#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3led s PHE -2 N 0.00 1.69 -0.44 2.98 0.08 -1.26 -5.10 117.98 115.93 3led s PHE -2 Ca 0.00 -0.39 -0.23 0.00 0.12 0.00 0.00 56.93 56.43 3led s PHE -2 Cb 0.00 -0.97 0.02 0.00 -0.57 0.00 0.00 43.02 41.50 3led s PHE -2 CO 0.00 0.12 0.77 -1.14 -0.10 0.00 0.00 175.22 174.87 3led s GLN -1 N -1.46 3.45 0.12 0.44 0.74 -1.26 -5.03 119.66 116.66 3led s GLN -1 Ca 0.06 -0.07 -0.11 0.00 0.05 0.00 0.00 55.36 55.29 3led s GLN -1 Cb -0.09 -3.92 -0.06 0.00 1.10 0.00 0.00 33.01 30.04 3led s GLN -1 CO 0.03 -1.07 0.46 0.20 -0.55 0.00 0.00 175.29 174.36 3led s GLY 0 N 2.08 2.37 0.06 2.59 0.00 -1.26 -5.04 107.32 108.12 3led s GLY 0 Ca 0.29 -0.30 -0.31 0.00 0.00 0.00 0.00 44.72 44.41 3led s GLY 0 CO 0.22 -0.08 1.76 0.14 0.00 0.00 0.00 173.10 175.13 3led s VAL 1 N -1.48 2.96 -0.33 1.40 1.01 -1.26 -4.90 120.40 117.80 3led s VAL 1 Ca 0.36 0.31 -0.21 0.00 0.00 0.00 0.00 61.98 62.44 3led s VAL 1 Cb -0.14 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 33.04 3led s VAL 1 CO 0.19 -0.01 0.67 -0.13 0.00 0.00 0.00 175.10 175.82 3led s ARG 2 N 3.17 3.81 0.74 2.72 0.52 -0.62 -5.05 118.95 124.24 3led s ARG 2 Ca 0.78 0.24 -0.15 0.00 -0.52 0.00 0.00 55.73 56.08 3led s ARG 2 Cb -0.41 -3.77 0.03 0.00 0.52 0.00 0.00 34.95 31.32 3led s ARG 2 CO 0.35 -0.68 1.10 -2.30 0.02 0.00 0.00 175.30 173.79 3led n PRO 3 N 6.04 0.50 -4.40 3.54 -0.02 -1.26 -3.73 135.00 135.66 3led n PRO 3 Ca -0.00 0.23 -0.24 0.00 -2.02 0.00 0.00 63.50 61.47 3led n PRO 3 Cb 0.49 -2.35 -0.09 0.00 -0.02 0.00 0.00 33.50 31.53 3led n PRO 3 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3led s ALA 4 N -1.85 2.93 -0.02 3.55 0.00 -1.26 -1.14 121.76 123.97 3led s ALA 4 Ca 0.75 -1.81 0.02 0.00 0.00 0.00 0.00 51.96 50.91 3led s ALA 4 Cb -0.33 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.35 3led s ALA 4 CO 0.49 0.25 -0.06 0.08 0.00 0.00 0.00 175.76 176.53 3led s VAL 5 N -2.45 0.51 -0.53 0.00 1.01 0.16 -1.25 120.40 117.85 3led s VAL 5 Ca 0.31 -0.21 -0.28 0.00 0.00 0.00 0.00 61.98 61.80 3led s VAL 5 Cb -0.05 -0.48 0.03 0.00 0.00 0.00 0.00 36.38 35.88 3led s VAL 5 CO 0.17 0.18 1.16 -0.63 0.00 0.00 0.00 175.10 175.98 3led s ILE 6 N 0.29 4.11 -0.11 2.22 1.01 0.43 -1.16 121.20 127.99 3led s ILE 6 Ca -0.03 1.04 0.16 0.00 0.00 0.00 0.00 60.65 61.81 3led s ILE 6 Cb -0.08 -4.67 -0.13 0.00 0.01 0.00 0.00 42.46 37.60 3led s ILE 6 CO -0.00 -1.19 0.87 0.00 0.00 0.00 0.00 174.94 174.62 3led h ALA 7 N 9.40 0.66 -2.39 9.38 0.00 -1.11 -1.61 119.26 133.58 3led h ALA 7 Ca -0.24 -0.88 0.05 0.00 0.00 0.00 0.00 54.91 53.84 3led h ALA 7 Cb 1.06 0.26 -0.15 0.00 0.00 0.00 0.00 17.79 18.96 3led h ALA 7 CO 1.16 0.98 0.39 0.00 0.00 0.00 0.00 179.25 181.77 3led s ALA 8 N -2.88 -1.76 0.16 0.00 0.00 -1.22 -4.68 121.76 111.37 3led s ALA 8 Ca -0.02 0.95 0.02 0.00 0.00 0.00 0.00 51.96 52.90 3led s ALA 8 Cb 0.09 0.41 -0.05 0.00 0.00 0.00 0.00 23.12 23.57 3led s ALA 8 CO 0.81 -0.65 -0.01 0.95 0.00 0.00 0.00 175.76 176.87 3led s THR 9 N -2.94 0.65 0.07 0.00 -4.23 -1.26 -0.79 115.64 107.15 3led s THR 9 Ca 0.02 -1.97 -0.05 0.00 -1.18 0.00 0.00 61.69 58.50 3led s THR 9 Cb -0.01 -2.05 -0.02 0.00 1.34 0.00 0.00 72.50 71.76 3led s THR 9 CO -0.07 -0.53 0.10 -0.83 -0.54 0.00 0.00 174.62 172.74 3led s GLY 10 N -3.15 0.26 -0.10 3.99 0.00 -0.34 -3.89 107.32 104.09 3led s GLY 10 Ca 0.22 -0.87 -0.06 0.00 0.00 0.00 0.00 44.72 44.01 3led s GLY 10 CO 0.03 -1.03 0.24 -2.27 0.00 0.00 0.00 173.10 170.07 3led s LEU 11 N -2.89 0.54 -0.18 0.66 2.96 -1.26 -0.82 118.68 117.69 3led s LEU 11 Ca 0.06 0.51 -0.00 0.00 -0.22 0.00 0.00 54.13 54.48 3led s LEU 11 Cb 0.06 0.74 0.01 0.00 0.50 0.00 0.00 46.19 47.51 3led s LEU 11 CO -0.11 -0.15 -0.16 -0.47 -1.32 0.00 0.00 176.35 174.14 3led s TYR 12 N 1.05 2.81 -0.20 5.38 5.04 0.47 -4.61 117.35 127.28 3led s TYR 12 Ca -0.08 -1.39 -0.04 0.00 -2.44 0.00 0.00 57.07 53.13 3led s TYR 12 Cb -0.09 -1.95 -0.01 0.00 0.35 0.00 0.00 41.96 40.26 3led s TYR 12 CO -0.07 -0.69 -0.04 0.99 -1.34 0.00 0.00 175.55 174.40 3led s THR 13 N 1.23 3.51 0.72 4.34 2.01 -1.26 -1.83 115.64 124.35 3led s THR 13 Ca 0.03 -0.46 -0.16 0.00 0.31 0.00 0.00 61.69 61.41 3led s THR 13 Cb -0.14 -2.58 0.02 0.00 0.01 0.00 0.00 72.50 69.81 3led s THR 13 CO -0.08 0.44 1.16 -2.65 -0.69 0.00 0.00 174.62 172.80 3led n PRO 14 N 4.48 0.65 0.20 4.92 -0.02 -1.26 -4.91 135.00 139.05 3led n PRO 14 Ca -0.18 0.28 0.08 0.00 -2.02 0.00 0.00 63.50 61.67 3led n PRO 14 Cb 0.51 -2.40 0.31 0.00 -0.02 0.00 0.00 33.50 31.90 3led n PRO 14 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3led h PRO 15 N -0.13 0.00 -5.62 0.52 0.13 -1.97 -3.45 132.00 121.47 3led h PRO 15 Ca -0.48 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.99 3led h PRO 15 Cb 1.33 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.34 3led h PRO 15 CO 0.49 0.27 -0.53 -0.51 -0.23 0.00 0.00 178.00 177.48 3led s ASP 16 N -6.25 5.93 0.18 1.44 1.01 -1.26 -5.05 116.67 112.66 3led s ASP 16 Ca 0.02 0.29 0.09 0.00 0.71 0.00 0.00 52.55 53.66 3led s ASP 16 Cb 0.09 -1.90 -0.04 0.00 1.01 0.00 0.00 42.92 42.08 3led s ASP 16 CO 0.67 0.33 -0.08 -0.44 0.21 0.00 0.00 175.17 175.86 3led s SER 17 N -0.59 4.32 -0.30 0.27 0.01 -1.26 -1.52 113.70 114.63 3led s SER 17 Ca 0.12 -0.55 -0.01 0.00 1.31 0.00 0.00 55.95 56.82 3led s SER 17 Cb -0.12 -0.76 0.05 0.00 0.21 0.00 0.00 66.02 65.40 3led s SER 17 CO 0.02 0.10 -0.01 -0.69 0.41 0.00 0.00 173.24 173.08 3led s VAL 18 N -1.69 2.89 0.80 3.43 1.01 0.23 -4.93 120.40 122.14 3led s VAL 18 Ca 0.25 -1.45 -0.11 0.00 0.00 0.00 0.00 61.98 60.67 3led s VAL 18 Cb -0.09 -2.68 0.08 0.00 0.00 0.00 0.00 36.38 33.69 3led s VAL 18 CO 0.16 -0.12 1.09 -0.94 0.00 0.00 0.00 175.10 175.29 3led s SER 19 N 1.25 4.22 0.27 3.32 1.04 -1.26 -2.30 113.70 120.24 3led s SER 19 Ca -0.05 1.76 0.01 0.00 0.48 0.00 0.00 55.95 58.15 3led s SER 19 Cb -0.20 -2.44 0.56 0.00 0.10 0.00 0.00 66.02 64.04 3led s SER 19 CO -0.02 -2.21 1.80 0.78 0.98 0.00 0.00 173.24 174.57 3led h ASN 20 N -1.25 0.74 -0.62 7.02 2.35 -1.64 -0.44 115.58 121.75 3led h ASN 20 Ca -0.45 0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.38 3led h ASN 20 Cb 1.24 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.51 3led h ASN 20 CO 0.52 0.35 0.40 0.00 -1.65 0.00 0.00 177.43 177.05 3led h ALA 21 N 1.55 0.79 -0.53 -0.83 0.00 -1.91 0.49 119.26 118.82 3led h ALA 21 Ca 0.49 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.28 3led h ALA 21 Cb 0.60 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3led h ALA 21 CO -0.31 0.20 0.03 0.93 0.00 0.00 0.00 179.25 180.09 3led h GLU 22 N 0.82 0.91 -0.27 0.00 5.08 -1.73 -1.30 114.58 118.09 3led h GLU 22 Ca 0.23 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3led h GLU 22 Cb -0.08 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3led h GLU 22 CO -0.06 0.92 0.16 1.25 -1.00 0.00 0.00 179.01 180.27 3led h LEU 23 N 0.79 0.33 -0.90 1.33 5.85 -0.72 -2.76 115.31 119.24 3led h LEU 23 Ca 0.15 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 3led h LEU 23 Cb 0.48 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3led h LEU 23 CO 0.02 0.31 -0.23 0.58 -0.34 0.00 0.00 178.44 178.77 3led h VAL 24 N 0.34 1.26 -0.39 1.05 2.07 -0.85 -0.92 116.25 118.81 3led h VAL 24 Ca 0.10 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 3led h VAL 24 Cb 0.04 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3led h VAL 24 CO -0.02 0.41 0.17 -0.08 0.02 0.00 0.00 177.57 178.07 3led h GLU 25 N 0.48 0.57 -0.24 1.57 4.81 -1.11 0.15 114.58 120.81 3led h GLU 25 Ca 0.07 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3led h GLU 25 Cb 0.67 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3led h GLU 25 CO 0.05 0.52 -0.06 0.00 -0.73 0.00 0.00 179.01 178.79 3led h ALA 26 N 1.02 0.32 -0.64 2.92 0.00 -1.31 -2.27 119.26 119.31 3led h ALA 26 Ca 0.13 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3led h ALA 26 Cb 0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3led h ALA 26 CO -0.01 0.12 0.40 0.35 0.00 0.00 0.00 179.25 180.11 3led h PHE 27 N 0.19 0.75 0.00 0.00 3.57 -0.98 -0.67 116.94 119.81 3led h PHE 27 Ca 0.06 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 3led h PHE 27 Cb 0.52 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3led h PHE 27 CO 0.05 0.44 -0.47 -0.91 -2.23 0.00 0.00 178.31 175.19 3led h ASN 28 N 0.79 0.00 -0.28 0.41 2.35 -0.66 -0.01 115.58 118.19 3led h ASN 28 Ca 0.25 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.84 3led h ASN 28 Cb -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3led h ASN 28 CO -0.09 0.47 -0.47 0.74 -1.65 0.00 0.00 177.43 176.43 3led h THR 29 N 0.00 1.29 -0.59 2.81 2.02 -1.09 -0.59 112.91 116.76 3led h THR 29 Ca -0.00 -1.66 0.07 0.00 0.77 0.00 0.00 66.41 65.58 3led h THR 29 Cb 0.94 1.66 -0.06 0.00 -1.74 0.00 0.00 68.15 68.95 3led h THR 29 CO 0.06 0.54 0.27 0.22 0.37 0.00 0.00 175.52 176.98 3led h TYR 30 N 0.56 0.49 0.05 3.16 3.20 -0.65 -0.14 116.97 123.64 3led h TYR 30 Ca 0.02 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 3led h TYR 30 Cb 1.07 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.21 3led h TYR 30 CO 0.08 0.20 -0.02 0.28 -1.64 0.00 0.00 178.16 177.06 3led h VAL 31 N 0.51 1.02 -0.81 1.81 2.07 -0.88 -0.23 116.25 119.74 3led h VAL 31 Ca 0.27 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 3led h VAL 31 Cb 0.24 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3led h VAL 31 CO -0.22 0.06 0.46 0.00 0.02 0.00 0.00 177.57 177.88 3led h ALA 32 N 0.79 1.03 -0.59 1.67 0.00 -0.87 -0.06 119.26 121.23 3led h ALA 32 Ca -0.01 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3led h ALA 32 Cb 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3led h ALA 32 CO 0.01 0.53 0.02 -0.91 0.00 0.00 0.00 179.25 178.90 3led h ASN 33 N 1.11 0.99 -0.32 0.00 2.35 -0.90 -2.01 115.58 116.81 3led h ASN 33 Ca 0.29 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3led h ASN 33 Cb 0.01 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 3led h ASN 33 CO -0.05 1.05 0.17 0.15 -1.65 0.00 0.00 177.43 177.09 3led h PHE 34 N 0.91 0.45 -0.61 1.19 3.57 -0.63 -0.41 116.94 121.41 3led h PHE 34 Ca 0.17 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 3led h PHE 34 Cb 0.52 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 3led h PHE 34 CO 0.04 0.38 0.25 -0.91 -2.23 0.00 0.00 178.31 175.84 3led h ASN 35 N 0.39 0.80 -0.27 0.41 2.35 -0.89 -0.38 115.58 117.99 3led h ASN 35 Ca 0.11 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 3led h ASN 35 Cb 0.09 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3led h ASN 35 CO -0.02 0.72 -0.08 0.00 -1.65 0.00 0.00 177.43 176.40 3led h ALA 36 N 1.40 0.38 -0.06 -0.83 0.00 -1.19 -2.23 119.26 116.72 3led h ALA 36 Ca 0.21 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3led h ALA 36 Cb 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3led h ALA 36 CO -0.02 0.20 -0.19 0.00 0.00 0.00 0.00 179.25 179.24 3led h ALA 37 N 0.77 1.56 -0.45 0.00 0.00 -0.61 -2.75 119.26 117.78 3led h ALA 37 Ca 0.07 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 3led h ALA 37 Cb 0.56 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3led