Cb 0.13 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2nuy h LYS 23 CO -0.03 1.13 0.39 1.15 -0.57 0.00 0.00 179.45 181.52 2nuy h THR 24 N 0.64 1.23 -0.23 -0.16 2.02 -1.02 -1.16 112.91 114.23 2nuy h THR 24 Ca 0.04 -0.58 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 2nuy h THR 24 Cb 1.03 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 2nuy h THR 24 CO 0.10 0.25 -0.01 -0.74 0.37 0.00 0.00 175.52 175.50 2nuy h HIS 25 N 1.02 0.46 -0.42 3.16 -0.00 -0.95 -2.74 115.15 115.68 2nuy h HIS 25 Ca 0.26 -0.08 -0.02 0.00 -0.00 0.00 0.00 60.37 60.53 2nuy h HIS 25 Cb 0.05 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.33 2nuy h HIS 25 CO 0.00 0.60 0.19 0.00 -0.00 0.00 0.00 177.93 178.73 2nuy h ALA 26 N 0.80 0.54 -0.40 5.26 0.00 -1.01 -1.79 119.26 122.65 2nuy h ALA 26 Ca 0.07 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.93 2nuy h ALA 26 Cb 0.42 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 2nuy h ALA 26 CO 0.01 0.11 0.06 0.87 0.00 0.00 0.00 179.25 180.30 2nuy h LYS 27 N 0.53 0.17 -0.30 0.00 1.57 -1.18 -1.18 116.57 116.18 2nuy h LYS 27 Ca 0.14 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2nuy h LYS 27 Cb 0.13 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2nuy h LYS 27 CO -0.02 0.11 0.18 -0.97 -0.57 0.00 0.00 179.45 178.18 2nuy h ASN 28 N 0.18 0.36 -0.53 0.86 -1.24 -1.20 -1.06 115.58 112.96 2nuy h ASN 28 Ca 0.20 -0.06 0.03 0.00 0.71 0.00 0.00 56.30 57.17 2nuy h ASN 28 Cb 0.25 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.17 2nuy h ASN 28 CO -0.28 0.32 0.31 -0.07 -1.29 0.00 0.00 177.43 176.43 2nuy h LEU 29 N 0.38 0.50 -0.77 0.34 3.38 -0.93 -2.38 115.31 115.83 2nuy h LEU 29 Ca 0.11 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2nuy h LEU 29 Cb 0.03 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2nuy h LEU 29 CO -0.02 0.35 0.26 -0.07 0.09 0.00 0.00 178.44 179.06 2nuy h LEU 30 N 0.62 1.10 -1.92 1.67 3.38 -1.03 -2.29 115.31 116.83 2nuy h LEU 30 Ca 0.21 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2nuy h LEU 30 Cb 0.03 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 2nuy h LEU 30 CO -0.10 1.00 -0.07 -0.33 0.09 0.00 0.00 178.44 179.03 2nuy h GLU 31 N 1.13 0.00 -0.36 1.13 5.08 -0.91 -2.58 114.58 118.07 2nuy h GLU 31 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2nuy h GLU 31 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2nuy h GLU 31 CO -0.01 0.07 0.00 1.63 -1.00 0.00 0.00 179.01 179.70 2nuy n LYS 32 N -4.35 1.94 0.00 2.33 5.02 -0.89 -4.93 118.16 117.29 2nuy n LYS 32 Ca -0.03 -1.45 0.00 0.00 -2.02 0.00 0.00 58.31 54.81 2nuy n LYS 32 Cb 0.15 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 2nuy n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nuy n GLY 33 N 1.17 0.70 3.72 0.72 0.00 -0.97 -4.57 105.19 105.97 2nuy n GLY 33 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2nuy n GLY 33 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2nuy n ILE 34 N -1.09 0.11 0.11 -0.61 2.08 -1.04 -4.86 119.36 114.06 2nuy n ILE 34 Ca 0.00 -0.03 0.02 0.00 0.56 0.00 0.00 62.75 63.30 2nuy n ILE 34 Cb 0.00 -1.98 -0.01 0.00 -0.75 0.00 0.00 39.64 36.91 2nuy n ILE 34 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 2nuy h ASP 35 N 6.54 0.00 -4.73 4.38 3.32 -1.12 -3.42 116.42 121.38 2nuy h ASP 35 Ca -0.44 0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.69 2nuy h ASP 35 Cb 1.21 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.61 2nuy h ASP 35 CO 0.94 0.51 0.41 0.00 -1.72 0.00 0.00 179.24 179.39 2nuy s ALA 36 N -2.96 -1.76 -0.14 3.45 0.00 -1.24 -4.94 121.76 114.18 2nuy s ALA 36 Ca 0.02 0.88 0.01 0.00 0.00 0.00 0.00 51.96 52.87 2nuy s ALA 36 Cb 0.08 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.72 2nuy s ALA 36 CO 0.77 -0.70 -0.15 0.42 0.00 0.00 0.00 175.76 176.09 2nuy s ILE 37 N -3.25 2.74 -0.46 0.00 1.01 -0.25 -1.16 121.20 119.83 2nuy s ILE 37 Ca 0.04 -0.76 -0.17 0.00 0.00 0.00 0.00 60.65 59.75 2nuy s ILE 37 Cb -0.01 -2.14 0.05 0.00 0.01 0.00 0.00 42.46 40.36 2nuy s ILE 37 CO -0.10 0.52 0.48 0.12 0.00 0.00 0.00 174.94 175.97 2nuy s PHE 38 N 0.58 3.15 0.01 3.97 5.36 -0.01 -0.71 117.98 130.32 2nuy s PHE 38 Ca -0.09 -0.59 -0.20 0.00 -0.96 0.00 0.00 56.93 55.09 2nuy s PHE 38 Cb -0.16 -3.18 -0.06 0.00 -0.34 0.00 0.00 43.02 39.29 2nuy s PHE 38 CO 0.03 -0.84 0.58 0.08 -1.46 0.00 0.00 175.22 173.62 2nuy s VAL 39 N 2.15 4.89 -1.20 3.12 1.01 0.02 -2.72 120.40 127.66 2nuy s VAL 39 Ca 0.11 1.21 -0.03 0.00 0.00 0.00 0.00 61.98 63.27 2nuy s VAL 39 Cb -0.20 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.27 2nuy s VAL 39 CO 0.11 0.45 0.33 0.59 0.00 0.00 0.00 175.10 176.58 2nuy n ASN 40 N 2.52 -4.88 -2.03 3.32 3.02 -1.26 -1.59 115.26 114.36 2nuy n ASN 40 Ca -0.08 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 2nuy n ASN 40 Cb 0.51 -3.80 0.00 0.00 -0.61 0.00 0.00 39.78 35.88 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 -1.24 -0.28 0.12 7.41 0.00 -1.26 -3.80 105.19 106.14 2nuy n GLY 41 Ca -0.11 -1.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.63 0.95 0.00 2.61 2.02 -1.95 0.32 112.91 116.23 2nuy h THR 42 Ca 0.00 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 2nuy h THR 42 Cb 0.00 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2nuy h THR 42 CO 0.00 0.04 -0.10 0.74 0.37 0.00 0.00 175.52 176.57 2nuy h THR 43 N 0.21 0.82 -0.31 3.16 2.02 -1.89 -0.36 112.91 116.55 2nuy h THR 43 Ca 0.11 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.91 2nuy h THR 43 Cb 0.06 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2nuy h THR 43 CO -0.10 0.10 0.00 0.61 0.37 0.00 0.00 175.52 176.50 2nuy n GLY 44 N -1.05 0.88 2.41 2.16 0.00 -0.60 -4.35 105.19 104.63 2nuy n GLY 44 Ca -0.02 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 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 0.42 -1.92 -0.34 0.99 4.32 -0.15 -4.34 117.00 115.99 2nuy n LEU 45 Ca 0.11 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 56.02 2nuy n LEU 45 Cb 0.36 -2.93 -0.08 0.00 -1.62 0.00 0.00 43.42 39.15 2nuy n LEU 45 CO 0.09 -0.24 0.44 0.61 -1.22 0.00 0.00 177.39 177.07 2nuy n GLY 46 N -1.00 -2.45 0.19 -0.72 0.00 0.00 0.05 105.19 101.27 2nuy n GLY 46 Ca -0.25 1.02 0.13 0.00 0.00 0.00 0.00 46.02 46.93 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 -1.58 132.00 130.30 2nuy h PRO 47 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2nuy h PRO 47 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.44 2nuy h PRO 47 CO -0.75 0.00 -0.67 0.00 -0.21 0.00 0.00 178.00 176.37 2nuy n ALA 48 N -1.84 3.79 -2.35 -0.75 0.00 0.11 -4.91 120.51 114.55 2nuy n ALA 48 Ca -0.01 -0.41 -0.38 0.00 0.00 0.00 0.00 53.44 52.64 2nuy n ALA 48 Cb 0.08 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.44 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 -3.13 4.48 0.80 0.00 1.43 -0.60 -5.07 118.68 116.59 2nuy s LEU 49 Ca 0.09 1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 54.23 2nuy s LEU 49 Cb 0.17 -2.89 0.07 0.00 0.03 0.00 0.00 46.19 43.57 2nuy s LEU 49 CO 0.75 0.25 1.09 -0.94 0.23 0.00 0.00 176.35 177.73 2nuy s SER 50 N -1.23 4.41 0.20 2.29 1.04 -1.26 -4.79 113.70 114.36 2nuy s SER 50 Ca 0.29 1.38 -0.14 0.00 0.48 0.00 0.00 55.95 57.96 2nuy s SER 50 Cb -0.18 -2.11 0.22 0.00 0.10 0.00 0.00 66.02 64.04 2nuy s SER 50 CO 0.18 -2.03 1.63 0.50 0.98 0.00 0.00 173.24 174.50 2nuy h LYS 51 N -1.13 -0.00 -0.21 4.02 3.64 -1.97 -0.74 116.57 120.17 2nuy h LYS 51 Ca -0.47 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.81 2nuy h LYS 51 Cb 1.26 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 2nuy h LYS 51 CO 0.58 -0.00 -0.31 -0.44 -2.27 0.00 0.00 179.45 177.01 2nuy h ASP 52 N -0.00 0.44 -0.51 4.20 3.32 -1.99 -2.24 116.42 119.63 2nuy h ASP 52 Ca 0.29 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 2nuy h ASP 52 Cb 0.44 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2nuy h ASP 52 CO -0.62 0.73 0.01 -0.33 -1.72 0.00 0.00 179.24 177.31 2nuy h GLU 53 N 0.37 0.94 -0.77 3.56 5.08 -1.60 0.14 114.58 122.30 2nuy h GLU 53 Ca 0.05 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 2nuy h GLU 53 Cb 0.73 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 2nuy h GLU 53 CO 0.06 0.92 0.32 0.87 -1.00 0.00 0.00 179.01 180.18 2nuy h LYS 54 N 0.87 1.14 -0.28 2.33 1.57 -0.90 -1.09 116.57 120.21 2nuy h LYS 54 Ca 0.16 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2nuy h LYS 54 Cb 0.50 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2nuy h LYS 54 CO 0.02 0.92 0.02 -0.09 -0.57 0.00 0.00 179.45 179.76 2nuy h ARG 55 N 1.10 0.47 -0.22 3.15 2.43 -1.13 -2.83 114.38 117.36 2nuy h ARG 55 Ca 0.26 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 2nuy h ARG 55 Cb 0.20 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2nuy h ARG 55 CO -0.02 0.61 -0.21 1.96 -1.51 0.00 0.00 179.97 180.80 2nuy h GLN 56 N 0.27 0.39 -0.49 0.20 1.08 -0.69 -1.26 115.11 114.60 2nuy h GLN 56 Ca 0.08 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2nuy h GLN 56 Cb 0.38 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 2nuy h GLN 56 CO 0.01 0.58 0.31 -0.91 -0.95 0.00 0.00 178.83 177.87 2nuy h ASN 57 N 0.35 0.58 -0.20 1.46 2.35 -1.15 -1.18 115.58 