#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yrl h TYR 4 N 0.00 -0.52 -1.16 1.20 5.03 -1.52 -3.09 116.97 116.92 1yrl h TYR 4 Ca 0.00 -0.01 0.33 0.00 2.58 0.00 0.00 58.73 61.63 1yrl h TYR 4 Cb 0.00 0.17 -0.06 0.00 1.55 0.00 0.00 36.73 38.39 1yrl h TYR 4 CO 0.00 -0.19 0.81 0.35 -1.32 0.00 0.00 178.16 177.80 1yrl h PHE 5 N -0.88 0.21 0.00 -3.82 3.57 -1.87 0.31 116.94 114.46 1yrl h PHE 5 Ca -0.06 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1yrl h PHE 5 Cb 0.56 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1yrl h PHE 5 CO 0.01 0.01 0.00 0.09 -2.23 0.00 0.00 178.31 176.19 1yrl n ASN 6 N -4.33 0.76 -0.02 0.41 3.02 -1.17 -2.79 115.26 111.15 1yrl n ASN 6 Ca 0.26 0.62 0.13 0.00 -0.03 0.00 0.00 54.58 55.56 1yrl n ASN 6 Cb 1.16 -0.81 0.47 0.00 -0.61 0.00 0.00 39.78 39.99 1yrl n ASN 6 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1yrl n THR 7 N -2.27 0.00 -3.43 3.41 -2.24 0.11 -4.85 114.28 105.01 1yrl n THR 7 Ca 0.04 -0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.51 1yrl n THR 7 Cb 0.34 -0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 1yrl n THR 7 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1yrl s LEU 8 N -2.91 4.13 0.39 3.22 1.43 -1.12 -5.10 118.68 118.72 1yrl s LEU 8 Ca 0.15 0.75 0.04 0.00 -1.03 0.00 0.00 54.13 54.04 1yrl s LEU 8 Cb 0.19 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.87 1yrl s LEU 8 CO 0.59 -0.11 0.56 0.54 0.23 0.00 0.00 176.35 178.16 1yrl s ASN 9 N -2.78 5.90 0.16 2.29 2.20 -1.26 -4.77 114.94 116.68 1yrl s ASN 9 Ca 0.44 0.03 -0.10 0.00 -0.94 0.00 0.00 52.86 52.29 1yrl s ASN 9 Cb -0.11 -1.37 0.19 0.00 -2.00 0.00 0.00 41.25 37.95 1yrl s ASN 9 CO 0.26 -0.56 1.03 -0.11 -2.94 0.00 0.00 177.10 174.78 1yrl n LEU 10 N -1.85 -0.39 0.12 3.54 -0.00 -1.26 0.21 117.00 117.37 1yrl n LEU 10 Ca 0.00 1.16 -0.14 0.00 -0.00 0.00 0.00 56.01 57.03 1yrl n LEU 10 Cb 0.58 -0.28 -0.08 0.00 -0.00 0.00 0.00 43.42 43.64 1yrl n LEU 10 CO 0.45 -1.05 0.71 -0.09 -0.00 0.00 0.00 177.39 177.41 1yrl h ARG 11 N 0.00 -0.26 -0.15 1.96 2.43 -1.99 0.39 114.38 116.76 1yrl h ARG 11 Ca 0.25 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1yrl h ARG 11 Cb 0.41 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1yrl h ARG 11 CO -0.66 -0.05 0.08 1.96 -1.51 0.00 0.00 179.97 179.79 1yrl h GLN 12 N -0.43 0.20 -0.01 0.20 4.20 -0.96 -0.68 115.11 117.63 1yrl h GLN 12 Ca -0.03 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1yrl h GLN 12 Cb 0.33 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1yrl h GLN 12 CO 0.04 0.15 -0.06 1.96 -0.67 0.00 0.00 178.83 180.26 1yrl h GLN 13 N 0.20 0.05 -0.27 1.46 4.20 0.02 -3.00 115.11 117.76 1yrl h GLN 13 Ca 0.05 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.78 1yrl h GLN 13 Cb 0.01 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1yrl h GLN 13 CO -0.01 0.77 0.19 -0.07 -0.67 0.00 0.00 178.83 179.04 1yrl h LEU 14 N -0.65 0.09 0.59 1.46 4.07 -0.62 0.07 115.31 120.32 1yrl h LEU 14 Ca -0.01 -0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 1yrl h LEU 14 Cb 0.78 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.49 1yrl h LEU 14 CO 0.01 0.06 -0.40 0.00 -1.08 0.00 0.00 178.44 177.04 1yrl h ALA 15 N 1.86 -1.17 -0.07 1.53 0.00 -1.05 -2.07 119.26 118.28 1yrl h ALA 15 Ca 0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1yrl h ALA 15 Cb 0.36 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1yrl h ALA 15 CO -0.01 -1.15 0.03 1.96 0.00 0.00 0.00 179.25 180.07 1yrl h GLN 16 N -0.93 0.10 -0.82 0.00 7.50 -1.31 -3.06 115.11 116.59 1yrl h GLN 16 Ca -0.08 -0.02 0.23 0.00 0.50 0.00 0.00 58.65 59.29 1yrl h GLN 16 Cb 0.76 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 28.24 1yrl h GLN 16 CO 0.05 0.21 0.58 1.25 -1.50 0.00 0.00 178.83 179.42 1yrl h LEU 17 N -0.03 0.04 -3.51 1.46 5.85 -1.02 -1.70 115.31 116.40 1yrl h LEU 17 Ca 0.02 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1yrl h LEU 17 Cb 0.14 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1yrl h LEU 17 CO -0.00 0.01 0.04 0.61 -0.34 0.00 0.00 178.44 178.76 1yrl n GLY 18 N -1.68 3.44 3.46 3.75 0.00 -0.78 -3.86 105.19 109.51 1yrl n GLY 18 Ca 0.17 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 1yrl n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yrl s LYS 19 N -2.84 3.04 -0.30 1.61 2.20 -0.64 -4.68 119.74 118.13 1yrl s LYS 19 Ca 0.51 -0.91 -0.09 0.00 -0.36 0.00 0.00 55.97 55.11 1yrl s LYS 19 Cb 0.40 -3.99 0.18 0.00 -1.51 0.00 0.00 37.83 32.91 1yrl s LYS 19 CO 0.13 -0.84 0.92 0.00 -0.36 0.00 0.00 175.35 175.20 1yrl s ARG 21 N 2.93 2.03 -0.60 0.00 3.52 0.61 -4.87 118.95 122.57 1yrl s ARG 21 Ca 0.06 -0.56 -0.28 0.00 -0.13 0.00 0.00 55.73 54.82 1yrl s ARG 21 Cb -0.11 -1.64 0.02 0.00 -1.56 0.00 0.00 34.95 31.66 1yrl s ARG 21 CO -0.15 0.11 1.34 0.12 -0.81 0.00 0.00 175.30 175.92 1yrl s PHE 22 N 0.45 2.35 1.32 5.12 5.36 -1.26 0.88 117.98 132.20 1yrl s PHE 22 Ca -0.13 0.38 -0.18 0.00 -0.96 0.00 0.00 56.93 56.04 1yrl s PHE 22 Cb -0.15 -4.46 0.34 0.00 -0.34 0.00 0.00 43.02 38.41 1yrl s PHE 22 CO 0.05 -1.90 0.96 -1.64 -1.46 0.00 0.00 175.22 171.23 1yrl s MET 23 N 5.44 -2.13 0.38 10.12 -1.94 -0.77 -4.97 119.30 125.42 1yrl s MET 23 Ca 0.47 0.54 0.08 0.00 -1.71 0.00 0.00 55.69 55.07 1yrl s MET 23 Cb -0.09 -1.44 -0.06 0.00 2.01 0.00 0.00 34.83 35.25 1yrl s MET 23 CO 0.23 -4.45 0.08 0.20 -0.01 0.00 0.00 175.02 171.07 1yrl s GLY 24 N -2.68 2.24 0.44 -0.03 0.00 -1.26 -4.79 107.32 101.24 1yrl s GLY 24 Ca 0.69 -2.08 0.18 0.00 0.00 0.00 0.00 44.72 43.51 1yrl s GLY 24 CO 0.62 -1.94 1.91 -0.09 0.00 0.00 0.00 173.10 173.60 1yrl h ARG 25 N 1.66 0.34 -0.25 2.90 9.65 -1.96 -2.47 114.38 124.24 1yrl h ARG 25 Ca -0.43 -0.02 -0.12 0.00 -1.10 0.00 0.00 59.98 58.31 1yrl h ARG 25 Cb 1.25 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.74 1yrl h ARG 25 CO 0.70 0.23 -0.35 -0.44 2.80 0.00 0.00 179.97 182.91 1yrl h ASP 26 N 0.35 0.57 0.00 -3.80 5.19 -2.00 -3.18 116.42 113.56 1yrl h ASP 26 Ca 0.39 -0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 1yrl h ASP 26 Cb 1.01 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.36 1yrl h ASP 26 CO -0.12 0.88 0.00 -0.62 -3.12 0.00 0.00 179.24 176.26 1yrl n GLU 27 N -4.06 0.48 -2.61 3.56 1.02 -0.93 -3.30 120.64 114.80 1yrl n GLU 27 Ca -0.01 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.99 1yrl n GLU 27 Cb 0.48 -1.03 0.02 0.00 -0.02 0.00 0.00 31.44 30.89 1yrl n GLU 27 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1yrl n PHE 28 N -0.53 1.80 -0.03 -0.32 0.99 -1.20 -4.88 117.46 113.30 1yrl n PHE 28 Ca 0.01 -2.87 -0.19 0.00 -0.00 0.00 0.00 57.45 54.40 1yrl n PHE 28 Cb 0.00 -0.29 -0.13 0.00 -1.00 0.00 0.00 39.48 38.06 1yrl n PHE 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1yrl h ALA 29 N 2.87 0.08 0.08 4.37 0.00 -1.78 -3.36 119.26 121.51 1yrl h ALA 29 Ca 0.02 -0.85 -0.00 0.00 0.00 0.00 0.00 54.91 54.07 1yrl h ALA 29 Cb 1.11 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1yrl h ALA 29 CO 0.60 0.46 -0.04 -0.44 0.00 0.00 0.00 179.25 179.83 1yrl h ASP 30 N -0.65 -0.09 0.00 0.00 3.32 -1.90 -3.49 116.42 113.61 1yrl h ASP 30 Ca -0.19 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1yrl h ASP 30 Cb 1.42 0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.00 1yrl h ASP 30 CO 0.01 -0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.10 1yrl n GLY 31 N -1.08 -0.20 0.00 2.75 0.00 -1.26 -3.33 105.19 102.07 1yrl n GLY 31 Ca -0.08 -1.18 0.07 0.00 0.00 0.00 0.00 46.02 44.83 1yrl n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yrl n ALA 32 N 4.87 2.39 -0.33 4.61 0.00 -1.25 -3.79 120.51 127.02 1yrl n ALA 32 Ca 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.40 1yrl n ALA 32 Cb 0.00 -1.22 0.19 0.00 0.00 0.00 0.00 19.45 18.42 1yrl n ALA 32 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1yrl h SER 33 N 0.00 0.82 -0.19 0.00 4.64 -1.87 -1.56 113.55 115.39 1yrl h SER 33 Ca 0.00 0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.38 1yrl h SER 33 Cb 0.00 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1yrl h SER 33 CO 0.00 0.47 0.13 0.22 -0.87 0.00 0.00 176.83 176.78 1yrl h TYR 34 N 0.93 0.17 -0.55 4.77 3.20 -1.83 -1.80 116.97 121.85 1yrl h TYR 34 Ca 0.43 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.31 1yrl h TYR 34 Cb 0.36 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.57 1yrl h TYR 34 CO -0.03 0.10 0.00 1.28 -1.64 0.00 0.00 178.16 177.87 1yrl n LEU 35 N -4.51 4.93 -4.44 2.82 4.77 -0.62 -5.07 117.00 114.88 1yrl n LEU 35 Ca 0.00 -2.70 -0.44 0.00 -0.03 0.00 0.00 56.01 52.85 1yrl n LEU 35 Cb 0.14 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.60 1yrl n LEU 35 CO 0.35 0.72 0.89 -1.58 -1.33 0.00 0.00 177.39 176.44 1yrl s GLN 36 N -2.30 3.56 0.00 3.23 0.74 -0.68 -5.11 119.66 119.09 1yrl s GLN 36 Ca 0.50 -1.77 0.00 0.00 0.05 0.00 0.00 55.36 54.14 1yrl s GLN 36 Cb 0.36 -4.81 0.00 0.00 1.10 0.00 0.00 33.01 29.66 1yrl s GLN 36 CO 0.19 -1.72 0.08 0.98 -0.55 0.00 0.00 175.29 174.27 1yrl n TYR 92 N 6.33 0.00 1.05 1.67 4.19 -1.26 -5.12 117.16 124.02 1yrl n TYR 92 Ca 0.20 0.00 0.09 0.00 3.31 0.00 0.00 57.90 61.50 1yrl n TYR 92 Cb 0.48 0.00 0.51 0.00 0.49 0.00 0.00 39.34 40.83 1yrl n TYR 92 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1yrl n GLU 93 N -0.19 0.48 0.01 2.98 -0.58 -1.26 -1.17 120.64 120.92 1yrl n GLU 93 Ca 0.00 0.04 -0.16 0.00 -0.42 0.00 0.00 57.16 56.62 1yrl n GLU 93 Cb 0.00 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.23 1yrl n GLU 93 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1yrl h GLU 94 N 0.00 0.17 0.02 3.49 9.09 -2.03 -3.39 114.58 121.93 1yrl h GLU 94 Ca 0.00 -0.29 -0.35 0.00 0.05 0.00 0.00 59.36 58.77 1yrl h GLU 94 Cb 0.05 0.11 -0.06 0.00 -1.65 0.00 0.00 28.75 27.20 1yrl h GLU 94 CO 0.00 0.94 -2.14 1.47 0.05 0.00 0.00 179.01 179.33 1yrl n LEU 95 N -3.33 1.09 -0.28 3.06 -0.00 -0.96 -4.38 117.00 112.21 1yrl n LEU 95 Ca -0.22 0.13 0.07 0.00 -0.00 0.00 0.00 56.01 55.99 1yrl n LEU 95 Cb 1.05 -0.04 0.19 0.00 -0.00 0.00 0.00 43.42 44.62 1yrl n LEU 95 CO 0.46 0.58 0.83 0.40 -0.00 0.00 0.00 177.39 179.66 1yrl h ILE 96 N 0.01 0.29 0.06 1.47 2.04 -1.34 -2.52 117.51 117.52 1yrl h ILE 96 Ca -0.46 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 1yrl h ILE 96 Cb 2.09 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1yrl h ILE 96 CO 0.03 0.02 -0.03 1.55 0.00 0.00 0.00 178.15 179.72 1yrl h PRO 97 N 0.11 -0.08 -2.54 2.37 0.13 -1.75 -3.31 132.00 126.92 1yrl h PRO 97 Ca 0.46 0.01 -0.45 0.00 -0.87 0.00 0.00 66.00 65.14 1yrl h PRO 97 Cb 0.84 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.97 1yrl h PRO 97 CO -0.70 0.39 1.93 1.04 -0.23 0.00 0.00 178.00 180.42 1yrl n GLN 98 N -4.90 2.93 -4.61 0.86 1.13 -0.96 -3.98 117.38 107.86 1yrl n GLN 98 Ca -0.08 -1.65 -0.24 0.00 -1.94 0.00 0.00 57.00 53.08 1yrl n GLN 98 Cb 0.26 -2.43 -0.16 0.00 0.11 0.00 0.00 30.24 28.01 1yrl n GLN 98 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1yrl s ALA 99 N 1.64 1.24 -0.11 -1.58 0.00 -1.20 -4.95 121.76 116.79 1yrl s ALA 99 Ca 0.69 -0.47 -0.26 0.00 0.00 0.00 0.00 51.96 51.91 1yrl s ALA 99 Cb 0.24 -0.49 -0.22 0.00 0.00 0.00 0.00 23.12 22.66 1yrl s ALA 99 CO -0.03 0.17 0.82 -0.44 0.00 0.00 0.00 175.76 176.27 1yrl h ASP 100 N 6.61 -0.02 -4.40 0.00 3.32 -1.92 -3.43 116.42 116.58 1yrl h ASP 100 Ca -0.32 -0.78 -0.41 0.00 0.02 0.00 0.00 57.03 55.54 1yrl h ASP 100 Cb 1.18 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.50 1yrl h ASP 100 CO 0.48 0.82 -0.78 -0.22 -1.72 0.00 0.00 179.24 177.82 1yrl s LEU 101 N -8.49 2.21 0.08 1.55 2.96 -1.26 -1.56 118.68 114.17 1yrl s LEU 101 Ca -0.17 -0.50 0.07 0.00 -0.22 0.00 0.00 54.13 53.32 1yrl s LEU 101 Cb -0.02 -0.50 -0.04 0.00 0.50 0.00 0.00 46.19 46.13 1yrl s LEU 101 CO 0.62 -0.03 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.81 1yrl s VAL 102 N -1.01 3.23 -0.44 1.68 1.01 0.17 -4.94 120.40 120.11 1yrl s VAL 102 Ca -0.01 -1.23 0.02 0.00 0.00 0.00 0.00 61.98 60.76 1yrl s VAL 102 Cb -0.08 -2.47 0.13 0.00 0.00 0.00 0.00 36.38 33.96 1yrl s VAL 102 CO 0.01 0.18 0.23 -0.63 0.00 0.00 0.00 175.10 174.90 1yrl s ILE 103 N -1.13 1.39 -0.43 2.22 -1.09 -1.26 0.02 121.20 120.92 1yrl s ILE 103 Ca 0.19 -2.52 -0.28 0.00 -2.23 0.00 0.00 60.65 55.81 1yrl s ILE 103 Cb -0.11 -1.98 0.02 0.00 -1.58 0.00 0.00 42.46 38.82 1yrl s ILE 103 CO 0.11 -0.89 1.08 0.21 -1.23 0.00 0.00 174.94 174.22 1yrl s ASN 104 N 0.39 6.70 -0.15 3.58 2.47 -0.95 -4.87 114.94 122.12 1yrl s ASN 104 Ca 0.17 0.58 0.16 0.00 0.42 0.00 0.00 52.86 54.20 1yrl s ASN 104 Cb -0.24 -2.53 0.32 0.00 -1.45 0.00 0.00 41.25 37.35 1yrl s ASN 104 CO 0.00 -1.10 1.17 0.18 -3.72 0.00 0.00 177.10 173.62 1yrl n LEU 105 N 7.43 2.32 -4.82 3.21 4.77 -1.26 -4.48 117.00 124.16 1yrl n LEU 105 Ca 0.11 -3.22 -0.30 0.00 -0.03 0.00 0.00 56.01 52.57 1yrl n LEU 105 Cb 0.48 -0.43 0.08 0.00 -2.33 0.00 0.00 43.42 41.22 1yrl n LEU 105 CO 0.67 0.90 0.72 0.42 -1.33 0.00 0.00 177.39 178.77 1yrl s THR 106 N -2.79 3.20 0.90 -5.08 -4.23 -1.26 -5.00 115.64 101.38 1yrl s THR 106 Ca 0.32 0.39 -0.11 0.00 -1.18 0.00 0.00 61.69 61.11 1yrl s THR 106 Cb 0.30 -3.19 0.12 0.00 1.34 0.00 0.00 72.50 71.06 1yrl s THR 106 CO -0.01 -0.51 1.03 -0.81 -0.54 0.00 0.00 174.62 173.78 1yrl n PRO 107 N -3.32 -0.30 -0.26 3.99 -0.04 -1.26 -4.87 135.00 128.93 1yrl n PRO 107 Ca 0.07 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1yrl n PRO 107 Cb 0.56 -2.30 0.21 0.00 -0.04 0.00 0.00 33.50 31.94 1yrl n PRO 107 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1yrl h ASP 108 N -1.64 0.94 0.28 3.54 3.32 -2.00 -3.05 116.42 117.81 1yrl h ASP 108 Ca -0.44 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1yrl h ASP 108 Cb 1.28 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 1yrl h ASP 108 CO 0.41 0.67 -0.31 0.50 -1.72 0.00 0.00 179.24 178.79 1yrl h LYS 109 N 1.10 -0.61 -2.73 3.56 3.64 -2.02 -2.94 116.57 116.57 1yrl h LYS 109 Ca 0.31 0.04 -0.79 0.00 -1.27 0.00 0.00 60.65 58.94 1yrl h LYS 109 Cb -0.11 0.14 -0.22 0.00 -0.41 0.00 0.00 32.23 31.63 1yrl h LYS 109 CO -0.07 -0.41 1.44 1.04 -2.27 0.00 0.00 179.45 179.18 1yrl n GLN 110 N -5.43 4.69 -0.04 1.90 3.00 -1.16 -4.48 117.38 115.86 1yrl n GLN 110 Ca -0.09 -4.18 -0.09 0.00 -0.01 0.00 0.00 57.00 52.63 1yrl n GLN 110 Cb 0.33 -2.59 -0.03 0.00 0.00 0.00 0.00 30.24 27.95 1yrl n GLN 110 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1yrl n HIS 111 N 1.38 0.00 -0.24 1.08 -0.00 -1.11 -4.41 115.22 111.91 1yrl n HIS 111 Ca 0.43 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.64 1yrl n HIS 111 Cb 0.29 -0.34 0.16 0.00 -0.12 0.00 0.00 29.99 29.98 1yrl n HIS 111 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1yrl h SER 112 N -0.39 0.34 0.20 0.26 4.64 -1.79 -2.29 113.55 114.51 1yrl h SER 112 Ca -0.20 0.09 0.01 0.00 -0.47 0.00 0.00 61.79 61.21 1yrl h SER 112 Cb 1.01 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 1yrl h SER 112 CO -0.12 0.17 -0.22 0.44 -0.87 0.00 0.00 176.83 176.22 1yrl h ASP 113 N 0.49 -0.60 -0.36 4.97 3.32 -1.87 -0.22 116.42 122.16 1yrl h ASP 113 Ca 0.37 0.06 0.07 0.00 0.02 0.00 0.00 57.03 57.55 1yrl h ASP 113 Cb 0.50 0.21 -0.09 0.00 0.22 0.00 0.00 39.33 40.17 1yrl h ASP 113 CO -0.34 -0.33 -0.41 0.58 -1.72 0.00 0.00 179.24 177.02 1yrl h VAL 114 N -0.47 0.14 -0.71 -1.35 2.07 -1.63 -0.46 116.25 113.83 1yrl h VAL 114 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1yrl h VAL 114 Cb 0.45 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1yrl h VAL 114 CO -0.07 0.00 0.43 0.58 0.02 0.00 0.00 177.57 178.53 1yrl h VAL 115 N -0.34 1.20 0.00 2.57 2.07 -1.35 0.22 116.25 120.61 1yrl h VAL 115 Ca 0.13 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1yrl h VAL 115 Cb 0.58 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1yrl h VAL 115 CO -0.54 0.21 0.00 0.54 0.02 0.00 0.00 177.57 177.80 1yrl n ARG 116 N -4.39 0.22 0.00 1.57 1.74 -0.10 -1.12 116.66 114.57 1yrl n ARG 116 Ca 0.07 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1yrl n ARG 116 Cb 0.07 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 1yrl n ARG 116 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1yrl n THR 117 N -1.12 0.00 0.07 0.55 -2.24 -0.52 -4.79 114.28 106.23 1yrl n THR 117 Ca 0.06 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.67 1yrl n THR 117 Cb 0.05 0.17 -0.14 0.00 -2.10 0.00 0.00 70.33 68.30 1yrl n THR 117 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1yrl h VAL 118 N 0.00 1.18 0.29 2.28 2.07 0.06 -3.37 116.25 118.75 1yrl h VAL 118 Ca 0.00 -2.81 0.00 0.00 0.82 0.00 0.00 66.70 64.71 1yrl h VAL 118 Cb 0.11 2.