h ALA 37 CO 0.03 0.32 0.07 0.09 0.00 0.00 0.00 179.25 179.76 3led n ASN 38 N -4.26 4.15 -0.24 0.00 3.02 -0.19 -4.73 115.26 112.99 3led n ASN 38 Ca -0.02 -3.19 0.03 0.00 -0.03 0.00 0.00 54.58 51.38 3led n ASN 38 Cb 0.28 -0.63 0.16 0.00 -0.61 0.00 0.00 39.78 38.98 3led n ASN 38 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3led h LYS 39 N 2.16 0.46 -0.49 3.52 3.64 -1.09 -1.08 116.57 123.69 3led h LYS 39 Ca 0.11 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 3led h LYS 39 Cb 1.80 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.50 3led h LYS 39 CO 0.43 0.30 -0.15 0.00 -2.27 0.00 0.00 179.45 177.77 3led h ALA 40 N 1.49 0.68 -0.77 5.00 0.00 -1.86 0.14 119.26 123.94 3led h ALA 40 Ca 0.38 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3led h ALA 40 Cb 0.52 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3led h ALA 40 CO -0.35 0.62 0.51 0.00 0.00 0.00 0.00 179.25 180.02 3led h ARG 41 N 0.82 1.02 -0.26 0.00 3.08 -1.81 -0.38 114.38 116.85 3led h ARG 41 Ca 0.12 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 3led h ARG 41 Cb 0.71 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3led h ARG 41 CO 0.05 0.67 0.02 0.82 -1.07 0.00 0.00 179.97 180.47 3led h ILE 42 N 1.05 1.24 0.00 2.04 2.04 -1.01 -0.36 117.51 122.51 3led h ILE 42 Ca 0.28 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3led h ILE 42 Cb -0.12 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3led h ILE 42 CO -0.06 0.27 0.00 -0.33 0.00 0.00 0.00 178.15 178.03 3led h GLU 43 N 0.24 0.00 -0.01 2.37 5.08 -0.69 -1.19 114.58 120.38 3led h GLU 43 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3led h GLU 43 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3led h GLU 43 CO 0.01 0.00 -0.10 0.00 -1.00 0.00 0.00 179.01 177.92 3led n ALA 44 N -2.04 2.77 -1.09 3.43 0.00 -0.18 -4.94 120.51 118.46 3led n ALA 44 Ca 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 53.44 52.96 3led n ALA 44 Cb 0.25 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 3led n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3led n GLY 45 N 1.25 0.61 0.20 0.00 0.00 -0.45 -4.92 105.19 101.88 3led n GLY 45 Ca 0.16 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 3led n GLY 45 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3led h GLU 46 N 0.28 0.54 -4.56 1.61 5.08 -1.28 -3.45 114.58 112.80 3led h GLU 46 Ca -0.06 -0.41 -0.21 0.00 -1.00 0.00 0.00 59.36 57.68 3led h GLU 46 Cb 0.27 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.45 3led h GLU 46 CO 0.09 1.03 -0.67 0.96 -1.00 0.00 0.00 179.01 179.41 3led s ILE 47 N -3.77 0.47 0.43 3.13 -4.36 -1.22 -5.03 121.20 110.84 3led s ILE 47 Ca -0.07 -1.92 -0.13 0.00 -0.26 0.00 0.00 60.65 58.27 3led s ILE 47 Cb 0.10 -1.85 -0.07 0.00 1.25 0.00 0.00 42.46 41.89 3led s ILE 47 CO 0.85 -0.70 0.84 -1.61 0.24 0.00 0.00 174.94 174.56 3led s GLU 48 N -3.92 3.88 0.65 0.37 2.02 -1.26 -4.35 118.70 116.09 3led s GLU 48 Ca 0.17 0.67 -0.16 0.00 0.02 0.00 0.00 54.97 55.67 3led s GLU 48 Cb 0.07 -2.31 -0.01 0.00 0.10 0.00 0.00 34.13 31.98 3led s GLU 48 CO -0.02 -0.08 1.13 -1.25 0.02 0.00 0.00 175.26 175.06 3led s PRO 49 N -3.77 2.80 0.46 0.39 0.04 -1.26 -4.97 135.00 128.68 3led s PRO 49 Ca 0.54 1.50 -0.22 0.00 0.04 0.00 0.00 61.00 62.86 3led s PRO 49 Cb -0.10 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 3led s PRO 49 CO 0.29 -1.27 1.09 -0.51 0.04 0.00 0.00 177.00 176.64 3led s LEU 50 N -4.70 3.98 -0.10 -3.56 1.43 -1.26 -5.05 118.68 109.41 3led s LEU 50 Ca 0.69 2.10 -0.05 0.00 -1.03 0.00 0.00 54.13 55.84 3led s LEU 50 Cb -0.23 -4.35 -0.04 0.00 0.03 0.00 0.00 46.19 41.61 3led s LEU 50 CO 0.39 -0.78 0.12 -1.10 0.23 0.00 0.00 176.35 175.21 3led s GLN 51 N -2.84 3.34 0.78 1.70 -1.52 -1.26 -4.95 119.66 114.91 3led s GLN 51 Ca 0.64 -0.21 -0.12 0.00 -1.95 0.00 0.00 55.36 53.71 3led s GLN 51 Cb -0.23 -3.09 0.07 0.00 -0.22 0.00 0.00 33.01 29.54 3led s GLN 51 CO 0.27 0.75 1.13 -1.25 -0.25 0.00 0.00 175.29 175.94 3led s PRO 52 N -1.12 2.01 0.67 2.91 0.04 -1.26 -5.00 135.00 133.25 3led s PRO 52 Ca 0.16 1.41 0.02 0.00 0.04 0.00 0.00 61.00 62.63 3led s PRO 52 Cb -0.12 -1.85 0.11 0.00 0.04 0.00 0.00 34.50 32.68 3led s PRO 52 CO 0.06 -1.86 0.92 0.45 0.04 0.00 0.00 177.00 176.60 3led s SER 53 N -2.83 4.62 0.06 6.66 0.15 -1.26 -5.09 113.70 116.01 3led s SER 53 Ca 0.66 -0.48 -0.22 0.00 0.70 0.00 0.00 55.95 56.61 3led s SER 53 Cb -0.21 0.02 0.05 0.00 -1.71 0.00 0.00 66.02 64.17 3led s SER 53 CO 0.52 -1.66 0.51 -0.94 1.20 0.00 0.00 173.24 172.87 3led s SER 54 N -4.69 -0.42 0.30 5.45 1.04 -1.26 -4.95 113.70 109.16 3led s SER 54 Ca 0.64 0.11 -0.01 0.00 0.48 0.00 0.00 55.95 57.17 3led s SER 54 Cb -0.06 0.50 0.46 0.00 0.10 0.00 0.00 66.02 67.02 3led s SER 54 CO 0.42 -0.75 1.94 0.28 0.98 0.00 0.00 173.24 176.12 3led h SER 55 N 2.69 0.89 -0.32 7.02 0.02 -1.98 -1.96 113.55 119.90 3led h SER 55 Ca -0.31 -0.05 0.04 0.00 -0.84 0.00 0.00 61.79 60.62 3led h SER 55 Cb 1.22 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.50 3led h SER 55 CO 0.42 0.69 0.11 -0.08 -1.14 0.00 0.00 176.83 176.82 3led h GLU 56 N 1.02 0.24 -0.46 3.45 4.81 -1.99 -0.75 114.58 120.90 3led h GLU 56 Ca 0.27 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.49 3led h GLU 56 Cb -0.03 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3led h GLU 56 CO -0.05 0.16 0.30 0.35 -0.73 0.00 0.00 179.01 179.04 3led h PHE 57 N 0.25 0.57 -0.08 0.92 3.57 -1.88 -0.88 116.94 119.41 3led h PHE 57 Ca 0.15 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 3led h PHE 57 Cb 0.12 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 3led h PHE 57 CO -0.14 0.36 0.02 0.82 -2.23 0.00 0.00 178.31 177.14 3led h ILE 58 N 0.61 1.18 -0.69 1.41 2.04 -1.06 -1.04 117.51 119.96 3led h ILE 58 Ca 0.17 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 3led h ILE 58 Cb -0.06 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 3led h ILE 58 CO -0.04 0.15 0.28 -0.33 0.00 0.00 0.00 178.15 178.21 3led h GLU 59 N -0.06 1.02 -0.68 2.37 5.08 -1.04 -1.80 114.58 119.46 3led h GLU 59 Ca 0.03 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 3led h GLU 59 Cb 0.22 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3led h GLU 59 CO -0.00 0.83 0.17 -0.22 -1.00 0.00 0.00 179.01 178.78 3led h LYS 60 N 1.00 1.09 0.00 2.33 3.11 -1.00 0.54 116.57 123.64 3led h LYS 60 Ca 0.24 -0.26 -0.07 0.00 -2.81 0.00 0.00 60.65 57.75 3led h LYS 60 Cb 0.18 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.26 3led h LYS 60 CO -0.02 0.97 -0.31 0.00 -2.81 0.00 0.00 179.45 177.28 3led h ALA 61 N 1.07 1.10 0.00 5.00 0.00 -0.83 -3.42 119.26 122.18 3led h ALA 61 Ca 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3led h ALA 61 Cb 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3led h ALA 61 CO 0.00 0.39 0.00 -1.13 0.00 0.00 0.00 179.25 178.51 3led n SER 62 N -3.60 0.00 0.00 0.00 3.41 -0.71 -4.86 113.62 107.86 3led n SER 62 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3led n SER 62 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3led n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3led n GLY 63 N 0.01 0.89 3.73 5.00 0.00 0.17 -0.58 105.19 114.41 3led n GLY 63 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3led n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3led s ILE 64 N -3.54 4.52 -0.03 -0.61 1.01 -1.26 -4.06 121.20 117.23 3led s ILE 64 Ca 0.00 1.97 0.03 0.00 0.00 0.00 0.00 60.65 62.66 3led s ILE 64 Cb 0.00 -4.28 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 3led s ILE 64 CO 0.00 0.35 0.08 0.29 0.00 0.00 0.00 174.94 175.66 3led n LYS 65 N 2.67 1.09 -3.70 2.79 5.02 -0.31 -4.04 118.16 121.68 3led n LYS 65 Ca 0.01 -0.03 -0.05 0.00 -2.02 0.00 0.00 58.31 56.22 3led n LYS 65 Cb 0.49 -1.01 -0.02 0.00 -0.02 0.00 0.00 35.03 34.48 3led n LYS 65 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3led s SER 66 N -2.20 -0.25 -0.01 4.39 0.15 -0.77 -1.52 113.70 113.49 3led s SER 66 Ca -0.01 -0.34 -0.15 0.00 0.70 0.00 0.00 55.95 56.15 3led s SER 66 Cb 0.02 0.52 0.02 0.00 -1.71 0.00 0.00 66.02 64.87 3led s SER 66 CO 0.14 -0.93 0.31 0.00 1.20 0.00 0.00 173.24 173.96 3led s ARG 67 N -3.39 0.69 0.27 5.44 3.03 -0.97 -2.88 118.95 121.13 3led s ARG 67 Ca 0.10 -0.22 -0.15 0.00 2.03 0.00 0.00 55.73 57.49 3led s ARG 67 Cb -0.02 0.30 -0.08 0.00 -1.03 0.00 0.00 34.95 34.12 3led s ARG 67 CO -0.00 -0.19 0.68 0.71 -1.13 0.00 0.00 175.30 175.37 3led s TYR 68 N -1.46 3.45 0.02 5.89 2.02 -1.26 -0.60 117.35 125.41 3led s TYR 68 Ca -0.13 1.16 0.00 0.00 -0.37 0.00 0.00 57.07 57.73 3led s TYR 68 Cb -0.05 -2.48 -0.02 0.00 -0.40 0.00 0.00 41.96 39.02 3led s TYR 68 CO 0.04 0.20 -0.03 0.14 -1.57 0.00 0.00 175.55 174.33 3led s VAL 69 N -1.83 0.13 -0.17 0.71 -7.23 -0.58 -0.96 120.40 110.48 3led s VAL 69 Ca 0.49 -0.68 0.20 0.00 -1.81 0.00 0.00 61.98 60.18 3led s VAL 69 Cb -0.12 -0.23 0.18 0.00 0.56 0.00 0.00 36.38 36.77 3led s VAL 69 CO 0.19 -0.35 1.58 -0.37 -0.31 0.00 0.00 175.10 175.84 3led h VAL 70 N 4.77 0.54 -1.98 1.32 -1.51 -1.92 -3.39 116.25 114.08 3led h VAL 70 Ca -0.30 -1.62 -0.35 0.00 -1.23 0.00 0.00 66.70 63.20 3led h VAL 70 Cb 1.21 2.15 -0.31 0.00 -2.13 0.00 0.00 31.29 32.20 3led h VAL 70 CO 0.44 0.29 -0.67 0.00 -1.23 0.00 0.00 177.57 176.40 3led s ALA 71 N -3.19 -0.46 0.04 5.19 0.00 -1.26 -5.03 121.76 117.05 3led s ALA 71 Ca 0.04 -0.78 -0.17 0.00 0.00 0.00 0.00 51.96 51.05 3led s ALA 71 Cb 0.07 -1.99 -0.22 0.00 0.00 0.00 0.00 23.12 20.98 3led s ALA 71 CO 0.70 -2.02 1.16 -0.22 0.00 0.00 0.00 175.76 175.38 3led h LYS 72 N 7.39 0.55 -0.90 0.00 3.64 -1.93 -3.40 116.57 121.92 3led h LYS 72 Ca 0.00 -0.55 0.15 0.00 -1.27 0.00 0.00 60.65 58.98 3led h LYS 72 Cb 1.06 0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 32.93 3led h LYS 72 CO 0.23 1.18 0.50 -1.35 -2.27 0.00 0.00 179.45 177.74 3led h PRO 73 N 0.13 0.67 0.00 1.90 0.11 -1.94 -0.94 132.00 131.95 3led h PRO 73 Ca -0.08 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.90 3led h PRO 73 Cb 1.41 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3led h PRO 73 CO 0.15 0.45 -0.40 0.78 -0.21 0.00 0.00 178.00 178.77 3led h GLY 74 N 0.70 0.00 2.00 -0.55 0.00 -1.77 -2.68 103.07 100.76 3led h GLY 74 Ca 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.73 3led h GLY 74 CO -0.36 0.00 -0.41 -2.22 0.00 0.00 0.00 176.54 173.55 3led h ILE 75 N 0.00 0.95 -0.60 2.60 2.04 -1.06 -2.74 117.51 118.70 3led h ILE 75 Ca -0.00 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.22 3led h ILE 75 Cb 0.83 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 3led h ILE 75 CO 0.05 0.41 0.00 1.33 0.00 0.00 0.00 178.15 179.94 3led n VAL 76 N -3.54 1.72 -3.66 1.67 0.24 -1.04 -4.77 118.33 108.96 3led n VAL 76 Ca -0.00 -1.22 -0.39 0.00 -2.04 0.00 0.00 64.34 60.69 3led n VAL 76 Cb 0.54 0.17 -0.12 0.00 -1.47 0.00 0.00 33.84 32.96 3led n VAL 76 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3led s ASP 77 N -1.01 5.54 0.27 -1.34 -1.08 -1.05 -4.75 116.67 113.26 3led s ASP 77 Ca 0.48 -0.76 0.21 0.00 -0.52 0.00 0.00 52.55 51.96 3led s ASP 77 Cb 0.31 -1.98 1.02 0.00 -1.46 0.00 0.00 42.92 40.80 3led s ASP 77 CO 0.23 -0.27 1.65 -0.81 0.52 0.00 0.00 175.17 176.49 