117.79 2nuy h ASN 57 Ca 0.06 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2nuy h ASN 57 Cb 0.57 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 2nuy h ASN 57 CO 0.04 0.44 0.04 0.25 -1.65 0.00 0.00 177.43 176.55 2nuy h LEU 58 N 0.66 0.32 -0.54 1.61 5.85 -1.17 -1.80 115.31 120.23 2nuy h LEU 58 Ca 0.18 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.68 2nuy h LEU 58 Cb -0.04 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2nuy h LEU 58 CO -0.04 0.49 0.30 0.78 -0.34 0.00 0.00 178.44 179.64 2nuy h ASN 59 N 0.13 0.46 0.03 1.25 2.35 -1.11 0.20 115.58 118.90 2nuy h ASN 59 Ca 0.06 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2nuy h ASN 59 Cb 0.31 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2nuy h ASN 59 CO 0.00 0.32 -0.02 0.00 -1.65 0.00 0.00 177.43 176.09 2nuy h ALA 60 N 1.27 -0.04 0.00 -0.83 0.00 -1.17 -2.77 119.26 115.72 2nuy h ALA 60 Ca 0.23 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2nuy h ALA 60 Cb 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2nuy h ALA 60 CO -0.13 -0.48 -0.24 -0.07 0.00 0.00 0.00 179.25 178.33 2nuy h LEU 61 N -0.14 0.00 -1.47 0.00 3.38 -1.05 -2.27 115.31 113.76 2nuy h LEU 61 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2nuy h LEU 61 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2nuy h LEU 61 CO 0.01 0.24 0.00 0.22 0.09 0.00 0.00 178.44 179.00 2nuy h TYR 62 N 0.00 0.00 -0.00 1.13 5.03 -0.31 0.52 116.97 123.33 2nuy h TYR 62 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2nuy h TYR 62 Cb 0.44 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.72 2nuy h TYR 62 CO 0.00 0.00 -0.12 -0.25 -1.32 0.00 0.00 178.16 176.47 2nuy n ASP 63 N -2.66 0.36 -0.06 -2.11 8.00 -0.85 -4.25 116.55 114.98 2nuy n ASP 63 Ca 0.00 -0.37 -0.12 0.00 0.71 0.00 0.00 54.79 55.01 2nuy n ASP 63 Cb 0.19 -0.12 -0.05 0.00 -0.02 0.00 0.00 41.12 41.12 2nuy n ASP 63 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2nuy n VAL 64 N -1.10 0.68 -3.83 2.53 0.31 0.04 -5.11 118.33 111.85 2nuy n VAL 64 Ca 0.13 -0.20 -0.09 0.00 -0.01 0.00 0.00 64.34 64.16 2nuy n VAL 64 Cb 0.28 -1.41 -0.07 0.00 -0.91 0.00 0.00 33.84 31.73 2nuy n VAL 64 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2nuy s THR 65 N -2.23 0.13 -0.60 2.52 -1.32 -0.43 -5.04 115.64 108.67 2nuy s THR 65 Ca -0.17 -1.06 0.23 0.00 -1.21 0.00 0.00 61.69 59.47 2nuy s THR 65 Cb 0.06 -1.24 -0.15 0.00 -1.51 0.00 0.00 72.50 69.66 2nuy s THR 65 CO 0.24 -0.59 0.96 0.00 -2.21 0.00 0.00 174.62 173.02 2nuy n HIS 66 N 0.07 0.21 -1.68 9.09 1.44 -1.26 -4.29 115.22 118.80 2nuy n HIS 66 Ca -0.16 0.06 -0.42 0.00 -2.01 0.00 0.00 57.72 55.20 2nuy n HIS 66 Cb 0.62 -0.39 -0.00 0.00 0.12 0.00 0.00 29.99 30.33 2nuy n HIS 66 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2nuy n LYS 67 N -1.94 3.00 -4.75 -1.40 5.02 -1.26 -3.65 118.16 113.18 2nuy n LYS 67 Ca 0.02 -2.56 -0.25 0.00 -2.02 0.00 0.00 58.31 53.50 2nuy n LYS 67 Cb 0.44 -3.21 -0.16 0.00 -0.02 0.00 0.00 35.03 32.08 2nuy n LYS 67 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2nuy s LEU 68 N 1.85 1.86 -0.22 -0.35 1.43 -1.26 -1.09 118.68 120.90 2nuy s LEU 68 Ca 0.50 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 2nuy s LEU 68 Cb 0.15 -0.90 -0.00 0.00 0.03 0.00 0.00 46.19 45.46 2nuy s LEU 68 CO -0.08 0.12 -0.07 -0.63 0.23 0.00 0.00 176.35 175.92 2nuy s ILE 69 N 0.16 3.12 -0.45 -0.59 1.01 0.11 -0.94 121.20 123.62 2nuy s ILE 69 Ca -0.06 -0.62 -0.17 0.00 0.00 0.00 0.00 60.65 59.80 2nuy s ILE 69 Cb -0.12 -2.42 0.04 0.00 0.01 0.00 0.00 42.46 39.97 2nuy s ILE 69 CO 0.02 0.42 0.48 0.12 0.00 0.00 0.00 174.94 175.98 2nuy s PHE 70 N 1.43 3.15 -0.15 3.97 5.99 -0.38 -0.80 117.98 131.20 2nuy s PHE 70 Ca 0.05 -0.52 -0.23 0.00 0.00 0.00 0.00 56.93 56.24 2nuy s PHE 70 Cb -0.14 -3.12 -0.03 0.00 0.00 0.00 0.00 43.02 39.73 2nuy s PHE 70 CO -0.05 -0.81 0.69 -1.14 -0.00 0.00 0.00 175.22 173.91 2nuy s GLN 71 N 2.18 4.31 -0.01 10.12 -0.44 -0.62 -0.26 119.66 134.94 2nuy s GLN 71 Ca 0.11 0.78 0.02 0.00 -2.50 0.00 0.00 55.36 53.78 2nuy s GLN 71 Cb -0.19 -3.53 0.03 0.00 -1.64 0.00 0.00 33.01 27.69 2nuy s GLN 71 CO 0.12 -0.14 0.95 1.33 0.50 0.00 0.00 175.29 178.05 2nuy n VAL 72 N 4.36 0.95 -2.04 1.34 0.24 -0.18 -4.67 118.33 118.34 2nuy n VAL 72 Ca -0.00 -0.99 -0.41 0.00 -2.04 0.00 0.00 64.34 60.90 2nuy n VAL 72 Cb 0.50 0.48 -0.02 0.00 -1.47 0.00 0.00 33.84 33.34 2nuy n VAL 72 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2nuy s GLY 73 N -1.08 2.82 0.30 7.63 0.00 -1.26 -4.57 107.32 111.16 2nuy s GLY 73 Ca 0.04 1.33 -0.18 0.00 0.00 0.00 0.00 44.72 45.91 2nuy s GLY 73 CO 0.00 2.06 0.67 -1.35 0.00 0.00 0.00 173.10 174.49 2nuy s SER 74 N -0.21 -0.12 -0.09 1.64 1.04 -1.26 -4.72 113.70 109.98 2nuy s SER 74 Ca 0.52 -0.82 0.07 0.00 0.48 0.00 0.00 55.95 56.20 2nuy s SER 74 Cb -0.41 0.72 0.35 0.00 0.10 0.00 0.00 66.02 66.78 2nuy s SER 74 CO 0.52 -1.37 1.09 0.18 0.98 0.00 0.00 173.24 174.64 2nuy n LEU 75 N -0.46 2.86 -3.65 2.42 4.77 -1.26 -4.59 117.00 117.09 2nuy n LEU 75 Ca -0.04 -1.44 -0.28 0.00 -0.03 0.00 0.00 56.01 54.21 2nuy n LEU 75 Cb 0.60 -0.52 -0.16 0.00 -2.33 0.00 0.00 43.42 41.01 2nuy n LEU 75 CO 0.19 0.42 -0.34 0.21 -1.33 0.00 0.00 177.39 176.54 2nuy s ASN 76 N -0.46 3.16 0.57 -1.43 3.84 -1.26 -5.02 114.94 114.34 2nuy s ASN 76 Ca 0.24 -1.06 0.26 0.00 0.21 0.00 0.00 52.86 52.51 2nuy s ASN 76 Cb 0.17 -0.48 1.54 0.00 -0.55 0.00 0.00 41.25 41.93 2nuy s ASN 76 CO 0.08 -0.38 2.09 0.25 -2.79 0.00 0.00 177.10 176.35 2nuy h LEU 77 N 8.31 0.00 -0.76 3.21 5.85 -2.00 -0.28 115.31 129.65 2nuy h LEU 77 Ca -0.17 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 2nuy h LEU 77 Cb 1.08 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 2nuy h LEU 77 CO 0.38 0.00 0.34 0.78 -0.34 0.00 0.00 178.44 179.60 2nuy h ASN 78 N 0.00 1.01 -0.25 1.25 2.35 -1.97 -0.64 115.58 117.34 2nuy h ASN 78 Ca 0.11 -0.15 -0.16 0.00 -0.55 0.00 0.00 56.30 55.56 2nuy h ASN 78 Cb 0.53 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 2nuy h ASN 78 CO -0.00 0.88 -0.42 0.44 -1.65 0.00 0.00 177.43 176.68 2nuy h ASP 79 N 1.08 0.86 -0.31 5.81 3.32 -1.48 -2.20 116.42 123.50 2nuy h ASP 79 Ca 0.26 -0.40 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 2nuy h ASP 79 Cb 0.15 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2nuy h ASP 79 CO -0.03 1.16 0.18 0.58 -1.72 0.00 0.00 179.24 179.41 2nuy h VAL 80 N 0.65 1.11 -0.52 -1.35 2.07 -1.15 -2.18 116.25 114.88 2nuy h VAL 80 Ca 0.05 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 2nuy h VAL 80 Cb 0.98 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2nuy h VAL 80 CO 0.09 0.11 0.16 0.24 0.02 0.00 0.00 177.57 178.20 2nuy h MET 81 N 0.39 0.76 -0.58 1.57 2.86 -1.08 -0.91 114.93 117.94 2nuy h MET 81 Ca 0.11 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 2nuy h MET 81 Cb 0.02 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 2nuy h MET 81 CO -0.02 0.66 0.14 1.49 1.06 0.00 0.00 176.91 180.24 2nuy h GLU 82 N 0.75 0.90 -0.11 1.72 4.81 -1.11 -0.28 114.58 121.26 2nuy h GLU 82 Ca 0.17 -0.19 -0.16 0.00 -0.13 0.00 0.00 59.36 59.05 2nuy h GLU 82 Cb 0.22 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2nuy h GLU 82 CO -0.01 0.81 -0.63 -0.07 -0.73 0.00 0.00 179.01 178.38 2nuy h LEU 83 N 0.86 0.47 -0.36 1.64 3.38 -0.74 -1.78 115.31 118.79 2nuy h LEU 83 Ca 0.19 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 2nuy h LEU 83 Cb 0.32 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2nuy h LEU 83 CO -0.00 0.98 -0.01 0.58 0.09 0.00 0.00 178.44 180.07 2nuy h VAL 84 N 0.30 1.26 -0.73 1.22 2.07 -0.84 -1.39 116.25 118.14 2nuy h VAL 84 Ca -0.01 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 2nuy h VAL 84 Cb 1.17 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 2nuy h VAL 84 CO 0.11 0.34 0.27 0.11 0.02 0.00 0.00 177.57 178.42 2nuy h LYS 85 N 0.46 1.11 -0.09 1.57 1.57 -1.02 -0.97 116.57 119.20 2nuy h LYS 85 Ca 0.10 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2nuy h LYS 85 Cb 0.48 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2nuy h LYS 85 CO 0.02 0.92 0.06 0.35 -0.57 0.00 0.00 179.45 180.23 2nuy h PHE 86 N 1.06 0.11 0.00 -1.35 3.04 -1.23 -2.90 116.94 115.68 2nuy h PHE 86 Ca 0.24 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.18 2nuy h PHE 86 Cb 0.24 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.71 2nuy h PHE 86 CO 0.02 0.07 -0.08 0.66 -2.02 0.00 0.00 178.31 176.96 2nuy h SER 87 N 0.12 0.00 -0.56 0.41 4.64 -1.03 -3.07 113.55 114.06 2nuy h SER 87 Ca 0.03 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.47 2nuy h SER 87 Cb -0.01 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 2nuy h SER 87 CO -0.01 0.08 0.39 0.78 -0.87 0.00 0.00 176.83 177.20 2nuy h ASN 88 N 0.00 0.24 -0.17 4.97 2.35 -0.96 -1.80 115.58 120.21 2nuy h ASN 88 Ca -0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2nuy h ASN 88 Cb 0.61 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2nuy h ASN 88 CO 0.01 0.14 0.00 -0.62 -1.65 0.00 0.00 177.43 175.31 2nuy n GLU 89 N -4.45 1.40 -4.32 0.81 -0.58 -1.16 -4.86 120.64 107.47 2nuy n GLU 89 Ca 0.10 -0.62 -0.22 0.00 -0.42 0.00 0.00 57.16 56.00 2nuy n GLU 89 Cb 0.44 -1.13 -0.12 0.00 -0.57 0.00 