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 1yrl h VAL 118 CO 0.00 0.82 -0.33 1.56 0.02 0.00 0.00 177.57 179.64 1yrl h GLN 119 N 0.07 -0.65 -1.06 1.57 4.20 -1.37 -1.86 115.11 116.01 1yrl h GLN 119 Ca -0.23 0.04 0.32 0.00 0.06 0.00 0.00 58.65 58.84 1yrl h GLN 119 Cb 2.01 0.15 -0.13 0.00 0.30 0.00 0.00 27.48 29.80 1yrl h GLN 119 CO 0.16 -0.43 0.63 -1.35 -0.67 0.00 0.00 178.83 177.18 1yrl h PRO 120 N -0.67 0.31 0.00 1.46 0.11 -1.82 0.32 132.00 131.71 1yrl h PRO 120 Ca -0.01 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1yrl h PRO 120 Cb 0.62 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.66 1yrl h PRO 120 CO -0.09 0.21 -0.21 -0.07 -0.21 0.00 0.00 178.00 177.63 1yrl h LEU 121 N 0.32 0.00 -9.67 2.35 3.38 -1.62 -3.46 115.31 106.62 1yrl h LEU 121 Ca 0.72 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 58.16 1yrl h LEU 121 Cb 1.75 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.54 1yrl h LEU 121 CO -0.51 0.01 0.70 -0.04 0.09 0.00 0.00 178.44 178.69 1yrl s MET 122 N -3.23 4.34 0.22 1.13 -1.94 0.11 -3.35 119.30 116.58 1yrl s MET 122 Ca 0.05 2.12 -0.04 0.00 -1.71 0.00 0.00 55.69 56.12 1yrl s MET 122 Cb 0.06 -3.18 0.05 0.00 2.01 0.00 0.00 34.83 33.77 1yrl s MET 122 CO 0.70 -0.33 0.17 0.36 -0.01 0.00 0.00 175.02 175.91 1yrl n LYS 123 N 2.83 -1.66 -3.28 2.03 2.85 -1.26 -4.97 118.16 114.71 1yrl n LYS 123 Ca 0.07 -0.28 -0.39 0.00 -1.05 0.00 0.00 58.31 56.67 1yrl n LYS 123 Cb 0.42 -0.29 -0.06 0.00 -0.65 0.00 0.00 35.03 34.45 1yrl n LYS 123 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1yrl s ASP 124 N -2.05 6.94 0.00 -5.58 -1.08 -1.26 -3.73 116.67 109.90 1yrl s ASP 124 Ca 0.12 1.12 0.00 0.00 -0.52 0.00 0.00 52.55 53.27 1yrl s ASP 124 Cb -0.01 -2.34 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 1yrl s ASP 124 CO 0.09 0.17 0.00 0.61 0.52 0.00 0.00 175.17 176.56 1yrl n GLY 125 N 2.25 1.03 3.66 2.66 0.00 -1.24 -5.02 105.19 108.52 1yrl n GLY 125 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1yrl n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yrl s ALA 126 N -3.68 1.23 -0.02 4.61 0.00 -1.24 -4.66 121.76 118.00 1yrl s ALA 126 Ca 0.00 0.39 0.07 0.00 0.00 0.00 0.00 51.96 52.42 1yrl s ALA 126 Cb 0.00 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1yrl s ALA 126 CO 0.00 -2.81 -0.22 0.00 0.00 0.00 0.00 175.76 172.73 1yrl s ALA 127 N -2.67 2.35 -0.14 0.00 0.00 -0.60 -1.94 121.76 118.76 1yrl s ALA 127 Ca 0.66 -1.10 -0.00 0.00 0.00 0.00 0.00 51.96 51.51 1yrl s ALA 127 Cb -0.22 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 1yrl s ALA 127 CO 0.59 0.54 -0.13 -1.17 0.00 0.00 0.00 175.76 175.59 1yrl s LEU 128 N -0.78 2.71 0.02 0.00 2.96 -0.05 0.43 118.68 123.97 1yrl s LEU 128 Ca 0.11 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 53.72 1yrl s LEU 128 Cb -0.10 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 1yrl s LEU 128 CO 0.00 0.14 -0.10 -0.83 -1.32 0.00 0.00 176.35 174.24 1yrl s GLY 129 N 0.49 1.70 0.46 7.98 0.00 0.10 -0.71 107.32 117.34 1yrl s GLY 129 Ca -0.09 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.55 1yrl s GLY 129 CO 0.04 -0.96 0.00 -1.72 0.00 0.00 0.00 173.10 170.47 1yrl n TYR 130 N 1.51 1.04 -0.08 1.90 4.02 0.68 -2.23 117.16 123.98 1yrl n TYR 130 Ca -0.15 -2.27 0.00 0.00 -0.01 0.00 0.00 57.90 55.46 1yrl n TYR 130 Cb 0.52 -0.29 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 1yrl n TYR 130 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1yrl n SER 131 N -1.29 0.00 -3.29 7.72 2.88 -1.26 -2.33 113.62 116.06 1yrl n SER 131 Ca -0.19 -0.11 0.01 0.00 -1.33 0.00 0.00 58.87 57.25 1yrl n SER 131 Cb 0.58 0.05 -0.03 0.00 -0.75 0.00 0.00 64.21 64.06 1yrl n SER 131 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1yrl s HIS 132 N -0.05 -1.44 -2.00 0.66 5.65 -1.26 -4.51 115.29 112.34 1yrl s HIS 132 Ca 0.00 1.72 0.01 0.00 0.25 0.00 0.00 55.06 57.04 1yrl s HIS 132 Cb 0.00 0.54 0.03 0.00 -1.18 0.00 0.00 32.58 31.97 1yrl s HIS 132 CO 0.00 -0.81 0.29 0.41 -0.65 0.00 0.00 174.74 173.98 1yrl n GLY 133 N 5.42 -0.24 0.31 1.59 0.00 -1.26 -3.87 105.19 107.14 1yrl n GLY 133 Ca -0.04 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1yrl n GLY 133 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1yrl h PHE 134 N 0.00 0.69 0.00 1.61 3.04 -1.96 0.54 116.94 120.86 1yrl h PHE 134 Ca 0.00 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 61.96 1yrl h PHE 134 Cb 0.00 -0.17 -0.00 0.00 2.56 0.00 0.00 35.95 38.34 1yrl h PHE 134 CO 0.00 0.01 -0.16 -0.97 -2.02 0.00 0.00 178.31 175.18 1yrl h ASN 135 N 0.46 0.00 0.06 0.41 -0.73 -1.86 -0.64 115.58 113.29 1yrl h ASN 135 Ca 0.54 0.00 -0.34 0.00 1.87 0.00 0.00 56.30 58.36 1yrl h ASN 135 Cb 0.96 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.52 1yrl h ASN 135 CO -0.48 0.16 -1.93 -0.38 -0.37 0.00 0.00 177.43 174.43 1yrl n ILE 136 N -3.37 1.66 -0.05 2.57 2.08 0.87 -3.16 119.36 119.96 1yrl n ILE 136 Ca -0.00 -0.46 -0.02 0.00 0.56 0.00 0.00 62.75 62.83 1yrl n ILE 136 Cb 0.37 -1.78 -0.01 0.00 -0.75 0.00 0.00 39.64 37.47 1yrl n ILE 136 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 1yrl h VAL 137 N -0.31 0.00 -0.26 1.39 2.07 -0.16 -3.39 116.25 115.59 1yrl h VAL 137 Ca -0.45 -0.88 -0.13 0.00 0.82 0.00 0.00 66.70 66.05 1yrl h VAL 137 Cb 1.79 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1yrl h VAL 137 CO -0.06 0.00 -0.38 -0.33 0.02 0.00 0.00 177.57 176.82 1yrl h GLU 138 N -0.88 0.58 -4.97 1.57 4.39 -1.36 -1.70 114.58 112.21 1yrl h GLU 138 Ca 0.00 -0.28 -0.64 0.00 0.34 0.00 0.00 59.36 58.77 1yrl h GLU 138 Cb 0.24 -0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 28.69 1yrl h GLU 138 CO 0.00 0.87 -0.58 0.08 -1.16 0.00 0.00 179.01 178.22 1yrl s VAL 139 N -4.30 4.74 -0.25 3.13 1.01 -0.38 -4.43 120.40 119.92 1yrl s VAL 139 Ca -0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 1yrl s VAL 139 Cb 0.12 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1yrl s VAL 139 CO 0.82 0.32 1.48 0.61 0.00 0.00 0.00 175.10 178.33 1yrl n GLY 140 N 4.83 2.02 3.70 4.51 0.00 -1.26 -3.86 105.19 115.13 1yrl n GLY 140 Ca -0.15 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 1yrl n GLY 140 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yrl s GLU 141 N 3.40 4.51 0.10 1.61 2.56 -1.19 -4.91 118.70 124.78 1yrl s GLU 141 Ca 0.19 1.45 0.03 0.00 0.00 0.00 0.00 54.97 56.64 1yrl s GLU 141 Cb 0.07 -3.47 -0.04 0.00 2.00 0.00 0.00 34.13 32.69 1yrl s GLU 141 CO -0.01 -0.15 0.14 -0.65 -0.56 0.00 0.00 175.26 174.04 1yrl s GLN 142 N 1.30 3.07 0.05 4.30 -1.52 -1.26 -4.83 119.66 120.77 1yrl s GLN 142 Ca 0.52 -0.66 -0.00 0.00 -1.95 0.00 0.00 55.36 53.26 1yrl s GLN 142 Cb -0.21 -2.80 -0.03 0.00 -0.22 0.00 0.00 33.01 29.74 1yrl s GLN 142 CO 0.25 0.55 -0.04 0.42 -0.25 0.00 0.00 175.29 176.23 1yrl s ILE 143 N -1.53 0.31 0.35 1.08 1.09 -1.26 -5.05 121.20 116.20 1yrl s ILE 143 Ca 0.31 -1.59 -0.28 0.00 -1.10 0.00 0.00 60.65 57.99 1yrl s ILE 143 Cb -0.12 -1.22 -0.12 0.00 -1.06 0.00 0.00 42.46 39.95 1yrl s ILE 143 CO 0.24 -0.82 1.39 0.54 -0.10 0.00 0.00 174.94 176.19 1yrl n ARG 144 N 0.50 2.37 0.31 2.79 1.74 -1.26 -4.86 116.66 118.25 1yrl n ARG 144 Ca -0.16 0.83 0.18 0.00 -0.77 0.00 0.00 57.85 57.93 1yrl n ARG 144 Cb 0.59 -2.48 1.02 0.00 -1.02 0.00 0.00 32.46 30.57 1yrl n ARG 144 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1yrl h LYS 145 N 2.84 0.00 0.00 5.56 5.09 -2.00 -1.39 116.57 126.67 1yrl h LYS 145 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.26 1yrl h LYS 145 Cb 1.26 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.59 1yrl h LYS 145 CO 0.64 0.01 -0.08 0.38 -2.09 0.00 0.00 179.45 178.32 1yrl h ASP 146 N 0.00 0.00 -3.33 7.07 2.03 -1.95 -3.37 116.42 116.87 1yrl h ASP 146 Ca -0.00 -0.02 -0.57 0.00 -0.73 0.00 0.00 57.03 55.71 1yrl h ASP 146 Cb 0.05 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.49 1yrl h ASP 146 CO 0.00 0.01 0.33 -0.63 -1.03 0.00 0.00 179.24 177.92 1yrl s ILE 147 N -3.13 4.91 -0.43 4.15 1.01 -0.53 -3.71 121.20 123.48 1yrl s ILE 147 Ca 0.09 1.64 -0.22 0.00 0.00 0.00 0.00 60.65 62.17 1yrl s ILE 147 Cb 0.11 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 38.46 1yrl s ILE 147 CO 0.63 0.08 0.72 -0.89 0.00 0.00 0.00 174.94 175.47 1yrl s THR 148 N 1.77 4.75 -0.21 2.92 2.01 -0.82 -4.38 115.64 121.68 1yrl s THR 148 Ca 0.40 0.37 -0.19 0.00 0.31 0.00 0.00 61.69 62.58 1yrl s THR 148 Cb -0.17 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.07 1yrl s THR 148 CO 0.15 -0.60 0.53 -0.69 -0.69 0.00 0.00 174.62 173.32 1yrl s VAL 149 N 3.03 5.09 0.30 3.82 1.01 -0.04 -0.87 120.40 132.74 1yrl s VAL 149 Ca 0.27 0.98 0.02 0.00 0.00 0.00 0.00 61.98 63.25 1yrl s VAL 149 Cb -0.13 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 1yrl s VAL 149 CO 0.20 0.16 0.09 0.68 0.00 0.00 0.00 175.10 176.23 1yrl s VAL 150 N 1.76 0.77 -0.02 2.92 -7.23 0.11 -2.00 120.40 116.71 1yrl s VAL 150 Ca 0.24 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.34 1yrl s VAL 150 Cb -0.15 -2.66 0.01 0.00 0.56 0.00 0.00 36.38 34.13 1yrl s VAL 150 CO 0.10 0.00 0.16 -0.32 -0.31 0.00 0.00 175.10 174.73 1yrl s MET 151 N -3.94 0.41 -0.29 4.82 1.75 0.51 -0.23 119.30 122.32 1yrl s MET 151 Ca 0.36 -0.19 -0.00 0.00 -1.25 0.00 0.00 55.69 54.61 1yrl s MET 151 Cb 0.08 0.18 0.14 0.00 2.84 0.00 0.00 34.83 38.06 1yrl s MET 151 CO 0.15 -0.09 0.31 0.08 -0.65 0.00 0.00 175.02 174.82 1yrl s VAL 152 N -0.93 -0.43 -0.30 10.11 1.01 -0.98 -2.27 120.40 126.60 1yrl s VAL 152 Ca -0.10 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1yrl s VAL 152 Cb -0.06 -0.98 0.07 0.00 0.00 0.00 0.00 36.38 35.41 1yrl s VAL 152 CO 0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 175.10 174.65 1yrl s ALA 153 N 2.39 2.75 0.15 5.51 0.00 -0.06 -4.63 121.76 127.87 1yrl s ALA 153 Ca 0.09 -1.97 -0.31 0.00 0.00 0.00 0.00 51.96 49.78 1yrl s ALA 153 Cb -0.14 -1.83 -0.09 0.00 0.00 0.00 0.00 23.12 21.07 1yrl s ALA 153 CO -0.32 -1.36 1.41 -2.14 0.00 0.00 0.00 175.76 173.35 1yrl s PRO 154 N 1.11 4.31 -0.89 0.00 0.02 -1.26 -1.17 135.00 137.12 1yrl s PRO 154 Ca -0.03 2.14 -0.18 0.00 0.02 0.00 0.00 61.00 62.95 1yrl s PRO 154 Cb -0.20 -3.21 -0.12 0.00 0.02 0.00 0.00 34.50 31.00 1yrl s PRO 154 CO -0.04 -0.43 2.01 1.63 -0.33 0.00 0.00 177.00 179.84 1yrl n LYS 155 N 3.51 1.79 -3.65 5.54 4.76 0.29 -4.77 118.16 125.63 1yrl n LYS 155 Ca 0.10 -1.88 -0.09 0.00 -2.87 0.00 0.00 58.31 53.57 1yrl n LYS 155 Cb 0.42 -2.89 -0.08 0.00 -1.84 0.00 0.00 35.03 30.64 1yrl n LYS 155 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1yrl h PRO 157 N 6.67 -0.25 0.00 0.00 0.13 -1.93 -3.46 132.00 133.16 1yrl h PRO 157 Ca -0.31 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1yrl h PRO 157 Cb 1.21 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1yrl h PRO 157 CO 0.17 0.11 0.00 0.41 -0.23 0.00 0.00 178.00 178.46 1yrl n GLY 158 N 0.70 -0.94 0.79 1.56 0.00 -1.26 -4.85 105.19 101.19 1yrl n GLY 158 Ca -0.07 -0.21 0.05 0.00 0.00 0.00 0.00 46.02 45.79 1yrl n GLY 158 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yrl n THR 159 N 0.00 1.10 0.68 2.61 -2.24 -1.26 -4.74 114.28 110.42 1yrl n THR 159 Ca 0.00 -1.85 0.07 0.00 -2.27 0.00 0.00 64.05 60.00 1yrl n THR 159 Cb 0.00 0.28 0.36 0.00 -2.10 0.00 0.00 70.33 68.87 1yrl n THR 159 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1yrl n GLU 160 N -0.48 0.20 0.26 -0.78 0.00 -1.26 -1.44 120.64 117.15 1yrl n GLU 160 Ca 0.11 0.15 0.17 0.00 0.00 0.00 0.00 57.16 57.59 1yrl n GLU 160 Cb 0.83 -1.50 0.65 0.00 0.00 0.00 0.00 31.44 31.42 1yrl n GLU 160 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 1yrl h VAL 161 N 0.00 0.00 0.00 3.84 3.04 -1.93 -1.89 116.25 119.31 1yrl h VAL 161 Ca 0.00 -0.51 -0.24 0.00 -1.01 0.00 0.00 66.70 64.94 1yrl h VAL 161 Cb 0.14 1.48 -0.04 0.00 -2.01 0.00 0.00 31.29 30.86 1yrl h VAL 161 CO 0.00 0.00 -1.90 -1.14 -1.01 0.00 0.00 177.57 173.52 1yrl n ARG 162 N -3.01 0.38 -0.14 4.17 3.00 -0.52 -4.02 116.66 116.52 1yrl n ARG 162 Ca 0.01 0.10 0.07 0.00 -0.00 0.00 0.00 57.85 58.03 1yrl n ARG 162 Cb 0.31 -1.27 0.39 0.00 0.00 0.00 0.00 32.46 31.89 1yrl n ARG 162 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1yrl h GLU 163 N -0.13 0.64 0.14 -0.14 3.07 -1.51 -1.50 114.58 115.16 1yrl h GLU 163 Ca -0.36 -0.04 -0.28 0.00 -0.50 0.00 0.00 59.36 58.18 1yrl h GLU 163 Cb 1.50 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 29.28 1yrl h GLU 163 CO -0.10 0.43 -1.27 0.93 -1.40 0.00 0.00 179.01 177.60 1yrl h GLU 164 N 0.66 0.30 -0.21 2.33 4.39 -1.58 -3.22 114.58 117.25 1yrl h GLU 164 Ca 0.28 -0.52 -0.00 0.00 0.34 0.00 0.00 59.36 59.46 1yrl h GLU 164 Cb 0.26 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1yrl h GLU 164 CO -0.09 1.25 0.13 -0.92 -1.16 0.00 0.00 179.01 178.22 1yrl h TYR 165 N 0.08 0.28 -0.14 4.33 3.20 -1.53 -2.05 116.97 121.15 1yrl h TYR 165 Ca -0.15 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.76 1yrl h TYR 165 Cb 2.00 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 40.17 1yrl h TYR 165 CO 0.07 0.22 0.11 0.87 -1.64 0.00 0.00 178.16 177.79 1yrl h LYS 166 N 0.26 0.00 0.00 1.82 1.57 -1.39 -0.18 116.57 118.65 1yrl h LYS 166 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1yrl h LYS 166 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1yrl h LYS 166 CO -0.01 0.00 0.00 -0.09 -0.57 0.00 0.00 179.45 178.78 1yrl h ARG 167 N 0.00 0.00 0.00 3.15 2.43 -1.39 -3.47 114.38 115.10 1yrl h ARG 167 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1yrl h ARG 167 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1yrl