3led n PRO 78 N 4.96 0.15 0.00 4.34 -0.04 -1.26 -1.34 135.00 141.81 3led n PRO 78 Ca -0.13 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 63.98 3led n PRO 78 Cb 0.48 -1.89 0.23 0.00 -0.04 0.00 0.00 33.50 32.28 3led n PRO 78 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3led n ASP 79 N -2.19 2.00 0.00 3.54 8.00 -1.26 -4.61 116.55 122.03 3led n ASP 79 Ca 0.00 -1.54 0.00 0.00 0.71 0.00 0.00 54.79 53.97 3led n ASP 79 Cb 0.12 0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 3led n ASP 79 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3led n VAL 80 N 0.32 0.00 0.00 2.53 0.31 -0.45 -5.22 118.33 115.82 3led n VAL 80 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 3led n VAL 80 Cb 0.46 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 3led n VAL 80 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 3led n ARG 82 N 0.00 0.00 -1.86 5.55 1.85 -1.05 -5.00 116.66 116.14 3led n ARG 82 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.47 3led n ARG 82 Cb 0.00 0.00 0.03 0.00 -1.05 0.00 0.00 32.46 31.44 3led n ARG 82 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 3led s PRO 83 N -2.83 3.21 -0.28 2.89 0.02 -1.26 -2.96 135.00 133.78 3led s PRO 83 Ca 0.00 2.14 -0.02 0.00 0.02 0.00 0.00 61.00 63.14 3led s PRO 83 Cb 0.00 -2.25 0.04 0.00 0.02 0.00 0.00 34.50 32.30 3led s PRO 83 CO 0.00 -1.11 -0.01 0.42 -0.33 0.00 0.00 177.00 175.97 3led s ILE 84 N -1.35 3.05 -0.35 2.83 1.01 -1.26 -4.95 121.20 120.17 3led s ILE 84 Ca 0.71 -1.20 0.01 0.00 0.00 0.00 0.00 60.65 60.17 3led s ILE 84 Cb -0.38 -2.67 0.11 0.00 0.01 0.00 0.00 42.46 39.53 3led s ILE 84 CO 0.45 0.01 0.14 -0.63 0.00 0.00 0.00 174.94 174.91 3led s ILE 85 N 1.30 1.14 0.56 2.92 1.01 -1.26 -4.93 121.20 121.95 3led s ILE 85 Ca -0.03 -1.86 -0.21 0.00 0.00 0.00 0.00 60.65 58.55 3led s ILE 85 Cb -0.18 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 3led s ILE 85 CO -0.02 -0.75 1.35 -2.65 0.00 0.00 0.00 174.94 172.87 3led n PRO 86 N 4.36 1.64 -2.37 2.79 -0.02 -1.26 -4.94 135.00 135.20 3led n PRO 86 Ca 0.02 0.60 -0.36 0.00 -2.02 0.00 0.00 63.50 61.75 3led n PRO 86 Cb 0.39 -2.57 -0.02 0.00 -0.02 0.00 0.00 33.50 31.29 3led n PRO 86 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3led s GLU 87 N -2.93 3.77 0.15 -0.52 2.02 -1.26 -5.05 118.70 114.89 3led s GLU 87 Ca 0.73 1.61 0.03 0.00 0.02 0.00 0.00 54.97 57.35 3led s GLU 87 Cb -0.41 -2.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.48 3led s GLU 87 CO 0.48 -0.50 0.28 1.03 0.02 0.00 0.00 175.26 176.57 3led s ARG 88 N -2.87 3.40 0.60 1.61 0.52 -1.26 -5.10 118.95 115.85 3led s ARG 88 Ca 0.65 -0.62 -0.19 0.00 -0.52 0.00 0.00 55.73 55.04 3led s ARG 88 Cb -0.24 -2.94 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 3led s ARG 88 CO 0.29 0.51 1.14 0.45 0.02 0.00 0.00 175.30 177.71 3led n SER 89 N -0.57 1.52 0.16 0.23 2.88 -1.26 -4.90 113.62 111.68 3led n SER 89 Ca -0.07 0.85 0.17 0.00 -1.33 0.00 0.00 58.87 58.49 3led n SER 89 Cb 0.54 -1.47 0.77 0.00 -0.75 0.00 0.00 64.21 63.30 3led n SER 89 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3led h ASN 90 N 0.69 0.00 0.85 -3.46 2.35 -2.00 -1.29 115.58 112.72 3led h ASN 90 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 3led h ASN 90 Cb 1.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.72 3led h ASN 90 CO 0.53 0.00 0.00 0.44 -1.65 0.00 0.00 177.43 176.75 3led h ASP 91 N 0.00 0.00 -2.82 5.81 3.32 -2.06 -3.44 116.42 117.23 3led h ASP 91 Ca 0.12 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.60 3led h ASP 91 Cb 0.56 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 3led h ASP 91 CO -0.00 0.00 -0.42 -1.61 -1.72 0.00 0.00 179.24 175.49 3led s GLU 92 N -3.35 3.49 0.21 3.56 2.02 -0.49 -5.06 118.70 119.07 3led s GLU 92 Ca 0.04 -0.41 -0.32 0.00 0.02 0.00 0.00 54.97 54.31 3led s GLU 92 Cb 0.09 -2.93 -0.11 0.00 0.10 0.00 0.00 34.13 31.28 3led s GLU 92 CO 0.44 0.50 1.66 -1.17 0.02 0.00 0.00 175.26 176.71 3led s LEU 93 N -2.98 4.37 0.74 1.80 2.96 -1.26 -4.87 118.68 119.43 3led s LEU 93 Ca 0.37 2.82 -0.13 0.00 -0.22 0.00 0.00 54.13 56.97 3led s LEU 93 Cb -0.12 -3.60 0.04 0.00 0.50 0.00 0.00 46.19 43.01 3led s LEU 93 CO 0.28 -0.92 1.11 -0.94 -1.32 0.00 0.00 176.35 174.56 3led s SER 94 N 1.04 4.57 0.22 3.68 1.04 -1.26 -4.80 113.70 118.19 3led s SER 94 Ca 0.71 1.97 -0.08 0.00 0.48 0.00 0.00 55.95 59.03 3led s SER 94 Cb -0.48 -2.54 0.18 0.00 0.10 0.00 0.00 66.02 63.28 3led s SER 94 CO 0.35 -1.99 1.86 -0.29 0.98 0.00 0.00 173.24 174.14 3led h ILE 95 N -0.67 1.24 -0.29 -1.02 2.10 -1.99 0.44 117.51 117.32 3led h ILE 95 Ca -0.45 -0.54 -0.07 0.00 1.08 0.00 0.00 64.86 64.88 3led h ILE 95 Cb 1.25 0.08 -0.01 0.00 -1.09 0.00 0.00 36.82 37.05 3led h ILE 95 CO 0.51 0.25 -0.11 0.25 -1.08 0.00 0.00 178.15 177.98 3led h LEU 96 N 1.15 0.59 -1.03 2.19 5.85 -1.99 -2.91 115.31 119.15 3led h LEU 96 Ca 0.30 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3led h LEU 96 Cb -0.02 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 3led h LEU 96 CO -0.05 0.85 0.45 0.00 -0.34 0.00 0.00 178.44 179.34 3led h ALA 97 N 0.76 1.26 0.00 1.25 0.00 -1.88 -2.76 119.26 117.89 3led h ALA 97 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3led h ALA 97 Cb 0.61 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3led h ALA 97 CO 0.04 0.60 0.00 -1.91 0.00 0.00 0.00 179.25 177.98 3led n GLU 98 N -4.35 0.01 0.00 0.00 2.13 0.12 -0.64 120.64 117.92 3led n GLU 98 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 3led n GLU 98 Cb 0.10 -1.22 0.00 0.00 0.27 0.00 0.00 31.44 30.59 3led n GLU 98 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3led n ALA 100 N 0.71 0.00 -0.22 4.31 0.00 -1.04 -1.70 120.51 122.57 3led n ALA 100 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3led n ALA 100 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 3led n ALA 100 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3led h VAL 101 N 0.00 1.25 -0.29 0.00 2.07 -1.16 0.79 116.25 118.91 3led h VAL 101 Ca 0.00 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 3led h VAL 101 Cb 0.00 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3led h VAL 101 CO 0.00 0.34 0.06 0.74 0.02 0.00 0.00 177.57 178.73 3led h THR 102 N 0.89 1.22 -0.50 2.57 2.02 -1.59 0.15 112.91 117.67 3led h THR 102 Ca 0.19 -0.75 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 3led h THR 102 Cb 0.36 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3led h THR 102 CO 0.00 0.25 0.30 0.00 0.37 0.00 0.00 175.52 176.44 3led h ALA 103 N 0.89 0.64 -0.85 6.16 0.00 -1.79 -2.74 119.26 121.58 3led h ALA 103 Ca 0.09 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3led h ALA 103 Cb 0.31 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3led h ALA 103 CO 0.00 0.13 0.51 0.00 0.00 0.00 0.00 179.25 179.90 3led h ALA 104 N 1.14 1.31 -0.48 0.00 0.00 -0.46 -2.03 119.26 118.74 3led h ALA 104 Ca 0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3led h ALA 104 Cb -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3led h ALA 104 CO -0.03 0.60 0.14 0.93 0.00 0.00 0.00 179.25 180.88 3led h GLU 105 N 1.16 0.71 -0.25 0.00 5.08 -0.47 0.15 114.58 120.96 3led h GLU 105 Ca 0.30 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3led h GLU 105 Cb -0.06 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3led h GLU 105 CO -0.06 0.63 0.01 0.37 -1.00 0.00 0.00 179.01 178.97 3led h GLN 106 N 0.70 0.44 -0.43 2.33 4.15 -1.16 -1.86 115.11 119.27 3led h GLN 106 Ca 0.16 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3led h GLN 106 Cb 0.23 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3led h GLN 106 CO -0.01 0.59 0.28 0.00 -1.93 0.00 0.00 178.83 177.77 3led h ALA 107 N 0.83 0.55 -0.59 3.38 0.00 -0.73 -1.31 119.26 121.38 3led h ALA 107 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3led h ALA 107 Cb 0.39 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3led h ALA 107 CO 0.01 0.01 0.31 0.82 0.00 0.00 0.00 179.25 180.40 3led h ILE 108 N 0.58 1.20 -0.22 0.00 2.04 -0.72 0.08 117.51 120.48 3led h ILE 108 Ca 0.16 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.52 3led h ILE 108 Cb -0.06 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 3led h ILE 108 CO -0.03 0.22 0.09 -0.08 0.00 0.00 0.00 178.15 178.34 3led h GLU 109 N 0.80 0.20 -0.71 2.37 4.22 -1.08 -1.71 114.58 118.67 3led h GLU 109 Ca 0.21 -0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.58 3led h GLU 109 Cb 0.06 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3led h GLU 109 CO -0.03 0.13 0.23 0.00 -2.18 0.00 0.00 179.01 177.16 3led h ARG 110 N 0.20 1.09 -0.56 1.92 3.08 -1.00 -2.95 114.38 116.16 3led h ARG 110 Ca 0.09 -0.23 0.02 0.00 0.07 0.00 0.00 59.98 59.93 3led h ARG 110 Cb 0.04 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 3led h ARG 110 CO -0.08 0.93 0.35 2.35 -1.07 0.00 0.00 179.97 182.45 3led h TRP 111 N 1.03 0.65 0.00 3.04 7.01 -0.72 -3.47 115.95 123.49 3led h TRP 111 Ca 0.23 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.25 3led h TRP 111 Cb 0.29 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.14 3led h TRP 111 CO 0.02 0.37 0.00 0.41 -2.79 0.00 0.00 178.44 176.46 3led n GLY 112 N -1.26 0.59 3.90 2.65 0.00 -0.67 -5.03 105.19 105.37 3led n GLY 112 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 3led n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3led s LYS 113 N -0.19 3.20 0.25 1.61 1.02 -1.26 -5.07 119.74 119.31 3led s LYS 113 Ca 0.00 -0.87 -0.30 0.00 0.02 0.00 0.00 55.97 54.82 3led s LYS 113 Cb 0.00 -2.75 -0.11 0.00 -0.52 0.00 0.00 37.83 34.45 3led s LYS 113 CO 0.00 0.43 1.58 -2.14 -0.92 0.00 0.00 175.35 174.30 3led s PRO 114 N -3.80 4.16 0.27 -1.68 0.02 -1.26 -4.87 135.00 127.85 3led s PRO 114 Ca 0.33 2.50 0.22 0.00 0.02 0.00 0.00 61.00 64.07 3led s PRO 114 Cb -0.09 -3.07 1.03 0.00 0.02 0.00 0.00 34.50 32.39 3led s PRO 114 CO 0.27 -0.61 1.67 2.89 -0.33 0.00 0.00 177.00 180.89 3led n ARG 115 N 2.73 0.16 0.32 5.54 1.85 -1.26 -1.83 116.66 124.17 3led n ARG 115 Ca 0.10 0.51 0.20 0.00 -1.00 0.00 0.00 57.85 57.66 3led n ARG 115 Cb 0.38 -1.89 1.07 0.00 -1.05 0.00 0.00 32.46 30.97 3led n ARG 115 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3led h GLU 116 N 0.00 0.00 0.00 2.89 3.07 -1.90 -1.50 114.58 117.14 3led h GLU 116 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 3led h GLU 116 Cb 0.21 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.11 3led h GLU 116 CO 0.00 0.00 -0.10 -0.09 -1.40 0.00 0.00 179.01 177.42 3led h ARG 117 N 0.00 0.00 -6.18 2.33 2.43 -1.74 -3.44 114.38 107.78 3led h ARG 117 Ca 0.01 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.62 3led h ARG 117 Cb 0.13 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 3led h ARG 117 CO -0.00 0.10 0.89 0.42 -1.51 0.00 0.00 179.97 179.87 3led s ILE 118 N -3.44 4.22 -0.65 1.20 1.01 -0.57 -3.37 121.20 119.60 3led s ILE 118 Ca 0.03 1.48 0.17 0.00 0.00 0.00 0.00 60.65 62.33 3led s ILE 118 Cb 0.08 -3.96 -0.20 0.00 0.01 0.00 0.00 42.46 38.39 3led s ILE 118 CO 0.63 -0.11 0.66 0.61 0.00 0.00 0.00 174.94 176.72 3led n GLY 119 N 3.62 -0.63 3.16 6.18 0.00 -0.28 -4.48 105.19 112.76 3led n GLY 119 Ca 0.14 