0.00 31.44 30.06 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 -1.77 1.23 -0.94 3.49 -1.94 -0.68 -5.08 119.30 113.61 2nuy s MET 90 Ca 0.12 -1.33 -0.16 0.00 -1.71 0.00 0.00 55.69 52.60 2nuy s MET 90 Cb 0.06 -1.35 0.18 0.00 2.01 0.00 0.00 34.83 35.73 2nuy s MET 90 CO 0.08 0.29 1.03 0.34 -0.01 0.00 0.00 175.02 176.75 2nuy s ASP 91 N -2.43 6.77 0.38 3.03 -1.08 -1.26 -4.98 116.67 117.09 2nuy s ASP 91 Ca 0.13 -2.48 0.05 0.00 -0.52 0.00 0.00 52.55 49.73 2nuy s ASP 91 Cb -0.07 -2.32 -0.06 0.00 -1.46 0.00 0.00 42.92 39.01 2nuy s ASP 91 CO 0.06 -0.80 0.04 0.27 0.52 0.00 0.00 175.17 175.26 2nuy s ILE 92 N 1.40 1.48 0.12 4.11 -4.36 -1.26 -4.77 121.20 117.93 2nuy s ILE 92 Ca 0.28 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.60 2nuy s ILE 92 Cb -0.07 -2.81 -0.17 0.00 1.25 0.00 0.00 42.46 40.66 2nuy s ILE 92 CO -0.08 0.00 1.31 -0.07 0.24 0.00 0.00 174.94 176.34 2nuy h LEU 93 N 1.90 0.68 -7.58 0.37 3.38 -1.10 -3.48 115.31 109.48 2nuy h LEU 93 Ca -0.42 -0.50 0.31 0.00 0.09 0.00 0.00 57.88 57.36 2nuy h LEU 93 Cb 1.25 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 2nuy h LEU 93 CO 0.74 1.29 0.81 -0.83 0.09 0.00 0.00 178.44 180.54 2nuy s GLY 94 N -4.31 -0.25 0.05 0.83 0.00 -1.16 -4.22 107.32 98.26 2nuy s GLY 94 Ca -0.07 0.32 0.09 0.00 0.00 0.00 0.00 44.72 45.06 2nuy s GLY 94 CO 0.88 2.31 -0.26 0.54 0.00 0.00 0.00 173.10 176.57 2nuy s VAL 95 N -2.30 2.16 0.07 1.40 0.11 -0.22 -1.25 120.40 120.38 2nuy s VAL 95 Ca 0.20 -1.41 -0.01 0.00 -2.93 0.00 0.00 61.98 57.83 2nuy s VAL 95 Cb 0.02 -1.85 -0.04 0.00 -1.53 0.00 0.00 36.38 32.98 2nuy s VAL 95 CO -0.01 0.35 -0.01 -0.55 -3.33 0.00 0.00 175.10 171.55 2nuy s SER 96 N -1.29 0.45 -0.26 3.54 0.15 0.64 -0.82 113.70 116.12 2nuy s SER 96 Ca 0.12 -1.04 -0.24 0.00 0.70 0.00 0.00 55.95 55.49 2nuy s SER 96 Cb -0.10 0.22 0.07 0.00 -1.71 0.00 0.00 66.02 64.50 2nuy s SER 96 CO 0.02 -0.63 0.69 -0.55 1.20 0.00 0.00 173.24 173.98 2nuy s SER 97 N -2.95 -0.72 0.78 5.45 0.15 -1.18 -1.01 113.70 114.22 2nuy s SER 97 Ca 0.11 1.39 -0.10 0.00 0.70 0.00 0.00 55.95 58.05 2nuy s SER 97 Cb 0.08 1.41 0.08 0.00 -1.71 0.00 0.00 66.02 65.88 2nuy s SER 97 CO -0.07 -0.24 1.13 -1.38 1.20 0.00 0.00 173.24 173.88 2nuy s HIS 98 N 0.38 2.86 0.90 3.44 -3.43 -1.26 -2.32 115.29 115.86 2nuy s HIS 98 Ca -0.00 0.61 -0.12 0.00 -0.80 0.00 0.00 55.06 54.75 2nuy s HIS 98 Cb -0.05 -3.43 0.13 0.00 -1.43 0.00 0.00 32.58 27.80 2nuy s HIS 98 CO 0.01 -1.70 1.12 -1.54 -2.00 0.00 0.00 174.74 170.63 2nuy s SER 99 N -4.58 3.62 0.50 7.38 1.04 -1.25 -4.86 113.70 115.55 2nuy s SER 99 Ca 0.62 1.10 -0.21 0.00 0.48 0.00 0.00 55.95 57.94 2nuy s SER 99 Cb -0.10 -1.73 -0.10 0.00 0.10 0.00 0.00 66.02 64.19 2nuy s SER 99 CO 0.48 -2.50 0.71 -2.65 0.98 0.00 0.00 173.24 170.26 2nuy n PRO 100 N -3.75 0.78 -4.28 4.02 -0.02 -1.26 -4.96 135.00 125.53 2nuy n PRO 100 Ca 0.06 0.29 -0.18 0.00 -2.02 0.00 0.00 63.50 61.66 2nuy n PRO 100 Cb 0.58 -1.79 -0.09 0.00 -0.02 0.00 0.00 33.50 32.18 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 -1.52 1.58 0.00 6.00 1.13 -1.26 -4.80 117.35 118.48 2nuy s TYR 101 Ca 0.67 -1.53 0.00 0.00 -1.41 0.00 0.00 57.07 54.80 2nuy s TYR 101 Cb -0.51 -0.71 0.00 0.00 -1.10 0.00 0.00 41.96 39.64 2nuy s TYR 101 CO 0.55 -0.74 0.00 0.98 -2.51 0.00 0.00 175.55 173.83 2nuy n TYR 102 N -0.53 0.00 -1.96 -3.49 4.19 -1.26 -4.90 117.16 109.21 2nuy n TYR 102 Ca 0.05 0.00 -0.42 0.00 3.31 0.00 0.00 57.90 60.83 2nuy n TYR 102 Cb 0.64 0.00 -0.03 0.00 0.49 0.00 0.00 39.34 40.44 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 1.92 0.63 2.98 0.40 -1.26 -4.99 117.98 117.66 2nuy s PHE 103 Ca 0.00 0.11 -0.06 0.00 -0.60 0.00 0.00 56.93 56.39 2nuy s PHE 103 Cb 0.00 -3.96 0.03 0.00 0.51 0.00 0.00 43.02 39.59 2nuy s PHE 103 CO 0.00 -4.08 0.94 -1.25 0.70 0.00 0.00 175.22 171.52 2nuy s PRO 104 N 3.97 2.65 -1.67 0.24 0.04 -1.26 -4.42 135.00 134.55 2nuy s PRO 104 Ca 0.75 -0.13 -0.03 0.00 0.04 0.00 0.00 61.00 61.64 2nuy s PRO 104 Cb -0.35 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 31.95 2nuy s PRO 104 CO 0.31 -0.89 0.35 0.54 0.04 0.00 0.00 177.00 177.35 2nuy n ARG 105 N -2.69 -3.52 -2.96 4.56 1.74 -1.26 -4.98 116.66 107.55 2nuy n ARG 105 Ca 0.06 0.96 -0.40 0.00 -0.77 0.00 0.00 57.85 57.71 2nuy n ARG 105 Cb 0.59 -5.75 -0.06 0.00 -1.02 0.00 0.00 32.46 26.22 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 -6.42 4.56 0.56 0.55 1.43 -1.26 -5.03 118.68 113.08 2nuy s LEU 106 Ca 0.17 1.63 -0.20 0.00 -1.03 0.00 0.00 54.13 54.70 2nuy s LEU 106 Cb -0.08 -3.31 -0.05 0.00 0.03 0.00 0.00 46.19 42.79 2nuy s LEU 106 CO 0.21 0.15 1.19 -2.84 0.23 0.00 0.00 176.35 175.30 2nuy s PRO 107 N -0.85 3.15 0.34 1.29 0.02 -1.26 -4.90 135.00 132.79 2nuy s PRO 107 Ca 0.37 1.79 0.09 0.00 0.02 0.00 0.00 61.00 63.27 2nuy s PRO 107 Cb -0.23 -2.01 0.82 0.00 0.02 0.00 0.00 34.50 33.10 2nuy s PRO 107 CO 0.26 -1.05 1.82 1.49 -0.33 0.00 0.00 177.00 179.19 2nuy h GLU 108 N 1.11 0.67 -0.16 5.54 4.81 -2.02 -0.93 114.58 123.61 2nuy h GLU 108 Ca -0.50 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 58.73 2nuy h GLU 108 Cb 1.28 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 2nuy h GLU 108 CO 0.56 0.44 0.18 1.57 -0.73 0.00 0.00 179.01 181.03 2nuy h LYS 109 N 0.69 0.00 -0.34 1.92 2.10 -1.99 -1.08 116.57 117.87 2nuy h LYS 109 Ca 0.51 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 59.11 2nuy h LYS 109 Cb 0.88 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.20 2nuy h LYS 109 CO -0.28 0.00 0.00 0.74 -2.00 0.00 0.00 179.45 177.92 2nuy h PHE 110 N 0.00 0.66 -0.35 0.07 0.05 -1.52 0.63 116.94 116.47 2nuy h PHE 110 Ca 0.07 -0.11 -0.00 0.00 3.82 0.00 0.00 57.97 61.75 2nuy h PHE 110 Cb 0.42 -0.17 -0.02 0.00 2.00 0.00 0.00 35.95 38.19 2nuy h PHE 110 CO 0.00 0.71 0.22 -0.07 -0.18 0.00 0.00 178.31 178.99 2nuy h LEU 111 N 0.41 0.42 -0.09 1.54 4.07 -1.32 -1.00 115.31 119.35 2nuy h LEU 111 Ca 0.10 -0.05 0.01 0.00 0.08 0.00 0.00 57.88 58.02 2nuy h LEU 111 Cb 0.45 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 2nuy h LEU 111 CO 0.02 0.34 0.02 0.00 -1.08 0.00 0.00 178.44 177.74 2nuy h ALA 112 N 1.10 0.09 -0.53 1.53 0.00 -1.22 -2.47 119.26 117.75 2nuy h ALA 112 Ca 0.13 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2nuy h ALA 112 Cb -0.00 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2nuy h ALA 112 CO -0.02 -0.45 0.19 0.87 0.00 0.00 0.00 179.25 179.84 2nuy h LYS 113 N 0.06 0.77 0.63 0.00 1.57 -0.68 -0.44 116.57 118.48 2nuy h LYS 113 Ca 0.04 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2nuy h LYS 113 Cb 0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2nuy h LYS 113 CO -0.05 0.65 -0.44 -0.92 -0.57 0.00 0.00 179.45 178.12 2nuy h TYR 114 N 0.76 -1.18 -0.70 -1.35 3.20 -0.93 -1.92 116.97 114.85 2nuy h TYR 114 Ca 0.18 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 2nuy h TYR 114 Cb 0.18 0.43 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 2nuy h TYR 114 CO 0.01 -0.64 0.33 1.88 -1.64 0.00 0.00 178.16 178.10 2nuy h TYR 115 N -1.03 1.00 -0.81 -3.82 -1.99 -1.19 -2.57 116.97 106.56 2nuy h TYR 115 Ca -0.08 -0.04 0.04 0.00 2.00 0.00 0.00 58.73 60.66 2nuy h TYR 115 Cb 0.85 -0.31 -0.05 0.00 2.00 0.00 0.00 36.73 39.22 2nuy h TYR 115 CO -0.14 0.73 0.53 0.93 -0.00 0.00 0.00 178.16 180.21 2nuy h GLU 116 N 1.00 0.94 -0.56 4.88 5.08 -0.91 0.53 114.58 125.53 2nuy h GLU 116 Ca 0.24 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.44 2nuy h GLU 116 Cb 0.11 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2nuy h GLU 116 CO -0.03 0.62 -0.08 1.49 -1.00 0.00 0.00 179.01 180.00 2nuy h GLU 117 N 0.96 1.05 -0.53 2.33 4.57 -0.96 0.66 114.58 122.67 2nuy h GLU 117 Ca 0.33 -0.38 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 2nuy h GLU 117 Cb 0.10 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 2nuy h GLU 117 CO -0.10 1.07 0.11 0.82 -1.18 0.00 0.00 179.01 179.73 2nuy h ILE 118 N 0.93 1.25 -0.13 2.32 2.04 -1.10 -2.91 117.51 119.91 2nuy h ILE 118 Ca 0.15 -0.90 -0.07 0.00 1.00 0.00 0.00 64.86 65.03 2nuy h ILE 118 Cb 0.66 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2nuy h ILE 118 CO 0.05 0.33 -0.25 0.00 0.00 0.00 0.00 178.15 178.27 2nuy h ALA 119 N 1.00 1.34 0.00 1.87 0.00 -0.68 -1.51 119.26 121.28 2nuy h ALA 119 Ca 0.16 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2nuy h ALA 119 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2nuy h ALA 119 CO 0.01 0.45 -0.41 -0.09 0.00 0.00 0.00 179.25 179.20 2nuy h ARG 120 N 0.21 0.00 0.00 0.00 2.43 -0.67 -3.34 114.38 113.01 2nuy h ARG 120 Ca 0.03 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 2nuy h ARG 120 Cb 0.56 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 2nuy h ARG 120 CO 0.04 0.41 -1.63 -0.89 -1.51 0.00 0.00 179.97 176.39 2nuy n ILE 121 N -3.97 0.33 -2.38 1.20 2.08 -1.13 -5.01 119.36 110.48 2nuy n ILE 121 Ca -0.02 -0.36 -0.41 0.00 0.56 0.00 0.00 62.75 62.53 2nuy n ILE 121 Cb 0.45 -0.19 -0.04 0.00 -0.75 0.00 0.00 39.64 39.12 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 -3.79 7.13 -0.01 4.38 0.15 -0.58 -4.90 113.70 116.07 2nuy s SER 122 Ca -0.05 2.36 0.15 0.00 0.70 0.00 0.00 55.95 59.11 2nuy s SER 122 Cb 0.06 -2.63 0.44 0.00 -1.71 0.00 0.00 