h ARG 167 CO -0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.87 1yrl n GLY 168 N 1.11 1.80 0.00 2.80 0.00 -0.08 -5.07 105.19 105.75 1yrl n GLY 168 Ca 0.04 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1yrl n GLY 168 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1yrl n PHE 169 N 0.00 0.00 -1.90 1.61 -0.00 -1.01 -4.92 117.46 111.24 1yrl n PHE 169 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1yrl n PHE 169 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 1yrl n PHE 169 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1yrl n GLY 170 N 4.86 -1.41 3.46 4.97 0.00 -1.25 -4.07 105.19 111.75 1yrl n GLY 170 Ca 0.00 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 1yrl n GLY 170 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yrl s VAL 171 N -2.58 3.65 -0.11 1.61 1.01 -1.26 -4.65 120.40 118.05 1yrl s VAL 171 Ca 0.00 -0.45 -0.32 0.00 0.00 0.00 0.00 61.98 61.22 1yrl s VAL 171 Cb 0.00 -2.58 -0.09 0.00 0.00 0.00 0.00 36.38 33.70 1yrl s VAL 171 CO 0.00 0.50 2.02 -0.81 0.00 0.00 0.00 175.10 176.81 1yrl n PRO 172 N 3.53 2.20 -4.29 2.72 -0.04 -1.26 -4.49 135.00 133.37 1yrl n PRO 172 Ca -0.18 0.75 -0.25 0.00 -0.04 0.00 0.00 63.50 63.78 1yrl n PRO 172 Cb 0.53 -2.86 -0.08 0.00 -0.04 0.00 0.00 33.50 31.04 1yrl n PRO 172 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1yrl s THR 173 N 5.51 3.30 0.07 0.52 -1.32 -0.82 -0.55 115.64 122.35 1yrl s THR 173 Ca 0.95 -1.74 0.03 0.00 -1.21 0.00 0.00 61.69 59.72 1yrl s THR 173 Cb -0.56 -2.69 -0.04 0.00 -1.51 0.00 0.00 72.50 67.70 1yrl s THR 173 CO 0.45 -0.21 0.07 -0.22 -2.21 0.00 0.00 174.62 172.50 1yrl s LEU 174 N -3.14 3.77 0.01 9.08 0.20 -0.32 -1.39 118.68 126.88 1yrl s LEU 174 Ca 0.27 -0.01 -0.02 0.00 0.69 0.00 0.00 54.13 55.06 1yrl s LEU 174 Cb -0.08 -2.42 -0.01 0.00 -0.43 0.00 0.00 46.19 43.25 1yrl s LEU 174 CO 0.17 0.19 0.03 0.27 -0.29 0.00 0.00 176.35 176.72 1yrl s ILE 175 N -1.35 0.08 0.23 6.68 -4.36 -0.36 -0.88 121.20 121.24 1yrl s ILE 175 Ca 0.28 -0.64 -0.18 0.00 -0.26 0.00 0.00 60.65 59.85 1yrl s ILE 175 Cb -0.12 -0.27 0.02 0.00 1.25 0.00 0.00 42.46 43.34 1yrl s ILE 175 CO 0.20 -0.35 0.57 0.00 0.24 0.00 0.00 174.94 175.60 1yrl s ALA 176 N -1.10 -0.90 -0.02 2.27 0.00 -0.96 -1.71 121.76 119.34 1yrl s ALA 176 Ca -0.12 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.49 1yrl s ALA 176 Cb -0.07 0.90 0.02 0.00 0.00 0.00 0.00 23.12 23.96 1yrl s ALA 176 CO -0.00 -0.88 -0.01 0.54 0.00 0.00 0.00 175.76 175.41 1yrl s VAL 177 N -3.91 0.16 0.14 0.00 0.11 -1.26 -0.37 120.40 115.27 1yrl s VAL 177 Ca 0.12 0.03 -0.31 0.00 -2.93 0.00 0.00 61.98 58.89 1yrl s VAL 177 Cb -0.02 -0.21 -0.08 0.00 -1.53 0.00 0.00 36.38 34.54 1yrl s VAL 177 CO 0.02 0.10 1.30 -2.28 -3.33 0.00 0.00 175.10 170.91 1yrl s HIS 178 N 0.61 3.31 0.00 1.54 2.46 -0.85 -4.72 115.29 117.64 1yrl s HIS 178 Ca -0.06 1.18 0.00 0.00 0.47 0.00 0.00 55.06 56.65 1yrl s HIS 178 Cb -0.09 -3.57 0.00 0.00 -0.13 0.00 0.00 32.58 28.79 1yrl s HIS 178 CO -0.01 -1.83 0.86 -2.30 -2.47 0.00 0.00 174.74 168.98 1yrl n PRO 179 N 3.29 0.00 0.00 2.88 -0.02 -1.26 -2.45 135.00 137.43 1yrl n PRO 179 Ca 0.08 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1yrl n PRO 179 Cb 0.44 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 1yrl n PRO 179 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1yrl n GLU 180 N -1.98 0.50 -2.87 -0.52 0.00 -1.26 -3.66 120.64 110.84 1yrl n GLU 180 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 57.04 1yrl n GLU 180 Cb 0.00 -1.25 0.04 0.00 0.00 0.00 0.00 31.44 30.23 1yrl n GLU 180 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1yrl n ASN 181 N 0.60 -0.33 -2.88 -1.84 4.13 -1.03 -4.87 115.26 109.04 1yrl n ASN 181 Ca 0.00 -3.04 -0.12 0.00 1.68 0.00 0.00 54.58 53.10 1yrl n ASN 181 Cb 0.21 0.35 0.05 0.00 -1.54 0.00 0.00 39.78 38.85 1yrl n ASN 181 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1yrl n ASP 182 N 0.09 -1.29 0.08 6.41 4.64 -1.24 -0.86 116.55 124.37 1yrl n ASP 182 Ca 0.12 -3.47 -0.12 0.00 -1.38 0.00 0.00 54.79 49.94 1yrl n ASP 182 Cb 0.74 1.09 -0.05 0.00 -1.04 0.00 0.00 41.12 41.85 1yrl n ASP 182 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1yrl h PRO 183 N 2.99 -0.28 0.00 -0.67 0.13 -1.85 -1.56 132.00 130.75 1yrl h PRO 183 Ca -0.04 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1yrl h PRO 183 Cb 1.06 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1yrl h PRO 183 CO 0.25 -0.19 0.00 1.63 -0.23 0.00 0.00 178.00 179.46 1yrl n LYS 184 N -5.29 0.74 -3.75 0.86 5.02 -1.26 -4.87 118.16 109.60 1yrl n LYS 184 Ca -0.06 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.00 1yrl n LYS 184 Cb 0.21 -1.45 0.03 0.00 -0.02 0.00 0.00 35.03 33.79 1yrl n LYS 184 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yrl n GLY 185 N 0.46 -0.31 0.15 0.72 0.00 -0.59 -4.89 105.19 100.72 1yrl n GLY 185 Ca 0.16 0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.39 1yrl n GLY 185 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1yrl n GLU 186 N -4.34 1.16 0.15 1.61 0.28 -1.26 -4.85 120.64 113.39 1yrl n GLU 186 Ca -0.25 -2.10 -0.16 0.00 -0.16 0.00 0.00 57.16 54.48 1yrl n GLU 186 Cb 0.66 -1.23 -0.09 0.00 1.43 0.00 0.00 31.44 32.21 1yrl n GLU 186 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1yrl h GLY 187 N 0.00 -1.05 1.30 -1.84 0.00 -1.90 -1.48 103.07 98.10 1yrl h GLY 187 Ca 0.00 0.57 -0.00 0.00 0.00 0.00 0.00 47.33 47.90 1yrl h GLY 187 CO 0.00 -0.29 0.43 -0.33 0.00 0.00 0.00 176.54 176.35 1yrl h MET 188 N -0.77 0.93 -0.32 4.80 2.86 -1.93 -0.53 114.93 119.98 1yrl h MET 188 Ca -0.01 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1yrl h MET 188 Cb 0.75 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1yrl h MET 188 CO -0.22 0.65 0.12 0.00 1.06 0.00 0.00 176.91 178.51 1yrl h ALA 189 N 1.52 0.37 0.17 6.32 0.00 -1.80 0.42 119.26 126.26 1yrl h ALA 189 Ca 0.25 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1yrl h ALA 189 Cb -0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1yrl h ALA 189 CO -0.05 -0.28 -0.08 0.82 0.00 0.00 0.00 179.25 179.66 1yrl h ILE 190 N 0.26 0.95 -0.25 0.00 2.04 -0.90 -2.16 117.51 117.45 1yrl h ILE 190 Ca 0.14 -0.81 0.05 0.00 1.00 0.00 0.00 64.86 65.25 1yrl h ILE 190 Cb 0.11 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 1yrl h ILE 190 CO -0.14 0.18 -0.10 0.00 0.00 0.00 0.00 178.15 178.09 1yrl h ALA 191 N 0.08 0.11 -0.58 1.87 0.00 -0.94 0.64 119.26 120.43 1yrl h ALA 191 Ca -0.02 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1yrl h ALA 191 Cb 0.47 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1yrl h ALA 191 CO 0.04 -0.51 0.35 0.87 0.00 0.00 0.00 179.25 180.00 1yrl h LYS 192 N -0.06 0.79 -0.25 0.00 1.57 -0.24 0.18 116.57 118.56 1yrl h LYS 192 Ca 0.13 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1yrl h LYS 192 Cb 0.25 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1yrl h LYS 192 CO -0.29 0.57 0.03 0.00 -0.57 0.00 0.00 179.45 179.19 1yrl h ALA 193 N 1.18 0.34 0.73 3.86 0.00 -0.80 -0.40 119.26 124.17 1yrl h ALA 193 Ca 0.21 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1yrl h ALA 193 Cb -0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1yrl h ALA 193 CO -0.04 0.04 -0.43 2.35 0.00 0.00 0.00 179.25 181.17 1yrl h TRP 194 N 0.23 -1.13 -0.76 0.00 7.01 0.51 -1.85 115.95 119.95 1yrl h TRP 194 Ca 0.08 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.21 1yrl h TRP 194 Cb 0.36 0.40 -0.10 0.00 -2.10 0.00 0.00 29.16 27.72 1yrl h TRP 194 CO 0.03 -0.65 0.28 0.00 -2.79 0.00 0.00 178.44 175.31 1yrl h ALA 195 N -1.32 1.08 -0.82 2.65 0.00 -0.66 0.11 119.26 120.29 1yrl h ALA 195 Ca -0.10 0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.05 1yrl h ALA 195 Cb 0.85 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 1yrl h ALA 195 CO 0.12 -0.25 0.54 0.00 0.00 0.00 0.00 179.25 179.65 1yrl h ALA 196 N 1.58 1.76 0.00 0.00 0.00 -0.83 0.24 119.26 122.01 1yrl h ALA 196 Ca 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1yrl h ALA 196 Cb 0.69 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1yrl h ALA 196 CO -0.44 0.06 0.00 0.00 0.00 0.00 0.00 179.25 178.87 1yrl n ALA 197 N -2.44 1.64 0.77 0.00 0.00 0.37 -1.94 120.51 118.91 1yrl n ALA 197 Ca 0.14 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.63 1yrl n ALA 197 Cb 0.35 -1.23 0.07 0.00 0.00 0.00 0.00 19.45 18.64 1yrl n ALA 197 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1yrl n THR 198 N -1.51 0.00 -0.70 0.00 -2.24 0.06 -4.96 114.28 104.92 1yrl n THR 198 Ca 0.03 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1yrl n THR 198 Cb 0.16 1.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 1yrl n THR 198 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yrl n GLY 199 N 1.05 0.69 0.17 3.38 0.00 -0.82 -4.75 105.19 104.91 1yrl n GLY 199 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 1yrl n GLY 199 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1yrl h GLY 200 N 0.00 0.50 1.44 -0.02 0.00 -1.71 -1.75 103.07 101.53 1yrl h GLY 200 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1yrl h GLY 200 CO 0.00 0.04 0.17 -2.39 0.00 0.00 0.00 176.54 174.36 1yrl n HIS 201 N -5.00 0.24 0.13 5.60 1.44 -1.26 -0.43 115.22 115.94 1yrl n HIS 201 Ca 0.02 0.13 0.06 0.00 -2.01 0.00 0.00 57.72 55.92 1yrl n HIS 201 Cb 0.13 -0.56 0.03 0.00 0.12 0.00 0.00 29.99 29.71 1yrl n HIS 201 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1yrl h ARG 202 N 0.00 0.00 0.00 -1.40 3.08 -1.63 -3.38 114.38 111.05 1yrl h ARG 202 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 1yrl h ARG 202 Cb 0.34 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1yrl h ARG 202 CO 0.00 0.21 -1.55 0.00 -1.07 0.00 0.00 179.97 177.56 1yrl n ALA 203 N -2.22 1.80 0.00 0.04 0.00 0.43 -3.41 120.51 117.15 1yrl n ALA 203 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1yrl n ALA 203 Cb 0.66 0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.29 1yrl n ALA 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yrl n GLY 204 N 2.77 4.35 3.18 0.00 0.00 0.22 -4.39 105.19 111.32 1yrl n GLY 204 Ca -0.15 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 1yrl n GLY 204 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yrl s VAL 205 N -0.32 1.80 -0.04 1.61 1.01 -1.26 -1.95 120.40 121.25 1yrl s VAL 205 Ca 0.00 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 1yrl s VAL 205 Cb 0.00 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 1yrl s VAL 205 CO 0.00 0.50 0.28 -0.76 0.00 0.00 0.00 175.10 175.13 1yrl s LEU 206 N 0.30 4.42 -0.57 3.92 1.02 -0.49 -1.85 118.68 125.44 1yrl s LEU 206 Ca -0.14 0.70 -0.16 0.00 0.02 0.00 0.00 54.13 54.55 1yrl s LEU 206 Cb -0.16 -2.42 0.14 0.00 0.02 0.00 0.00 46.19 43.77 1yrl s LEU 206 CO 0.06 0.34 0.52 -0.70 0.02 0.00 0.00 176.35 176.60 1yrl s GLU 207 N -1.21 3.04 0.00 1.70 2.12 0.25 -1.22 118.70 123.39 1yrl s GLU 207 Ca 0.21 -1.78 0.00 0.00 0.36 0.00 0.00 54.97 53.76 1yrl s GLU 207 Cb -0.14 -4.31 0.00 0.00 0.26 0.00 0.00 34.13 29.94 1yrl s GLU 207 CO 0.10 -1.32 0.00 0.45 -0.54 0.00 0.00 175.26 173.95 1yrl n SER 208 N 5.12 0.00 -4.08 -1.70 2.88 -0.69 -0.29 113.62 114.86 1yrl n SER 208 Ca -0.11 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.35 1yrl n SER 208 Cb 0.41 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.77 1yrl n SER 208 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1yrl s SER 209 N 0.61 0.39 0.22 -3.46 1.04 -1.21 -4.52 113.70 106.77 1yrl s SER 209 Ca 0.00 -1.03 -0.07 0.00 0.48 0.00 0.00 55.95 55.33 1yrl s SER 209 Cb 0.00 0.25 0.30 0.00 0.10 0.00 0.00 66.02 66.67 1yrl s SER 209 CO 0.00 -0.66 1.81 -0.26 0.98 0.00 0.00 173.24 175.11 1yrl h PHE 210 N 3.01 0.74 -0.26 5.02 -1.00 -1.93 0.90 116.94 123.42 1yrl h PHE 210 Ca -0.34 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.42 1yrl h PHE 210 Cb 1.17 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 40.49 1yrl h PHE 210 CO 0.49 0.33 -0.03 0.28 -1.61 0.00 0.00 178.31 177.77 1yrl h VAL 211 N 0.72 1.27 -0.41 -0.55 2.07 -1.93 -1.83 116.25 115.58 1yrl h VAL 211 Ca 0.34 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 1yrl h VAL 211 Cb 0.26 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1yrl h VAL 211 CO -0.21 0.31 0.09 0.00 0.02 0.00 0.00 177.57 177.78 1yrl h ALA 212 N 0.79 1.39 0.21 1.67 0.00 -1.58 -2.09 119.26 119.66 1yrl h ALA 212 Ca 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1yrl h ALA 212 Cb 0.47 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1yrl h ALA 212 CO 0.02 0.44 -0.10 1.49 0.00 0.00 0.00 179.25 181.10 1yrl h GLU 213 N 0.60 -0.27 0.70 0.00 4.22 -0.69 -3.06 114.58 116.08 1yrl h GLU 213 Ca 0.14 0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.56 1yrl h GLU 213 Cb 0.24 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1yrl h GLU 213 CO -0.00 0.09 -0.34 0.28 -2.18 0.00 0.00 179.01 176.86 1yrl h VAL 214 N -0.71 0.31 -0.87 0.32 2.07 -1.24 -0.66 116.25 115.46 1yrl h VAL 214 Ca -0.03 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.68 1yrl h VAL 214 Cb 0.49 0.31 -0.11 0.00 -1.52 0.00 0.00 31.29 30.46 1yrl h VAL 214 CO 0.05 0.00 0.41 0.11 0.02 0.00 0.00 177.57 178.16 1yrl h LYS 215 N -0.95 0.48 0.11 1.57 6.56 -1.51 -1.29 116.57 121.54 1yrl h LYS 215 Ca -0.10 -0.03 -0.29 0.00 -1.06 0.00 0.00 60.65 59.17 1yrl h LYS 215 Cb 0.72 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.27 1yrl h LYS 215 CO 0.16 0.32 -1.46 0.66 -2.06 0.00 0.00 179.45 177.07 1yrl h SER 216 N 0.49 0.35 -0.04 0.86 4.64 -1.51 -3.13 113.55 115.21 1yrl h SER 216 Ca 0.52 -0.46 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1yrl h SER 216 Cb 0.88 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1yrl h SER 216 CO -0.46 1.38 0.02 -0.78 -0.87 0.00 0.00 176.83 176.13 1yrl h ASP 217 N 0.06 0.06 -0.10 4.97 1.82 -0.72 -1.10 116.42 121.41 1yrl h ASP 217 Ca -0.21 -0.11 -0.06 0.00 -0.39 0.00 0.00 57.03 56.26 1yrl h ASP 217 Cb 1.99 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 41.97 1yrl h ASP 217 CO 0.16 0.15 -0.12 -0.07 -1.61 0.00 0.00 179.24 177.75 1yrl h LEU 218 N -0.04 0.41 -0.47 2.28 3.38 -1.39 -2.49 115.31 117.00 1yrl h LEU 218 Ca 0.02 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.72 1yrl h LEU 218 Cb 0.10 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1yrl h LEU 218 CO -0.00 0.56 -0.61 -0.03 0.09 0.00 0.00 178.44 178.45 1yrl h MET 219 N 0.40 0.52 -0.01 1.13 4.05 -1.45 -3.06 114.93 116.51 1yrl h MET 219 Ca 0.08 -0.36 -0.00 0.00 -0.28 0.00 0.00 59.70 59.13 1yrl h MET 219 Cb 0.45 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.31 1yrl h MET 219 CO 0.03 0.98 -0.00 0.78 0.23 0.00 0.00 176.91 178.92 1yrl h GLY 220 N 1.10 0.02 0.94 1.39 0.00 -0.87 -2.74 103.07 102.90 1yrl h GLY 220 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1yrl h GLY 220 CO 0.11 0.01 0.15 1.05 0.00 0.00 0.00 176.54 177.87 1yrl h GLU 221 N -0.36 0.60 -0.36 4.80 4.11 -1.56 0.86 114.58 122.67 1yrl h GLU 221 Ca 0.00 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 59.32 1yrl h GLU 221 Cb 0.39 