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 3led n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3led s ALA 120 N -2.71 -0.63 -0.13 4.61 0.00 -1.23 -2.08 121.76 119.59 3led s ALA 120 Ca 0.04 0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.52 3led s ALA 120 Cb 0.12 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.03 3led s ALA 120 CO 0.70 -0.17 -0.22 0.08 0.00 0.00 0.00 175.76 176.14 3led s VAL 121 N -0.47 2.08 -0.23 0.00 1.01 -0.49 -1.11 120.40 121.19 3led s VAL 121 Ca -0.06 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 60.89 3led s VAL 121 Cb -0.04 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 3led s VAL 121 CO 0.01 0.55 -0.02 -0.76 0.00 0.00 0.00 175.10 174.89 3led s LEU 122 N 0.65 3.06 -0.48 3.92 1.43 0.14 -1.69 118.68 125.71 3led s LEU 122 Ca -0.11 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.41 3led s LEU 122 Cb -0.16 -1.77 0.06 0.00 0.03 0.00 0.00 46.19 44.35 3led s LEU 122 CO 0.02 -0.04 0.49 0.00 0.23 0.00 0.00 176.35 177.04 3led s ALA 124 N 2.06 2.74 0.25 0.00 0.00 -0.02 -4.35 121.76 122.44 3led s ALA 124 Ca 0.09 -2.12 -0.21 0.00 0.00 0.00 0.00 51.96 49.73 3led s ALA 124 Cb -0.22 -1.79 0.06 0.00 0.00 0.00 0.00 23.12 21.18 3led s ALA 124 CO 0.09 -1.43 0.91 0.00 0.00 0.00 0.00 175.76 175.34 3led n SER 126 N -1.00 0.15 -1.12 0.00 3.41 -1.26 -4.35 113.62 109.44 3led n SER 126 Ca -0.05 0.22 -0.00 0.00 -0.26 0.00 0.00 58.87 58.77 3led n SER 126 Cb 0.60 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3led n SER 126 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3led n ASN 127 N -1.45 -0.13 -0.03 4.04 2.85 -1.26 -4.76 115.26 114.52 3led n ASN 127 Ca 0.08 -1.08 -0.03 0.00 -0.11 0.00 0.00 54.58 53.44 3led n ASN 127 Cb 0.33 0.21 -0.04 0.00 1.24 0.00 0.00 39.78 41.52 3led n ASN 127 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 3led n GLN 129 N -0.04 3.02 -4.04 1.20 7.27 -1.26 -4.91 117.38 118.62 3led n GLN 129 Ca -0.00 -0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.97 3led n GLN 129 Cb 0.04 -1.14 -0.11 0.00 2.41 0.00 0.00 30.24 31.44 3led n GLN 129 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3led s ARG 130 N -2.14 0.48 0.13 3.69 0.52 -1.26 -5.05 118.95 115.32 3led s ARG 130 Ca -0.03 -0.88 -0.11 0.00 -0.52 0.00 0.00 55.73 54.19 3led s ARG 130 Cb 0.02 0.06 -0.08 0.00 0.52 0.00 0.00 34.95 35.47 3led s ARG 130 CO 0.22 -0.05 1.42 0.00 0.02 0.00 0.00 175.30 176.91 3led h ALA 131 N 4.03 0.48 -1.93 2.13 0.00 -2.03 -3.46 119.26 118.47 3led h ALA 131 Ca -0.33 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.03 3led h ALA 131 Cb 1.18 -0.08 -0.20 0.00 0.00 0.00 0.00 17.79 18.69 3led h ALA 131 CO 0.51 0.68 0.24 1.52 0.00 0.00 0.00 179.25 182.19 3led s TYR 132 N -4.16 -0.63 0.67 0.00 -0.85 -1.26 -4.40 117.35 106.73 3led s TYR 132 Ca -0.11 1.13 -0.16 0.00 -0.52 0.00 0.00 57.07 57.41 3led s TYR 132 Cb 0.10 0.40 0.01 0.00 0.38 0.00 0.00 41.96 42.85 3led s TYR 132 CO 0.89 -0.55 1.18 -1.25 -1.52 0.00 0.00 175.55 174.30 3led s PRO 133 N -1.03 2.55 0.00 -3.49 0.04 -1.26 -5.21 135.00 126.61 3led s PRO 133 Ca -0.09 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.64 3led s PRO 133 Cb -0.01 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.64 3led s PRO 133 CO 0.08 -1.50 0.00 0.00 0.04 0.00 0.00 177.00 175.62 3led n ALA 134 N -2.31 0.00 0.00 8.56 0.00 -1.26 -4.86 120.51 120.64 3led n ALA 134 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3led n ALA 134 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3led n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3led n ALA 136 N -3.00 0.00 -0.05 0.00 0.00 -1.26 -2.06 120.51 114.13 3led n ALA 136 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3led n ALA 136 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3led n ALA 136 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3led h ILE 137 N 0.00 1.28 -0.80 0.00 2.04 -1.90 0.25 117.51 118.38 3led h ILE 137 Ca 0.00 -1.80 -0.00 0.00 1.00 0.00 0.00 64.86 64.05 3led h ILE 137 Cb 0.00 1.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 3led h ILE 137 CO 0.00 0.58 0.49 -0.08 0.00 0.00 0.00 178.15 179.14 3led h GLU 138 N 0.60 1.08 -0.21 2.37 4.81 -1.75 -1.08 114.58 120.40 3led h GLU 138 Ca -0.00 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 3led h GLU 138 Cb 1.21 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 3led h GLU 138 CO 0.13 0.76 0.00 0.28 -0.73 0.00 0.00 179.01 179.45 3led h VAL 139 N 1.10 1.25 -0.47 0.32 2.07 -1.81 -1.44 116.25 117.27 3led h VAL 139 Ca 0.29 -0.87 0.09 0.00 0.82 0.00 0.00 66.70 67.03 3led h VAL 139 Cb -0.06 1.41 -0.09 0.00 -1.52 0.00 0.00 31.29 31.03 3led h VAL 139 CO -0.06 0.27 -0.12 -0.61 0.02 0.00 0.00 177.57 177.08 3led h GLN 140 N 0.14 -0.00 -0.49 1.57 4.15 -0.74 -0.58 115.11 119.15 3led h GLN 140 Ca 0.06 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.44 3led h GLN 140 Cb 0.39 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 3led h GLN 140 CO 0.01 -0.00 0.13 -0.97 -1.93 0.00 0.00 178.83 176.07 3led h ASN 141 N -0.00 0.73 -0.11 -0.69 -1.24 -1.08 -0.94 115.58 112.25 3led h ASN 141 Ca 0.22 -0.22 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 3led h ASN 141 Cb 0.34 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.18 3led h ASN 141 CO -0.48 0.77 -0.06 0.00 -1.29 0.00 0.00 177.43 176.36 3led h ALA 142 N 1.00 1.44 -0.00 1.57 0.00 -0.68 -1.81 119.26 120.78 3led h ALA 142 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3led h ALA 142 Cb 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3led h ALA 142 CO -0.00 0.39 -0.13 1.28 0.00 0.00 0.00 179.25 180.79 3led n LEU 143 N -4.28 0.53 -1.69 0.00 4.77 -0.28 -4.95 117.00 111.10 3led n LEU 143 Ca 0.00 -0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 3led n LEU 143 Cb 0.25 -0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 3led n LEU 143 CO 0.38 0.10 -0.02 0.61 -1.33 0.00 0.00 177.39 177.13 3led n GLY 144 N 1.29 0.01 3.89 -0.72 0.00 -0.68 -5.03 105.19 103.96 3led n GLY 144 Ca 0.14 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 3led n GLY 144 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3led s LEU 145 N -3.78 4.26 0.00 0.99 1.43 -0.42 -4.91 118.68 116.26 3led s LEU 145 Ca 0.14 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 3led s LEU 145 Cb -0.06 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.84 3led s LEU 145 CO 0.18 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.42 3led n GLY 146 N 0.12 0.52 6.95 -3.19 0.00 -1.26 -4.66 105.19 103.67 3led n GLY 146 Ca -0.02 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.16 3led n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3led n GLY 147 N 5.00 0.02 3.40 -0.02 0.00 -1.26 -4.73 105.19 107.60 3led n GLY 147 Ca 0.00 -1.02 -0.20 0.00 0.00 0.00 0.00 46.02 44.80 3led n GLY 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3led s PHE 148 N 0.00 1.80 -0.11 1.61 -0.12 -0.88 -5.01 117.98 115.26 3led s PHE 148 Ca 0.00 -1.05 -0.27 0.00 -0.05 0.00 0.00 56.93 55.55 3led s PHE 148 Cb 0.00 -1.14 0.06 0.00 -0.63 0.00 0.00 43.02 41.32 3led s PHE 148 CO 0.00 -0.13 0.64 0.00 -0.05 0.00 0.00 175.22 175.68 3led s ALA 149 N -3.47 -1.64 0.18 1.99 0.00 -1.26 -1.39 121.76 116.16 3led s ALA 149 Ca 0.37 1.40 -0.18 0.00 0.00 0.00 0.00 51.96 53.55 3led s ALA 149 Cb 0.08 -0.34 0.04 0.00 0.00 0.00 0.00 23.12 22.90 3led s ALA 149 CO 0.15 -0.34 0.52 -0.59 0.00 0.00 0.00 175.76 175.49 3led s PHE 150 N -0.72 -0.22 0.65 0.00 -0.12 -0.68 -4.66 117.98 112.23 3led s PHE 150 Ca -0.08 -0.10 0.05 0.00 -0.05 0.00 0.00 56.93 56.75 3led s PHE 150 Cb -0.02 0.40 0.11 0.00 -0.63 0.00 0.00 43.02 42.88 3led s PHE 150 CO 0.07 -0.87 0.89 -0.51 -0.05 0.00 0.00 175.22 174.75 3led s ASP 151 N -2.84 4.72 0.00 1.98 1.01 -1.26 -1.57 116.67 118.71 3led s ASP 151 Ca 0.06 -0.66 0.00 0.00 0.71 0.00 0.00 52.55 52.66 3led s ASP 151 Cb -0.01 0.22 0.00 0.00 1.01 0.00 0.00 42.92 44.14 3led s ASP 151 CO -0.06 -1.61 0.00 -3.20 0.21 0.00 0.00 175.17 170.51 3led n ASN 153 N -2.53 0.00 -2.52 0.27 2.85 -1.26 -4.94 115.26 107.13 3led n ASN 153 Ca 0.16 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.52 3led n ASN 153 Cb 0.61 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.67 3led n ASN 153 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 3led n VAL 154 N 0.00 1.74 0.00 3.44 3.14 -1.26 -5.03 118.33 120.36 3led n VAL 154 Ca 0.00 -3.49 0.00 0.00 -2.96 0.00 0.00 64.34 57.89 3led n VAL 154 Cb 0.00 0.27 0.00 0.00 -1.06 0.00 0.00 33.84 33.05 3led n VAL 154 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3led n ALA 155 N -0.59 0.00 0.28 1.55 0.00 -1.26 -1.65 120.51 118.84 3led n ALA 155 Ca 0.22 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.84 3led n ALA 155 Cb 0.85 0.00 0.94 0.00 0.00 0.00 0.00 19.45 21.25 3led n ALA 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3led n SER 157 N -3.41 4.35 0.12 0.00 7.64 -0.66 -3.88 113.62 117.78 3led n SER 157 Ca -0.01 -2.26 0.05 0.00 1.01 0.00 0.00 58.87 57.66 3led n SER 157 Cb 0.25 -0.53 0.49 0.00 -1.01 0.00 0.00 64.21 63.42 3led n SER 157 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3led h SER 158 N 4.01 0.24 -0.16 6.43 0.02 -1.14 -1.42 113.55 121.53 3led h SER 158 Ca 0.00 -0.02 -0.22 0.00 -0.84 0.00 0.00 61.79 60.71 3led h SER 158 Cb 1.24 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.73 3led h SER 158 CO 0.13 0.23 -0.77 0.00 -1.14 0.00 0.00 176.83 175.28 3led h ALA 159 N 1.81 0.32 -0.22 3.77 0.00 -1.79 0.83 119.26 123.97 3led h ALA 159 Ca 0.07 -0.60 -0.18 0.00 0.00 0.00 0.00 54.91 54.20 3led h ALA 159 Cb 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3led h ALA 159 CO -0.01 0.68 -0.58 1.79 0.00 0.00 0.00 179.25 181.14 3led h THR 160 N 0.55 1.30 -0.52 0.00 1.35 -1.82 -0.31 112.91 113.46 3led h THR 160 Ca -0.05 -1.80 -0.06 0.00 -0.55 0.00 0.00 66.41 63.95 3led h THR 160 Cb 1.40 1.74 -0.02 0.00 -1.73 0.00 0.00 68.15 69.53 3led h THR 160 CO 0.16 0.57 0.08 -0.26 -0.25 0.00 0.00 175.52 175.82 3led h PHE 161 N 0.54 0.87 -0.51 4.73 -1.00 -1.27 -1.64 116.94 118.66 3led h PHE 161 Ca 0.00 -0.10 -0.09 0.00 2.81 0.00 0.00 57.97 60.60 3led h PHE 161 Cb 1.16 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 40.46 3led h PHE 161 CO 0.06 0.75 -0.04 0.78 -1.61 0.00 0.00 178.31 178.26 3led h GLY 162 N 0.98 1.00 1.01 -1.45 0.00 -0.68 -0.89 103.07 103.04 3led h GLY 162 Ca 0.17 -0.76 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 3led h GLY 162 CO 0.01 0.70 0.45 1.41 0.00 0.00 0.00 176.54 179.11 3led h LEU 163 N 0.79 0.90 -0.31 3.11 3.38 -0.80 0.81 115.31 123.18 3led h LEU 163 Ca 0.14 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3led h LEU 163 Cb 0.58 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3led h LEU 163 CO 0.03 0.70 0.17 0.50 0.09 0.00 0.00 178.44 179.93 3led h LYS 164 N 1.02 0.44 -0.21 1.13 3.11 -1.17 0.29 116.57 121.18 3led h LYS 164 Ca 0.27 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 58.05 3led h LYS 164 Cb -0.04 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.10 3led h LYS 164 CO -0.05 0.37 0.08 1.15 -2.81 0.00 0.00 179.45 178.19 3led h THR 165 N 0.39 1.17 -0.63 1.00 2.02 -0.86 -1.38 112.91 114.62 3led h THR 165 Ca 0.11 -0.50 0.08 0.00 0.77 0.00 0.00 66.41 66.87 3led h THR 165 Cb 0.05 1.11 -0.06 0.00 -1.74 0.00 0.00 68.15 67.51 3led h THR 165 CO -0.02 0.16 0.30 0.00 0.37 0.00 0.00 175.52 176.33 3led h ALA 166 N 0.92 0.83 -0.63 6.16 0.00 -0.70 -1.02 119.26 124.81 3led h ALA 166 Ca 0.07 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3led h ALA 166 Cb 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3led h ALA 166 CO -0.01 -0.08 0.16 0.00 0.00 0.00 0.00 179.25 179.32 3led h ALA 167 N 1.37 1.08 -0.25 0.00 0.00 -0.53 -0.92 119.26 120.02 3led h ALA 167 Ca 0.30 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3led h ALA 167 Cb 0.