66.02 62.18 2nuy s SER 122 CO 0.47 -0.27 1.37 -1.54 1.20 0.00 0.00 173.24 174.47 2nuy n SER 123 N 1.34 3.38 -4.63 5.45 3.41 -1.26 -4.95 113.62 116.35 2nuy n SER 123 Ca 0.00 -2.05 -0.24 0.00 -0.26 0.00 0.00 58.87 56.32 2nuy n SER 123 Cb 0.44 -0.34 -0.08 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.09 2.71 0.33 7.33 3.76 -1.26 -5.09 115.29 121.99 2nuy s HIS 124 Ca 0.34 -0.21 -0.28 0.00 -0.15 0.00 0.00 55.06 54.76 2nuy s HIS 124 Cb 0.18 -1.25 -0.12 0.00 1.11 0.00 0.00 32.58 32.50 2nuy s HIS 124 CO 0.22 0.58 1.31 0.43 -0.85 0.00 0.00 174.74 176.42 2nuy n SER 125 N -0.53 2.81 -4.67 1.40 7.64 -1.26 -4.67 113.62 114.33 2nuy n SER 125 Ca -0.08 1.20 -0.37 0.00 1.01 0.00 0.00 58.87 60.63 2nuy n SER 125 Cb 0.57 -1.48 -0.08 0.00 -1.01 0.00 0.00 64.21 62.20 2nuy n SER 125 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2nuy s LEU 126 N -0.95 4.14 -0.28 -3.43 2.96 -1.26 -1.05 118.68 118.80 2nuy s LEU 126 Ca 0.56 0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 54.75 2nuy s LEU 126 Cb -0.57 -2.30 0.03 0.00 0.50 0.00 0.00 46.19 43.84 2nuy s LEU 126 CO 0.61 -0.00 0.01 -0.31 -1.32 0.00 0.00 176.35 175.34 2nuy s TYR 127 N 1.16 3.15 0.07 5.38 1.51 0.00 -1.11 117.35 127.52 2nuy s TYR 127 Ca 0.13 -1.43 -0.30 0.00 -1.01 0.00 0.00 57.07 54.46 2nuy s TYR 127 Cb -0.14 -2.15 -0.05 0.00 -0.11 0.00 0.00 41.96 39.51 2nuy s TYR 127 CO 0.06 -0.70 0.96 0.42 -1.11 0.00 0.00 175.55 175.18 2nuy s ILE 128 N 1.37 4.62 -0.34 2.71 -1.09 -0.31 -3.11 121.20 125.05 2nuy s ILE 128 Ca -0.00 2.06 -0.05 0.00 -2.23 0.00 0.00 60.65 60.43 2nuy s ILE 128 Cb -0.18 -4.32 0.05 0.00 -1.58 0.00 0.00 42.46 36.44 2nuy s ILE 128 CO -0.01 0.27 0.09 -0.47 -1.23 0.00 0.00 174.94 173.59 2nuy s TYR 129 N 0.32 3.31 -0.35 3.97 5.04 -0.98 -0.46 117.35 128.19 2nuy s TYR 129 Ca 0.48 -1.70 -0.11 0.00 -2.44 0.00 0.00 57.07 53.30 2nuy s TYR 129 Cb -0.23 -2.39 0.01 0.00 0.35 0.00 0.00 41.96 39.71 2nuy s TYR 129 CO 0.29 -0.79 0.20 1.21 -1.34 0.00 0.00 175.55 175.11 2nuy s ASN 130 N 1.46 5.72 -0.42 4.32 2.47 -0.03 -3.86 114.94 124.61 2nuy s ASN 130 Ca -0.01 -0.76 0.06 0.00 0.42 0.00 0.00 52.86 52.56 2nuy s ASN 130 Cb -0.20 -2.04 0.20 0.00 -1.45 0.00 0.00 41.25 37.76 2nuy s ASN 130 CO 0.01 -0.31 0.42 0.00 -3.72 0.00 0.00 177.10 173.50 2nuy n TYR 131 N 5.01 -0.46 -0.31 0.43 4.19 -1.26 -0.89 117.16 123.88 2nuy n TYR 131 Ca -0.13 -3.46 0.10 0.00 3.31 0.00 0.00 57.90 57.72 2nuy n TYR 131 Cb 0.48 -0.02 0.31 0.00 0.49 0.00 0.00 39.34 40.60 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 4.97 0.81 0.00 2.98 0.11 -1.76 -1.09 132.00 138.03 2nuy h PRO 132 Ca 0.19 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.22 2nuy h PRO 132 Cb 0.89 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 2nuy h PRO 132 CO 0.43 0.54 -0.13 0.00 -0.21 0.00 0.00 178.00 178.63 2nuy h ALA 133 N 1.57 1.21 0.05 -0.75 0.00 -1.89 -1.36 119.26 118.09 2nuy h ALA 133 Ca 0.47 -0.12 -0.37 0.00 0.00 0.00 0.00 54.91 54.89 2nuy h ALA 133 Cb 0.60 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2nuy h ALA 133 CO -0.23 0.16 -2.19 0.00 0.00 0.00 0.00 179.25 176.98 2nuy n ALA 134 N -2.25 1.14 -0.02 0.00 0.00 -0.54 -4.66 120.51 114.18 2nuy n ALA 134 Ca -0.01 -0.84 -0.03 0.00 0.00 0.00 0.00 53.44 52.55 2nuy n ALA 134 Cb 0.27 -0.36 -0.13 0.00 0.00 0.00 0.00 19.45 19.23 2nuy n ALA 134 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2nuy n THR 135 N -3.52 1.21 -0.28 0.00 -2.24 -0.53 -4.75 114.28 104.17 2nuy n THR 135 Ca -0.40 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.64 2nuy n THR 135 Cb 0.98 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 2nuy n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nuy n GLY 136 N 1.51 0.66 3.10 3.38 0.00 -0.51 -4.09 105.19 109.24 2nuy n GLY 136 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.50 1.16 -0.27 1.61 1.51 -1.26 -5.01 117.35 112.59 2nuy s TYR 137 Ca 0.00 -0.25 -0.07 0.00 -1.01 0.00 0.00 57.07 55.75 2nuy s TYR 137 Cb 0.00 -0.73 -0.01 0.00 -0.11 0.00 0.00 41.96 41.11 2nuy s TYR 137 CO 0.00 -0.01 0.06 0.34 -1.11 0.00 0.00 175.55 174.83 2nuy s ASP 138 N -0.50 5.01 -0.35 2.29 2.15 -1.26 -3.87 116.67 120.14 2nuy s ASP 138 Ca 0.04 -0.46 -0.29 0.00 0.43 0.00 0.00 52.55 52.27 2nuy s ASP 138 Cb -0.06 -1.88 0.01 0.00 -0.30 0.00 0.00 42.92 40.70 2nuy s ASP 138 CO -0.00 -0.10 1.22 -0.63 -0.17 0.00 0.00 175.17 175.48 2nuy s ILE 139 N 1.54 4.23 0.29 4.11 1.01 -1.26 -5.01 121.20 126.13 2nuy s ILE 139 Ca 0.05 1.37 -0.15 0.00 0.00 0.00 0.00 60.65 61.92 2nuy s ILE 139 Cb -0.16 -4.32 -0.09 0.00 0.01 0.00 0.00 42.46 37.91 2nuy s ILE 139 CO 0.02 -0.60 0.71 -2.16 0.00 0.00 0.00 174.94 172.91 2nuy s PRO 140 N 4.15 4.02 0.53 2.79 0.04 -1.26 -4.95 135.00 140.32 2nuy s PRO 140 Ca 0.52 0.65 0.41 0.00 0.04 0.00 0.00 61.00 62.62 2nuy s PRO 140 Cb -0.13 -2.53 1.59 0.00 0.04 0.00 0.00 34.50 33.47 2nuy s PRO 140 CO 0.23 0.22 1.69 -1.35 0.04 0.00 0.00 177.00 177.84 2nuy h PRO 141 N 2.50 0.03 -0.87 0.56 0.11 -1.99 -1.32 132.00 131.02 2nuy h PRO 141 Ca -0.48 -0.00 0.23 0.00 0.11 0.00 0.00 66.00 65.86 2nuy h PRO 141 Cb 1.18 -0.01 -0.14 0.00 0.11 0.00 0.00 31.00 32.14 2nuy h PRO 141 CO 0.66 0.02 0.22 0.77 -0.21 0.00 0.00 178.00 179.45 2nuy h SER 142 N 0.03 -0.03 0.75 -2.05 0.02 -1.99 0.24 113.55 110.51 2nuy h SER 142 Ca 0.74 0.20 -0.25 0.00 -0.84 0.00 0.00 61.79 61.64 2nuy h SER 142 Cb 2.86 0.28 -0.03 0.00 0.14 0.00 0.00 62.40 65.65 2nuy h SER 142 CO -0.06 -0.16 -1.30 0.40 -1.14 0.00 0.00 176.83 174.56 2nuy h ILE 143 N 0.20 1.36 -0.13 3.27 2.04 -1.63 -3.37 117.51 119.25 2nuy h ILE 143 Ca 0.54 -3.10 -0.15 0.00 1.00 0.00 0.00 64.86 63.16 2nuy h ILE 143 Cb 1.09 2.71 -0.01 0.00 -0.74 0.00 0.00 36.82 39.86 2nuy h ILE 143 CO -0.66 0.80 -0.55 -0.07 0.00 0.00 0.00 178.15 177.67 2nuy h LEU 144 N 0.01 0.42 -2.13 1.44 3.38 -1.05 -3.05 115.31 114.34 2nuy h LEU 144 Ca -0.13 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.65 2nuy h LEU 144 Cb 1.89 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.51 2nuy h LEU 144 CO 0.12 0.89 0.09 0.11 0.09 0.00 0.00 178.44 179.74 2nuy h LYS 145 N 0.29 0.00 0.00 1.13 1.57 -1.18 -2.05 116.57 116.32 2nuy h LYS 145 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 2nuy h LYS 145 Cb 1.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 2nuy h LYS 145 CO 0.09 0.00 -0.62 1.03 -0.57 0.00 0.00 179.45 179.39 2nuy h SER 146 N 0.00 0.00 -2.82 0.86 0.87 -1.73 -3.47 113.55 107.27 2nuy h SER 146 Ca 0.05 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 60.14 2nuy h SER 146 Cb 0.24 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2nuy h SER 146 CO -0.00 0.60 -0.20 -0.76 -0.53 0.00 0.00 176.83 175.94 2nuy s LEU 147 N -6.49 4.03 -1.30 2.23 1.43 -0.77 -5.01 118.68 112.79 2nuy s LEU 147 Ca 0.03 0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 53.49 2nuy s LEU 147 Cb 0.08 -3.31 0.15 0.00 0.03 0.00 0.00 46.19 43.13 2nuy s LEU 147 CO 0.76 -0.28 1.91 -0.81 0.23 0.00 0.00 176.35 178.17 2nuy n PRO 148 N -1.69 3.50 -2.64 1.29 -0.04 -1.26 -4.97 135.00 129.19 2nuy n PRO 148 Ca -0.05 -3.40 -0.42 0.00 -0.04 0.00 0.00 63.50 59.59 2nuy n PRO 148 Cb 0.56 -2.98 -0.03 0.00 -0.04 0.00 0.00 33.50 31.01 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 0.85 4.65 -0.24 0.52 1.01 -1.26 -4.26 120.40 121.67 2nuy s VAL 149 Ca 0.41 1.90 0.02 0.00 0.00 0.00 0.00 61.98 64.31 2nuy s VAL 149 Cb 0.10 -4.22 -0.18 0.00 0.00 0.00 0.00 36.38 32.08 2nuy s VAL 149 CO -0.01 0.15 -0.16 1.17 0.00 0.00 0.00 175.10 176.25 2nuy n LYS 150 N 3.92 0.66 -3.81 2.72 3.00 -0.27 -4.76 118.16 119.62 2nuy n LYS 150 Ca 0.07 0.16 -0.09 0.00 -0.00 0.00 0.00 58.31 58.44 2nuy n LYS 150 Cb 0.50 -1.54 -0.06 0.00 0.00 0.00 0.00 35.03 33.93 2nuy n LYS 150 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2nuy s GLY 151 N -6.40 0.05 -0.03 3.14 0.00 -1.08 -1.32 107.32 101.68 2nuy s GLY 151 Ca -0.33 -0.49 0.01 0.00 0.00 0.00 0.00 44.72 43.91 2nuy s GLY 151 CO 0.62 -0.65 -0.03 -0.42 0.00 0.00 0.00 173.10 172.62 2nuy s ILE 152 N -3.86 0.37 -0.35 0.90 1.01 0.83 -1.16 121.20 118.94 2nuy s ILE 152 Ca 0.07 -0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.53 2nuy s ILE 152 Cb 0.03 -0.41 -0.00 0.00 0.01 0.00 0.00 42.46 42.10 2nuy s ILE 152 CO -0.09 0.17 0.22 -0.75 0.00 0.00 0.00 174.94 174.49 2nuy s LYS 153 N 0.71 3.25 -0.33 2.79 2.20 0.40 -0.79 119.74 127.97 2nuy s LYS 153 Ca -0.08 -0.80 -0.06 0.00 -0.36 0.00 0.00 55.97 54.66 2nuy s LYS 153 Cb -0.11 -3.76 0.03 0.00 -1.51 0.00 0.00 37.83 32.48 2nuy s LYS 153 CO -0.01 -0.53 0.09 0.34 -0.36 0.00 0.00 175.35 174.89 2nuy s ASP 154 N 1.66 5.25 -0.49 1.43 2.15 0.77 -0.85 116.67 126.58 2nuy s ASP 154 Ca 0.05 -1.07 -0.17 0.00 0.43 0.00 0.00 52.55 51.78 2nuy s ASP 154 Cb -0.18 -1.86 0.07 0.00 -0.30 0.00 0.00 42.92 40.65 2nuy s ASP 154 CO 0.09 -0.30 0.52 -0.89 -0.17 0.00 0.00 175.17 174.42 2nuy s THR 155 N 1.41 5.04 -0.28 1.71 2.01 -0.07 -1.32 115.64 124.15 2nuy s THR 155 Ca -0.01 -0.78 -0.21 0.00 0.31 0.00 0.00 61.69 61.00 2nuy s THR 155 Cb -0.19 -4.22 0.10 0.00 0.01 0.00 0.00 72.50 68.20 2nuy s THR 155 CO 0.02 -0.71 0.84 0.21 -0.69 0.00 0.00 174.62 174.30 2nuy s ASN 156 N 2.68 -0.68 0.00 3.53 3.84 -1.26 -4.34 114.94 118.70 2nuy s ASN 156 Ca 0.10 