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1yrl h GLU 221 CO 0.00 0.57 0.00 0.00 0.07 0.00 0.00 179.01 179.65 1yrl n GLN 222 N -4.64 1.66 0.00 1.06 10.64 -1.16 -1.55 117.38 123.39 1yrl n GLN 222 Ca -0.00 -0.85 0.00 0.00 -1.83 0.00 0.00 57.00 54.32 1yrl n GLN 222 Cb 0.15 -1.29 0.00 0.00 -0.86 0.00 0.00 30.24 28.24 1yrl n GLN 222 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1yrl n THR 223 N 0.17 0.00 -0.04 -0.39 -1.04 -1.03 -4.29 114.28 107.66 1yrl n THR 223 Ca 0.08 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.92 1yrl n THR 223 Cb 0.26 -0.30 -0.14 0.00 -1.82 0.00 0.00 70.33 68.33 1yrl n THR 223 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yrl n ILE 224 N -0.84 1.65 -0.19 12.58 0.00 -1.08 0.14 119.36 131.63 1yrl n ILE 224 Ca 0.00 -0.70 -0.06 0.00 0.00 0.00 0.00 62.75 61.99 1yrl n ILE 224 Cb 0.00 -1.38 0.09 0.00 0.00 0.00 0.00 39.64 38.35 1yrl n ILE 224 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1yrl h LEU 225 N 0.03 0.95 0.00 9.51 3.38 -1.02 -3.37 115.31 124.79 1yrl h LEU 225 Ca -0.43 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1yrl h LEU 225 Cb 2.03 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1yrl h LEU 225 CO 0.05 0.96 -0.22 0.00 0.09 0.00 0.00 178.44 179.32 1yrl h GLY 227 N 0.00 0.12 1.55 0.00 0.00 -1.56 0.22 103.07 103.39 1yrl h GLY 227 Ca 0.00 0.34 -0.09 0.00 0.00 0.00 0.00 47.33 47.58 1yrl h GLY 227 CO 0.00 -0.23 -0.18 -0.33 0.00 0.00 0.00 176.54 175.80 1yrl h MET 228 N -0.11 0.54 0.16 4.80 2.07 0.11 -1.68 114.93 120.82 1yrl h MET 228 Ca 0.26 -0.18 -0.01 0.00 -2.07 0.00 0.00 59.70 57.70 1yrl h MET 228 Cb 0.52 -0.04 0.00 0.00 -1.87 0.00 0.00 31.60 30.21 1yrl h MET 228 CO -0.66 0.70 -0.08 -0.07 1.07 0.00 0.00 176.91 177.87 1yrl h LEU 229 N 0.49 -0.18 0.50 1.22 4.07 -1.26 0.91 115.31 121.06 1yrl h LEU 229 Ca 0.08 -0.19 -0.02 0.00 0.08 0.00 0.00 57.88 57.83 1yrl h LEU 229 Cb 0.59 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.38 1yrl h LEU 229 CO 0.04 0.09 -0.26 -0.61 -1.08 0.00 0.00 178.44 176.62 1yrl h GLN 230 N -0.45 -0.67 -1.10 1.13 4.15 -0.56 0.98 115.11 118.59 1yrl h GLN 230 Ca -0.02 0.05 0.31 0.00 0.77 0.00 0.00 58.65 59.75 1yrl h GLN 230 Cb 0.35 0.15 -0.10 0.00 0.21 0.00 0.00 27.48 28.09 1yrl h GLN 230 CO 0.04 -0.44 0.71 0.00 -1.93 0.00 0.00 178.83 177.20 1yrl h ALA 231 N -1.63 2.34 -0.13 3.38 0.00 -1.39 0.62 119.26 122.45 1yrl h ALA 231 Ca -0.07 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1yrl h ALA 231 Cb 0.54 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1yrl h ALA 231 CO 0.10 -0.80 -0.05 0.78 0.00 0.00 0.00 179.25 179.28 1yrl h GLY 232 N 0.32 0.29 0.31 0.00 0.00 -0.43 -0.87 103.07 102.70 1yrl h GLY 232 Ca 0.65 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 1yrl h GLY 232 CO -0.33 0.23 -0.41 1.76 0.00 0.00 0.00 176.54 177.78 1yrl h SER 233 N -0.05 -1.17 0.22 0.19 0.02 0.15 0.82 113.55 113.72 1yrl h SER 233 Ca 0.03 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1yrl h SER 233 Cb 0.49 0.40 -0.04 0.00 0.14 0.00 0.00 62.40 63.39 1yrl h SER 233 CO 0.02 -0.51 -0.50 -0.07 -1.14 0.00 0.00 176.83 174.62 1yrl h LEU 234 N -0.75 -1.48 -0.80 5.07 3.38 -1.41 0.55 115.31 119.86 1yrl h LEU 234 Ca -0.04 0.15 0.18 0.00 0.09 0.00 0.00 57.88 58.26 1yrl h LEU 234 Cb 0.68 0.53 -0.12 0.00 0.09 0.00 0.00 40.66 41.84 1yrl h LEU 234 CO -0.10 -0.56 0.27 -0.07 0.09 0.00 0.00 178.44 178.06 1yrl h LEU 235 N -0.79 0.15 -0.16 1.67 3.38 -1.11 -0.91 115.31 117.54 1yrl h LEU 235 Ca -0.02 0.15 -0.23 0.00 0.09 0.00 0.00 57.88 57.87 1yrl h LEU 235 Cb 0.76 0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.69 1yrl h LEU 235 CO -0.22 -0.01 -0.81 0.00 0.09 0.00 0.00 178.44 177.49 1yrl h PHE 237 N 0.50 -0.46 -0.67 0.00 3.57 0.72 -1.57 116.94 119.03 1yrl h PHE 237 Ca -0.06 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.51 1yrl h PHE 237 Cb 1.44 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 40.29 1yrl h PHE 237 CO 0.09 -0.17 0.44 -0.44 -2.23 0.00 0.00 178.31 176.00 1yrl h ASP 238 N -0.73 0.53 -0.22 0.41 3.32 -1.29 -1.81 116.42 116.63 1yrl h ASP 238 Ca -0.05 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1yrl h ASP 238 Cb 0.50 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1yrl h ASP 238 CO 0.08 0.33 -0.07 0.50 -1.72 0.00 0.00 179.24 178.36 1yrl h LYS 239 N 0.60 0.44 0.58 3.56 1.63 -1.33 -0.29 116.57 121.75 1yrl h LYS 239 Ca 0.30 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 1yrl h LYS 239 Cb 0.39 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 1yrl h LYS 239 CO -0.10 0.69 -0.45 -0.07 -3.45 0.00 0.00 179.45 176.08 1yrl h LEU 240 N 0.16 -1.18 -0.22 5.20 3.38 -0.49 -0.98 115.31 121.17 1yrl h LEU 240 Ca 0.05 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1yrl h LEU 240 Cb 0.54 0.37 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 1yrl h LEU 240 CO 0.03 -0.64 -0.34 0.58 0.09 0.00 0.00 178.44 178.16 1yrl h VAL 241 N -0.99 0.25 -0.59 1.22 2.07 -1.43 0.22 116.25 116.99 1yrl h VAL 241 Ca -0.08 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.62 1yrl h VAL 241 Cb 0.82 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1yrl h VAL 241 CO 0.02 0.00 0.69 -0.08 0.02 0.00 0.00 177.57 178.22 1yrl h GLU 242 N -0.36 0.00 -0.71 1.57 4.81 -0.81 0.50 114.58 119.58 1yrl h GLU 242 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1yrl h GLU 242 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1yrl h GLU 242 CO -0.42 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.25 1yrl n GLU 243 N -3.51 3.23 0.00 1.92 -0.58 0.74 -4.98 120.64 117.45 1yrl n GLU 243 Ca 0.12 -2.80 0.00 0.00 -0.42 0.00 0.00 57.16 54.06 1yrl n GLU 243 Cb 0.90 -1.73 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 1yrl n GLU 243 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yrl n GLY 244 N 1.44 2.36 0.00 0.62 0.00 0.18 -5.06 105.19 104.73 1yrl n GLY 244 Ca 0.26 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1yrl n GLY 244 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1yrl n THR 245 N 0.00 0.00 -1.66 2.61 -1.04 -1.19 -4.66 114.28 108.33 1yrl n THR 245 Ca 0.00 0.00 -0.49 0.00 -2.04 0.00 0.00 64.05 61.52 1yrl n THR 245 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 1yrl n THR 245 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1yrl n ASP 246 N 0.00 2.92 -0.05 8.00 2.03 -1.26 -4.12 116.55 124.08 1yrl n ASP 246 Ca 0.00 1.05 0.17 0.00 0.52 0.00 0.00 54.79 56.53 1yrl n ASP 246 Cb 0.00 -1.35 0.60 0.00 -0.72 0.00 0.00 41.12 39.65 1yrl n ASP 246 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1yrl h PRO 247 N 6.84 0.18 -0.52 -0.67 0.13 -1.94 0.70 132.00 136.73 1yrl h PRO 247 Ca -0.47 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 1yrl h PRO 247 Cb 1.28 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1yrl h PRO 247 CO 0.90 0.12 -0.10 0.00 -0.23 0.00 0.00 178.00 178.69 1yrl h ALA 248 N 1.72 0.84 0.10 -0.56 0.00 -1.89 -1.31 119.26 118.15 1yrl h ALA 248 Ca 0.28 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1yrl h ALA 248 Cb 0.83 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1yrl h ALA 248 CO -0.05 0.65 -0.05 -0.92 0.00 0.00 0.00 179.25 178.89 1yrl h TYR 249 N 0.86 -0.12 -1.01 0.00 3.20 -1.40 0.23 116.97 118.73 1yrl h TYR 249 Ca 0.14 -0.00 0.24 0.00 3.14 0.00 0.00 58.73 62.25 1yrl h TYR 249 Cb 0.64 0.04 -0.12 0.00 1.54 0.00 0.00 36.73 38.83 1yrl h TYR 249 CO 0.04 0.40 0.60 0.00 -1.64 0.00 0.00 178.16 177.56 1yrl h ALA 250 N -0.12 1.80 -0.53 1.82 0.00 -0.95 -0.02 119.26 121.26 1yrl h ALA 250 Ca -0.01 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1yrl h ALA 250 Cb 0.58 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1yrl h ALA 250 CO 0.02 -0.27 0.30 1.49 0.00 0.00 0.00 179.25 180.80 1yrl h GLU 251 N 0.58 0.58 -0.25 0.00 4.57 -1.23 -2.41 114.58 116.42 1yrl h GLU 251 Ca 0.64 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.72 1yrl h GLU 251 Cb 1.22 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 1yrl h GLU 251 CO -0.47 0.38 -0.12 -0.22 -1.18 0.00 0.00 179.01 177.41 1yrl h LYS 252 N 0.60 0.53 -0.42 1.92 3.64 -0.99 -1.02 116.57 120.82 1yrl h LYS 252 Ca 0.22 -0.23 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1yrl h LYS 252 Cb 0.06 -0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 31.77 1yrl h LYS 252 CO -0.11 0.78 -0.47 -0.07 -2.27 0.00 0.00 179.45 177.31 1yrl h LEU 253 N 0.25 -1.58 0.49 5.20 3.38 -1.13 -0.35 115.31 121.58 1yrl h LEU 253 Ca 0.06 0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1yrl h LEU 253 Cb 0.62 0.67 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1yrl h LEU 253 CO 0.04 -0.38 -0.24 0.40 0.09 0.00 0.00 178.44 178.35 1yrl h ILE 254 N -0.34 0.46 -0.65 1.22 1.08 -1.43 1.37 117.51 119.22 1yrl h ILE 254 Ca 0.12 -0.30 0.13 0.00 -0.39 0.00 0.00 64.86 64.42 1yrl h ILE 254 Cb 0.59 0.59 -0.12 0.00 -3.07 0.00 0.00 36.82 34.80 1yrl h ILE 254 CO -0.59 0.05 -0.20 -0.61 -0.69 0.00 0.00 178.15 176.11 1yrl h GLN 255 N -0.86 -0.03 0.00 2.37 4.15 -0.93 -2.84 115.11 116.97 1yrl h GLN 255 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1yrl h GLN 255 Cb 0.58 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1yrl h GLN 255 CO 0.11 -0.02 -1.28 1.19 -1.93 0.00 0.00 178.83 176.90 1yrl n PHE 256 N -5.45 0.05 0.38 3.99 3.72 -0.16 -3.02 117.46 116.96 1yrl n PHE 256 Ca 0.08 0.01 -0.19 0.00 -0.05 0.00 0.00 57.45 57.30 1yrl n PHE 256 Cb 0.35 -0.23 -0.10 0.00 -0.94 0.00 0.00 39.48 38.56 1yrl n PHE 256 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1yrl h GLY 257 N 4.63 -1.23 -0.43 1.37 0.00 0.21 -2.03 103.07 105.59 1yrl h GLY 257 Ca 0.00 0.52 0.14 0.00 0.00 0.00 0.00 47.33 47.99 1yrl h GLY 257 CO 0.00 -0.41 -0.18 1.49 0.00 0.00 0.00 176.54 177.43 1yrl h TRP 258 N -1.09 -0.40 -0.11 5.60 -0.00 -1.77 -0.27 115.95 117.91 1yrl h TRP 258 Ca -0.09 0.06 0.03 0.00 -0.00 0.00 0.00 58.89 58.90 1yrl h TRP 258 Cb 0.89 0.29 -0.03 0.00 -0.00 0.00 0.00 29.16 30.31 1yrl h TRP 258 CO -0.14 -0.31 -0.09 1.49 -0.00 0.00 0.00 178.44 179.40 1yrl h GLU 259 N -0.01 -0.10 -0.47 0.49 4.81 -1.68 0.27 114.58 117.90 1yrl h GLU 259 Ca 0.34 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.60 1yrl h GLU 259 Cb 0.52 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1yrl h GLU 259 CO -0.74 -0.06 0.28 1.15 -0.73 0.00 0.00 179.01 178.91 1yrl h THR 260 N -0.10 1.05 0.20 0.32 2.02 -0.41 -2.33 112.91 113.66 1yrl h THR 260 Ca 0.07 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1yrl h THR 260 Cb 0.20 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1yrl h THR 260 CO -0.17 0.10 -0.10 0.40 0.37 0.00 0.00 175.52 176.13 1yrl h ILE 261 N 0.56 0.87 0.00 3.11 2.04 -0.86 -2.94 117.51 120.29 1yrl h ILE 261 Ca 0.19 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1yrl h ILE 261 Cb 0.01 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1yrl h ILE 261 CO -0.09 0.09 0.00 0.35 0.00 0.00 0.00 178.15 178.50 1yrl n THR 262 N -5.13 0.93 -0.21 -0.27 -2.24 0.06 -2.00 114.28 105.43 1yrl n THR 262 Ca -0.09 0.49 -0.09 0.00 -2.27 0.00 0.00 64.05 62.10 1yrl n THR 262 Cb 0.19 -1.47 0.02 0.00 -2.10 0.00 0.00 70.33 66.98 1yrl n THR 262 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1yrl h GLU 263 N 0.00 0.99 -0.35 -0.78 4.57 -1.22 0.28 114.58 118.07 1yrl h GLU 263 Ca 0.00 -0.28 -0.14 0.00 -1.18 0.00 0.00 59.36 57.76 1yrl h GLU 263 Cb 0.18 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1yrl h GLU 263 CO 0.00 0.95 -0.31 0.00 -1.18 0.00 0.00 179.01 178.47 1yrl h ALA 264 N 1.00 0.51 -0.60 2.92 0.00 -1.50 -2.61 119.26 118.98 1yrl h ALA 264 Ca 0.17 -0.42 0.07 0.00 0.00 0.00 0.00 54.91 54.74 1yrl h ALA 264 Cb 0.46 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1yrl h ALA 264 CO 0.02 0.56 0.40 1.25 0.00 0.00 0.00 179.25 181.47 1yrl h LEU 265 N 0.62 0.47 -0.52 0.00 5.85 -1.20 -0.47 115.31 120.06 1yrl h LEU 265 Ca 0.06 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.62 1yrl h LEU 265 Cb 0.89 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1yrl h LEU 265 CO 0.08 0.30 -0.56 0.50 -0.34 0.00 0.00 178.44 178.42 1yrl h LYS 266 N 0.53 0.54 0.09 1.25 3.64 -0.16 0.11 116.57 122.57 1yrl h LYS 266 Ca 0.26 -0.35 -0.26 0.00 -1.27 0.00 0.00 60.65 59.04 1yrl h LYS 266 Cb 0.36 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1yrl h LYS 266 CO -0.08 0.95 -1.20 1.96 -2.27 0.00 0.00 179.45 178.82 1yrl h GLN 267 N 0.41 0.18 -0.13 1.90 1.08 -0.93 -3.41 115.11 114.22 1yrl h GLN 267 Ca 0.01 -0.32 -0.18 0.00 -1.45 0.00 0.00 58.65 56.71 1yrl h GLN 267 Cb 1.10 0.12 -0.26 0.00 -0.05 0.00 0.00 27.48 28.39 1yrl h GLN 267 CO 0.10 1.14 -0.66 0.41 -0.95 0.00 0.00 178.83 178.87 1yrl n GLY 268 N 1.49 1.49 6.54 3.46 0.00 -0.28 -5.07 105.19 112.82 1yrl n GLY 268 Ca -0.07 -0.52 0.01 0.00 0.00 0.00 0.00 46.02 45.45 1yrl n GLY 268 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yrl n GLY 269 N -0.62 -0.57 0.33 -0.02 0.00 0.39 -1.98 105.19 102.72 1yrl n GLY 269 Ca -0.08 -0.58 0.17 0.00 0.00 0.00 0.00 46.02 45.52 1yrl n GLY 269 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1yrl h ILE 270 N -0.06 0.45 -0.55 -0.61 2.04 -1.90 -1.66 117.51 115.22 1yrl h ILE 270 Ca 0.00 -0.15 0.11 0.00 1.00 0.00 0.00 64.86 65.82 1yrl h ILE 270 Cb 0.06 -0.02 -0.10 0.00 -0.74 0.00 0.00 36.82 36.01 1yrl h ILE 270 CO 0.00 0.08 -0.10 0.74 0.00 0.00 0.00 178.15 178.87 1yrl h THR 271 N 0.44 0.48 -0.15 -0.27 2.02 -1.87 0.19 112.91 113.74 1yrl h THR 271 Ca 0.62 -0.01 -0.18 0.00 0.77 0.00 0.00 66.41 67.61 1yrl h THR 271 Cb 1.24 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1yrl h THR 271 CO -0.53 0.01 -0.65 0.25 0.37 0.00 0.00 175.52 174.96 1yrl h LEU 272 N 0.03 0.65 -0.16 2.58 5.85 -0.66 -0.99 115.31 122.61 1yrl h LEU 272 Ca 0.27 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.61 1yrl h LEU 272 Cb 0.42 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1yrl h LEU 272 CO -0.54 1.13 0.08 -0.03 -0.34 0.00 0.00 178.44 178.74 1yrl h MET 273 N 0.41 0.17 0.00 1.25 4.05 -0.84 -1.94 114.93 118.03 1yrl h MET 273 Ca -0.01 -0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.33 1yrl h MET 273 Cb 1.22 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.97 1yrl h MET 273 CO 0.12 0.11 -0.33 0.52 0.23 0.00 0.00 176.91 177.56 1yrl h MET 274 N 0.18 0.00 0.00 0.39 2.86 -0.60 -2.85 114.93 114.90 1yrl h MET 274 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1yrl h MET 274 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1yrl h MET 274 CO -0.04 0.33 0.00 -0.44 1.06 0.00 0.00 176.91 177.83 1yrl h ASP 275 N 0.00 0.00 1.29 1.22 3.45 -0.41 -2.84 116.42 119.14 1yrl h ASP 275 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1yrl h ASP 275 Cb 0.64 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.41 1yrl h ASP 275 CO 0.04 0.00 0.00 0.03 -1.57 0.00 0.00 179.24 177.74 1yrl h ARG 276 N 0.00 0.00 -6.81 3.56 2.47 -1.21 -3.45 114.38 108.94 1yrl h ARG 276 Ca 0.00 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.22 1yrl h ARG 276 Cb 0.50 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.83 1yrl