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3led h ALA 167 CO -0.24 0.61 -0.32 -0.44 0.00 0.00 0.00 179.25 178.86 3led h ASP 168 N 0.95 0.54 0.01 0.00 3.32 -0.75 0.99 116.42 121.49 3led h ASP 168 Ca 0.20 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3led h ASP 168 Cb 0.33 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3led h ASP 168 CO -0.00 0.83 -0.01 -0.26 -1.72 0.00 0.00 179.24 178.08 3led h PHE 169 N 0.45 -0.02 0.00 4.55 0.04 -0.71 -1.82 116.94 119.43 3led h PHE 169 Ca 0.05 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.75 3led h PHE 169 Cb 0.78 0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 3led h PHE 169 CO 0.03 0.20 -0.34 -0.39 -0.60 0.00 0.00 178.31 177.20 3led h VAL 170 N -0.23 0.88 -0.46 -0.55 -1.51 -1.13 -2.95 116.25 110.29 3led h VAL 170 Ca -0.00 -1.36 -0.07 0.00 -1.23 0.00 0.00 66.70 64.04 3led h VAL 170 Cb 0.22 1.83 -0.02 0.00 -2.13 0.00 0.00 31.29 31.19 3led h VAL 170 CO 0.00 0.33 0.02 1.23 -1.23 0.00 0.00 177.57 177.92 3led h GLY 171 N 1.80 0.81 1.02 5.19 0.00 -0.58 -2.86 103.07 108.45 3led h GLY 171 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3led h GLY 171 CO 0.04 0.48 -0.10 0.61 0.00 0.00 0.00 176.54 177.57 3led n GLY 172 N -0.70 -1.01 2.75 4.60 0.00 -0.70 -1.59 105.19 108.53 3led n GLY 172 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3led n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3led n GLY 173 N 1.29 1.41 0.28 -0.02 0.00 -1.08 -4.89 105.19 102.18 3led n GLY 173 Ca 0.14 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.32 3led n GLY 173 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3led h SER 174 N 0.00 0.00 -5.18 1.61 4.64 -1.85 -3.43 113.55 109.34 3led h SER 174 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3led h SER 174 Cb 0.00 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 61.93 3led h SER 174 CO 0.00 0.07 -0.62 0.68 -0.87 0.00 0.00 176.83 176.09 3led s VAL 175 N -3.96 0.19 -0.13 0.95 -7.23 -1.26 -5.04 120.40 103.92 3led s VAL 175 Ca -0.02 -1.53 0.19 0.00 -1.81 0.00 0.00 61.98 58.82 3led s VAL 175 Cb 0.11 -1.26 -0.20 0.00 0.56 0.00 0.00 36.38 35.60 3led s VAL 175 CO 0.54 -0.84 0.61 0.47 -0.31 0.00 0.00 175.10 175.57 3led n ASP 176 N 0.36 0.44 -3.60 4.85 8.00 -1.26 -4.47 116.55 120.87 3led n ASP 176 Ca -0.16 0.19 -0.17 0.00 0.71 0.00 0.00 54.79 55.36 3led n ASP 176 Cb 0.60 0.90 -0.07 0.00 -0.02 0.00 0.00 41.12 42.53 3led n ASP 176 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3led s ALA 177 N -3.08 -1.46 -0.04 2.24 0.00 -1.22 -3.15 121.76 115.04 3led s ALA 177 Ca -0.05 1.02 0.04 0.00 0.00 0.00 0.00 51.96 52.97 3led s ALA 177 Cb 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 3led s ALA 177 CO 0.84 -0.34 -0.17 0.08 0.00 0.00 0.00 175.76 176.18 3led s VAL 178 N -1.21 1.38 0.25 0.00 1.01 -0.02 -1.13 120.40 120.69 3led s VAL 178 Ca -0.12 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.21 3led s VAL 178 Cb -0.02 -1.19 0.04 0.00 0.00 0.00 0.00 36.38 35.21 3led s VAL 178 CO 0.08 0.40 0.31 -0.11 0.00 0.00 0.00 175.10 175.78 3led n LEU 179 N 3.14 0.00 -3.63 3.92 7.94 -0.27 -0.88 117.00 127.22 3led n LEU 179 Ca -0.18 -1.15 -0.06 0.00 -1.11 0.00 0.00 56.01 53.51 3led n LEU 179 Cb 0.53 -0.15 -0.06 0.00 0.53 0.00 0.00 43.42 44.27 3led n LEU 179 CO 0.25 -0.55 0.97 0.68 -1.11 0.00 0.00 177.39 177.63 3led s VAL 181 N -0.74 0.00 -0.58 1.96 -7.23 -0.09 -0.68 120.40 113.04 3led s VAL 181 Ca 0.24 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.46 3led s VAL 181 Cb -0.02 -1.00 0.18 0.00 0.56 0.00 0.00 36.38 36.10 3led s VAL 181 CO 0.15 0.00 0.47 0.59 -0.31 0.00 0.00 175.10 176.00 3led n ASN 182 N 1.40 1.68 -4.70 4.85 4.13 0.52 -0.84 115.26 122.30 3led n ASN 182 Ca -0.09 -2.91 -0.41 0.00 1.68 0.00 0.00 54.58 52.85 3led n ASN 182 Cb 0.57 -0.67 -0.04 0.00 -1.54 0.00 0.00 39.78 38.10 3led n ASN 182 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3led s PRO 183 N -1.03 4.43 -0.15 3.52 0.04 -1.26 -2.12 135.00 138.43 3led s PRO 183 Ca 0.30 1.06 -0.01 0.00 0.04 0.00 0.00 61.00 62.39 3led s PRO 183 Cb 0.02 -3.48 0.04 0.00 0.04 0.00 0.00 34.50 31.12 3led s PRO 183 CO -0.16 -0.07 -0.03 -1.21 0.04 0.00 0.00 177.00 175.57 3led s GLU 184 N 1.22 1.15 -0.81 4.56 0.41 -0.04 -4.69 118.70 120.49 3led s GLU 184 Ca 0.41 -0.36 0.02 0.00 -0.41 0.00 0.00 54.97 54.63 3led s GLU 184 Cb -0.18 -1.80 0.29 0.00 -1.78 0.00 0.00 34.13 30.65 3led s GLU 184 CO 0.19 -0.43 1.10 -0.89 -0.49 0.00 0.00 175.26 174.74 3led n ILE 185 N 4.96 3.75 0.25 -1.63 5.41 -1.26 -1.53 119.36 129.30 3led n ILE 185 Ca -0.10 -5.57 0.11 0.00 1.00 0.00 0.00 62.75 58.19 3led n ILE 185 Cb 0.48 -1.98 0.63 0.00 -0.71 0.00 0.00 39.64 38.06 3led n ILE 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3led h SER 187 N 0.00 0.00 0.96 0.00 4.64 -1.81 -1.31 113.55 116.04 3led h SER 187 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3led h SER 187 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3led h SER 187 CO 0.02 0.00 0.00 1.23 -0.87 0.00 0.00 176.83 177.21 3led h GLY 188 N 0.00 0.00 -0.18 -0.77 0.00 -1.47 -3.26 103.07 97.39 3led h GLY 188 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3led h GLY 188 CO -0.00 0.00 -0.09 -2.39 0.00 0.00 0.00 176.54 174.06 3led n HIS 189 N -2.81 0.00 -3.38 5.60 1.44 -0.52 -5.00 115.22 110.55 3led n HIS 189 Ca 0.01 -0.55 -0.34 0.00 -2.01 0.00 0.00 57.72 54.84 3led n HIS 189 Cb 0.29 -0.08 -0.06 0.00 0.12 0.00 0.00 29.99 30.26 3led n HIS 189 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 3led s LEU 190 N -1.45 4.25 -0.70 2.39 2.96 -1.03 -0.75 118.68 124.34 3led s LEU 190 Ca 0.13 1.01 -0.19 0.00 -0.22 0.00 0.00 54.13 54.85 3led s LEU 190 Cb 0.11 -3.49 0.11 0.00 0.50 0.00 0.00 46.19 43.43 3led s LEU 190 CO 0.01 0.01 0.86 0.21 -1.32 0.00 0.00 176.35 176.12 3led s ASN 191 N -2.04 6.33 0.00 3.68 3.84 -1.26 -4.87 114.94 120.63 3led s ASN 191 Ca 0.43 -1.59 0.13 0.00 0.21 0.00 0.00 52.86 52.03 3led s ASN 191 Cb -0.13 -2.34 0.58 0.00 -0.55 0.00 0.00 41.25 38.82 3led s ASN 191 CO 0.20 -1.12 1.39 0.49 -2.79 0.00 0.00 177.10 175.26 3led n PHE 192 N 6.46 0.00 1.21 0.43 3.72 -1.26 -1.79 117.46 126.22 3led n PHE 192 Ca 0.01 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.54 3led n PHE 192 Cb 0.45 -0.43 0.32 0.00 -0.94 0.00 0.00 39.48 38.88 3led n PHE 192 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3led n ARG 193 N -1.43 0.87 -3.14 -1.08 1.74 -1.26 -4.78 116.66 107.57 3led n ARG 193 Ca 0.04 -0.55 -0.42 0.00 -0.77 0.00 0.00 57.85 56.16 3led n ARG 193 Cb 0.13 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.02 3led n ARG 193 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3led s ASP 194 N -2.51 6.41 0.40 0.55 2.15 -0.74 -4.95 116.67 117.97 3led s ASP 194 Ca 0.23 0.12 0.06 0.00 0.43 0.00 0.00 52.55 53.40 3led s ASP 194 Cb 0.19 -2.31 0.81 0.00 -0.30 0.00 0.00 42.92 41.30 3led s ASP 194 CO 0.53 -0.56 2.04 -0.09 -0.17 0.00 0.00 175.17 176.92 3led h ARG 195 N 8.44 0.61 -0.00 4.34 2.43 -1.89 0.93 114.38 129.24 3led h ARG 195 Ca -0.27 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 3led h ARG 195 Cb 1.11 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3led h ARG 195 CO 0.82 0.41 -0.10 -0.25 -1.51 0.00 0.00 179.97 179.34 3led n ASP 196 N -4.47 0.27 0.00 -3.80 8.00 -1.26 -4.09 116.55 111.20 3led n ASP 196 Ca 0.04 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.27 3led n ASP 196 Cb 0.06 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 3led n ASP 196 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3led n SER 197 N -1.17 0.21 0.30 -2.24 3.41 -0.72 -4.88 113.62 108.52 3led n SER 197 Ca 0.13 -0.68 0.18 0.00 -0.26 0.00 0.00 58.87 58.24 3led n SER 197 Cb 0.28 0.13 0.94 0.00 -0.26 0.00 0.00 64.21 65.30 3led n SER 197 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 3led h HIS 198 N 0.00 0.00 -0.01 7.33 2.07 -1.00 -1.25 115.15 122.29 3led h HIS 198 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3led h HIS 198 Cb 0.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.18 3led h HIS 198 CO 0.00 0.03 -0.31 1.97 -3.07 0.00 0.00 177.93 176.55 3led n PHE 199 N -3.27 0.00 -0.00 6.12 1.16 -1.26 -4.66 117.46 115.55 3led n PHE 199 Ca -0.02 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.39 3led n PHE 199 Cb 0.18 -0.06 -0.13 0.00 -1.61 0.00 0.00 39.48 37.86 3led n PHE 199 CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 3led h ILE 200 N 1.97 1.55 -2.87 1.97 2.04 -1.58 -3.45 117.51 117.13 3led h ILE 200 Ca 0.00 -2.22 -0.63 0.00 1.00 0.00 0.00 64.86 63.01 3led h ILE 200 Cb 0.63 2.96 -0.06 0.00 -0.74 0.00 0.00 36.82 39.61 3led h ILE 200 CO 0.00 0.62 -0.36 -0.36 0.00 0.00 0.00 178.15 178.05 3led s PHE 201 N -2.79 3.62 0.20 1.37 0.08 -1.26 -0.37 117.98 118.83 3led s PHE 201 Ca -0.15 0.68 0.03 0.00 0.12 0.00 0.00 56.93 57.62 3led s PHE 201 Cb 0.01 -2.06 -0.01 0.00 -0.57 0.00 0.00 43.02 40.38 3led s PHE 201 CO 0.78 0.65 0.12 0.41 -0.10 0.00 0.00 175.22 177.09 3led n GLY 202 N 1.53 3.51 3.33 4.36 0.00 -0.44 -4.58 105.19 112.90 3led n GLY 202 Ca -0.14 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 43.73 3led n GLY 202 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3led s ASP 203 N -2.31 2.93 -0.10 1.61 1.01 -0.13 -3.34 116.67 116.35 3led s ASP 203 Ca 0.18 -0.69 -0.33 0.00 0.71 0.00 0.00 52.55 52.42 3led s ASP 203 Cb 0.01 -0.20 0.13 0.00 1.01 0.00 0.00 42.92 43.87 3led s ASP 203 CO 0.12 0.14 1.28 0.54 0.21 0.00 0.00 175.17 177.46 3led s VAL 204 N -1.04 0.00 -0.00 -1.27 0.11 -0.58 -4.56 120.40 113.05 3led s VAL 204 Ca 0.10 -0.12 0.02 0.00 -2.93 0.00 0.00 61.98 59.05 3led s VAL 204 Cb -0.10 -1.61 -0.00 0.00 -1.53 0.00 0.00 36.38 33.14 3led s VAL 204 CO 0.05 0.00 -0.06 0.00 -3.33 0.00 0.00 175.10 171.76 3led s ALA 205 N -2.37 0.46 0.35 1.54 0.00 -0.76 -0.86 121.76 120.12 3led s ALA 205 Ca 0.12 -0.25 0.09 0.00 0.00 0.00 0.00 51.96 51.93 3led s ALA 205 Cb 0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 3led s ALA 205 CO -0.04 0.11 0.02 0.95 0.00 0.00 0.00 175.76 176.80 3led s THR 206 N -0.15 2.52 0.04 0.00 -4.23 -0.90 -0.39 115.64 112.53 3led s THR 206 Ca 0.02 -1.97 -0.10 0.00 -1.18 0.00 0.00 61.69 58.46 3led s THR 206 Cb -0.02 -2.81 0.01 0.00 1.34 0.00 0.00 72.50 71.01 3led s THR 206 CO -0.00 -0.17 0.21 0.00 -0.54 0.00 0.00 174.62 174.12 3led s ALA 207 N -2.55 -0.41 -0.01 3.99 0.00 -0.00 -0.36 121.76 122.41 3led s ALA 207 Ca 0.35 -0.24 -0.11 0.00 0.00 0.00 0.00 51.96 51.96 3led s ALA 207 Cb 0.01 