1.20 0.24 0.00 0.21 0.00 0.00 52.86 54.61 2nuy s ASN 156 Cb -0.22 1.25 1.12 0.00 -0.55 0.00 0.00 41.25 42.85 2nuy s ASN 156 CO 0.09 -0.20 1.79 0.00 -2.79 0.00 0.00 177.10 176.00 2nuy n GLN 157 N 3.24 0.15 -3.18 0.43 1.13 -1.26 -4.53 117.38 113.36 2nuy n GLN 157 Ca -0.16 0.07 -0.45 0.00 -1.94 0.00 0.00 57.00 54.52 2nuy n GLN 157 Cb 0.57 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.38 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 -2.82 6.29 0.45 1.08 -1.08 -1.26 -4.93 116.67 114.39 2nuy s ASP 158 Ca 0.17 -1.73 0.16 0.00 -0.52 0.00 0.00 52.55 50.63 2nuy s ASP 158 Cb 0.16 -2.27 1.09 0.00 -1.46 0.00 0.00 42.92 40.43 2nuy s ASP 158 CO 0.41 -0.98 1.98 -0.07 0.52 0.00 0.00 175.17 177.03 2nuy h LEU 159 N 9.44 0.31 -2.01 -1.34 3.38 -2.01 0.70 115.31 123.79 2nuy h LEU 159 Ca -0.22 0.01 0.11 0.00 0.09 0.00 0.00 57.88 57.87 2nuy h LEU 159 Cb 1.08 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2nuy h LEU 159 CO 1.04 0.18 0.28 0.00 0.09 0.00 0.00 178.44 180.03 2nuy h ALA 160 N 1.70 2.35 -0.14 1.53 0.00 -1.97 0.28 119.26 123.01 2nuy h ALA 160 Ca 0.28 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2nuy h ALA 160 Cb 0.63 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2nuy h ALA 160 CO -0.07 -0.47 -0.08 1.25 0.00 0.00 0.00 179.25 179.87 2nuy h HIS 161 N 0.00 0.36 -0.38 0.00 -0.00 -1.26 -1.68 115.15 112.18 2nuy h HIS 161 Ca 0.18 -0.09 -0.08 0.00 -0.00 0.00 0.00 60.37 60.37 2nuy h HIS 161 Cb 0.73 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 28.05 2nuy h HIS 161 CO 0.00 0.65 -0.11 0.77 -0.00 0.00 0.00 177.93 179.24 2nuy h SER 162 N -0.04 0.66 0.55 3.26 0.02 -1.36 -2.73 113.55 113.92 2nuy h SER 162 Ca 0.03 -0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 60.71 2nuy h SER 162 Cb 0.57 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2nuy h SER 162 CO 0.02 0.80 -0.39 0.25 -1.14 0.00 0.00 176.83 176.38 2nuy h LEU 163 N 0.61 0.00 -1.20 5.07 5.85 -0.90 -2.91 115.31 121.84 2nuy h LEU 163 Ca 0.11 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 2nuy h LEU 163 Cb 0.55 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2nuy h LEU 163 CO 0.03 0.39 -0.18 -0.08 -0.34 0.00 0.00 178.44 178.26 2nuy h GLU 164 N 0.00 0.34 -0.30 1.25 4.81 -0.98 -2.56 114.58 117.15 2nuy h GLU 164 Ca -0.00 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 2nuy h GLU 164 Cb 0.77 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 2nuy h GLU 164 CO 0.05 0.51 0.05 1.88 -0.73 0.00 0.00 179.01 180.78 2nuy h TYR 165 N 0.31 0.52 -0.82 0.92 0.05 -1.54 -1.60 116.97 114.81 2nuy h TYR 165 Ca 0.06 -0.07 0.13 0.00 0.05 0.00 0.00 58.73 58.90 2nuy h TYR 165 Cb 0.50 -0.14 -0.09 0.00 1.01 0.00 0.00 36.73 38.01 2nuy h TYR 165 CO 0.01 0.57 0.41 -0.22 -1.05 0.00 0.00 178.16 177.89 2nuy h LYS 166 N 0.31 0.60 0.04 4.88 1.63 -1.48 0.15 116.57 122.70 2nuy h LYS 166 Ca 0.09 -0.04 -0.26 0.00 -0.85 0.00 0.00 60.65 59.59 2nuy h LYS 166 Cb 0.33 -0.14 0.02 0.00 -0.60 0.00 0.00 32.23 31.84 2nuy h LYS 166 CO 0.00 0.40 -1.07 -0.07 -3.45 0.00 0.00 179.45 175.26 2nuy h LEU 167 N 0.62 0.76 0.00 5.20 3.38 -1.35 -3.34 115.31 120.58 2nuy h LEU 167 Ca 0.43 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2nuy h LEU 167 Cb 0.58 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2nuy h LEU 167 CO -0.34 1.45 -0.72 0.78 0.09 0.00 0.00 178.44 179.70 2nuy h ASN 168 N 0.30 0.00 -3.22 -0.43 4.21 -0.91 -3.41 115.58 112.11 2nuy h ASN 168 Ca -0.13 -0.20 -0.62 0.00 1.21 0.00 0.00 56.30 56.56 2nuy h ASN 168 Cb 1.73 0.00 -0.41 0.00 -1.12 0.00 0.00 38.32 38.52 2nuy h ASN 168 CO 0.20 0.10 -0.63 -0.76 -1.29 0.00 0.00 177.43 175.05 2nuy s LEU 169 N -4.39 4.34 0.09 1.61 1.43 0.49 -4.99 118.68 117.26 2nuy s LEU 169 Ca 0.05 -3.62 -0.35 0.00 -1.03 0.00 0.00 54.13 49.18 2nuy s LEU 169 Cb 0.13 -1.50 -0.14 0.00 0.03 0.00 0.00 46.19 44.71 2nuy s LEU 169 CO 0.74 -0.12 1.59 -2.65 0.23 0.00 0.00 176.35 176.14 2nuy n PRO 170 N 2.27 1.92 0.00 1.29 -0.02 -1.26 -2.16 135.00 137.04 2nuy n PRO 170 Ca 0.18 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 2nuy n PRO 170 Cb 0.36 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2nuy n PRO 170 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nuy n GLY 171 N 3.44 2.51 3.74 -1.23 0.00 -1.26 -5.03 105.19 107.36 2nuy n GLY 171 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.21 3.73 -0.05 1.61 1.01 -0.92 -4.98 120.40 118.60 2nuy s VAL 172 Ca 0.00 1.56 -0.26 0.00 0.00 0.00 0.00 61.98 63.27 2nuy s VAL 172 Cb 0.00 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2nuy s VAL 172 CO 0.00 0.30 0.83 -0.54 0.00 0.00 0.00 175.10 175.69 2nuy s LYS 173 N -0.66 4.48 -0.12 2.72 -0.14 -0.44 -4.88 119.74 120.70 2nuy s LYS 173 Ca 0.48 1.13 0.01 0.00 -1.36 0.00 0.00 55.97 56.23 2nuy s LYS 173 Cb -0.30 -3.46 -0.01 0.00 -1.68 0.00 0.00 37.83 32.37 2nuy s LYS 173 CO 0.37 -0.02 -0.16 0.08 -0.76 0.00 0.00 175.35 174.86 2nuy s VAL 174 N 1.02 2.79 -0.06 3.17 1.01 -1.26 -0.12 120.40 126.95 2nuy s VAL 174 Ca 0.44 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.69 2nuy s VAL 174 Cb -0.19 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.05 2nuy s VAL 174 CO 0.22 0.53 -0.16 -0.31 0.00 0.00 0.00 175.10 175.39 2nuy s TYR 175 N 0.33 1.71 0.10 5.22 1.51 0.03 -1.19 117.35 125.06 2nuy s TYR 175 Ca -0.13 -0.61 -0.16 0.00 -1.01 0.00 0.00 57.07 55.17 2nuy s TYR 175 Cb -0.16 -1.20 -0.07 0.00 -0.11 0.00 0.00 41.96 40.42 2nuy s TYR 175 CO 0.07 -0.27 0.54 1.21 -1.11 0.00 0.00 175.55 175.99 2nuy s ASN 176 N 0.42 6.91 -0.25 2.29 3.84 -1.18 -0.16 114.94 126.81 2nuy s ASN 176 Ca -0.12 1.13 0.14 0.00 0.21 0.00 0.00 52.86 54.21 2nuy s ASN 176 Cb -0.15 -2.31 0.76 0.00 -0.55 0.00 0.00 41.25 39.01 2nuy s ASN 176 CO 0.04 0.20 1.71 0.61 -2.79 0.00 0.00 177.10 176.87 2nuy n GLY 177 N 1.27 3.33 3.68 1.21 0.00 -0.43 -2.32 105.19 111.92 2nuy n GLY 177 Ca -0.08 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.05 5.56 0.38 1.61 0.15 -1.26 -4.70 113.70 114.39 2nuy s SER 178 Ca 0.53 0.14 0.17 0.00 0.70 0.00 0.00 55.95 57.50 2nuy s SER 178 Cb 0.41 -1.82 0.75 0.00 -1.71 0.00 0.00 66.02 63.65 2nuy s SER 178 CO 0.14 0.27 1.78 0.78 1.20 0.00 0.00 173.24 177.42 2nuy h ASN 179 N 5.98 0.00 0.07 5.45 2.35 -1.93 -3.10 115.58 124.40 2nuy h ASN 179 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 2nuy h ASN 179 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 2nuy h ASN 179 CO 0.63 0.37 -0.01 0.35 -1.65 0.00 0.00 177.43 177.12 2nuy n THR 180 N -3.71 0.00 -0.19 2.81 -2.24 -1.26 -3.66 114.28 106.03 2nuy n THR 180 Ca -0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2nuy n THR 180 Cb 0.46 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 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 -0.74 1.54 -0.25 3.22 4.77 -1.17 -4.87 117.00 119.49 2nuy n LEU 181 Ca 0.21 -1.54 0.02 0.00 -0.03 0.00 0.00 56.01 54.68 2nuy n LEU 181 Cb 0.19 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.38 2nuy n LEU 181 CO 0.19 0.38 0.74 0.40 -1.33 0.00 0.00 177.39 177.77 2nuy h ILE 182 N 0.54 0.29 -0.89 -0.08 2.04 -1.63 -0.12 117.51 117.67 2nuy h ILE 182 Ca 0.00 -0.01 0.12 0.00 1.00 0.00 0.00 64.86 65.97 2nuy h ILE 182 Cb 0.55 0.26 -0.08 0.00 -0.74 0.00 0.00 36.82 36.81 2nuy h ILE 182 CO 0.00 0.00 0.52 0.22 0.00 0.00 0.00 178.15 178.89 2nuy h TYR 183 N 0.02 0.93 -0.03 1.37 5.03 -1.89 -0.04 116.97 122.36 2nuy h TYR 183 Ca 0.37 0.03 -0.22 0.00 2.58 0.00 0.00 58.73 61.49 2nuy h TYR 183 Cb 0.58 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.58 2nuy h TYR 183 CO -0.54 0.34 -0.90 1.88 -1.32 0.00 0.00 178.16 177.62 2nuy h TYR 184 N 0.82 0.68 -0.45 -3.82 0.05 -1.44 -3.10 116.97 109.70 2nuy h TYR 184 Ca 0.45 -0.35 -0.08 0.00 0.05 0.00 0.00 58.73 58.80 2nuy h TYR 184 Cb 0.48 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 2nuy h TYR 184 CO -0.05 1.16 -0.02 0.77 -1.05 0.00 0.00 178.16 178.97 2nuy h SER 185 N 0.28 0.81 0.27 3.88 0.02 -0.65 -2.39 113.55 115.77 2nuy h SER 185 Ca -0.07 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2nuy h SER 185 Cb 1.52 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.84 2nuy h SER 185 CO 0.16 0.93 0.00 0.18 -1.14 0.00 0.00 176.83 176.96 2nuy n LEU 186 N -4.35 0.27 -0.53 5.07 4.77 -0.09 -0.72 117.00 121.42 2nuy n LEU 186 Ca 0.00 0.59 0.05 0.00 -0.03 0.00 0.00 56.01 56.63 2nuy n LEU 186 Cb 0.32 -0.59 0.10 0.00 -2.33 0.00 0.00 43.42 40.91 2nuy n LEU 186 CO 0.42 -0.55 0.52 0.18 -1.33 0.00 0.00 177.39 176.63 2nuy n LEU 187 N -1.83 2.40 0.00 2.23 4.77 -0.93 -4.80 117.00 118.85 2nuy n LEU 187 Ca 0.01 -1.49 0.00 0.00 -0.03 0.00 0.00 56.01 54.50 2nuy n LEU 187 Cb 0.10 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2nuy n LEU 187 CO 0.10 0.54 0.00 -1.54 -1.33 0.00 0.00 177.39 175.16 2nuy n SER 188 N 0.55 0.00 -0.49 -1.43 3.41 -0.74 -5.08 113.62 109.84 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 -0.20 0.00 -0.44 1.04 4.77 0.10 -5.04 117.00 117.23 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 0.21 0.00 -2.33 0.00 0.00 43.42 41.30 2nuy n LEU 189 CO 0.00 -0.04 0.53 0.47 -1.33 0.00 0.00 177.39 177.02 2nuy n ASP 190 N -0.41 1.68 0.00 -1.43 8.00 -0.33 -4.85 116.55 119.20 2nuy n ASP 190 Ca 0.00 -1.32 0.00 0.00 0.71 0.00 0.00 54.79 54.18 2nuy n ASP 190 Cb 0.00 0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 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 1.36 -0.30 3.05 0.44 0.00 -1.24 -1.74 105.19 106.77 2nuy n GLY 191 Ca 0.12 -1.34 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.93 0.14 -0.43 1.61 -7.23 -0.51 -3.08 120.40 107.97 2nuy s VAL 192 Ca 0.00 -1.12 0.04 0.00 -1.81 0.00 0.00 61.98 59.09 2nuy s VAL 192 Cb 0.00 -0.71 0.12 0.00 0.56 0.00 0.00 36.38 36.34 2nuy s VAL 192 CO 0.00 -0.62 0.16 -0.69 -0.31 0.00 0.00 175.10 173.64 2nuy s VAL 193 N -2.28 2.33 -0.15 1.32 1.01 -0.98 -0.90 120.40 120.75 2nuy s VAL 193 Ca -0.08 -2.77 0.01 0.00 0.00 0.00 0.00 61.98 59.13 2nuy s VAL 193 Cb -0.04 -2.