h ARG 276 CO 0.00 0.00 0.08 -0.51 0.56 0.00 0.00 179.97 180.10 1yrl s LEU 277 N -5.31 3.82 0.77 3.04 1.43 -1.07 -4.93 118.68 116.43 1yrl s LEU 277 Ca 0.06 1.03 -0.11 0.00 -1.03 0.00 0.00 54.13 54.08 1yrl s LEU 277 Cb 0.09 -3.92 0.06 0.00 0.03 0.00 0.00 46.19 42.45 1yrl s LEU 277 CO 0.55 -0.41 1.09 -0.94 0.23 0.00 0.00 176.35 176.87 1yrl s SER 278 N -3.37 4.49 0.17 2.29 1.04 -1.26 -4.64 113.70 112.42 1yrl s SER 278 Ca 0.49 1.83 -0.17 0.00 0.48 0.00 0.00 55.95 58.58 1yrl s SER 278 Cb -0.10 -2.52 0.10 0.00 0.10 0.00 0.00 66.02 63.60 1yrl s SER 278 CO 0.34 -2.04 1.67 0.78 0.98 0.00 0.00 173.24 174.96 1yrl h ASN 279 N -1.12 -0.37 -0.48 7.02 2.35 -1.95 0.35 115.58 121.37 1yrl h ASN 279 Ca -0.44 0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.41 1yrl h ASN 279 Cb 1.23 0.25 -0.03 0.00 0.05 0.00 0.00 38.32 39.83 1yrl h ASN 279 CO 0.51 -0.13 0.22 1.55 -1.65 0.00 0.00 177.43 177.93 1yrl h PRO 280 N 0.00 0.75 -0.33 0.81 0.13 -1.87 -1.25 132.00 130.25 1yrl h PRO 280 Ca 0.20 -0.10 -0.18 0.00 -0.87 0.00 0.00 66.00 65.05 1yrl h PRO 280 Cb 0.30 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.29 1yrl h PRO 280 CO -0.42 0.61 -0.48 0.00 -0.23 0.00 0.00 178.00 177.48 1yrl h ALA 281 N 1.50 0.50 -0.52 -0.56 0.00 -1.58 -2.65 119.26 115.96 1yrl h ALA 281 Ca 0.18 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1yrl h ALA 281 Cb 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1yrl h ALA 281 CO -0.02 0.67 0.33 -0.22 0.00 0.00 0.00 179.25 180.01 1yrl h LYS 282 N 0.71 0.69 -0.56 0.00 3.64 0.19 0.26 116.57 121.49 1yrl h LYS 282 Ca 0.03 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1yrl h LYS 282 Cb 1.08 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.73 1yrl h LYS 282 CO 0.11 0.47 0.31 -0.07 -2.27 0.00 0.00 179.45 178.00 1yrl h LEU 283 N 0.69 0.71 -0.34 5.20 3.38 -1.24 0.19 115.31 123.90 1yrl h LEU 283 Ca 0.19 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1yrl h LEU 283 Cb -0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1yrl h LEU 283 CO -0.04 0.60 -0.02 -0.09 0.09 0.00 0.00 178.44 178.98 1yrl h ARG 284 N 0.76 0.61 -0.82 1.13 9.65 -1.07 -1.28 114.38 123.35 1yrl h ARG 284 Ca 0.20 -0.20 0.03 0.00 -1.10 0.00 0.00 59.98 58.90 1yrl h ARG 284 Cb 0.05 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.54 1yrl h ARG 284 CO -0.03 0.75 0.54 0.00 2.80 0.00 0.00 179.97 184.03 1yrl h ALA 285 N 0.84 1.48 0.36 2.80 0.00 -0.16 0.12 119.26 124.70 1yrl h ALA 285 Ca 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1yrl h ALA 285 Cb 0.48 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1yrl h ALA 285 CO 0.02 0.45 -0.17 -0.92 0.00 0.00 0.00 179.25 178.62 1yrl h TYR 286 N 1.04 -0.45 -0.10 0.00 3.20 -0.08 0.69 116.97 121.27 1yrl h TYR 286 Ca 0.32 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.20 1yrl h TYR 286 Cb 0.00 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1yrl h TYR 286 CO -0.00 -0.24 -0.03 0.00 -1.64 0.00 0.00 178.16 176.25 1yrl h ALA 287 N 0.08 0.06 -0.61 1.82 0.00 -0.90 -1.14 119.26 118.58 1yrl h ALA 287 Ca -0.05 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1yrl h ALA 287 Cb 0.41 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1yrl h ALA 287 CO 0.08 -0.49 0.40 -0.07 0.00 0.00 0.00 179.25 179.17 1yrl h LEU 288 N -0.01 0.56 0.10 0.00 3.38 -0.89 -0.99 115.31 117.47 1yrl h LEU 288 Ca 0.05 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1yrl h LEU 288 Cb 0.08 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1yrl h LEU 288 CO -0.11 0.37 -0.05 -1.28 0.09 0.00 0.00 178.44 177.47 1yrl h SER 289 N 0.64 -0.12 0.72 -0.43 0.87 0.29 -1.74 113.55 113.78 1yrl h SER 289 Ca 0.25 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 1yrl h SER 289 Cb 0.20 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1yrl h SER 289 CO -0.07 -0.02 -0.41 -0.33 -0.53 0.00 0.00 176.83 175.47 1yrl h GLU 290 N -0.21 -1.01 -0.89 2.24 4.39 -0.38 -0.85 114.58 117.87 1yrl h GLU 290 Ca -0.01 0.07 0.24 0.00 0.34 0.00 0.00 59.36 60.00 1yrl h GLU 290 Cb 0.17 0.23 -0.15 0.00 -0.10 0.00 0.00 28.75 28.90 1yrl h GLU 290 CO 0.02 -0.67 0.22 1.96 -1.16 0.00 0.00 179.01 179.37 1yrl h GLN 291 N -1.05 0.17 -0.04 2.33 4.20 -1.22 0.14 115.11 119.64 1yrl h GLN 291 Ca -0.09 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1yrl h GLN 291 Cb 0.83 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 1yrl h GLN 291 CO 0.12 0.11 0.03 1.25 -0.67 0.00 0.00 178.83 179.67 1yrl h LEU 292 N 0.18 0.05 -0.86 1.46 5.85 -0.87 -2.07 115.31 119.05 1yrl h LEU 292 Ca 0.56 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.24 1yrl h LEU 292 Cb 1.15 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 1yrl h LEU 292 CO -0.69 0.07 0.51 0.11 -0.34 0.00 0.00 178.44 178.10 1yrl h LYS 293 N 0.03 1.17 -0.70 1.25 1.57 0.64 0.10 116.57 120.63 1yrl h LYS 293 Ca 0.02 -0.11 0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1yrl h LYS 293 Cb 0.02 -0.24 -0.07 0.00 0.08 0.00 0.00 32.23 32.02 1yrl h LYS 293 CO -0.00 0.83 0.35 1.49 -0.57 0.00 0.00 179.45 181.55 1yrl h GLU 294 N 1.19 0.58 0.03 3.15 4.81 -0.76 0.62 114.58 124.18 1yrl h GLU 294 Ca 0.31 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.34 1yrl h GLU 294 Cb -0.03 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.23 1yrl h GLU 294 CO -0.06 0.38 -0.66 0.82 -0.73 0.00 0.00 179.01 178.77 1yrl h ILE 295 N 0.59 1.44 0.00 2.32 2.04 -0.67 -3.31 117.51 119.92 1yrl h ILE 295 Ca 0.34 -2.17 0.00 0.00 1.00 0.00 0.00 64.86 64.04 1yrl h ILE 295 Cb 0.36 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 1yrl h ILE 295 CO -0.27 0.63 0.00 0.23 0.00 0.00 0.00 178.15 178.74 1yrl n MET 296 N -4.19 0.16 -0.01 2.37 2.81 -0.04 -4.31 117.12 113.91 1yrl n MET 296 Ca -0.11 0.02 -0.01 0.00 -1.81 0.00 0.00 57.70 55.79 1yrl n MET 296 Cb 0.71 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.71 1yrl n MET 296 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1yrl h ALA 297 N 3.11 -0.28 -1.06 3.04 0.00 -0.96 -1.38 119.26 121.73 1yrl h ALA 297 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 54.91 55.21 1yrl h ALA 297 Cb 0.39 0.78 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 1yrl h ALA 297 CO 0.00 -0.30 0.74 -1.00 0.00 0.00 0.00 179.25 178.68 1yrl h PRO 298 N -0.02 0.13 -0.21 0.00 0.13 -1.83 -1.29 132.00 128.90 1yrl h PRO 298 Ca 0.01 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 1yrl h PRO 298 Cb 0.04 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.14 1yrl h PRO 298 CO -0.04 0.09 -0.18 1.25 -0.23 0.00 0.00 178.00 178.88 1yrl h LEU 299 N 0.14 0.53 -0.46 1.56 5.85 -1.55 0.12 115.31 121.48 1yrl h LEU 299 Ca 0.54 -0.46 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1yrl h LEU 299 Cb 1.86 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.72 1yrl h LEU 299 CO -0.10 0.88 0.07 -0.26 -0.34 0.00 0.00 178.44 178.69 1yrl h PHE 300 N 0.18 0.82 -0.27 1.25 -1.00 -0.39 -1.04 116.94 116.51 1yrl h PHE 300 Ca 0.04 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.70 1yrl h PHE 300 Cb 0.72 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 40.04 1yrl h PHE 300 CO 0.08 0.77 0.17 1.96 -1.61 0.00 0.00 178.31 179.68 1yrl h GLN 301 N 0.64 0.34 -0.29 1.51 4.20 -1.24 0.76 115.11 121.04 1yrl h GLN 301 Ca 0.14 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.89 1yrl h GLN 301 Cb 0.40 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.04 1yrl h GLN 301 CO 0.01 0.23 -0.08 -0.22 -0.67 0.00 0.00 178.83 178.10 1yrl h LYS 302 N 0.35 -0.01 -0.32 1.46 3.64 -0.48 0.35 116.57 121.56 1yrl h LYS 302 Ca 0.10 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1yrl h LYS 302 Cb -0.04 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1yrl h LYS 302 CO -0.03 -0.01 0.18 0.45 -2.27 0.00 0.00 179.45 177.78 1yrl h HIS 303 N -0.01 0.35 -0.63 1.91 3.86 -0.73 -0.57 115.15 119.32 1yrl h HIS 303 Ca 0.14 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 1yrl h HIS 303 Cb 0.22 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 1yrl h HIS 303 CO -0.28 0.20 0.31 1.98 0.86 0.00 0.00 177.93 181.00 1yrl h MET 304 N 0.38 0.91 -0.33 2.45 1.85 -0.19 -2.25 114.93 117.75 1yrl h MET 304 Ca 0.12 -0.13 -0.01 0.00 -0.61 0.00 0.00 59.70 59.06 1yrl h MET 304 Cb -0.00 -0.16 -0.01 0.00 0.43 0.00 0.00 31.60 31.85 1yrl h MET 304 CO -0.06 0.73 0.15 -0.44 -0.40 0.00 0.00 176.91 176.89 1yrl h ASP 305 N 0.87 0.43 0.53 1.39 3.32 0.00 -1.66 116.42 121.31 1yrl h ASP 305 Ca 0.22 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1yrl h ASP 305 Cb 0.12 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1yrl h ASP 305 CO -0.03 0.45 -0.10 0.44 -1.72 0.00 0.00 179.24 178.29 1yrl h ASP 306 N 0.38 0.00 0.83 6.45 3.32 -0.97 -0.17 116.42 126.26 1yrl h ASP 306 Ca 0.11 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.95 1yrl h ASP 306 Cb 0.14 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1yrl h ASP 306 CO -0.01 0.10 -1.00 0.40 -1.72 0.00 0.00 179.24 177.01 1yrl h ILE 307 N 0.00 1.62 0.23 0.35 2.04 -0.96 -0.53 117.51 120.26 1yrl h ILE 307 Ca -0.00 -3.13 -0.01 0.00 1.00 0.00 0.00 64.86 62.72 1yrl h ILE 307 Cb 0.39 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.23 1yrl h ILE 307 CO 0.01 0.90 -0.11 0.40 0.00 0.00 0.00 178.15 179.35 1yrl h ILE 308 N 0.03 0.00 -0.21 -0.67 1.08 -0.42 -3.29 117.51 114.04 1yrl h ILE 308 Ca -0.04 -0.45 0.06 0.00 -0.39 0.00 0.00 64.86 64.04 1yrl h ILE 308 Cb 1.71 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.45 1yrl h ILE 308 CO 0.14 0.00 0.24 0.77 -0.69 0.00 0.00 178.15 178.61 1yrl h SER 309 N -0.75 0.00 0.00 1.72 4.64 -1.18 -3.45 113.55 114.52 1yrl h SER 309 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1yrl h SER 309 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1yrl h SER 309 CO 0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 1yrl n GLY 310 N -1.40 0.77 0.28 -0.77 0.00 -0.56 -4.91 105.19 98.59 1yrl n GLY 310 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.18 1yrl n GLY 310 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1yrl h GLU 311 N 3.37 0.00 0.10 1.61 4.57 -1.49 -1.33 114.58 121.41 1yrl h GLU 311 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1yrl h GLU 311 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1yrl h GLU 311 CO 0.00 0.07 -0.05 0.35 -1.18 0.00 0.00 179.01 178.20 1yrl h PHE 312 N 0.00 -0.12 -1.06 0.92 3.57 -1.51 -2.18 116.94 116.56 1yrl h PHE 312 Ca -0.00 -0.00 0.28 0.00 3.53 0.00 0.00 57.97 61.78 1yrl h PHE 312 Cb 0.20 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 38.90 1yrl h PHE 312 CO 0.00 -0.08 0.70 0.66 -2.23 0.00 0.00 178.31 177.36 1yrl h SER 313 N -0.76 0.36 -0.06 0.41 4.64 -1.76 0.15 113.55 116.53 1yrl h SER 313 Ca -0.01 0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.30 1yrl h SER 313 Cb 0.10 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1yrl h SER 313 CO 0.02 0.06 -0.24 -1.28 -0.87 0.00 0.00 176.83 174.52 1yrl h SER 314 N 0.32 0.31 -0.88 4.97 0.87 -1.35 -0.99 113.55 116.80 1yrl h SER 314 Ca 0.59 -0.64 0.06 0.00 -1.23 0.00 0.00 61.79 60.56 1yrl h SER 314 Cb 1.64 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 63.45 1yrl h SER 314 CO -0.25 0.91 0.55 1.23 -0.53 0.00 0.00 176.83 178.74 1yrl h GLY 315 N -0.26 1.32 1.35 5.77 0.00 -0.12 -1.01 103.07 110.12 1yrl h GLY 315 Ca -0.01 -0.41 -0.26 0.00 0.00 0.00 0.00 47.33 46.65 1yrl h GLY 315 CO 0.05 0.29 -1.07 1.98 0.00 0.00 0.00 176.54 177.79 1yrl h MET 316 N 1.02 0.57 0.00 4.80 -1.53 -1.05 -2.87 114.93 115.87 1yrl h MET 316 Ca 0.38 -0.66 0.00 0.00 -3.44 0.00 0.00 59.70 55.98 1yrl h MET 316 Cb 0.14 0.20 0.00 0.00 -0.55 0.00 0.00 31.60 31.39 1yrl h MET 316 CO -0.16 1.26 0.00 0.52 0.14 0.00 0.00 176.91 178.67 1yrl h MET 317 N 0.30 0.00 0.09 0.39 2.86 -0.81 -1.12 114.93 116.64 1yrl h MET 317 Ca -0.13 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.34 1yrl h MET 317 Cb 1.73 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.41 1yrl h MET 317 CO 0.20 0.00 -0.71 0.00 1.06 0.00 0.00 176.91 177.46 1yrl h ALA 318 N 2.04 -0.03 0.00 6.32 0.00 -1.06 -3.08 119.26 123.45 1yrl h ALA 318 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1yrl h ALA 318 Cb 0.19 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1yrl h ALA 318 CO 0.00 0.35 0.00 -3.47 0.00 0.00 0.00 179.25 176.13 1yrl n ASP 319 N -4.18 0.40 0.08 0.00 2.03 -0.49 -0.65 116.55 113.73 1yrl n ASP 319 Ca -0.12 0.64 -0.08 0.00 0.52 0.00 0.00 54.79 55.74 1yrl n ASP 319 Cb 0.76 -0.71 0.04 0.00 -0.72 0.00 0.00 41.12 40.49 1yrl n ASP 319 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 1yrl h TRP 320 N 0.00 0.38 0.00 -0.67 4.06 -1.29 0.78 115.95 119.20 1yrl h TRP 320 Ca 0.00 -0.18 -0.17 0.00 2.06 0.00 0.00 58.89 60.61 1yrl h TRP 320 Cb 0.17 -0.05 -0.03 0.00 -1.00 0.00 0.00 29.16 28.25 1yrl h TRP 320 CO 0.00 0.93 -1.00 0.00 -3.56 0.00 0.00 178.44 174.80 1yrl h ALA 321 N 1.02 0.61 -0.32 1.49 0.00 -0.94 -3.21 119.26 117.91 1yrl h ALA 321 Ca -0.03 -0.78 -0.09 0.00 0.00 0.00 0.00 54.91 54.02 1yrl h ALA 321 Cb 1.33 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1yrl h ALA 321 CO 0.12 0.95 0.11 -1.71 0.00 0.00 0.00 179.25 178.72 1yrl n ASN 322 N -3.14 3.17 -3.68 0.00 4.05 -0.54 -4.89 115.26 110.24 1yrl n ASN 322 Ca -0.04 -2.52 -0.31 0.00 0.45 0.00 0.00 54.58 52.16 1yrl n ASN 322 Cb 0.84 -0.61 0.04 0.00 1.23 0.00 0.00 39.78 41.29 1yrl n ASN 322 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1yrl n ASP 323 N 0.09 -5.15 -2.48 1.20 10.43 -1.15 -2.39 116.55 117.09 1yrl n ASP 323 Ca 0.17 -1.01 -0.01 0.00 2.57 0.00 0.00 54.79 56.52 1yrl n ASP 323 Cb 0.80 -3.43 -0.00 0.00 1.84 0.00 0.00 41.12 40.33 1yrl n ASP 323 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1yrl n ASP 324 N -2.70 -0.99 0.00 -2.24 8.00 0.27 -4.84 116.55 114.05 1yrl n ASP 324 Ca -0.10 0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.86 1yrl n ASP 324 Cb 0.60 -0.98 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1yrl n ASP 324 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1yrl n LYS 325 N -2.46 0.00 -0.35 -1.24 4.81 -1.01 -0.31 118.16 117.60 1yrl n LYS 325 Ca 0.00 0.73 0.15 0.00 -0.87 0.00 0.00 58.31 58.31 1yrl n LYS 325 Cb 0.49 -1.32 0.34 0.00 0.02 0.00 0.00 35.03 34.56 1yrl n LYS 325 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1yrl h LYS 326 N 0.00 0.66 -0.77 1.64 1.57 -1.88 0.16 116.57 117.95 1yrl h LYS 326 Ca 0.00 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1yrl h LYS 326 Cb 0.00 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.12 1yrl h LYS 326 CO 0.00 0.44 0.41 1.25 -0.57 0.00 0.00 179.45 180.98 1yrl h LEU 327 N 0.68 0.96 0.01 2.94 7.12 -1.70 -1.86 115.31 123.46 1yrl h LEU 327 Ca 0.60 -0.08 -0.26 0.00 0.13 0.00 0.00 57.88 58.26 1yrl h LEU 327 Cb 1.02 -0.24 -0.04 0.00 -0.53 0.00 0.00 40.66 40.87 1yrl h LEU 327 CO -0.42 0.78 -1.45 -0.07 -0.13 0.00 0.00 178.44 177.15 1yrl h LEU 328 N 1.08 0.03 -1.02 2.25 3.38 1.00 -2.68 115.31 119.33 1yrl h LEU 328 Ca 0.27 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1yrl h LEU 328 Cb 