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.44 3led s ALA 207 CO 0.19 -0.38 0.23 0.00 0.00 0.00 0.00 175.76 175.81 3led s ALA 208 N -2.60 -0.57 -0.14 0.00 0.00 -1.26 -1.19 121.76 115.99 3led s ALA 208 Ca -0.05 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.06 3led s ALA 208 Cb -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 3led s ALA 208 CO -0.04 -0.23 -0.14 0.42 0.00 0.00 0.00 175.76 175.77 3led s ILE 209 N -1.25 2.86 -0.13 0.00 1.01 0.03 -4.39 121.20 119.34 3led s ILE 209 Ca -0.13 -0.72 -0.00 0.00 0.00 0.00 0.00 60.65 59.80 3led s ILE 209 Cb -0.06 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 3led s ILE 209 CO 0.03 0.52 -0.12 -0.69 0.00 0.00 0.00 174.94 174.68 3led s VAL 210 N 0.55 3.20 0.16 2.92 1.01 -0.06 -0.54 120.40 127.64 3led s VAL 210 Ca -0.09 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 3led s VAL 210 Cb -0.16 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 3led s VAL 210 CO 0.04 0.53 0.11 -1.83 0.00 0.00 0.00 175.10 173.94 3led s GLU 211 N 0.24 1.06 0.21 2.72 -1.05 -0.31 -0.84 118.70 120.73 3led s GLU 211 Ca -0.08 -1.49 -0.32 0.00 -0.15 0.00 0.00 54.97 52.93 3led s GLU 211 Cb -0.15 0.27 -0.13 0.00 -0.44 0.00 0.00 34.13 33.68 3led s GLU 211 CO 0.05 -0.33 1.63 2.89 0.95 0.00 0.00 175.26 180.45 3led n ARG 212 N -0.18 2.50 -0.09 -4.83 1.85 -1.19 -0.66 116.66 114.06 3led n ARG 212 Ca -0.03 0.90 0.04 0.00 -1.00 0.00 0.00 57.85 57.76 3led n ARG 212 Cb 0.64 -2.69 0.38 0.00 -1.05 0.00 0.00 32.46 29.74 3led n ARG 212 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3led h ALA 213 N 5.98 1.67 0.00 2.89 0.00 -1.42 -2.46 119.26 125.93 3led h ALA 213 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3led h ALA 213 Cb 1.23 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3led h ALA 213 CO 0.89 0.28 0.00 -0.40 0.00 0.00 0.00 179.25 180.02 3led n ASP 214 N -4.46 0.38 -0.25 0.00 5.75 -1.26 -1.63 116.55 115.08 3led n ASP 214 Ca 0.06 0.62 0.03 0.00 -0.01 0.00 0.00 54.79 55.49 3led n ASP 214 Cb 0.10 -0.69 0.04 0.00 -1.03 0.00 0.00 41.12 39.54 3led n ASP 214 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3led n ASP 215 N -1.95 1.72 -4.79 -1.12 8.00 -0.94 -5.06 116.55 112.41 3led n ASP 215 Ca 0.01 -1.43 -0.39 0.00 0.71 0.00 0.00 54.79 53.69 3led n ASP 215 Cb 0.13 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.15 3led n ASP 215 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3led s ALA 216 N -0.60 3.48 -0.31 2.24 0.00 -0.64 -5.04 121.76 120.89 3led s ALA 216 Ca 0.08 0.28 -0.06 0.00 0.00 0.00 0.00 51.96 52.26 3led s ALA 216 Cb 0.05 -2.87 0.03 0.00 0.00 0.00 0.00 23.12 20.33 3led s ALA 216 CO 0.07 0.32 0.07 -0.65 0.00 0.00 0.00 175.76 175.57 3led s GLN 217 N -1.16 2.79 4.08 0.00 1.11 -1.26 -5.02 119.66 120.20 3led s GLN 217 Ca 0.34 -1.05 0.00 0.00 0.01 0.00 0.00 55.36 54.66 3led s GLN 217 Cb -0.22 -3.35 0.00 0.00 -1.01 0.00 0.00 33.01 28.43 3led s GLN 217 CO 0.24 -0.55 0.00 0.41 0.01 0.00 0.00 175.29 175.40 3led n GLY 218 N 4.80 0.98 7.00 3.09 0.00 -1.26 -5.01 105.19 114.79 3led n GLY 218 Ca -0.14 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.19 3led n GLY 218 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3led n GLY 219 N 0.00 -0.76 2.94 -0.02 0.00 -1.26 -4.76 105.19 101.33 3led n GLY 219 Ca 0.00 -1.16 -0.27 0.00 0.00 0.00 0.00 46.02 44.59 3led n GLY 219 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3led s TRP 220 N 0.00 1.55 0.23 1.61 0.52 -0.61 -1.28 118.94 120.96 3led s TRP 220 Ca 0.00 -0.75 -0.30 0.00 0.02 0.00 0.00 56.10 55.07 3led s TRP 220 Cb 0.00 -1.24 -0.09 0.00 -1.15 0.00 0.00 33.47 30.99 3led s TRP 220 CO 0.00 -0.49 1.34 -1.12 0.02 0.00 0.00 176.95 176.70 3led s SER 221 N 1.50 6.83 -0.61 2.95 0.01 0.13 -0.43 113.70 124.07 3led s SER 221 Ca 0.01 2.50 -0.24 0.00 1.31 0.00 0.00 55.95 59.53 3led s SER 221 Cb -0.13 -2.62 0.05 0.00 0.21 0.00 0.00 66.02 63.53 3led s SER 221 CO -0.06 -0.57 0.99 -0.63 0.41 0.00 0.00 173.24 173.38 3led s ILE 222 N -0.06 4.28 0.23 1.44 1.01 -0.38 -1.58 121.20 126.14 3led s ILE 222 Ca 0.56 0.06 0.10 0.00 0.00 0.00 0.00 60.65 61.38 3led s ILE 222 Cb -0.38 -4.64 -0.06 0.00 0.01 0.00 0.00 42.46 37.39 3led s ILE 222 CO 0.41 -1.33 1.54 -0.07 0.00 0.00 0.00 174.94 175.49 3led h LEU 223 N 11.36 0.00 0.00 2.97 3.38 -1.19 -3.42 115.31 128.41 3led h LEU 223 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3led h LEU 223 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3led h LEU 223 CO 1.15 0.69 0.00 0.61 0.09 0.00 0.00 178.44 180.98 3led n GLY 224 N 0.51 1.20 3.20 0.83 0.00 -1.21 -4.99 105.19 104.73 3led n GLY 224 Ca -0.01 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.44 3led n GLY 224 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3led s THR 225 N -2.00 1.20 -0.06 2.61 -4.23 -1.26 -1.46 115.64 110.44 3led s THR 225 Ca 0.00 -1.47 -0.02 0.00 -1.18 0.00 0.00 61.69 59.01 3led s THR 225 Cb 0.00 -1.26 0.04 0.00 1.34 0.00 0.00 72.50 72.62 3led s THR 225 CO 0.00 -0.30 0.13 -0.75 -0.54 0.00 0.00 174.62 173.15 3led s LYS 226 N -2.13 0.06 -0.02 3.99 2.47 -0.69 -4.98 119.74 118.45 3led s LYS 226 Ca 0.02 0.35 0.07 0.00 -1.56 0.00 0.00 55.97 54.85 3led s LYS 226 Cb -0.08 -0.20 -0.02 0.00 -1.46 0.00 0.00 37.83 36.07 3led s LYS 226 CO 0.02 -0.18 -0.23 -0.51 0.16 0.00 0.00 175.35 174.62 3led s LEU 227 N 1.22 2.23 -0.04 5.43 1.43 -1.26 -0.71 118.68 126.98 3led s LEU 227 Ca -0.08 -0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 52.56 3led s LEU 227 Cb -0.12 -1.39 0.01 0.00 0.03 0.00 0.00 46.19 44.72 3led s LEU 227 CO -0.05 0.32 0.12 -0.75 0.23 0.00 0.00 176.35 176.21 3led s LYS 228 N -0.69 0.15 0.05 1.70 2.20 -0.22 -5.02 119.74 117.91 3led s LYS 228 Ca 0.11 0.14 0.04 0.00 -0.36 0.00 0.00 55.97 55.90 3led s LYS 228 Cb -0.10 0.07 -0.03 0.00 -1.51 0.00 0.00 37.83 36.26 3led s LYS 228 CO -0.00 -0.02 -0.13 0.95 -0.36 0.00 0.00 175.35 175.79 3led s THR 229 N 0.00 0.99 -0.26 3.43 -4.23 -1.26 -0.87 115.64 113.44 3led s THR 229 Ca -0.01 -1.14 -0.01 0.00 -1.18 0.00 0.00 61.69 59.35 3led s THR 229 Cb -0.01 -0.95 0.15 0.00 1.34 0.00 0.00 72.50 73.03 3led s THR 229 CO 0.00 -0.17 0.41 -1.58 -0.54 0.00 0.00 174.62 172.74 3led s GLN 230 N -1.49 0.39 0.17 3.99 0.74 -0.47 -5.00 119.66 117.99 3led s GLN 230 Ca -0.02 0.45 -0.34 0.00 0.05 0.00 0.00 55.36 55.50 3led s GLN 230 Cb -0.09 -0.33 -0.14 0.00 1.10 0.00 0.00 33.01 33.55 3led s GLN 230 CO 0.02 -0.77 1.47 0.34 -0.55 0.00 0.00 175.29 175.80 3led n PHE 231 N 5.37 2.05 -3.79 1.67 7.35 -1.26 -0.53 117.46 128.32 3led n PHE 231 Ca -0.02 0.40 -0.13 0.00 -0.76 0.00 0.00 57.45 56.94 3led n PHE 231 Cb 0.50 -2.47 -0.11 0.00 0.35 0.00 0.00 39.48 37.75 3led n PHE 231 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3led s SER 232 N 0.64 -0.24 -0.00 -2.13 0.15 -0.33 -4.63 113.70 107.16 3led s SER 232 Ca 0.77 0.43 0.13 0.00 0.70 0.00 0.00 55.95 57.98 3led s SER 232 Cb -0.73 0.48 0.38 0.00 -1.71 0.00 0.00 66.02 64.44 3led s SER 232 CO 0.43 -0.14 1.31 0.59 1.20 0.00 0.00 173.24 176.63 3led n ASN 233 N 2.69 2.29 0.06 5.45 3.02 -1.26 -4.35 115.26 123.16 3led n ASN 233 Ca -0.14 -2.00 0.11 0.00 -0.03 0.00 0.00 54.58 52.51 3led n ASN 233 Cb 0.58 -0.29 0.45 0.00 -0.61 0.00 0.00 39.78 39.91 3led n ASN 233 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3led n ASN 234 N 0.75 0.34 -3.77 6.41 3.02 -1.26 -4.17 115.26 116.58 3led n ASN 234 Ca 0.14 0.56 -0.24 0.00 -0.03 0.00 0.00 54.58 55.02 3led n ASN 234 Cb 0.36 -0.64 -0.17 0.00 -0.61 0.00 0.00 39.78 38.72 3led n ASN 234 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3led s ILE 235 N -3.11 0.41 -0.01 2.41 1.01 -1.26 -0.82 121.20 119.83 3led s ILE 235 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 60.65 60.51 3led s ILE 235 Cb 0.12 -0.62 0.05 0.00 0.01 0.00 0.00 42.46 42.01 3led s ILE 235 CO 0.42 0.18 0.50 -0.60 0.00 0.00 0.00 174.94 175.44 3led s ARG 236 N 1.95 0.90 -0.15 2.79 3.52 -0.50 -4.55 118.95 122.91 3led s ARG 236 Ca 0.04 -0.04 -0.04 0.00 -0.13 0.00 0.00 55.73 55.56 3led s ARG 236 Cb -0.13 0.41 0.08 0.00 -1.56 0.00 0.00 34.95 33.75 3led s ARG 236 CO -0.06 -0.28 0.26 1.21 -0.81 0.00 0.00 175.30 175.62 3led s ASN 237 N -1.44 0.60 0.00 -2.12 3.84 -1.26 -1.26 114.94 113.30 3led s ASN 237 Ca -0.10 0.36 0.20 0.00 0.21 0.00 0.00 52.86 53.53 3led s ASN 237 Cb -0.02 0.64 0.73 0.00 -0.55 0.00 0.00 41.25 42.04 3led s ASN 237 CO 0.05 -0.26 1.53 0.59 -2.79 0.00 0.00 177.10 176.22 3led n ASN 238 N 5.34 1.69 -4.77 -4.21 3.02 0.30 -4.93 115.26 111.71 3led n ASN 238 Ca -0.06 -1.72 -0.41 0.00 -0.03 0.00 0.00 54.58 52.36 3led n ASN 238 Cb 0.50 -0.11 -0.02 0.00 -0.61 0.00 0.00 39.78 39.53 3led n ASN 238 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3led s ALA 239 N -1.78 3.51 0.00 5.41 0.00 -1.26 -4.90 121.76 122.74 3led s ALA 239 Ca 0.32 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.55 3led s ALA 239 Cb 0.17 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3led s ALA 239 CO 0.26 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.77 3led n GLY 240 N 0.91 -1.37 0.26 0.00 0.00 -1.26 -5.02 105.19 98.71 3led n GLY 240 Ca 0.01 -0.99 0.12 0.00 0.00 0.00 0.00 46.02 45.16 3led n GLY 240 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3led h PHE 241 N 0.00 0.00 -0.00 1.61 -5.15 -2.04 -0.91 116.94 110.44 3led h PHE 241 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3led h PHE 241 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 3led h PHE 241 CO 0.00 0.13 -0.05 1.28 -2.00 0.00 0.00 178.31 177.67 3led n LEU 242 N -3.65 0.29 0.25 2.10 4.77 -1.26 -3.68 117.00 115.82 3led n LEU 242 Ca -0.02 0.07 0.09 0.00 -0.03 0.00 0.00 56.01 56.11 3led n LEU 242 Cb 0.25 -0.17 0.65 0.00 -2.33 0.00 0.00 43.42 41.82 3led n LEU 242 CO 0.30 0.05 1.02 0.78 -1.33 0.00 0.00 177.39 178.22 3led h ASN 243 N 0.37 0.00 0.62 -1.43 -0.26 -1.51 -0.55 115.58 112.82 3led h ASN 243 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3led h ASN 243 Cb 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 3led h ASN 243 CO 0.00 0.06 0.00 0.08 -1.06 0.00 0.00 177.43 176.51 3led h ARG 244 N 0.00 0.00 -0.01 0.81 -0.00 -1.79 -1.09 114.38 112.30 3led h ARG 244 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 3led h ARG 244 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.09 3led h ARG 244 CO 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 179.97 179.88 3led n ALA 245 N -1.98 2.77 -3.05 0.08 0.00 -0.22 -4.27 120.51 113.84 3led n ALA 245 Ca -0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 53.44 52.91 3led n ALA 245 Cb 0.21 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 3led n ALA 245 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3led n TRP 246 N -0.52 -1.56 0.28 0.00 -0.00 -0.42 -5.02 117.44 110.19 3led n TRP 246 Ca 0.16 -2.84 0.16 0.00 -0.00 0.00 0.00 57.50 54.98 3led n TRP 246 Cb 0.30 0.42 0.92 0.00 -0.00 0.00 0.00 31.31 32.94 3led n TRP 246 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 3led h PRO 247 N 4.23 0.00 -0.61 5.87 0.11 -1.71 -1.27 132.00 138.61 3led h PRO 247 Ca 0.02 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.28 3led h PRO 247 Cb 0.94 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.02 