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 2nuy s VAL 193 CO -0.04 -0.71 -0.16 0.00 0.00 0.00 0.00 175.10 174.19 2nuy s ALA 194 N 0.35 2.45 0.39 5.51 0.00 -1.05 -4.24 121.76 125.17 2nuy s ALA 194 Ca 0.14 -1.04 0.08 0.00 0.00 0.00 0.00 51.96 51.14 2nuy s ALA 194 Cb -0.22 -1.17 0.84 0.00 0.00 0.00 0.00 23.12 22.56 2nuy s ALA 194 CO -0.05 -0.01 1.98 0.66 0.00 0.00 0.00 175.76 178.34 2nuy h SER 195 N 7.26 0.56 0.25 0.00 4.64 -1.88 -1.71 113.55 122.66 2nuy h SER 195 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2nuy h SER 195 Cb 1.19 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2nuy h SER 195 CO 0.56 0.36 0.00 -0.26 -0.87 0.00 0.00 176.83 176.62 2nuy h PHE 196 N 0.63 0.00 -0.01 4.77 -1.00 -1.95 -1.94 116.94 117.44 2nuy h PHE 196 Ca 0.28 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.07 2nuy h PHE 196 Cb 0.30 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.86 2nuy h PHE 196 CO -0.00 0.00 0.07 1.79 -1.61 0.00 0.00 178.31 178.56 2nuy h THR 197 N 0.00 0.06 -0.15 -1.55 1.35 -1.59 -0.86 112.91 110.16 2nuy h THR 197 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 2nuy h THR 197 Cb 0.12 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 2nuy h THR 197 CO 0.00 0.00 0.02 0.78 -0.25 0.00 0.00 175.52 176.07 2nuy h ASN 198 N 0.00 0.18 0.00 5.36 2.35 -1.57 -3.19 115.58 118.72 2nuy h ASN 198 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2nuy h ASN 198 Cb 0.15 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.47 2nuy h ASN 198 CO -0.00 0.21 -0.81 2.22 -1.65 0.00 0.00 177.43 177.39 2nuy n PHE 199 N -4.44 0.00 -2.73 1.19 1.16 -0.60 -4.75 117.46 107.29 2nuy n PHE 199 Ca -0.01 0.00 -0.23 0.00 -1.87 0.00 0.00 57.45 55.34 2nuy n PHE 199 Cb 0.14 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.00 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 -1.40 2.11 -0.22 1.97 -5.35 -0.43 -4.64 119.36 111.41 2nuy n ILE 200 Ca 0.00 -4.83 -0.07 0.00 -0.27 0.00 0.00 62.75 57.59 2nuy n ILE 200 Cb 0.14 -0.91 0.04 0.00 -1.74 0.00 0.00 39.64 37.16 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 2.82 0.85 -0.62 6.28 0.13 -1.72 -2.26 132.00 137.47 2nuy h PRO 201 Ca 0.16 -0.09 0.06 0.00 -0.87 0.00 0.00 66.00 65.26 2nuy h PRO 201 Cb 0.83 -0.17 -0.04 0.00 0.13 0.00 0.00 31.00 31.76 2nuy h PRO 201 CO 0.75 0.64 0.41 1.05 -0.23 0.00 0.00 178.00 180.62 2nuy h GLU 202 N 0.83 0.61 -0.45 0.86 9.09 -1.90 -0.77 114.58 122.85 2nuy h GLU 202 Ca 0.22 -0.04 -0.05 0.00 0.05 0.00 0.00 59.36 59.54 2nuy h GLU 202 Cb 0.03 -0.14 -0.02 0.00 -1.65 0.00 0.00 28.75 26.98 2nuy h GLU 202 CO -0.04 0.40 0.08 0.28 0.05 0.00 0.00 179.01 179.79 2nuy h VAL 203 N 0.62 1.24 -0.06 -1.06 2.07 -1.80 0.11 116.25 117.36 2nuy h VAL 203 Ca 0.26 -0.88 -0.22 0.00 0.82 0.00 0.00 66.70 66.68 2nuy h VAL 203 Cb 0.24 0.95 0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2nuy h VAL 203 CO -0.08 0.31 -0.87 0.40 0.02 0.00 0.00 177.57 177.35 2nuy h ILE 204 N 0.61 1.33 -0.24 4.57 2.04 -1.24 -1.56 117.51 123.02 2nuy h ILE 204 Ca 0.14 -2.19 -0.06 0.00 1.00 0.00 0.00 64.86 63.74 2nuy h ILE 204 Cb 0.37 2.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 2nuy h ILE 204 CO 0.01 0.67 -0.13 0.58 0.00 0.00 0.00 178.15 179.28 2nuy h VAL 205 N 0.37 1.22 -0.29 1.67 2.07 -1.10 -2.40 116.25 117.78 2nuy h VAL 205 Ca -0.07 -0.95 -0.12 0.00 0.82 0.00 0.00 66.70 66.38 2nuy h VAL 205 Cb 1.49 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 2nuy h VAL 205 CO 0.16 0.31 -0.32 0.50 0.02 0.00 0.00 177.57 178.24 2nuy h LYS 206 N 0.37 0.62 -0.20 1.57 1.63 -0.70 -1.89 116.57 117.98 2nuy h LYS 206 Ca 0.07 -0.28 0.01 0.00 -0.85 0.00 0.00 60.65 59.60 2nuy h LYS 206 Cb 0.46 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 2nuy h LYS 206 CO 0.03 0.86 0.11 1.96 -3.45 0.00 0.00 179.45 178.96 2nuy h GLN 207 N 0.53 0.22 -0.67 1.90 4.20 -0.80 0.55 115.11 121.05 2nuy h GLN 207 Ca 0.06 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 2nuy h GLN 207 Cb 0.81 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.51 2nuy h GLN 207 CO 0.07 0.15 0.17 -0.09 -0.67 0.00 0.00 178.83 178.45 2nuy h ARG 208 N 0.23 1.07 -0.54 1.46 2.43 -1.35 -0.83 114.38 116.84 2nuy h ARG 208 Ca 0.08 -0.25 -0.09 0.00 -0.81 0.00 0.00 59.98 58.90 2nuy h ARG 208 Cb 0.00 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 2nuy h ARG 208 CO -0.04 0.95 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.90 2nuy h ASP 209 N 0.99 0.92 -0.51 -3.80 3.32 -1.12 0.29 116.42 116.51 2nuy h ASP 209 Ca 0.21 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 2nuy h ASP 209 Cb 0.36 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2nuy h ASP 209 CO 0.00 1.00 0.09 -0.07 -1.72 0.00 0.00 179.24 178.54 2nuy h LEU 210 N 0.87 0.81 -0.96 1.55 3.38 -0.63 -1.94 115.31 118.39 2nuy h LEU 210 Ca 0.16 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 2nuy h LEU 210 Cb 0.54 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2nuy h LEU 210 CO 0.03 0.86 -0.12 0.40 0.09 0.00 0.00 178.44 179.70 2nuy h ILE 211 N 0.73 1.25 0.00 1.22 2.04 -0.92 0.11 117.51 121.94 2nuy h ILE 211 Ca 0.16 -1.10 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 2nuy h ILE 211 Cb 0.39 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2nuy h ILE 211 CO 0.01 0.37 -0.23 0.50 0.00 0.00 0.00 178.15 178.79 2nuy h LYS 212 N 0.56 0.00 -0.01 2.37 3.64 -0.64 -1.59 116.57 120.90 2nuy h LYS 212 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2nuy h LYS 212 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2nuy h LYS 212 CO 0.03 0.23 -0.15 1.04 -2.27 0.00 0.00 179.45 178.34 2nuy n GLN 213 N -4.22 1.05 -0.79 1.90 6.02 -0.75 -4.94 117.38 115.65 2nuy n GLN 213 Ca -0.02 -0.56 0.00 0.00 -0.01 0.00 0.00 57.00 56.41 2nuy n GLN 213 Cb 0.29 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.06 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 1.27 0.60 2.88 1.08 0.00 -0.60 -4.98 105.19 105.44 2nuy n GLY 214 Ca 0.15 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.79 3.90 -0.17 1.61 5.02 0.31 -4.82 118.16 121.22 2nuy n LYS 215 Ca 0.00 -3.79 -0.10 0.00 -2.02 0.00 0.00 58.31 52.40 2nuy n LYS 215 Cb 0.00 -2.80 0.00 0.00 -0.02 0.00 0.00 35.03 32.21 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 7.11 0.88 -0.48 -0.35 3.38 -1.91 -2.72 115.31 121.22 2nuy h LEU 216 Ca 0.36 -0.31 0.09 0.00 0.09 0.00 0.00 57.88 58.11 2nuy h LEU 216 Cb 0.61 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 2nuy h LEU 216 CO 1.55 0.98 0.04 0.44 0.09 0.00 0.00 178.44 181.54 2nuy h ASP 217 N 0.76 -0.12 -0.71 -0.43 3.32 -1.97 0.18 116.42 117.45 2nuy h ASP 217 Ca 0.14 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 2nuy h ASP 217 Cb 0.54 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 2nuy h ASP 217 CO 0.03 -0.03 0.43 0.44 -1.72 0.00 0.00 179.24 178.39 2nuy h ASP 218 N 0.16 0.86 0.10 6.45 3.32 -1.96 -1.11 116.42 124.24 2nuy h ASP 218 Ca 0.24 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 2nuy h ASP 218 Cb 0.34 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2nuy h ASP 218 CO -0.36 0.67 -0.29 0.00 -1.72 0.00 0.00 179.24 177.54 2nuy h ALA 219 N 1.23 1.22 -0.13 3.45 0.00 -0.97 -2.67 119.26 121.39 2nuy h ALA 219 Ca 0.26 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 2nuy h ALA 219 Cb -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2nuy h ALA 219 CO -0.05 0.51 -0.59 1.25 0.00 0.00 0.00 179.25 180.37 2nuy h LEU 220 N 0.26 0.49 -0.67 0.00 5.85 -0.15 -2.49 115.31 118.61 2nuy h LEU 220 Ca 0.04 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 2nuy h LEU 220 Cb 0.65 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2nuy h LEU 220 CO 0.05 0.97 0.15 0.03 -0.34 0.00 0.00 178.44 179.30 2nuy h ARG 221 N 0.33 1.08 -0.55 1.25 2.47 -0.99 -0.50 114.38 117.46 2nuy h ARG 221 Ca -0.00 -0.27 -0.06 0.00 -1.26 0.00 0.00 59.98 58.39 2nuy h ARG 221 Cb 1.13 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 29.29 2nuy h ARG 221 CO 0.10 0.97 0.12 -0.07 0.56 0.00 0.00 179.97 181.65 2nuy h LEU 222 N 1.00 0.81 -0.64 3.04 3.38 -1.43 -2.66 115.31 118.81 2nuy h LEU 222 Ca 0.21 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2nuy h LEU 222 Cb 0.39 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2nuy h LEU 222 CO 0.01 0.81 0.10 -0.61 0.09 0.00 0.00 178.44 178.83 2nuy h GLN 223 N 0.83 1.07 -0.91 1.13 5.75 -0.93 -1.58 115.11 120.47 2nuy h GLN 223 Ca 0.18 -0.29 0.03 0.00 -0.15 0.00 0.00 58.65 58.42 2nuy h GLN 223 Cb 0.33 