0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1yrl h LEU 328 CO -0.04 1.04 0.11 0.71 0.09 0.00 0.00 178.44 180.34 1yrl h THR 329 N 0.00 1.23 0.06 0.22 1.35 -0.60 -1.25 112.91 113.92 1yrl h THR 329 Ca -0.19 -0.84 -0.24 0.00 -0.55 0.00 0.00 66.41 64.60 1yrl h THR 329 Cb 1.93 0.71 -0.01 0.00 -1.73 0.00 0.00 68.15 69.05 1yrl h THR 329 CO 0.10 0.31 -1.10 -0.50 -0.25 0.00 0.00 175.52 174.08 1yrl h TRP 330 N 0.78 0.24 -0.24 4.73 6.55 -1.44 -0.68 115.95 125.89 1yrl h TRP 330 Ca 0.17 -0.17 -0.08 0.00 0.95 0.00 0.00 58.89 59.76 1yrl h TRP 330 Cb 0.32 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 28.59 1yrl h TRP 330 CO 0.02 1.13 -0.18 -0.09 -1.05 0.00 0.00 178.44 178.27 1yrl h ARG 331 N 0.04 0.42 0.00 0.49 2.43 -1.17 -1.56 114.38 115.03 1yrl h ARG 331 Ca -0.07 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 58.95 1yrl h ARG 331 Cb 1.85 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.36 1yrl h ARG 331 CO 0.16 0.59 -0.24 1.49 -1.51 0.00 0.00 179.97 180.47 1yrl h GLU 332 N 0.38 0.00 -1.04 0.20 4.81 -1.26 -3.24 114.58 114.44 1yrl h GLU 332 Ca 0.07 0.00 0.29 0.00 -0.13 0.00 0.00 59.36 59.59 1yrl h GLU 332 Cb 0.54 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.79 1yrl h GLU 332 CO 0.04 0.31 0.62 1.49 -0.73 0.00 0.00 179.01 180.74 1yrl h GLU 333 N -1.00 0.41 -0.11 1.92 4.57 -1.16 0.22 114.58 119.44 1yrl h GLU 333 Ca -0.04 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.04 1yrl h GLU 333 Cb 0.45 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1yrl h GLU 333 CO -0.02 0.27 -0.28 0.00 -1.18 0.00 0.00 179.01 177.80 1yrl h THR 334 N 0.42 1.25 0.00 0.32 1.03 -1.40 -2.74 112.91 111.78 1yrl h THR 334 Ca 0.68 -1.16 -0.03 0.00 -0.01 0.00 0.00 66.41 65.89 1yrl h THR 334 Cb 1.53 1.48 -0.00 0.00 -1.07 0.00 0.00 68.15 70.09 1yrl h THR 334 CO -0.47 0.35 -0.16 1.23 -0.01 0.00 0.00 175.52 176.45 1yrl h GLY 335 N 0.99 0.00 1.29 2.99 0.00 -0.58 -2.82 103.07 104.95 1yrl h GLY 335 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1yrl h GLY 335 CO 0.04 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.86 1yrl n LYS 336 N -3.27 0.68 -2.01 4.80 5.02 -1.03 -4.44 118.16 117.90 1yrl n LYS 336 Ca 0.01 0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.94 1yrl n LYS 336 Cb 0.42 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.96 1yrl n LYS 336 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1yrl s THR 337 N -2.29 2.59 0.11 -0.18 -4.23 -1.06 -4.88 115.64 105.70 1yrl s THR 337 Ca 0.36 0.41 -0.31 0.00 -1.18 0.00 0.00 61.69 60.96 1yrl s THR 337 Cb 0.20 -3.18 -0.10 0.00 1.34 0.00 0.00 72.50 70.76 1yrl s THR 337 CO 0.39 -0.05 1.58 0.00 -0.54 0.00 0.00 174.62 176.01 1yrl h ALA 338 N 1.29 -0.76 -0.63 3.99 0.00 -1.90 -1.86 119.26 119.40 1yrl h ALA 338 Ca -0.50 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 54.47 1yrl h ALA 338 Cb 1.29 0.76 -0.10 0.00 0.00 0.00 0.00 17.79 19.73 1yrl h ALA 338 CO 0.57 -1.00 0.05 0.35 0.00 0.00 0.00 179.25 179.22 1yrl h PHE 339 N -0.64 0.06 -0.27 0.00 3.04 -1.94 0.07 116.94 117.25 1yrl h PHE 339 Ca 0.03 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.01 1yrl h PHE 339 Cb 0.69 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.25 1yrl h PHE 339 CO -0.41 -0.13 0.12 0.93 -2.02 0.00 0.00 178.31 176.80 1yrl h GLU 340 N 0.17 0.37 -2.26 1.11 4.39 -1.75 -3.16 114.58 113.45 1yrl h GLU 340 Ca 0.33 -0.04 -0.62 0.00 0.34 0.00 0.00 59.36 59.38 1yrl h GLU 340 Cb 0.54 -0.08 -0.41 0.00 -0.10 0.00 0.00 28.75 28.71 1yrl h GLU 340 CO -0.50 0.31 -0.47 0.25 -1.16 0.00 0.00 179.01 177.44 1yrl n THR 341 N -4.43 2.76 -4.07 1.13 -2.24 -0.03 -5.03 114.28 102.37 1yrl n THR 341 Ca 0.01 -5.34 -0.12 0.00 -2.27 0.00 0.00 64.05 56.32 1yrl n THR 341 Cb 0.12 -2.00 -0.11 0.00 -2.10 0.00 0.00 70.33 66.24 1yrl n THR 341 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yrl s ALA 342 N -2.67 0.57 0.28 6.98 0.00 -0.94 -4.78 121.76 121.19 1yrl s ALA 342 Ca 0.40 -0.81 -0.29 0.00 0.00 0.00 0.00 51.96 51.26 1yrl s ALA 342 Cb 0.16 0.07 -0.09 0.00 0.00 0.00 0.00 23.12 23.25 1yrl s ALA 342 CO -0.02 -0.06 1.14 -1.25 0.00 0.00 0.00 175.76 175.57 1yrl s PRO 343 N -1.81 4.59 -0.17 0.00 0.04 -1.26 -5.02 135.00 131.37 1yrl s PRO 343 Ca -0.08 1.86 -0.17 0.00 0.04 0.00 0.00 61.00 62.65 1yrl s PRO 343 Cb -0.08 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1yrl s PRO 343 CO -0.00 0.13 0.43 -1.14 0.04 0.00 0.00 177.00 176.46 1yrl s GLN 344 N -1.35 4.24 0.29 4.56 0.74 -1.26 -3.89 119.66 123.00 1yrl s GLN 344 Ca 0.46 0.30 -0.27 0.00 0.05 0.00 0.00 55.36 55.90 1yrl s GLN 344 Cb -0.33 -3.49 -0.14 0.00 1.10 0.00 0.00 33.01 30.15 1yrl s GLN 344 CO 0.42 0.05 0.91 0.98 -0.55 0.00 0.00 175.29 177.10 1yrl n TYR 345 N 4.14 0.91 0.04 1.67 -0.00 0.06 -4.90 117.16 119.08 1yrl n TYR 345 Ca -0.08 0.73 -0.22 0.00 -0.00 0.00 0.00 57.90 58.33 1yrl n TYR 345 Cb 0.51 -2.19 -0.14 0.00 -0.00 0.00 0.00 39.34 37.52 1yrl n TYR 345 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 1yrl h GLU 346 N 1.75 0.33 0.00 2.98 4.57 -1.96 -3.48 114.58 118.78 1yrl h GLU 346 Ca -0.38 -0.57 0.00 0.00 -1.18 0.00 0.00 59.36 57.23 1yrl h GLU 346 Cb 1.36 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 30.16 1yrl h GLU 346 CO 0.59 1.27 0.00 0.41 -1.18 0.00 0.00 179.01 180.11 1yrl n GLY 347 N 1.88 -3.32 3.38 1.92 0.00 -1.26 -5.05 105.19 102.73 1yrl n GLY 347 Ca -0.27 -1.22 -0.21 0.00 0.00 0.00 0.00 46.02 44.32 1yrl n GLY 347 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yrl s LYS 348 N -0.57 1.42 -0.15 1.61 2.47 -1.26 -5.13 119.74 118.13 1yrl s LYS 348 Ca 0.00 -1.59 -0.00 0.00 -1.56 0.00 0.00 55.97 52.82 1yrl s LYS 348 Cb 0.00 -1.37 0.03 0.00 -1.46 0.00 0.00 37.83 35.03 1yrl s LYS 348 CO 0.00 0.25 -0.08 0.42 0.16 0.00 0.00 175.35 176.10 1yrl s ILE 349 N -2.58 1.23 0.42 5.43 1.01 -1.26 -5.12 121.20 120.33 1yrl s ILE 349 Ca 0.23 -0.56 -0.26 0.00 0.00 0.00 0.00 60.65 60.06 1yrl s ILE 349 Cb -0.03 -1.29 -0.09 0.00 0.01 0.00 0.00 42.46 41.06 1yrl s ILE 349 CO 0.09 0.27 1.45 -0.83 0.00 0.00 0.00 174.94 175.92 1yrl s GLY 350 N 1.61 2.93 0.24 6.18 0.00 -1.26 -4.87 107.32 112.14 1yrl s GLY 350 Ca 0.03 1.50 -0.12 0.00 0.00 0.00 0.00 44.72 46.12 1yrl s GLY 350 CO -0.08 2.14 1.58 -2.09 0.00 0.00 0.00 173.10 174.65 1yrl h GLU 351 N 2.57 -0.02 0.00 2.90 4.81 -2.02 0.75 114.58 123.58 1yrl h GLU 351 Ca -0.51 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 1yrl h GLU 351 Cb 1.26 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1yrl h GLU 351 CO 0.62 -0.01 -0.05 0.37 -0.73 0.00 0.00 179.01 179.20 1yrl h GLN 352 N -0.02 0.00 -0.35 1.92 5.75 -2.00 -2.66 115.11 117.74 1yrl h GLN 352 Ca 0.38 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.85 1yrl h GLN 352 Cb 0.60 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 1yrl h GLN 352 CO -0.85 0.05 0.12 0.93 -2.65 0.00 0.00 178.83 176.43 1yrl h GLU 353 N 0.00 0.54 -0.80 1.69 5.08 0.20 -0.93 114.58 120.35 1yrl h GLU 353 Ca -0.00 -0.11 0.22 0.00 -1.00 0.00 0.00 59.36 58.47 1yrl h GLU 353 Cb 0.15 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1yrl h GLU 353 CO 0.01 0.55 0.57 1.88 -1.00 0.00 0.00 179.01 181.02 1yrl h TYR 354 N 0.41 0.08 0.00 4.33 -1.99 -1.32 0.34 116.97 118.83 1yrl h TYR 354 Ca 0.11 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.85 1yrl h TYR 354 Cb 0.23 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.94 1yrl h TYR 354 CO 0.00 0.02 -0.06 0.74 -0.00 0.00 0.00 178.16 178.87 1yrl h PHE 355 N 0.06 0.00 -0.36 4.88 -1.00 -1.47 -2.81 116.94 116.25 1yrl h PHE 355 Ca 0.39 0.00 0.10 0.00 2.81 0.00 0.00 57.97 61.27 1yrl h PHE 355 Cb 1.44 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.99 1yrl h PHE 355 CO -0.00 0.00 0.30 -0.44 -1.61 0.00 0.00 178.31 176.56 1yrl h ASP 356 N -1.00 0.00 -0.03 2.17 3.32 -0.65 -0.53 116.42 119.71 1yrl h ASP 356 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1yrl h ASP 356 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1yrl h ASP 356 CO 0.00 0.00 -0.11 0.29 -1.72 0.00 0.00 179.24 177.70 1yrl n LYS 357 N -4.12 1.95 -0.43 3.56 5.02 0.11 -3.88 118.16 120.38 1yrl n LYS 357 Ca 0.06 -1.64 0.06 0.00 -2.02 0.00 0.00 58.31 54.77 1yrl n LYS 357 Cb 0.48 -1.44 0.19 0.00 -0.02 0.00 0.00 35.03 34.24 1yrl n LYS 357 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yrl n GLY 358 N 1.30 4.86 0.42 0.72 0.00 -0.21 -0.78 105.19 111.49 1yrl n GLY 358 Ca 0.12 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 1yrl n GLY 358 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1yrl h VAL 359 N 0.75 0.00 -0.02 1.61 2.07 -1.68 1.29 116.25 120.28 1yrl h VAL 359 Ca 0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1yrl h VAL 359 Cb 1.18 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1yrl h VAL 359 CO 0.10 0.00 0.03 0.25 0.02 0.00 0.00 177.57 177.97 1yrl h LEU 360 N -0.03 0.00 -0.08 2.57 5.85 -0.85 0.39 115.31 123.16 1yrl h LEU 360 Ca 0.19 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 1yrl h LEU 360 Cb 0.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1yrl h LEU 360 CO -0.92 0.00 -0.38 0.24 -0.34 0.00 0.00 178.44 177.04 1yrl h MET 361 N 0.00 0.40 -0.38 1.25 2.86 0.13 -1.54 114.93 117.66 1yrl h MET 361 Ca 0.01 -0.32 0.01 0.00 -2.06 0.00 0.00 59.70 57.33 1yrl h MET 361 Cb 0.07 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 1yrl h MET 361 CO -0.00 0.96 0.25 0.82 1.06 0.00 0.00 176.91 180.00 1yrl h ILE 362 N -0.06 1.09 -1.00 -1.22 2.04 0.83 -1.98 117.51 117.22 1yrl h ILE 362 Ca -0.02 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.70 1yrl h ILE 362 Cb 1.03 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 1yrl h ILE 362 CO 0.08 0.09 0.65 0.00 0.00 0.00 0.00 178.15 178.97 1yrl h ALA 363 N 1.14 1.32 -0.82 1.87 0.00 -0.99 -1.09 119.26 120.70 1yrl h ALA 363 Ca 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1yrl h ALA 363 Cb -0.05 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.35 1yrl h ALA 363 CO -0.03 0.55 0.36 0.52 0.00 0.00 0.00 179.25 180.64 1yrl h MET 364 N 1.26 1.21 0.03 0.00 2.86 -0.68 -0.67 114.93 118.94 1yrl h MET 364 Ca 0.40 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1yrl h MET 364 Cb 0.00 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.46 1yrl h MET 364 CO -0.13 0.96 -0.01 0.28 1.06 0.00 0.00 176.91 179.07 1yrl h VAL 365 N 1.19 1.17 0.58 -2.22 2.07 -0.58 0.25 116.25 118.69 1yrl h VAL 365 Ca 0.28 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1yrl h VAL 365 Cb 0.18 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1yrl h VAL 365 CO -0.03 0.15 -0.51 0.50 0.02 0.00 0.00 177.57 177.71 1yrl h LYS 366 N -0.30 -1.03 -0.31 1.57 3.64 -1.11 0.33 116.57 119.38 1yrl h LYS 366 Ca -0.00 0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.52 1yrl h LYS 366 Cb 0.28 0.23 -0.07 0.00 -0.41 0.00 0.00 32.23 32.26 1yrl h LYS 366 CO 0.01 -0.68 -0.20 0.00 -2.27 0.00 0.00 179.45 176.30 1yrl h ALA 367 N -0.95 0.00 -0.67 5.00 0.00 -1.14 -0.38 119.26 121.12 1yrl h ALA 367 Ca -0.07 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1yrl h ALA 367 Cb 0.91 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1yrl h ALA 367 CO -0.03 -0.60 0.41 0.78 0.00 0.00 0.00 179.25 179.82 1yrl h GLY 368 N -0.17 0.97 0.76 0.00 0.00 -0.24 -0.62 103.07 103.76 1yrl h GLY 368 Ca 0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1yrl h GLY 368 CO -0.41 0.38 0.01 -2.08 0.00 0.00 0.00 176.54 174.44 1yrl h VAL 369 N 0.91 1.22 0.79 4.60 2.07 0.19 -1.79 116.25 124.24 1yrl h VAL 369 Ca 0.24 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1yrl h VAL 369 Cb -0.05 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1yrl h VAL 369 CO -0.05 0.18 -0.44 -0.33 0.02 0.00 0.00 177.57 176.96 1yrl h GLU 370 N -0.16 -1.09 -0.97 1.57 5.08 -0.97 0.32 114.58 118.35 1yrl h GLU 370 Ca 0.02 0.07 0.22 0.00 -1.00 0.00 0.00 59.36 58.67 1yrl h GLU 370 Cb 0.29 0.25 -0.08 0.00 0.50 0.00 0.00 28.75 29.70 1yrl h GLU 370 CO 0.00 -0.73 0.62 1.25 -1.00 0.00 0.00 179.01 179.16 1yrl h LEU 371 N -1.13 0.52 -0.09 1.33 5.85 -1.18 0.64 115.31 121.25 1yrl h LEU 371 Ca -0.11 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1yrl h LEU 371 Cb 0.89 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1yrl h LEU 371 CO 0.14 0.17 -0.19 0.00 -0.34 0.00 0.00 178.44 178.23 1yrl h ALA 372 N 1.62 0.15 0.29 1.25 0.00 -1.14 -1.50 119.26 119.92 1yrl h ALA 372 Ca 0.54 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1yrl h ALA 372 Cb 1.20 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1yrl h ALA 372 CO -0.26 0.08 -0.15 0.35 0.00 0.00 0.00 179.25 179.26 1yrl h PHE 373 N -0.17 -0.40 0.24 0.00 3.57 0.96 -2.10 116.94 119.04 1yrl h PHE 373 Ca 0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1yrl h PHE 373 Cb 0.77 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 1yrl h PHE 373 CO 0.11 -0.25 -0.45 0.93 -2.23 0.00 0.00 178.31 176.42 1yrl h GLU 374 N -0.41 -0.74 -0.60 1.11 5.08 0.15 -1.95 114.58 117.23 1yrl h GLU 374 Ca -0.03 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.54 1yrl h GLU 374 Cb 0.33 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1yrl h GLU 374 CO 0.05 -0.49 0.42 1.15 -1.00 0.00 0.00 179.01 179.14 1yrl h THR 375 N -0.77 0.73 -0.13 1.13 2.02 -1.22 -0.27 112.91 114.40 1yrl h THR 375 Ca -0.01 -0.03 -0.17 0.00 0.77 0.00 0.00 66.41 66.98 1yrl h THR 375 Cb 0.74 0.65 0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1yrl h THR 375 CO -0.19 0.01 -0.56 0.24 0.37 0.00 0.00 175.52 175.39 1yrl h MET 376 N 0.08 0.61 -0.35 6.66 2.86 -0.70 -3.05 114.93 121.04 1yrl h MET 376 Ca 0.29 -0.48 -0.07 0.00 -2.06 0.00 0.00 59.70 57.37 1yrl h MET 376 Cb 1.03 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.77 1yrl h MET 376 CO -0.02 1.11 -0.08 0.28 1.06 0.00 0.00 176.91 179.25 1yrl h VAL 377 N 0.26 1.23 0.00 -2.22 2.07 -0.43 -1.38 116.25 115.79 1yrl h VAL 377 Ca -0.03 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1yrl h VAL 377 Cb 1.20 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1yrl h VAL 377 CO 0.12 0.34 0.00 0.47 0.02 0.00 0.00 177.57 178.52 1yrl n ASP 378 N -4.21 0.00 -0.91 0.57 9.92 -0.26 -1.86 116.55 119.81 1yrl n ASP 378 Ca 0.01 0.22 0.07 0.00 -0.53 0.00 0.00 54.79 54.57 1yrl n ASP 378 Cb 0.31 -0.36 0.23 0.00 -0.64 0.00 0.00 41.12 40.66 1yrl n ASP 378 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1yrl n SER 379 N -1.36 3.64 0.00 -2.24 7.64 -0.57 -4.95 113.62 115.78 1yrl n SER 379 Ca 0.06 -2.50 0.00 0.00 1.01 0.00 0.00 58.87 57.44 1yrl n SER 379 Cb 0.14 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 1yrl n SER 379 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yrl n GLY 380 N 0.19 0.80 3.79 0.23 0.00 -0.78 -5.02 105.19 104.41 1yrl n GLY 380 Ca 0.18 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 1yrl n GLY 380 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yrl s ILE 381 N -2.00 4.75 0.47 -0.61 1.01 -0.89 -2.80 121.20 121.13 1yrl s ILE 381 Ca 0.00 -0.48 -0.23 0.00 0.00 0.00 0.00 60.65 59.94 1yrl s ILE 381 Cb 0.00 -3.20 -0.07 0.00 0.01 0.00 0.00 42.46 39.20 1yrl s ILE 381 CO 