3led h PRO 247 CO 0.38 0.00 0.42 1.49 -0.21 0.00 0.00 178.00 180.09 3led h GLU 248 N 0.00 0.16 -0.01 1.05 4.81 -1.95 -1.86 114.58 116.78 3led h GLU 248 Ca 0.02 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3led h GLU 248 Cb 0.10 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.45 3led h GLU 248 CO -0.00 0.11 -0.05 0.41 -0.73 0.00 0.00 179.01 178.75 3led n GLY 249 N -1.59 -0.13 0.25 1.92 0.00 -0.48 -4.60 105.19 100.55 3led n GLY 249 Ca 0.11 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.82 3led n GLY 249 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3led h ARG 250 N 2.11 0.00 -0.12 1.61 0.11 -1.46 -2.34 114.38 114.29 3led h ARG 250 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3led h ARG 250 Cb 0.50 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.58 3led h ARG 250 CO 0.00 0.14 0.00 -0.25 0.10 0.00 0.00 179.97 179.96 3led n ASP 251 N -3.33 2.77 -4.77 0.08 8.00 -1.26 -4.90 116.55 113.13 3led n ASP 251 Ca -0.00 -2.69 -0.32 0.00 0.71 0.00 0.00 54.79 52.49 3led n ASP 251 Cb 0.36 -0.34 0.06 0.00 -0.02 0.00 0.00 41.12 41.18 3led n ASP 251 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3led s LYS 252 N -2.21 2.66 0.62 -1.24 1.02 -0.88 -4.91 119.74 114.79 3led s LYS 252 Ca 0.27 1.33 0.36 0.00 0.02 0.00 0.00 55.97 57.96 3led s LYS 252 Cb 0.22 -1.94 2.04 0.00 -0.52 0.00 0.00 37.83 37.62 3led s LYS 252 CO 0.06 -1.35 2.28 0.00 -0.92 0.00 0.00 175.35 175.41 3led h ALA 253 N -0.27 1.23 0.00 5.17 0.00 -1.96 -1.02 119.26 122.42 3led h ALA 253 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3led h ALA 253 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3led h ALA 253 CO 0.53 0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.40 3led n ASP 254 N -3.44 0.00 -0.93 0.00 5.75 -1.26 -2.53 116.55 114.14 3led n ASP 254 Ca -0.03 -0.34 0.07 0.00 -0.01 0.00 0.00 54.79 54.48 3led n ASP 254 Cb 0.11 -0.15 0.21 0.00 -1.03 0.00 0.00 41.12 40.25 3led n ASP 254 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3led n LYS 255 N -1.15 2.31 -4.52 0.11 4.76 -0.39 -0.54 118.16 118.74 3led n LYS 255 Ca 0.13 -1.67 -0.26 0.00 -2.87 0.00 0.00 58.31 53.65 3led n LYS 255 Cb 0.13 -1.48 -0.08 0.00 -1.84 0.00 0.00 35.03 31.76 3led n LYS 255 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3led s LEU 256 N -1.14 2.01 0.09 -0.35 1.43 -1.05 -4.35 118.68 115.33 3led s LEU 256 Ca 0.30 -1.65 -0.33 0.00 -1.03 0.00 0.00 54.13 51.42 3led s LEU 256 Cb 0.18 -0.14 -0.12 0.00 0.03 0.00 0.00 46.19 46.13 3led s LEU 256 CO 0.18 -0.91 1.74 0.33 0.23 0.00 0.00 176.35 177.93 3led n PHE 257 N -0.91 2.42 -4.05 0.29 7.35 0.07 -4.42 117.46 118.21 3led n PHE 257 Ca -0.06 0.06 -0.29 0.00 -0.76 0.00 0.00 57.45 56.39 3led n PHE 257 Cb 0.65 -2.64 -0.17 0.00 0.35 0.00 0.00 39.48 37.68 3led n PHE 257 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3led s VAL 258 N 2.29 1.46 -0.03 -2.13 1.01 -0.39 -4.53 120.40 118.07 3led s VAL 258 Ca 0.83 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 62.29 3led s VAL 258 Cb -0.61 -1.38 -0.00 0.00 0.00 0.00 0.00 36.38 34.39 3led s VAL 258 CO 0.41 0.44 -0.15 -1.58 0.00 0.00 0.00 175.10 174.21 3led s GLN 259 N 1.47 1.54 -0.91 2.72 0.74 -1.26 -1.40 119.66 122.55 3led s GLN 259 Ca 0.04 -0.55 -0.14 0.00 0.05 0.00 0.00 55.36 54.76 3led s GLN 259 Cb -0.13 -1.38 0.21 0.00 1.10 0.00 0.00 33.01 32.82 3led s GLN 259 CO -0.09 0.24 0.91 -0.65 -0.55 0.00 0.00 175.29 175.15 3led s GLN 260 N -0.01 3.73 0.30 1.67 -0.21 -0.00 -4.95 119.66 120.19 3led s GLN 260 Ca -0.02 -2.50 0.04 0.00 0.02 0.00 0.00 55.36 52.91 3led s GLN 260 Cb -0.10 -4.55 0.47 0.00 1.00 0.00 0.00 33.01 29.83 3led s GLN 260 CO 0.01 -1.37 1.74 0.78 -2.12 0.00 0.00 175.29 174.33 3led h GLY 261 N 8.05 0.43 1.19 3.09 0.00 -1.96 -1.96 103.07 111.91 3led h GLY 261 Ca 0.14 -0.35 -0.17 0.00 0.00 0.00 0.00 47.33 46.95 3led h GLY 261 CO 0.87 0.32 -0.47 -0.09 0.00 0.00 0.00 176.54 177.17 3led h ARG 262 N 0.35 0.86 -0.61 4.80 2.43 -1.99 -1.29 114.38 118.93 3led h ARG 262 Ca 0.05 -0.50 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 3led h ARG 262 Cb 0.66 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 3led h ARG 262 CO 0.05 1.14 0.36 0.87 -1.51 0.00 0.00 179.97 180.87 3led h LYS 263 N 0.68 0.84 -0.27 0.20 1.57 -1.93 -0.87 116.57 116.81 3led h LYS 263 Ca 0.04 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3led h LYS 263 Cb 1.06 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 3led h LYS 263 CO 0.11 0.62 0.15 0.28 -0.57 0.00 0.00 179.45 180.03 3led h VAL 264 N 0.83 1.02 -0.10 0.50 2.07 -1.22 -0.57 116.25 118.79 3led h VAL 264 Ca 0.22 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.66 3led h VAL 264 Cb 0.01 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3led h VAL 264 CO -0.04 0.06 -0.05 0.15 0.02 0.00 0.00 177.57 177.71 3led h PHE 265 N 0.30 -0.12 -0.07 1.57 3.57 -1.02 0.11 116.94 121.29 3led h PHE 265 Ca 0.11 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 3led h PHE 265 Cb 0.01 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 3led h PHE 265 CO -0.08 -0.08 -0.40 0.87 -2.23 0.00 0.00 178.31 176.38 3led h LYS 266 N -0.04 0.14 0.10 1.11 1.79 -0.94 -3.05 116.57 115.69 3led h LYS 266 Ca 0.06 -0.06 -0.35 0.00 -2.18 0.00 0.00 60.65 58.11 3led h LYS 266 Cb 0.13 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 3led h LYS 266 CO -0.13 0.52 -1.93 0.39 -1.08 0.00 0.00 179.45 177.22 3led n GLU 267 N -4.04 0.73 0.08 3.15 1.02 -0.24 -4.40 120.64 116.94 3led n GLU 267 Ca -0.02 0.30 -0.12 0.00 -0.02 0.00 0.00 57.16 57.30 3led n GLU 267 Cb 0.46 -1.70 -0.05 0.00 -0.02 0.00 0.00 31.44 30.12 3led n GLU 267 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3led h VAL 268 N -0.09 1.47 0.04 2.62 2.07 -0.88 -3.05 116.25 118.43 3led h VAL 268 Ca -0.43 -2.69 0.02 0.00 0.82 0.00 0.00 66.70 64.43 3led h VAL 268 Cb 1.93 2.57 -0.03 0.00 -1.52 0.00 0.00 31.29 34.23 3led h VAL 268 CO 0.03 0.79 -0.20 0.58 0.02 0.00 0.00 177.57 178.79 3led h VAL 269 N 0.14 0.54 -0.14 2.57 2.07 -1.69 -0.62 116.25 119.11 3led h VAL 269 Ca -0.07 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.31 3led h VAL 269 Cb 1.64 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3led h VAL 269 CO 0.16 0.00 -0.51 1.55 0.02 0.00 0.00 177.57 178.79 3led h PRO 270 N -0.34 0.39 -0.37 1.57 0.13 -1.77 -1.43 132.00 130.19 3led h PRO 270 Ca 0.04 -0.23 0.07 0.00 -0.87 0.00 0.00 66.00 65.01 3led h PRO 270 Cb 0.40 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.48 3led h PRO 270 CO -0.15 0.81 -0.03 1.25 -0.23 0.00 0.00 178.00 179.65 3led h LEU 271 N 0.31 -0.21 -0.11 1.56 6.46 -1.37 -1.73 115.31 120.21 3led h LEU 271 Ca 0.01 0.09 -0.09 0.00 -0.12 0.00 0.00 57.88 57.77 3led h LEU 271 Cb 1.01 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 3led h LEU 271 CO 0.09 -0.07 -0.29 0.58 -0.62 0.00 0.00 178.44 178.13 3led h VAL 272 N 0.07 1.39 -0.71 1.05 2.07 -0.97 -3.25 116.25 115.89 3led h VAL 272 Ca 0.18 -1.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 3led h VAL 272 Cb 0.26 2.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 3led h VAL 272 CO -0.33 0.47 0.33 0.77 0.02 0.00 0.00 177.57 178.83 3led h SER 273 N -0.04 0.94 0.00 0.57 4.64 -1.20 -0.28 113.55 118.18 3led h SER 273 Ca -0.01 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3led h SER 273 Cb 0.91 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3led h SER 273 CO 0.06 0.82 0.00 -0.62 -0.87 0.00 0.00 176.83 176.22 3led n GLU 274 N -4.41 0.25 0.00 4.77 1.02 -0.66 -1.84 120.64 119.77 3led n GLU 274 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3led n GLU 274 Cb 0.14 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 3led n GLU 274 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3led n ILE 276 N 0.72 0.00 -0.17 -3.67 5.41 -0.12 -1.08 119.36 120.45 3led n ILE 276 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 3led n ILE 276 Cb 0.11 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.04 3led n ILE 276 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3led h ILE 277 N 0.00 1.23 -0.59 1.39 2.04 -1.62 -0.44 117.51 119.52 3led h ILE 277 Ca 0.00 -0.77 -0.08 0.00 1.00 0.00 0.00 64.86 65.01 3led h ILE 277 Cb 0.00 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3led h ILE 277 CO 0.00 0.28 0.06 -0.08 0.00 0.00 0.00 178.15 178.41 3led h GLU 278 N 0.64 1.01 -0.29 2.37 4.81 -1.36 -2.08 114.58 119.68 3led h GLU 278 Ca 0.15 -0.29 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 3led h GLU 278 Cb 0.28 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3led h GLU 278 CO -0.00 0.97 0.04 1.25 -0.73 0.00 0.00 179.01 180.54 3led h HIS 279 N 0.91 0.51 -0.50 0.92 2.76 -1.74 -1.29 115.15 116.72 3led h HIS 279 Ca 0.18 -0.07 0.09 0.00 -2.20 0.00 0.00 60.37 58.37 3led h HIS 279 Cb 0.47 -0.14 -0.08 0.00 1.55 0.00 0.00 27.41 29.21 3led h HIS 279 CO 0.03 0.58 0.04 0.00 -1.30 0.00 0.00 177.93 177.28 3led h ALA 280 N 0.87 0.51 -0.54 5.26 0.00 -0.99 -1.96 119.26 122.41 3led h ALA 280 Ca 0.09 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3led h ALA 280 Cb 0.34 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3led h ALA 280 CO 0.01 -0.36 0.35 0.00 0.00 0.00 0.00 179.25 179.24 3led h ARG 281 N 0.16 0.73 -0.97 0.00 2.47 -1.16 0.27 114.38 115.88 3led h ARG 281 Ca 0.25 -0.05 0.11 0.00 -1.26 0.00 0.00 59.98 59.03 3led h ARG 281 Cb 0.37 -0.16 -0.08 0.00 -1.65 0.00 0.00 29.97 28.45 3led h ARG 281 CO -0.38 0.50 0.62 0.93 0.56 0.00 0.00 179.97 182.20 3led h GLU 282 N 0.73 0.94 -0.64 0.04 5.08 -0.52 -2.38 114.58 117.83 3led h GLU 282 Ca 0.20 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3led h GLU 282 Cb -0.05 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 28.99 3led h GLU 282 CO -0.04 0.62 0.00 0.44 -1.00 0.00 0.00 179.01 179.03 3led n ILE 283 N -4.58 1.40 -1.68 3.13 -5.35 -0.83 -4.96 119.36 106.49 3led n ILE 283 Ca 0.18 -1.12 -0.04 0.00 -0.27 0.00 0.00 62.75 61.50 3led n ILE 283 Cb 0.34 0.32 -0.01 0.00 -1.74 0.00 0.00 39.64 38.55 3led n ILE 283 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3led n GLY 284 N 1.23 0.41 3.69 3.28 0.00 -0.68 -5.04 105.19 108.08 3led n GLY 284 Ca 0.24 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 3led n GLY 284 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3led s ILE 285 N -2.18 4.92 -0.42 -0.61 1.01 -0.00 -5.01 121.20 118.89 3led s ILE 285 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 60.65 60.40 3led s ILE 285 Cb 0.00 -3.19 0.02 0.00 0.01 0.00 0.00 42.46 39.30 3led s ILE 285 CO 0.00 0.50 0.93 -0.62 0.00 0.00 0.00 174.94 175.75 3led s ASP 286 N -0.02 6.57 0.61 3.58 -1.08 -1.26 -3.82 116.67 121.24 3led s ASP 286 Ca 0.07 0.31 0.36 0.00 -0.52 0.00 0.00 52.55 52.77 3led s ASP 286 Cb -0.12 -2.46 1.96 0.00 -1.46 0.00 0.00 42.92 40.84 3led s ASP 286 CO 0.01 -0.98 2.24 1.55 0.52 0.00 0.00 175.17 178.51 3led h PRO 287 N 8.84 0.00 0.00 4.34 0.13 -1.92 0.83 132.00 144.22 3led h PRO 287 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3led h PRO 287 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3led h PRO 287 CO 1.01 0.03 0.00 0.45 -0.23 0.00 0.00 178.00 179.26 3led h HIS 288 N 0.00 0.00 -0.40 