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.70 2nuy h GLN 223 CO 0.00 0.99 0.59 0.93 -2.65 0.00 0.00 178.83 178.70 2nuy h GLU 224 N 0.99 1.12 -0.50 1.69 5.08 -0.80 -0.09 114.58 122.06 2nuy h GLU 224 Ca 0.19 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 2nuy h GLU 224 Cb 0.45 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2nuy h GLU 224 CO 0.01 0.74 0.01 -0.07 -1.00 0.00 0.00 179.01 178.71 2nuy h LEU 225 N 1.16 0.86 -0.35 1.33 3.38 -1.16 -2.34 115.31 118.18 2nuy h LEU 225 Ca 0.36 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 58.06 2nuy h LEU 225 Cb -0.02 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2nuy h LEU 225 CO -0.11 0.95 0.13 0.40 0.09 0.00 0.00 178.44 179.90 2nuy h ILE 226 N 0.74 0.92 0.00 1.22 2.04 -0.70 -1.49 117.51 120.24 2nuy h ILE 226 Ca 0.14 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 2nuy h ILE 226 Cb 0.50 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2nuy h ILE 226 CO 0.02 0.05 -0.19 0.78 0.00 0.00 0.00 178.15 178.81 2nuy h ASN 227 N 0.29 0.00 -0.21 1.72 4.21 -0.86 -0.54 115.58 120.19 2nuy h ASN 227 Ca 0.16 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.54 2nuy h ASN 227 Cb 0.12 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.32 2nuy h ASN 227 CO -0.15 0.19 -0.35 0.03 -1.29 0.00 0.00 177.43 175.86 2nuy h ARG 228 N 0.00 0.60 -0.12 0.81 3.08 -0.87 -2.61 114.38 115.27 2nuy h ARG 228 Ca -0.00 -0.37 0.03 0.00 0.07 0.00 0.00 59.98 59.71 2nuy h ARG 228 Cb 0.35 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 2nuy h ARG 228 CO 0.02 0.98 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.77 2nuy h LEU 229 N 0.28 -0.21 -1.49 3.04 3.38 -0.67 -2.30 115.31 117.33 2nuy h LEU 229 Ca 0.01 0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.18 2nuy h LEU 229 Cb 0.94 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 2nuy h LEU 229 CO 0.08 -0.09 0.53 0.00 0.09 0.00 0.00 178.44 179.05 2nuy h ALA 230 N 1.05 2.04 -0.11 1.53 0.00 -1.06 -0.05 119.26 122.65 2nuy h ALA 230 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 2nuy h ALA 230 Cb 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2nuy h ALA 230 CO -0.16 -0.25 -0.66 0.22 0.00 0.00 0.00 179.25 178.40 2nuy h ASP 231 N 0.50 0.51 -0.18 0.00 -0.00 -1.08 -3.02 116.42 113.14 2nuy h ASP 231 Ca 0.40 -0.31 -0.21 0.00 -0.00 0.00 0.00 57.03 56.91 2nuy h ASP 231 Cb 0.82 -0.15 0.01 0.00 -0.00 0.00 0.00 39.33 40.01 2nuy h ASP 231 CO -0.14 1.03 -0.70 0.40 -0.00 0.00 0.00 179.24 179.82 2nuy h ILE 232 N 0.31 1.28 0.00 2.25 2.04 -0.54 -3.31 117.51 119.55 2nuy h ILE 232 Ca -0.02 -1.90 -0.04 0.00 1.00 0.00 0.00 64.86 63.90 2nuy h ILE 232 Cb 1.22 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 2nuy h ILE 232 CO 0.12 0.60 -0.20 -0.07 0.00 0.00 0.00 178.15 178.60 2nuy h LEU 233 N 0.53 0.00 -0.47 1.44 4.07 -1.05 -3.31 115.31 116.53 2nuy h LEU 233 Ca -0.04 0.00 0.09 0.00 0.08 0.00 0.00 57.88 58.02 2nuy h LEU 233 Cb 1.33 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.98 2nuy h LEU 233 CO 0.15 0.20 -0.08 0.03 -1.08 0.00 0.00 178.44 177.66 2nuy h ARG 234 N 0.00 0.03 0.00 1.13 3.08 -1.62 -1.67 114.38 115.33 2nuy h ARG 234 Ca -0.00 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2nuy h ARG 234 Cb 0.49 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 2nuy h ARG 234 CO 0.03 0.02 -0.01 1.57 -1.07 0.00 0.00 179.97 180.50 2nuy h LYS 235 N 0.03 0.00 0.00 0.04 2.10 -1.80 -2.39 116.57 114.54 2nuy h LYS 235 Ca 0.23 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.87 2nuy h LYS 235 Cb 0.35 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.68 2nuy h LYS 235 CO -0.45 0.01 -1.49 0.66 -2.00 0.00 0.00 179.45 176.18 2nuy n TYR 236 N -3.55 0.51 0.00 0.07 4.02 -0.69 -5.04 117.16 112.48 2nuy n TYR 236 Ca -0.03 0.15 0.00 0.00 -0.01 0.00 0.00 57.90 58.01 2nuy n TYR 236 Cb 0.10 -0.75 0.00 0.00 -0.02 0.00 0.00 39.34 38.67 2nuy n TYR 236 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2nuy n GLY 237 N 1.23 0.68 0.19 2.72 0.00 -0.84 -4.66 105.19 104.50 2nuy n GLY 237 Ca -0.02 -0.93 -0.03 0.00 0.00 0.00 0.00 46.02 45.03 2nuy n GLY 237 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2nuy h SER 238 N 0.00 -0.15 -0.40 1.61 0.02 -1.78 0.21 113.55 113.07 2nuy h SER 238 Ca 0.00 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 2nuy h SER 238 Cb 0.00 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 2nuy h SER 238 CO 0.00 -0.04 0.12 0.40 -1.14 0.00 0.00 176.83 176.17 2nuy h ILE 239 N 0.14 1.22 -0.74 3.27 2.04 -1.93 -2.26 117.51 119.24 2nuy h ILE 239 Ca 0.23 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 2nuy h ILE 239 Cb 0.34 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 2nuy h ILE 239 CO -0.37 0.25 0.33 0.28 0.00 0.00 0.00 178.15 178.64 2nuy h SER 240 N 0.49 0.97 -0.73 1.72 0.02 -1.75 -2.58 113.55 111.70 2nuy h SER 240 Ca 0.13 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2nuy h SER 240 Cb 0.26 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 2nuy h SER 240 CO -0.00 0.84 0.23 0.00 -1.14 0.00 0.00 176.83 176.75 2nuy h ALA 241 N 1.30 0.96 -0.96 3.77 0.00 -0.73 -3.07 119.26 120.54 2nuy h ALA 241 Ca 0.25 -0.23 0.21 0.00 0.00 0.00 0.00 54.91 55.15 2nuy h ALA 241 Cb 0.15 -0.28 -0.12 0.00 0.00 0.00 0.00 17.79 17.54 2nuy h ALA 241 CO -0.03 0.65 0.54 0.82 0.00 0.00 0.00 179.25 181.23 2nuy h ILE 242 N 1.09 0.59 -0.36 0.00 2.04 -0.99 -0.66 117.51 119.22 2nuy h ILE 242 Ca 0.24 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.90 2nuy h ILE 242 Cb 0.31 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 2nuy h ILE 242 CO -0.01 0.11 0.22 1.88 0.00 0.00 0.00 178.15 180.35 2nuy h TYR 243 N 0.60 0.41 -0.46 1.37 0.05 -1.57 0.72 116.97 118.09 2nuy h TYR 243 Ca 0.59 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 59.34 2nuy h TYR 243 Cb 1.04 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.63 2nuy h TYR 243 CO -0.04 0.25 0.11 0.28 -1.05 0.00 0.00 178.16 177.70 2nuy h VAL 244 N 0.44 1.24 -0.17 -2.88 2.07 -1.28 -3.13 116.25 112.54 2nuy h VAL 244 Ca 0.14 -0.84 -0.10 0.00 0.82 0.00 0.00 66.70 66.72 2nuy h VAL 244 Cb -0.02 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2nuy h VAL 244 CO -0.05 0.30 -0.33 -0.07 0.02 0.00 0.00 177.57 177.43 2nuy h LEU 245 N 0.61 0.36 -0.40 2.57 3.38 -0.86 -1.87 115.31 119.10 2nuy h LEU 245 Ca 0.14 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2nuy h LEU 245 Cb 0.33 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2nuy h LEU 245 CO 0.00 0.68 0.21 0.58 0.09 0.00 0.00 178.44 180.00 2nuy h VAL 246 N 0.31 0.98 -0.37 1.22 2.07 -0.81 0.72 116.25 120.37 2nuy h VAL 246 Ca 0.04 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2nuy h VAL 246 Cb 0.74 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2nuy h VAL 246 CO 0.06 0.08 0.18 -1.13 0.02 0.00 0.00 177.57 176.78 2nuy h ASN 247 N 0.42 0.47 0.54 0.57 -0.73 -1.48 0.29 115.58 115.66 2nuy h ASN 247 Ca 0.17 -0.11 -0.02 0.00 1.87 0.00 0.00 56.30 58.21 2nuy h ASN 247 Cb 0.07 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.52 2nuy h ASN 247 CO -0.11 0.45 -0.50 -0.08 -0.37 0.00 0.00 177.43 176.82 2nuy h GLU 248 N 0.46 -0.99 0.08 6.67 4.57 -0.91 -1.18 114.58 123.28 2nuy h GLU 248 Ca 0.13 0.07 -0.25 0.00 -1.18 0.00 0.00 59.36 58.12 2nuy h GLU 248 Cb 0.10 0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2nuy h GLU 248 CO -0.02 -0.66 -1.12 0.74 -1.18 0.00 0.00 179.01 176.77 2nuy h PHE 249 N -1.03 0.44 0.00 0.92 -1.00 -0.87 -3.37 116.94 112.03 2nuy h PHE 249 Ca -0.07 -0.30 0.00 0.00 2.81 0.00 0.00 57.97 60.41 2nuy h PHE 249 Cb 0.88 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.41 2nuy h PHE 249 CO -0.23 1.19 -1.56 1.04 -1.61 0.00 0.00 178.31 177.15 2nuy n GLN 250 N -3.57 0.45 -0.97 1.51 1.13 0.10 -5.03 117.38 111.02 2nuy n GLN 250 Ca -0.07 -0.11 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 2nuy n GLN 250 Cb 0.96 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.81 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 1.37 0.40 3.02 1.08 0.00 -0.45 -5.01 105.19 105.61 2nuy n GLY 251 Ca -0.01 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.00 0.35 -0.11 1.61 -0.85 -1.26 -5.06 117.35 110.03 2nuy s TYR 252 Ca 0.00 -0.71 -0.27 0.00 -0.52 0.00 0.00 57.07 55.57 2nuy s TYR 252 Cb 0.00 -0.26 -0.02 0.00 0.38 0.00 0.00 41.96 42.07 2nuy s TYR 252 CO 0.00 -0.25 0.89 0.34 -1.52 0.00 0.00 175.55 175.01 2nuy s ASP 253 N -1.94 7.11 -0.06 -0.18 2.15 -1.26 -3.73 116.67 118.75 2nuy s ASP 253 Ca -0.08 1.35 0.12 0.00 0.43 0.00 0.00 52.55 54.37 2nuy s ASP 253 Cb -0.04 -2.50 0.36 0.00 -0.30 0.00 0.00 42.92 40.44 2nuy s ASP 253 CO -0.04 -0.36 1.29 1.33 -0.17 0.00 0.00 175.17 177.22 2nuy n VAL 254 N 4.44 1.45 -1.67 1.11 0.24 -1.26 -4.89 118.33 117.76 2nuy n VAL 254 Ca 0.05 -1.