0.00 0.29 1.24 -0.63 0.00 0.00 0.00 174.94 175.84 1yrl s ILE 382 N -1.26 2.76 0.05 2.92 1.09 -1.25 -4.23 121.20 121.28 1yrl s ILE 382 Ca 0.25 0.59 -0.19 0.00 -1.10 0.00 0.00 60.65 60.20 1yrl s ILE 382 Cb -0.12 -3.31 -0.08 0.00 -1.06 0.00 0.00 42.46 37.89 1yrl s ILE 382 CO 0.17 0.01 1.30 -0.33 -0.10 0.00 0.00 174.94 175.98 1yrl h GLU 383 N 2.00 -0.45 -1.00 2.79 5.08 -1.97 0.13 114.58 121.17 1yrl h GLU 383 Ca -0.50 0.03 0.21 0.00 -1.00 0.00 0.00 59.36 58.10 1yrl h GLU 383 Cb 1.26 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 30.51 1yrl h GLU 383 CO 0.60 -0.30 0.62 1.05 -1.00 0.00 0.00 179.01 179.98 1yrl h GLU 384 N -0.46 0.62 -0.30 2.33 9.09 -1.93 0.27 114.58 124.20 1yrl h GLU 384 Ca -0.02 -0.04 0.01 0.00 0.05 0.00 0.00 59.36 59.36 1yrl h GLU 384 Cb 0.43 -0.14 -0.02 0.00 -1.65 0.00 0.00 28.75 27.38 1yrl h GLU 384 CO -0.10 0.41 0.19 1.03 0.05 0.00 0.00 179.01 180.58 1yrl h SER 385 N 0.63 0.32 -0.43 3.06 0.87 -1.74 -2.52 113.55 113.75 1yrl h SER 385 Ca 0.58 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 61.08 1yrl h SER 385 Cb 1.08 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 1yrl h SER 385 CO -0.35 0.24 0.09 0.00 -0.53 0.00 0.00 176.83 176.28 1yrl h ALA 386 N 1.12 1.23 0.00 6.23 0.00 0.15 -3.10 119.26 124.88 1yrl h ALA 386 Ca 0.11 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1yrl h ALA 386 Cb -0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1yrl h ALA 386 CO -0.03 0.53 -0.15 -0.92 0.00 0.00 0.00 179.25 178.68 1yrl h TYR 387 N 0.74 -0.38 0.00 0.00 3.20 -0.56 -0.53 116.97 119.44 1yrl h TYR 387 Ca 0.16 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1yrl h TYR 387 Cb 0.32 0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.76 1yrl h TYR 387 CO 0.02 -0.22 0.00 0.66 -1.64 0.00 0.00 178.16 176.98 1yrl n TYR 388 N -5.28 0.00 -0.24 -3.82 4.02 -1.05 -2.21 117.16 108.58 1yrl n TYR 388 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 1yrl n TYR 388 Cb 0.20 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 1yrl n TYR 388 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1yrl n GLU 389 N -1.11 -0.52 -0.20 -0.72 -0.58 -0.69 -4.34 120.64 112.48 1yrl n GLU 389 Ca 0.08 -0.45 0.01 0.00 -0.42 0.00 0.00 57.16 56.38 1yrl n GLU 389 Cb 0.06 -0.88 0.01 0.00 -0.57 0.00 0.00 31.44 30.07 1yrl n GLU 389 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1yrl n SER 390 N -0.03 0.44 0.01 1.62 3.41 -0.29 -4.21 113.62 114.57 1yrl n SER 390 Ca 0.00 -1.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.91 1yrl n SER 390 Cb 0.08 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1yrl n SER 390 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1yrl n LEU 391 N -0.20 -0.24 -0.17 1.04 7.94 -0.94 -4.57 117.00 119.88 1yrl n LEU 391 Ca 0.02 0.06 -0.02 0.00 -1.11 0.00 0.00 56.01 54.95 1yrl n LEU 391 Cb 0.56 0.62 0.06 0.00 0.53 0.00 0.00 43.42 45.19 1yrl n LEU 391 CO 0.00 -0.38 0.80 -0.74 -1.11 0.00 0.00 177.39 175.96 1yrl h HIS 392 N 0.00 -0.16 0.00 1.96 2.76 -1.70 -2.16 115.15 115.84 1yrl h HIS 392 Ca 0.00 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1yrl h HIS 392 Cb 0.00 0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.11 1yrl h HIS 392 CO 0.00 -0.18 -0.28 0.39 -1.30 0.00 0.00 177.93 176.56 1yrl n GLU 393 N -5.32 0.03 -0.34 5.26 1.02 -1.26 -4.11 120.64 115.92 1yrl n GLU 393 Ca 0.06 0.01 0.08 0.00 -0.02 0.00 0.00 57.16 57.30 1yrl n GLU 393 Cb 0.29 -1.52 0.25 0.00 -0.02 0.00 0.00 31.44 30.44 1yrl n GLU 393 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1yrl h LEU 394 N 0.00 0.79 -0.29 -4.62 5.85 -1.74 -2.09 115.31 113.21 1yrl h LEU 394 Ca 0.00 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1yrl h LEU 394 Cb 0.53 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1yrl h LEU 394 CO 0.00 0.37 0.11 -0.65 -0.34 0.00 0.00 178.44 177.93 1yrl h PRO 395 N 0.84 0.43 -0.87 5.25 0.11 -1.72 -1.93 132.00 134.13 1yrl h PRO 395 Ca 0.50 -0.08 0.08 0.00 0.11 0.00 0.00 66.00 66.62 1yrl h PRO 395 Cb 0.62 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 31.60 1yrl h PRO 395 CO -0.31 0.46 0.56 -0.07 -0.21 0.00 0.00 178.00 178.43 1yrl h LEU 396 N 0.32 0.80 -0.45 2.35 3.38 -1.64 -0.97 115.31 119.09 1yrl h LEU 396 Ca 0.10 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1yrl h LEU 396 Cb 0.19 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1yrl h LEU 396 CO -0.01 0.49 -0.69 0.40 0.09 0.00 0.00 178.44 178.72 1yrl h ILE 397 N 0.89 1.37 -0.21 1.22 2.04 -1.26 -3.05 117.51 118.51 1yrl h ILE 397 Ca 0.39 -2.46 -0.07 0.00 1.00 0.00 0.00 64.86 63.72 1yrl h ILE 397 Cb 0.34 2.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 1yrl h ILE 397 CO -0.16 0.68 -0.17 0.00 0.00 0.00 0.00 178.15 178.50 1yrl h ALA 398 N 1.31 1.32 -0.44 1.87 0.00 -0.38 -2.34 119.26 120.60 1yrl h ALA 398 Ca -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1yrl h ALA 398 Cb 1.32 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1yrl h ALA 398 CO 0.09 0.46 0.20 -0.91 0.00 0.00 0.00 179.25 179.09 1yrl h ASN 399 N 0.34 0.58 -0.51 0.00 2.35 -1.31 -2.50 115.58 114.53 1yrl h ASN 399 Ca 0.06 -0.14 0.07 0.00 -0.55 0.00 0.00 56.30 55.74 1yrl h ASN 399 Cb 0.50 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.66 1yrl h ASN 399 CO 0.03 0.55 0.19 0.74 -1.65 0.00 0.00 177.43 177.29 1yrl h THR 400 N 0.57 0.83 -0.51 2.81 2.02 -1.42 -1.12 112.91 116.10 1yrl h THR 400 Ca 0.15 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 1yrl h THR 400 Cb 0.13 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1yrl h THR 400 CO -0.02 0.07 0.19 0.40 0.37 0.00 0.00 175.52 176.53 1yrl h ILE 401 N 0.37 1.19 0.00 3.11 2.04 -1.25 -1.96 117.51 121.01 1yrl h ILE 401 Ca 0.24 -0.62 -0.08 0.00 1.00 0.00 0.00 64.86 65.41 1yrl h ILE 401 Cb 0.26 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1yrl h ILE 401 CO -0.24 0.24 -0.36 0.00 0.00 0.00 0.00 178.15 177.79 1yrl h ALA 402 N 1.49 1.01 -0.14 1.87 0.00 -0.89 0.16 119.26 122.76 1yrl h ALA 402 Ca 0.17 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 1yrl h ALA 402 Cb 0.17 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1yrl h ALA 402 CO -0.01 0.45 -0.62 -0.09 0.00 0.00 0.00 179.25 178.98 1yrl h ARG 403 N 0.00 0.66 -0.15 0.00 2.43 -0.47 -3.42 114.38 113.43 1yrl h ARG 403 Ca -0.00 -0.53 -0.25 0.00 -0.81 0.00 0.00 59.98 58.39 1yrl h ARG 403 Cb 0.87 0.11 -0.18 0.00 -0.42 0.00 0.00 29.97 30.35 1yrl h ARG 403 CO 0.05 1.15 -0.48 1.63 -1.51 0.00 0.00 179.97 180.81 1yrl n LYS 404 N -4.10 1.12 0.00 0.20 4.76 -1.03 -5.04 118.16 114.08 1yrl n LYS 404 Ca -0.08 -2.02 0.00 0.00 -2.87 0.00 0.00 58.31 53.34 1yrl n LYS 404 Cb 0.66 -0.54 0.00 0.00 -1.84 0.00 0.00 35.03 33.31 1yrl n LYS 404 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1yrl n ARG 405 N -0.19 0.00 0.20 1.97 5.12 0.56 -1.30 116.66 123.01 1yrl n ARG 405 Ca 0.02 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.98 1yrl n ARG 405 Cb 0.79 0.00 0.41 0.00 -1.16 0.00 0.00 32.46 32.49 1yrl n ARG 405 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1yrl h LEU 406 N 0.00 0.00 -0.31 0.55 3.38 -1.91 -3.04 115.31 113.98 1yrl h LEU 406 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1yrl h LEU 406 Cb 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 1yrl h LEU 406 CO 0.00 0.33 -0.27 0.22 0.09 0.00 0.00 178.44 178.80 1yrl h TYR 407 N 0.00 -0.73 -0.21 1.13 3.20 -1.92 0.35 116.97 118.79 1yrl h TYR 407 Ca -0.00 0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.95 1yrl h TYR 407 Cb 0.60 0.37 -0.03 0.00 1.54 0.00 0.00 36.73 39.21 1yrl h TYR 407 CO 0.00 -0.34 0.00 1.49 -1.64 0.00 0.00 178.16 177.67 1yrl h GLU 408 N -0.25 0.07 0.46 1.82 4.57 -1.07 -1.57 114.58 118.60 1yrl h GLU 408 Ca 0.16 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.32 1yrl h GLU 408 Cb 0.49 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 1yrl h GLU 408 CO -0.45 0.04 -0.38 1.98 -1.18 0.00 0.00 179.01 179.02 1yrl h MET 409 N 0.07 -0.79 0.00 1.92 4.05 -1.42 0.04 114.93 118.80 1yrl h MET 409 Ca 0.10 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 1yrl h MET 409 Cb 0.12 0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 1yrl h MET 409 CO -0.16 -0.53 0.10 0.09 0.23 0.00 0.00 176.91 176.64 1yrl n ASN 410 N -4.75 0.41 -0.03 1.39 3.02 0.05 -0.84 115.26 114.52 1yrl n ASN 410 Ca -0.10 0.65 -0.12 0.00 -0.03 0.00 0.00 54.58 54.98 1yrl n ASN 410 Cb 0.36 -0.68 -0.14 0.00 -0.61 0.00 0.00 39.78 38.72 1yrl n ASN 410 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1yrl n VAL 411 N -2.08 1.63 0.00 2.41 0.31 -0.60 -4.34 118.33 115.66 1yrl n VAL 411 Ca -0.01 -0.76 -0.17 0.00 -0.01 0.00 0.00 64.34 63.38 1yrl n VAL 411 Cb 0.13 -1.16 -0.13 0.00 -0.91 0.00 0.00 33.84 31.77 1yrl n VAL 411 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1yrl h VAL 412 N 0.02 1.54 -4.15 2.52 2.07 0.91 -3.46 116.25 115.69 1yrl h VAL 412 Ca -0.35 -2.22 -0.52 0.00 0.82 0.00 0.00 66.70 64.43 1yrl h VAL 412 Cb 2.04 2.94 0.12 0.00 -1.52 0.00 0.00 31.29 34.87 1yrl h VAL 412 CO 0.07 0.62 0.42 0.27 0.02 0.00 0.00 177.57 178.97 1yrl s ILE 413 N -2.82 2.71 1.21 4.57 -4.36 -0.53 -4.88 121.20 117.10 1yrl s ILE 413 Ca -0.15 0.38 -0.14 0.00 -0.26 0.00 0.00 60.65 60.48 1yrl s ILE 413 Cb 0.01 -3.00 0.29 0.00 1.25 0.00 0.00 42.46 41.01 1yrl s ILE 413 CO 0.78 -0.16 0.91 -1.54 0.24 0.00 0.00 174.94 175.17 1yrl n SER 414 N -2.17 -2.04 -0.01 4.36 3.41 -1.26 -4.64 113.62 111.26 1yrl n SER 414 Ca 0.13 -0.23 -0.06 0.00 -0.26 0.00 0.00 58.87 58.44 1yrl n SER 414 Cb 0.50 -1.21 0.13 0.00 -0.26 0.00 0.00 64.21 63.38 1yrl n SER 414 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1yrl h ASP 415 N -2.75 0.59 -0.13 4.04 3.32 -1.94 0.16 116.42 119.71 1yrl h ASP 415 Ca -0.63 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.17 1yrl h ASP 415 Cb 1.34 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 1yrl h ASP 415 CO 0.48 0.89 0.02 0.74 -1.72 0.00 0.00 179.24 179.65 1yrl h THR 416 N 0.48 1.22 -0.31 0.35 2.02 -1.99 0.91 112.91 115.60 1yrl h THR 416 Ca 0.05 -0.71 0.06 0.00 0.77 0.00 0.00 66.41 66.57 1yrl h THR 416 Cb 0.82 1.45 -0.05 0.00 -1.74 0.00 0.00 68.15 68.63 1yrl h THR 416 CO 0.07 0.21 -0.02 0.00 0.37 0.00 0.00 175.52 176.15 1yrl h ALA 417 N 0.79 0.26 0.28 6.16 0.00 -1.80 -0.91 119.26 124.04 1yrl h ALA 417 Ca 0.04 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1yrl h ALA 417 Cb 0.31 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1yrl h ALA 417 CO 0.00 -0.42 -0.14 1.49 0.00 0.00 0.00 179.25 180.19 1yrl h GLU 418 N 0.07 -0.36 -0.50 0.00 4.81 -0.50 -0.61 114.58 117.49 1yrl h GLU 418 Ca 0.15 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.50 1yrl h GLU 418 Cb 0.20 0.08 -0.10 0.00 0.63 0.00 0.00 28.75 29.57 1yrl h GLU 418 CO -0.26 -0.24 -0.18 -0.92 -0.73 0.00 0.00 179.01 176.68 1yrl h TYR 419 N -0.38 -0.43 -0.24 0.92 3.20 -0.53 -1.23 116.97 118.27 1yrl h TYR 419 Ca -0.04 0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.91 1yrl h TYR 419 Cb 0.29 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 1yrl h TYR 419 CO -0.06 -0.27 0.06 0.78 -1.64 0.00 0.00 178.16 177.04 1yrl h GLY 420 N -0.06 0.28 -0.10 1.82 0.00 -0.91 -1.88 103.07 102.22 1yrl h GLY 420 Ca 0.24 -0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.59 1yrl h GLY 420 CO -0.55 0.01 -0.41 -0.57 0.00 0.00 0.00 176.54 175.01 1yrl h ASN 421 N 0.16 -1.32 -0.30 0.19 -1.24 0.02 -2.07 115.58 111.02 1yrl h ASN 421 Ca 0.11 0.19 0.06 0.00 0.71 0.00 0.00 56.30 57.37 1yrl h ASN 421 Cb 0.10 0.56 -0.06 0.00 0.73 0.00 0.00 38.32 39.65 1yrl h ASN 421 CO -0.13 -0.40 -0.08 1.88 -1.29 0.00 0.00 177.43 177.41 1yrl h TYR 422 N -0.41 -0.16 -0.99 0.67 0.99 -1.12 0.20 116.97 116.14 1yrl h TYR 422 Ca 0.10 0.03 0.26 0.00 2.00 0.00 0.00 58.73 61.12 1yrl h TYR 422 Cb 0.60 0.12 -0.06 0.00 1.00 0.00 0.00 36.73 38.39 1yrl h TYR 422 CO -0.53 -0.13 0.67 1.25 -0.00 0.00 0.00 178.16 179.42 1yrl h LEU 423 N -0.00 0.25 0.04 3.88 5.85 -0.69 -0.97 115.31 123.66 1yrl h LEU 423 Ca 0.15 0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.73 1yrl h LEU 423 Cb 0.22 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1yrl h LEU 423 CO -0.31 0.07 -0.94 0.15 -0.34 0.00 0.00 178.44 177.07 1yrl h PHE 424 N 0.23 0.13 0.20 1.25 3.57 -0.62 -3.36 116.94 118.34 1yrl h PHE 424 Ca 0.51 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.92 1yrl h PHE 424 Cb 1.59 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 40.28 1yrl h PHE 424 CO -0.00 1.37 -0.45 0.77 -2.23 0.00 0.00 178.31 177.77 1yrl h SER 425 N -0.79 -1.30 0.05 0.41 0.02 0.29 0.62 113.55 112.85 1yrl h SER 425 Ca -0.23 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1yrl h SER 425 Cb 1.35 0.47 0.00 0.00 0.14 0.00 0.00 62.40 64.37 1yrl h SER 425 CO -0.07 -0.53 0.00 -1.22 -1.14 0.00 0.00 176.83 173.87 1yrl n TYR 426 N -5.49 0.25 -0.13 3.45 4.01 -0.46 -0.55 117.16 118.25 1yrl n TYR 426 Ca -0.08 0.13 -0.23 0.00 -0.16 0.00 0.00 57.90 57.55 1yrl n TYR 426 Cb 0.40 -0.70 -0.10 0.00 -0.31 0.00 0.00 39.34 38.62 1yrl n TYR 426 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1yrl n ALA 427 N -1.59 1.39 0.07 -0.72 0.00 -0.67 -4.38 120.51 114.62 1yrl n ALA 427 Ca -0.00 -1.03 -0.13 0.00 0.00 0.00 0.00 53.44 52.28 1yrl n ALA 427 Cb 0.03 0.08 -0.08 0.00 0.00 0.00 0.00 19.45 19.47 1yrl n ALA 427 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yrl h VAL 429 N -0.37 0.21 -0.42 0.00 2.07 -1.04 -0.11 116.25 116.58 1yrl h VAL 429 Ca -0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1yrl h VAL 429 Cb 0.31 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1yrl h VAL 429 CO 0.02 0.00 0.25 -0.65 0.02 0.00 0.00 177.57 177.21 1yrl h PRO 430 N -0.13 0.48 -0.86 1.57 0.11 -1.76 -2.95 132.00 128.47 1yrl h PRO 430 Ca 0.25 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 66.48 1yrl h PRO 430 Cb 0.54 -0.11 -0.10 0.00 0.11 0.00 0.00 31.00 31.44 1yrl h PRO 430 CO -0.68 0.32 0.45 1.25 -0.21 0.00 0.00 178.00 179.13 1yrl h LEU 431 N 0.50 0.55 -0.18 2.35 5.85 -0.77 -2.17 115.31 121.44 1yrl h LEU 431 Ca 0.17 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1yrl h LEU 431 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1yrl h LEU 431 CO -0.08 0.23 -0.07 0.18 -0.34 0.00 0.00 178.44 178.36 1yrl n LEU 432 N -4.86 0.35 -0.08 2.25 7.99 -0.62 -4.33 117.00 117.69 1yrl n LEU 432 Ca 0.18 0.05 -0.07 0.00 -0.01 0.00 0.00 56.01 56.15 1yrl n LEU 432 Cb 0.44 -0.17 -0.00 0.00 -0.11 0.00 0.00 43.42 43.58 1yrl n LEU 432 CO 0.21 0.06 0.74 0.50 -1.51 0.00 0.00 177.39 177.39 1yrl h LYS 433 N 0.44 -0.13 -0.62 3.23 3.64 -1.35 0.89 116.57 122.67 1yrl h LYS 433 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1yrl h LYS 433 Cb 0.30 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1yrl h LYS 433 CO 0.00 -0.09 0.40 -1.00 -2.27 0.00 0.00 179.45 176.49 1yrl h PRO 434 N -0.14 0.83 0.72 1.90 0.13 -1.80 -0.71 132.00 132.93 1yrl h PRO 434 Ca 0.16 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 1yrl h PRO 434 Cb 0.38 -0.18 0.01 0.00 0.13 0.00 0.00 31.00 31.34 1yrl h PRO 434 CO -0.40 0.56 -0.35 0.35 -0.23 0.00 0.00 178.00 177.94 1yrl h PHE 435 N 0.85 -0.90 -0.68 1.56 3.57 -1.45 -2.90 116.94 116.99 1yrl h PHE 435 Ca 0.23 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.82 1yrl h PHE 435 Cb -0.07 0.30 -0.08 0.00 2.79 0.00 0.00 35.95 38.89 1yrl h PHE 435 CO 0.00 -0.55 0.28 0.52 -2.23 0.00 0.00 178.31 176.33 1yrl h MET 436 N -1.00 0.45 -0.43 1.11 2.86 -0.66 -0.71 114.93 116.55 1yrl h MET 436 Ca -0.10 -0.03 0.12 0.00 -2.06 0.00 0.00 59.70 57.64 1yrl h MET 436 Cb 0.75 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 1yrl h MET 436 CO 0.16 0.30 0.39 0.00 1.06 0.00 0.00 176.91 178.82 1yrl h ALA 437 N 1.47 2.21 -0.52 6.32 0.00 -0.97 -1.16 119.26 126.60 1yrl h ALA 437 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1yrl h ALA 437 Cb 0.46 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1yrl h ALA 437 CO -0.33 -0.61 0.00 0.39 0.00 0.00 0.00 179.25 178.70 1yrl n GLU 438 N -3.95 3.20 -0.51 0.00 -0.58 -0.28 -5.02 120.64 113.50 1yrl n GLU 438 Ca 0.07 -2.60 -0.25 0.00 -0.42 0.00 0.00 57.16 53.97 1yrl n GLU 438 Cb 0.58 -1.65 0.19 0.00 -0.57 0.00 0.00 31.44 29.99 1yrl n GLU 438 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1yrl n LEU 439 N 0.79 -1.47 -4.21 -4.62 4.77 -0.44 -5.05 117.00 106.77 1yrl n LEU 439 Ca 0.21 -0.40 -0.12 0.00 -0.03 0.00 0.00 56.01 55.67 1yrl n LEU 439 Cb 0.71 -0.89 -0.10 0.00 -2.33 0.00 0.00 43.42 40.81 1yrl n LEU 439 CO 0.17 -3.46 -0.33 -1.10 -1.33 0.00 0.00 177.39 171.33 1yrl s GLN 440 N -3.80 1.01 0.21 3.23 -0.21 -1.26 -5.08 119.66 113.77 1yrl s GLN 440 Ca 0.49 -1.47 -0.31 0.00 0.02 0.00 0.00 55.36 54.09 1yrl s GLN 440 Cb -0.10 -0.14 -0.11 0.00 1.00 0.00 0.00 33.01 33.67 1yrl s GLN 440 CO 0.49 -0.14 1.57 -1.25 -2.12 0.00 0.00 175.29 173.84 1yrl s PRO 441 N -3.93 4.19 0.00 2.91 0.04 -1.26 -1.57 135.00 135.39 1yrl s PRO 441 Ca 0.21 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.68 1yrl s PRO 441 Cb 0.06 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.50 1yrl s PRO 441 CO 0.02 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1yrl n GLY 442 N 3.16 2.41 0.25 0.56 0.00 -1.26 -4.89 105.19 105.42 1yrl n GLY 442 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.23 1yrl n GLY 442 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yrl h ASP 443 N 0.46 0.00 -3.04 1.61 5.19 -1.58 -3.39 116.42 115.68 1yrl h ASP 443 Ca 0.00 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.45 1yrl h ASP 443 Cb 0.00 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 39.28 1yrl h ASP 443 CO 0.00 0.10 0.20 -0.22 -3.12 0.00 0.00 179.24 176.20 1yrl s LEU 444 N -8.22 -0.73 0.00 1.55 2.96 -1.26 -0.14 118.68 112.83 1yrl s LEU 444 Ca -0.04 1.22 0.00 0.00 -0.22 0.00 0.00 54.13 55.09 1yrl s LEU 444 Cb 0.15 2.15 0.00 0.00 0.50 0.00 0.00 46.19 48.99 1yrl s LEU 444 CO 0.64 -0.20 0.00 0.61 -1.32 0.00 0.00 176.35 176.08 1yrl n GLY 445 N 3.63 2.20 3.61 7.98 0.00 0.04 -4.97 105.19 117.67 1yrl n GLY 445 Ca -0.18 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 1yrl n GLY 445 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1yrl n LYS 446 N 0.00 -0.30 -4.72 1.61 4.81 -1.26 -4.67 118.16 113.64 1yrl n LYS 446 Ca 0.00 -2.41 -0.32 0.00 -0.87 0.00 0.00 58.31 54.71 1yrl n LYS 446 Cb 0.00 -0.75 -0.16 0.00 0.02 0.00 0.00 35.03 34.13 1yrl n LYS 446 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1yrl s ALA 447 N -3.32 2.26 -0.09 3.14 0.00 -1.25 -3.96 121.76 118.54 1yrl s ALA 447 Ca 0.63 -1.08 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 1yrl s ALA 447 Cb -0.03 -0.99 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 1yrl s ALA 447 CO 0.43 0.00 1.75 0.42 0.00 0.00 0.00 175.76 178.36 1yrl s ILE 448 N 0.76 3.46 0.28 0.00 1.01 -1.26 -4.88 121.20 120.58 1yrl s ILE 448 Ca -0.08 0.55 -0.29 0.00 0.00 0.00 0.00 60.65 60.82 1yrl s ILE 448 Cb -0.16 -3.40 -0.14 0.00 0.01 0.00 0.00 42.46 38.78 1yrl s ILE 448 CO -0.01 -0.10 1.16 -0.81 0.00 0.00 0.00 174.94 175.19 1yrl n PRO 449 N 7.45 1.65 -2.42 2.79 -0.04 -1.26 -4.69 135.00 138.48 1yrl n PRO 449 Ca 0.19 0.58 -0.43 0.00 -0.04 0.00 0.00 63.50 63.80 1yrl n PRO 449 Cb 0.43 -2.07 -0.02 0.00 -0.04 0.00 0.00 33.50 31.80 1yrl n PRO 449 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1yrl s GLU 450 N -1.33 4.27 0.00 0.54 8.01 -1.26 -4.79 118.70 124.14 1yrl s GLU 450 Ca 0.61 1.68 0.00 0.00 0.01 0.00 0.00 54.97 57.27 1yrl s GLU 450 Cb -0.67 -3.70 0.00 0.00 -4.31 0.00 0.00 34.13 25.45 1yrl s GLU 450 CO 0.58 -0.63 0.00 0.41 0.01 0.00 0.00 175.26 175.64 1yrl n GLY 451 N 3.55 3.56 3.85 -1.39 0.00 -1.26 -5.08 105.19 108.42 1yrl n GLY 451 Ca 0.13 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 1yrl n GLY 451 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yrl s ALA 452 N -1.25 3.06 0.21 4.61 0.00 -1.26 -4.60 121.76 122.53 1yrl s ALA 452 Ca 0.00 0.09 -0.05 0.00 0.00 0.00 0.00 51.96 52.00 1yrl s ALA 452 Cb 0.00 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 1yrl s ALA 452 CO 0.00 -0.43 0.24 0.14 0.00 0.00 0.00 175.76 175.71 1yrl s VAL 453 N -2.83 0.01 -0.31 0.00 -7.23 -1.26 -4.84 120.40 103.93 1yrl s VAL 453 Ca 0.58 -1.78 -0.29 0.00 -1.81 0.00 0.00 61.98 58.67 1yrl s VAL 453 Cb -0.11 -2.36 -0.01 0.00 0.56 0.00 0.00 36.38 34.46 1yrl s VAL 453 CO 0.40 -0.03 1.62 -0.62 -0.31 0.00 0.00 175.10 176.16 1yrl s ASP 454 N -3.10 6.19 0.23 4.85 2.15 -1.26 -4.90 116.67 120.83 1yrl s ASP 454 Ca 0.32 1.28 -0.15 0.00 0.43 0.00 0.00 52.55 54.43 1yrl s ASP 454 Cb 0.04 -2.53 0.28 0.00 -0.30 0.00 0.00 42.92 40.41 1yrl s ASP 454 CO 0.10 -1.47 1.51 0.59 -0.17 0.00 0.00 175.17 175.73 1yrl n ASN 455 N 9.23 -0.57 0.07 -0.34 5.03 -1.26 -0.38 115.26 127.03 1yrl n ASN 455 Ca 0.20 1.69 -0.12 0.00 0.87 0.00 0.00 54.58 57.22 1yrl n ASN 455 Cb 0.47 -0.41 -0.06 0.00 -1.02 0.00 0.00 39.78 38.75 1yrl n ASN 455 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1yrl h GLY 456 N 0.00 -0.12 1.02 7.41 0.00 -1.99 -0.63 103.07 108.75 1yrl h GLY 456 Ca 0.36 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.77 1yrl h GLY 456 CO -0.97 -0.08 0.51 -1.61 0.00 0.00 0.00 176.54 174.39 1yrl h GLN 457 N -0.15 1.19 0.40 4.80 4.15 -1.34 0.11 115.11 124.27 1yrl h GLN 457 Ca 0.02 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 1yrl h GLN 457 Cb 0.16 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.62 1yrl h GLN 457 CO -0.05 0.84 -0.19 1.25 -1.93 0.00 0.00 178.83 178.75 1yrl h LEU 458 N 1.20 -0.46 -0.62 -2.39 5.85 -0.52 -0.67 115.31 117.70 1yrl h LEU 458 Ca 0.31 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.10 1yrl h LEU 458 Cb -0.03 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 1yrl h LEU 458 CO -0.06 -0.28 0.26 -0.09 -0.34 0.00 0.00 178.44 177.93 1yrl h ARG 459 N -0.61 0.44 -0.52 1.25 2.43 -0.80 0.11 114.38 116.68 1yrl h ARG 459 Ca -0.06 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 58.98 1yrl h ARG 459 Cb 0.46 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1yrl h ARG 459 CO 0.09 0.29 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.31 1yrl h ASP 460 N 0.45 0.94 -0.29 -3.80 3.32 -0.64 -2.27 116.42 114.14 1yrl h ASP 460 Ca 0.31 -0.29 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1yrl h ASP 460 Cb 0.36 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1yrl h ASP 460 CO -0.29 1.05 -0.18 0.58 -1.72 0.00 0.00 179.24 178.68 1yrl h VAL 461 N 0.85 1.30 -0.39 -1.35 2.07 -0.49 0.12 116.25 118.36 1yrl h VAL 461 Ca 0.14 -1.31 0.07 0.00 0.82 0.00 0.00 66.70 66.42 1yrl h VAL 461 Cb 0.63 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.86 1yrl h VAL 461 CO 0.04 0.42 0.02 0.78 0.02 0.00 0.00 177.57 178.85 1yrl h ASN 462 N 0.37 -0.11 -0.04 0.57 -0.26 -0.71 0.34 115.58 115.74 1yrl h ASN 462 Ca 0.06 0.08 -0.12 0.00 -0.56 0.00 0.00 56.30 55.76 1yrl h ASN 462 Cb 0.72 0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 38.11 1yrl h ASN 462 CO 0.05 -0.02 -0.34 -0.33 -1.06 0.00 0.00 177.43 175.73 1yrl h GLU 463 N 0.13 0.52 -0.58 0.81 4.39 -1.31 -1.55 114.58 116.99 1yrl h GLU 463 Ca 0.19 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1yrl h GLU 463 Cb 0.26 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1yrl h GLU 463 CO -0.30 0.79 0.27 0.00 -1.16 0.00 0.00 179.01 178.61 1yrl h ALA 464 N 1.19 0.75 0.18 3.43 0.00 0.39 -0.62 119.26 124.58 1yrl h ALA 464 Ca 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1yrl h ALA 464 Cb 0.81 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1yrl h ALA 464 CO 0.07 0.33 -0.09 0.82 0.00 0.00 0.00 179.25 180.38 1yrl h ILE 465 N 0.79 0.91 -0.00 0.00 2.04 -0.10 -3.10 117.51 118.04 1yrl h ILE 465 Ca 0.20 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1yrl h ILE 465 Cb 0.14 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1yrl h ILE 465 CO -0.02 0.10 0.00 -2.11 0.00 0.00 0.00 178.15 176.12 1yrl n ARG 466 N -5.10 1.06 0.00 2.37 1.85 -0.61 -3.30 116.66 112.93 1yrl n ARG 466 Ca -0.09 -0.08 0.11 0.00 -1.00 0.00 0.00 57.85 56.79 1yrl n ARG 466 Cb 0.19 -1.45 0.03 0.00 -1.05 0.00 0.00 32.46 30.18 1yrl n ARG 466 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1yrl n SER 467 N -0.85 1.23 -4.76 2.89 2.88 -0.25 -4.59 113.62 110.17 1yrl n SER 467 Ca 0.21 -1.02 -0.39 0.00 -1.33 0.00 0.00 58.87 56.34 1yrl n SER 467 Cb 0.12 0.63 0.02 0.00 -0.75 0.00 0.00 64.21 64.23 1yrl n SER 467 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1yrl s HIS 468 N -2.79 2.51 0.21 0.66 5.65 -1.21 -4.83 115.29 115.50 1yrl s HIS 468 Ca 0.13 1.38 -0.12 0.00 0.25 0.00 0.00 55.06 56.70 1yrl s HIS 468 Cb 0.17 -3.75 0.28 0.00 -1.18 0.00 0.00 32.58 28.10 1yrl s HIS 468 CO 0.72 -2.56 1.65 0.00 -0.65 0.00 0.00 174.74 173.90 1yrl h ALA 469 N 1.98 0.55 0.00 1.58 0.00 -1.93 -0.61 119.26 120.83 1yrl h ALA 469 Ca -0.50 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1yrl h ALA 469 Cb 1.27 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1yrl h ALA 469 CO 0.60 -0.41 -0.18 0.97 0.00 0.00 0.00 179.25 180.22 1yrl h ILE 470 N 0.08 0.81 -0.00 0.00 2.10 -1.98 -0.65 117.51 117.87 1yrl h ILE 470 Ca 0.31 -0.72 -0.18 0.00 1.08 0.00 0.00 64.86 65.36 1yrl h ILE 470 Cb 0.51 1.43 -0.02 0.00 -1.09 0.00 0.00 36.82 37.64 1yrl h ILE 470 CO -0.56 0.18 -0.81 -0.33 -1.08 0.00 0.00 178.15 175.55 1yrl h GLU 471 N 0.00 0.08 0.50 2.19 4.39 -1.47 -0.97 114.58 119.30 1yrl h GLU 471 Ca -0.00 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 1yrl h GLU 471 Cb 0.41 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1yrl h GLU 471 CO 0.02 0.85 -0.24 1.96 -1.16 0.00 0.00 179.01 180.44 1yrl h GLN 472 N 0.05 -0.65 -0.59 2.33 1.08 -0.55 -2.28 115.11 114.48 1yrl h GLN 472 Ca -0.02 0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.31 1yrl h GLN 472 Cb 1.42 0.15 -0.07 0.00 -0.05 0.00 0.00 27.48 28.93 1yrl h GLN 472 CO 0.11 -0.41 0.22 0.28 -0.95 0.00 0.00 178.83 178.08 1yrl h VAL 473 N -1.16 0.79 0.08 -0.54 2.07 -1.25 -2.74 116.25 113.49 1yrl h VAL 473 Ca -0.07 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.33 1yrl h VAL 473 Cb 0.54 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 1yrl h VAL 473 CO 0.11 0.07 -0.50 1.23 0.02 0.00 0.00 177.57 178.51 1yrl h GLY 474 N 0.41 -1.04 0.03 2.17 0.00 -1.20 0.29 103.07 103.72 1yrl h GLY 474 Ca 0.30 0.61 0.23 0.00 0.00 0.00 0.00 47.33 48.46 1yrl h GLY 474 CO -0.29 -0.26 0.63 1.70 0.00 0.00 0.00 176.54 178.32 1yrl h LYS 475 N -0.70 0.48 0.16 4.80 3.64 -1.12 0.23 116.57 124.06 1yrl h LYS 475 Ca 0.01 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1yrl h LYS 475 Cb 0.73 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1yrl h LYS 475 CO -0.30 0.32 -0.07 -0.22 -2.27 0.00 0.00 179.45 176.90 1yrl h LYS 476 N 0.50 -0.20 -0.59 1.90 3.64 -1.05 -2.62 116.57 118.16 1yrl h LYS 476 Ca 0.57 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 1yrl h LYS 476 Cb 1.27 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.10 1yrl h LYS 476 CO -0.30 0.23 0.37 -0.07 -2.27 0.00 0.00 179.45 177.41 1yrl h LEU 477 N -0.76 0.69 -0.67 5.20 3.38 0.54 -0.62 115.31 123.07 1yrl h LEU 477 Ca -0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1yrl h LEU 477 Cb 0.52 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1yrl h LEU 477 CO 0.03 0.52 0.41 0.03 0.09 0.00 0.00 178.44 179.53 1yrl h ARG 478 N 0.79 0.91 -0.29 1.13 3.08 -0.69 -1.49 114.38 117.82 1yrl h ARG 478 Ca 0.21 -0.08 0.06 0.00 0.07 0.00 0.00 59.98 60.24 1yrl h ARG 478 Cb -0.06 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 29.74 1yrl h ARG 478 CO -0.04 0.64 -0.06 0.78 -1.07 0.00 0.00 179.97 180.22 1yrl h GLY 479 N 0.91 0.22 0.00 0.04 0.00 -0.95 0.27 103.07 103.56 1yrl h GLY 479 Ca 0.24 0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.67 1yrl h GLY 479 CO -0.05 -0.11 -0.31 -0.97 0.00 0.00 0.00 176.54 175.11 1yrl h TYR 480 N 0.01 -0.90 -0.80 5.60 0.99 -0.28 -1.79 116.97 119.79 1yrl h TYR 480 Ca 0.14 0.03 0.16 0.00 2.00 0.00 0.00 58.73 61.06 1yrl h TYR 480 Cb 0.21 0.39 -0.06 0.00 1.00 0.00 0.00 36.73 38.28 1yrl h TYR 480 CO -0.27 -0.33 0.53 0.52 -0.00 0.00 0.00 178.16 178.61 1yrl h MET 481 N -0.39 0.43 0.00 4.88 2.86 -1.00 0.59 114.93 122.31 1yrl h MET 481 Ca 0.01 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 1yrl h MET 481 Cb 0.41 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1yrl h MET 481 CO -0.20 0.29 -0.23 1.15 1.06 0.00 0.00 176.91 178.97 1yrl h THR 482 N 0.44 1.06 0.00 2.22 2.02 0.34 -2.06 112.91 116.94 1yrl h THR 482 Ca 0.40 -0.83 -0.11 0.00 0.77 0.00 0.00 66.41 66.65 1yrl h THR 482 Cb 0.90 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.75 1yrl h THR 482 CO -0.14 0.23 -1.26 0.47 0.37 0.00 0.00 175.52 175.19 1yrl n ASP 483 N -4.11 0.87 0.17 4.18 8.00 0.09 -2.51 116.55 123.23 1yrl n ASP 483 Ca -0.02 0.36 0.02 0.00 0.71 0.00 0.00 54.79 55.86 1yrl n ASP 483 Cb 0.30 0.25 0.28 0.00 -0.02 0.00 0.00 41.12 41.92 1yrl n ASP 483 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1yrl h MET 484 N 0.00 0.00 0.07 -1.24 2.86 -0.89 -2.64 114.93 113.10 1yrl h MET 484 Ca -0.10 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.28 1yrl h MET 484 Cb 1.38 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.02 1yrl h MET 484 CO 0.03 0.48 -1.22 -0.22 1.06 0.00 0.00 176.91 177.03 1yrl h LYS 485 N 0.00 0.15 0.00 1.72 3.64 -1.40 -3.20 116.57 117.49 1yrl h LYS 485 Ca -0.00 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 1yrl h LYS 485 Cb 0.93 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1yrl h LYS 485 CO 0.06 1.08 -0.04 -0.09 -2.27 0.00 0.00 179.45 178.19 1yrl h ARG 486 N 0.04 0.00 -3.90 1.90 2.43 -1.17 -3.23 114.38 110.45 1yrl h ARG 486 Ca -0.11 0.00 -0.72 0.00 -0.81 0.00 0.00 59.98 58.34 1yrl h ARG 486 Cb 1.91 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.40 1yrl h ARG 486 CO 0.16 0.04 3.01 -0.89 -1.51 0.00 0.00 179.97 180.79 1yrl n ILE 487 N -3.67 3.60 0.00 1.20 5.41 -1.10 -5.09 119.36 119.71 1yrl n ILE 487 Ca -0.03 -3.18 0.00 0.00 1.00 0.00 0.00 62.75 60.54 1yrl n ILE 487 Cb 0.14 -2.58 0.00 0.00 -0.71 0.00 0.00 39.64 36.49 1yrl n ILE 487 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55