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.02 2nuy n VAL 254 Cb 0.49 0.23 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 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 0.04 1.25 3.10 7.63 0.00 -1.26 -4.11 105.19 111.84 2nuy n GLY 255 Ca 0.14 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 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 0.58 1.02 1.61 2.02 -0.45 -4.82 117.35 117.31 2nuy s TYR 256 Ca 0.00 -1.04 -0.16 0.00 -0.37 0.00 0.00 57.07 55.50 2nuy s TYR 256 Cb 0.00 -0.41 0.21 0.00 -0.40 0.00 0.00 41.96 41.36 2nuy s TYR 256 CO 0.00 -0.34 1.22 -1.25 -1.57 0.00 0.00 175.55 173.61 2nuy s PRO 257 N -3.88 0.19 -0.15 -1.71 0.04 -1.26 -2.45 135.00 125.78 2nuy s PRO 257 Ca 0.08 -0.17 0.01 0.00 0.04 0.00 0.00 61.00 60.96 2nuy s PRO 257 Cb 0.07 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.84 2nuy s PRO 257 CO -0.09 -2.76 -0.17 0.50 0.04 0.00 0.00 177.00 174.52 2nuy s ARG 258 N -5.63 3.16 0.36 4.56 3.52 -1.22 -4.57 118.95 119.14 2nuy s ARG 258 Ca 0.71 -0.78 -0.26 0.00 -0.13 0.00 0.00 55.73 55.27 2nuy s ARG 258 Cb -0.08 -2.56 -0.12 0.00 -1.56 0.00 0.00 34.95 30.63 2nuy s ARG 258 CO 0.54 0.02 0.97 -2.30 -0.81 0.00 0.00 175.30 173.72 2nuy n PRO 259 N 4.01 1.29 0.00 5.12 -0.02 -1.26 -2.06 135.00 142.08 2nuy n PRO 259 Ca -0.19 0.46 0.03 0.00 -2.02 0.00 0.00 63.50 61.77 2nuy n PRO 259 Cb 0.52 -1.90 0.14 0.00 -0.02 0.00 0.00 33.50 32.24 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 0.48 0.04 -2.89 0.52 -0.04 -1.26 -4.94 135.00 126.91 2nuy n PRO 260 Ca 0.10 0.32 -0.44 0.00 -0.04 0.00 0.00 63.50 63.44 2nuy n PRO 260 Cb 0.36 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.80 4.86 0.35 0.52 -1.09 -0.88 -4.99 121.20 117.17 2nuy s ILE 261 Ca 0.04 -2.42 -0.28 0.00 -2.23 0.00 0.00 60.65 55.76 2nuy s ILE 261 Cb 0.04 -4.95 -0.10 0.00 -1.58 0.00 0.00 42.46 35.87 2nuy s ILE 261 CO 0.10 -1.68 1.35 -0.36 -1.23 0.00 0.00 174.94 173.12 2nuy s PHE 262 N 2.11 2.92 0.66 3.97 0.40 -1.26 -3.37 117.98 123.40 2nuy s PHE 262 Ca 0.44 1.36 -0.15 0.00 -0.60 0.00 0.00 56.93 57.98 2nuy s PHE 262 Cb -0.02 -3.76 -0.00 0.00 0.51 0.00 0.00 43.02 39.75 2nuy s PHE 262 CO 0.00 -2.14 1.10 -2.14 0.70 0.00 0.00 175.22 172.74 2nuy s PRO 263 N -1.91 2.85 0.33 0.24 0.02 -1.26 -4.79 135.00 130.48 2nuy s PRO 263 Ca 0.51 1.34 -0.28 0.00 0.02 0.00 0.00 61.00 62.58 2nuy s PRO 263 Cb -0.41 -1.96 -0.10 0.00 0.02 0.00 0.00 34.50 32.05 2nuy s PRO 263 CO 0.55 -1.21 1.23 -0.51 -0.33 0.00 0.00 177.00 176.74 2nuy s LEU 264 N -4.89 4.42 1.01 -5.54 1.02 -1.26 -5.02 118.68 108.41 2nuy s LEU 264 Ca 0.66 2.53 -0.14 0.00 0.02 0.00 0.00 54.13 57.20 2nuy s LEU 264 Cb -0.19 -3.71 0.19 0.00 0.02 0.00 0.00 46.19 42.50 2nuy s LEU 264 CO 0.42 -0.47 1.13 0.42 0.02 0.00 0.00 176.35 177.87 2nuy s THR 265 N -1.19 1.91 0.18 5.49 -4.23 -1.26 -4.74 115.64 111.81 2nuy s THR 265 Ca 0.49 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.87 2nuy s THR 265 Cb -0.36 -2.63 0.08 0.00 1.34 0.00 0.00 72.50 70.93 2nuy s THR 265 CO 0.48 0.00 1.79 0.44 -0.54 0.00 0.00 174.62 176.79 2nuy h ASP 266 N -1.89 0.39 -0.46 3.99 5.19 -1.99 -0.60 116.42 121.06 2nuy h ASP 266 Ca -0.50 0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 55.89 2nuy h ASP 266 Cb 1.32 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.76 2nuy h ASP 266 CO 0.53 0.27 0.13 -0.33 -3.12 0.00 0.00 179.24 176.72 2nuy h GLU 267 N 0.52 0.72 -0.76 3.56 3.07 -1.99 -1.24 114.58 118.46 2nuy h GLU 267 Ca 0.22 -0.16 -0.03 0.00 -0.50 0.00 0.00 59.36 58.89 2nuy h GLU 267 Cb 0.12 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 27.89 2nuy h GLU 267 CO -0.15 0.70 0.37 0.93 -1.40 0.00 0.00 179.01 179.46 2nuy h GLU 268 N 0.60 1.09 -0.33 2.33 5.08 -1.84 0.10 114.58 121.62 2nuy h GLU 268 Ca 0.15 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 2nuy h GLU 268 Cb 0.29 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2nuy h GLU 268 CO -0.00 0.85 -0.16 0.00 -1.00 0.00 0.00 179.01 178.70 2nuy h ALA 269 N 1.19 1.11 -0.11 3.43 0.00 -0.86 0.66 119.26 124.68 2nuy h ALA 269 Ca 0.26 -0.31 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 2nuy h ALA 269 Cb 0.11 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.77 2nuy h ALA 269 CO -0.03 0.55 -0.69 1.25 0.00 0.00 0.00 179.25 180.33 2nuy h LEU 270 N 0.54 0.80 -0.60 0.00 6.46 -0.80 -2.38 115.31 119.33 2nuy h LEU 270 Ca 0.09 -0.65 0.01 0.00 -0.12 0.00 0.00 57.88 57.21 2nuy h LEU 270 Cb 0.58 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.24 2nuy h LEU 270 CO 0.04 1.33 0.39 -1.28 -0.62 0.00 0.00 178.44 178.30 2nuy h SER 271 N 0.34 0.68 0.04 1.25 0.87 -0.56 -2.17 113.55 114.00 2nuy h SER 271 Ca -0.05 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.50 2nuy h SER 271 Cb 1.33 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 2nuy h SER 271 CO 0.14 0.49 -0.08 0.25 -0.53 0.00 0.00 176.83 177.10 2nuy h LEU 272 N 0.80 -0.22 -1.60 2.23 5.85 -0.82 -2.04 115.31 119.52 2nuy h LEU 272 Ca 0.22 0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.01 2nuy h LEU 272 Cb -0.09 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2nuy h LEU 272 CO -0.05 -0.12 0.33 0.11 -0.34 0.00 0.00 178.44 178.37 2nuy h LYS 273 N -0.16 0.50 -0.24 1.25 1.57 -1.25 -1.45 116.57 116.79 2nuy h LYS 273 Ca 0.02 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 2nuy h LYS 273 Cb 0.17 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2nuy h LYS 273 CO -0.05 0.33 -0.15 0.00 -0.57 0.00 0.00 179.45 179.01 2nuy h ARG 274 N 0.52 0.53 -0.57 3.15 3.08 -1.05 -2.58 114.38 117.47 2nuy h ARG 274 Ca 0.20 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2nuy h ARG 274 Cb 0.16 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 2nuy h ARG 274 CO -0.05 0.81 0.31 0.93 -1.07 0.00 0.00 179.97 180.90 2nuy h GLU 275 N 0.25 0.79 0.00 0.04 5.08 -0.66 -3.01 114.58 117.07 2nuy h GLU 275 Ca 0.05 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2nuy h GLU 275 Cb 0.67 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2nuy h GLU 275 CO 0.04 0.60 0.00 0.44 -1.00 0.00 0.00 179.01 179.09 2nuy n ILE 276 N -4.61 0.42 -0.14 3.13 -5.35 -0.62 -4.30 119.36 107.90 2nuy n ILE 276 Ca 0.03 -0.11 -0.08 0.00 -0.27 0.00 0.00 62.75 62.33 2nuy n ILE 276 Cb 0.08 -0.63 -0.02 0.00 -1.74 0.00 0.00 39.64 37.34 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 0.00 -0.25 -0.91 6.28 4.57 -1.31 0.20 114.58 123.17 2nuy h GLU 277 Ca 0.00 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.29 2nuy h GLU 277 Cb 0.59 0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 29.17 2nuy h GLU 277 CO 0.00 -0.17 0.59 -1.35 -1.18 0.00 0.00 179.01 176.90 2nuy h PRO 278 N -0.26 0.91 -0.46 0.92 0.11 -1.80 -1.37 132.00 130.05 2nuy h PRO 278 Ca 0.17 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.15 2nuy h PRO 278 Cb 0.55 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 2nuy h PRO 278 CO -0.57 0.60 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.70 2nuy h LEU 279 N 0.94 0.77 0.37 2.35 3.38 -1.31 -2.57 115.31 119.24 2nuy h LEU 279 Ca 0.41 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2nuy h LEU 279 Cb 0.36 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2nuy h LEU 279 CO -0.18 0.87 -0.49 0.11 0.09 0.00 0.00 178.44 178.84 2nuy h LYS 280 N 0.73 -0.85 -0.58 1.13 1.79 0.01 -0.64 116.57 118.15 2nuy h LYS 280 Ca 0.13 0.06 0.10 0.00 -2.18 0.00 0.00 60.65 58.76 2nuy h LYS 280 Cb 0.52 0.19 -0.08 0.00 -1.58 0.00 0.00 32.23 31.29 2nuy h LYS 280 CO 0.03 -0.57 0.16 0.00 -1.08 0.00 0.00 179.45 177.99 2nuy h ARG 281 N -0.89 0.30 -0.08 3.15 3.08 -1.35 0.80 114.38 119.40 2nuy h ARG 281 Ca -0.04 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 2nuy h ARG 281 Cb 0.80 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 2nuy h ARG 281 CO -0.12 0.20 -0.32 -0.22 -1.07 0.00 0.00 179.97 178.43 2nuy h LYS 282 N 0.31 0.15 0.00 0.04 3.64 -1.34 -0.99 116.57 118.38 2nuy h LYS 282 Ca 0.30 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.47 2nuy h LYS 282 Cb 0.40 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2nuy h LYS 282 CO -0.35 0.46 -0.58 0.82 -2.27 0.00 0.00 179.45 177.53 2nuy h ILE 283 N 0.13 1.44 0.00 2.00 2.04 0.06 -3.03 117.51 120.15 2nuy h ILE 283 Ca 0.02 -2.08 -0.01 0.00 1.00 0.00 0.00 64.86 63.79 2nuy h ILE 283 Cb 0.64 2.61 -0.00 0.00 -0.74 0.00 0.00 36.82 39.33 2nuy h ILE 283 CO 0.05 0.60 -0.06 1.56 0.00 0.00 0.00 178.15 180.30 2nuy h GLN 284 N -0.13 0.00 -0.05 2.37 4.20 -0.73 0.59 115.11 121.36 2nuy h GLN 284 Ca -0.07 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.41 2nuy h GLN 284 Cb 1.30 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.09 2nuy h GLN 284 CO 0.12 0.06 -0.87 1.49 -0.67 0.00 0.00 178.83 178.95 2nuy h GLU 285 N 0.00 0.56 0.00 1.46 4.81 -1.21 -3.27 114.58 116.93 2nuy h GLU 285 Ca -0.00 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2nuy h GLU 285 Cb 0.52 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.03 2nuy h GLU 285 CO 0.01 1.15 -0.71 1.28 -0.73 0.00 0.00 179.01 180.02 2nuy n LEU 286 N -3.83 0.63 -3.50 1.64 4.77 -0.93 -4.72 117.00 111.07 2nuy n LEU 286 Ca -0.07 -0.07 -0.29 0.00 -0.03 0.00 0.00 56.01 55.55 2nuy n LEU 286 Cb 0.79 -0.17 -0.12 0.00 -2.33 0.00 0.00 43.42 41.59 2nuy n LEU 286 CO 0.52 0.12 -0.31 -0.69 -1.33 0.00 0.00 177.39 175.70 2nuy s VAL 287 N -3.05 0.36 0.00 4.08 1.01 0.15 -5.09 120.40 117.86 2nuy s VAL 287 Ca 0.09 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.13 2nuy s VAL 287 Cb 0.16 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.27 2nuy s VAL 287 CO 0.75 -1.00 0.00 0.00 0.00 0.00 0.00 175.10 174.85