1.56 3.86 -1.76 -2.62 115.15 115.79 3led h HIS 288 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3led h HIS 288 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 3led h HIS 288 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 3led n GLY 289 N -0.58 1.23 3.76 2.45 0.00 0.29 -4.95 105.19 107.38 3led n GLY 289 Ca -0.01 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 3led n GLY 289 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3led s LEU 290 N -1.27 4.36 0.07 0.99 1.43 -0.99 -4.73 118.68 118.54 3led s LEU 290 Ca 0.35 2.89 -0.13 0.00 -1.03 0.00 0.00 54.13 56.21 3led s LEU 290 Cb 0.19 -3.65 -0.25 0.00 0.03 0.00 0.00 46.19 42.52 3led s LEU 290 CO 0.26 -0.80 1.16 0.50 0.23 0.00 0.00 176.35 177.71 3led h LYS 291 N 4.03 0.64 0.00 1.70 1.63 -1.17 -3.49 116.57 119.91 3led h LYS 291 Ca -0.48 -0.76 0.00 0.00 -0.85 0.00 0.00 60.65 58.56 3led h LYS 291 Cb 1.23 0.23 0.00 0.00 -0.60 0.00 0.00 32.23 33.09 3led h LYS 291 CO 0.72 1.33 0.00 -2.13 -3.45 0.00 0.00 179.45 175.92 3led n ARG 292 N -3.81 0.00 -2.80 1.90 0.63 -1.19 -4.69 116.66 106.70 3led n ARG 292 Ca -0.12 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.81 3led n ARG 292 Cb 0.93 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.85 3led n ARG 292 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3led s TRP 294 N -2.68 -0.65 0.80 -0.14 0.51 0.72 -2.27 118.94 115.23 3led s TRP 294 Ca 0.00 -0.03 -0.09 0.00 -2.12 0.00 0.00 56.10 53.86 3led s TRP 294 Cb 0.00 0.12 0.13 0.00 -0.81 0.00 0.00 33.47 32.91 3led s TRP 294 CO 0.00 -0.47 1.13 -0.51 -0.51 0.00 0.00 176.95 176.59 3led s LEU 295 N 1.53 2.79 0.82 2.99 1.43 -1.26 -1.52 118.68 125.47 3led s LEU 295 Ca 0.19 0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.38 3led s LEU 295 Cb 0.05 -2.58 0.03 0.00 0.03 0.00 0.00 46.19 43.72 3led s LEU 295 CO -0.12 -2.07 0.75 1.57 0.23 0.00 0.00 176.35 176.71 3led n HIS 296 N -3.22 -0.19 -3.47 0.29 -0.00 0.50 -4.10 115.22 105.03 3led n HIS 296 Ca 0.12 0.34 -0.27 0.00 -0.00 0.00 0.00 57.72 57.91 3led n HIS 296 Cb 0.60 -1.95 -0.09 0.00 -0.00 0.00 0.00 29.99 28.55 3led n HIS 296 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 3led n GLN 297 N -2.00 1.89 0.00 1.57 1.13 -1.26 -4.76 117.38 113.95 3led n GLN 297 Ca 0.10 -4.26 0.00 0.00 -1.94 0.00 0.00 57.00 50.91 3led n GLN 297 Cb 0.51 -2.02 0.00 0.00 0.11 0.00 0.00 30.24 28.84 3led n GLN 297 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3led n ALA 298 N 1.30 1.88 -3.35 -1.58 0.00 -1.26 -3.78 120.51 113.73 3led n ALA 298 Ca 0.26 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.61 3led n ALA 298 Cb 0.43 0.26 -0.08 0.00 0.00 0.00 0.00 19.45 20.05 3led n ALA 298 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3led s ASN 299 N -3.19 0.21 0.53 0.00 3.84 -1.26 -4.72 114.94 110.34 3led s ASN 299 Ca 0.00 0.24 0.19 0.00 0.21 0.00 0.00 52.86 53.50 3led s ASN 299 Cb 0.00 1.14 1.34 0.00 -0.55 0.00 0.00 41.25 43.18 3led s ASN 299 CO 0.00 -0.30 2.12 -0.29 -2.79 0.00 0.00 177.10 175.84 3led h ILE 300 N 6.18 0.90 0.00 -5.21 2.10 -1.17 -2.53 117.51 117.78 3led h ILE 300 Ca -0.19 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.75 3led h ILE 300 Cb 1.16 0.93 0.00 0.00 -1.09 0.00 0.00 36.82 37.82 3led h ILE 300 CO 0.27 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 177.93 3led n ASN 301 N -4.45 0.64 0.00 2.19 4.13 -1.26 -1.15 115.26 115.36 3led n ASN 301 Ca 0.00 -0.64 0.00 0.00 1.68 0.00 0.00 54.58 55.62 3led n ASN 301 Cb 0.22 -0.16 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 3led n ASN 301 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3led n ASN 303 N 0.59 0.00 -0.14 6.41 4.13 -0.95 -3.17 115.26 122.12 3led n ASN 303 Ca 0.00 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.16 3led n ASN 303 Cb 0.12 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.35 3led n ASN 303 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3led h GLU 304 N 0.00 0.68 -0.08 3.52 5.08 -1.42 0.01 114.58 122.37 3led h GLU 304 Ca 0.00 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 3led h GLU 304 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3led h GLU 304 CO 0.00 0.72 -0.16 0.82 -1.00 0.00 0.00 179.01 179.39 3led h ILE 305 N 0.54 1.41 -0.52 3.13 2.04 -1.82 -2.10 117.51 120.19 3led h ILE 305 Ca 0.13 -1.47 -0.03 0.00 1.00 0.00 0.00 64.86 64.48 3led h ILE 305 Cb 0.37 2.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 3led h ILE 305 CO 0.01 0.42 0.20 0.40 0.00 0.00 0.00 178.15 179.17 3led h ILE 306 N -0.24 1.22 -0.60 -0.67 2.04 -1.86 -1.63 117.51 115.78 3led h ILE 306 Ca 0.00 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 3led h ILE 306 Cb 0.75 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 3led h ILE 306 CO 0.04 0.26 0.36 1.23 0.00 0.00 0.00 178.15 180.04 3led h GLY 307 N 0.70 0.87 1.02 5.37 0.00 -1.00 -0.41 103.07 109.61 3led h GLY 307 Ca 0.17 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 3led h GLY 307 CO -0.01 0.35 0.15 -0.09 0.00 0.00 0.00 176.54 176.93 3led h ARG 308 N 0.81 0.95 -0.53 4.80 2.43 -1.25 -1.27 114.38 120.33 3led h ARG 308 Ca 0.21 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3led h ARG 308 Cb -0.02 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3led h ARG 308 CO -0.04 0.88 0.22 -0.22 -1.51 0.00 0.00 179.97 179.29 3led h LYS 309 N 0.87 0.78 -0.21 0.20 1.63 -0.83 -0.38 116.57 118.63 3led h LYS 309 Ca 0.19 -0.14 -0.09 0.00 -0.85 0.00 0.00 60.65 59.76 3led h LYS 309 Cb 0.35 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.85 3led h LYS 309 CO 0.00 0.68 -0.23 0.28 -3.45 0.00 0.00 179.45 176.74 3led h VAL 310 N 0.71 1.33 0.00 2.00 2.07 -0.98 -3.25 116.25 118.12 3led h VAL 310 Ca 0.18 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.30 3led h VAL 310 Cb 0.19 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3led h VAL 310 CO -0.02 0.43 -0.30 0.25 0.02 0.00 0.00 177.57 177.96 3led h LEU 311 N 0.20 0.00 0.10 2.57 5.85 -1.21 -3.30 115.31 119.52 3led h LEU 311 Ca 0.03 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3led h LEU 311 Cb 0.78 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 3led h LEU 311 CO 0.06 0.02 -0.04 0.61 -0.34 0.00 0.00 178.44 178.74 3led n GLY 312 N 1.20 0.53 3.74 3.75 0.00 -0.16 -4.37 105.19 109.88 3led n GLY 312 Ca 0.03 -0.29 -0.06 0.00 0.00 0.00 0.00 46.02 45.71 3led n GLY 312 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3led s ARG 313 N -1.24 1.42 -0.15 1.61 1.70 -1.18 -5.05 118.95 116.07 3led s ARG 313 Ca 0.00 -0.75 -0.29 0.00 -0.47 0.00 0.00 55.73 54.22 3led s ARG 313 Cb 0.00 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.86 3led s ARG 313 CO 0.00 -0.65 1.50 -0.51 -1.08 0.00 0.00 175.30 174.56 3led s ASP 314 N -2.88 6.68 0.46 -2.89 1.01 -1.26 -4.35 116.67 113.43 3led s ASP 314 Ca 0.10 1.84 -0.24 0.00 0.71 0.00 0.00 52.55 54.96 3led s ASP 314 Cb -0.03 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.29 3led s ASP 314 CO 0.02 -0.97 1.23 -2.84 0.21 0.00 0.00 175.17 172.82 3led s PRO 315 N 4.05 3.73 1.01 8.23 0.02 -1.26 -5.04 135.00 145.74 3led s PRO 315 Ca 0.66 1.95 -0.13 0.00 0.02 0.00 0.00 61.00 63.51 3led s PRO 315 Cb -0.26 -2.49 0.20 0.00 0.02 0.00 0.00 34.50 31.96 3led s PRO 315 CO 0.24 -0.63 1.10 0.95 -0.33 0.00 0.00 177.00 178.33 3led s THR 316 N -1.42 2.00 0.36 0.99 -4.23 -1.26 -4.86 115.64 107.22 3led s THR 316 Ca 0.63 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.17 3led s THR 316 Cb -0.33 -2.50 0.24 0.00 1.34 0.00 0.00 72.50 71.25 3led s THR 316 CO 0.41 0.00 1.99 0.03 -0.54 0.00 0.00 174.62 176.51 3led h ARG 317 N -1.93 0.70 0.00 3.99 3.08 -1.96 -2.09 114.38 116.17 3led h ARG 317 Ca -0.55 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.32 3led h ARG 317 Cb 1.33 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 3led h ARG 317 CO 0.58 0.51 -0.55 -0.44 -1.07 0.00 0.00 179.97 178.99 3led h ASP 318 N 0.71 0.00 1.47 7.04 3.32 -1.99 -3.23 116.42 123.73 3led h ASP 318 Ca 0.18 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 3led h ASP 318 Cb 0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3led h ASP 318 CO -0.03 0.55 -0.47 -0.33 -1.72 0.00 0.00 179.24 177.24 3led h GLU 319 N 0.00 0.00 -3.35 3.56 5.08 -1.67 -3.41 114.58 114.79 3led h GLU 319 Ca -0.01 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 3led h GLU 319 Cb 1.00 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.84 3led h GLU 319 CO 0.07 0.47 -0.73 1.21 -1.00 0.00 0.00 179.01 179.02 3led s ASN 320 N -6.44 3.92 0.15 1.42 2.47 -1.01 -4.48 114.94 110.96 3led s ASN 320 Ca 0.04 -2.31 -0.30 0.00 0.42 0.00 0.00 52.86 50.71 3led s ASN 320 Cb 0.08 -1.08 -0.07 0.00 -1.45 0.00 0.00 41.25 38.72 3led s ASN 320 CO 0.74 -0.32 1.23 -0.69 -3.72 0.00 0.00 177.10 174.33 3led s VAL 321 N 0.75 3.63 -0.19 -5.21 1.01 -1.26 -4.80 120.40 114.34 3led s VAL 321 Ca 0.15 1.29 0.01 0.00 0.00 0.00 0.00 61.98 63.43 3led s VAL 321 Cb -0.22 -3.82 0.03 0.00 0.00 0.00 0.00 36.38 32.37 3led s VAL 321 CO -0.08 0.17 -0.16 -0.63 0.00 0.00 0.00 175.10 174.40 3led s ILE 322 N 0.38 1.94 -0.00 2.22 -1.09 -1.26 -4.62 121.20 118.77 3led s ILE 322 Ca 0.56 -1.03 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 3led s ILE 322 Cb -0.33 -1.85 -0.00 0.00 -1.58 0.00 0.00 42.46 38.70 3led s ILE 322 CO 0.34 0.37 0.24 2.30 -1.23 0.00 0.00 174.94 176.96 3led n ILE 323 N 4.62 0.00 0.31 2.92 -6.64 -1.26 -4.74 119.36 114.57 3led n ILE 323 Ca -0.18 -0.50 0.16 0.00 -1.77 0.00 0.00 62.75 60.46 3led n ILE 323 Cb 0.48 1.00 0.73 0.00 -1.44 0.00 0.00 39.64 40.41 3led n ILE 323 CO 0.00 0.00 0.00 0.17 -1.77 0.00 0.00 176.55 174.95 3led h LEU 324 N 0.00 0.00 -1.30 7.28 8.10 -1.85 -2.07 115.31 125.47 3led h LEU 324 Ca 0.00 0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.05 3led h LEU 324 Cb 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.17 3led h LEU 324 CO 0.00 0.00 0.51 -2.24 -4.11 0.00 0.00 178.44 172.60 3led h ASP 325 N 0.00 0.75 0.15 0.17 2.03 -1.85 -0.34 116.42 117.33 3led h ASP 325 Ca 0.00 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 55.94 3led h ASP 325 Cb 0.30 -0.16 -0.05 0.00 -0.83 0.00 0.00 39.33 38.60 3led h ASP 325 CO 0.00 0.50 -2.12 0.47 -1.03 0.00 0.00 179.24 177.05 3led n ASP 326 N -4.47 1.50 -0.16 4.15 8.00 -0.88 -1.16 116.55 123.53 3led n ASP 326 Ca 0.11 0.13 0.09 0.00 0.71 0.00 0.00 54.79 55.83 3led n ASP 326 Cb 0.19 -0.29 -0.07 0.00 -0.02 0.00 0.00 41.12 40.92 3led n ASP 326 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3led n TYR 327 N -3.22 0.00 -3.25 1.24 4.01 -0.83 -3.46 117.16 111.65 3led n TYR 327 Ca -0.33 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.41 3led n TYR 327 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 3led n TYR 327 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3led n ALA 328 N -0.97 0.00 -2.61 -0.72 0.00 -0.14 -4.09 120.51 111.98 3led n ALA 328 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 3led n ALA 328 Cb 0.34 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.73 3led n ALA 328 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3led s ASN 329 N -4.00 6.50 -0.25 0.00 2.47 0.50 -4.54 114.94 115.60 3led s ASN 329 Ca 0.00 0.51 0.13 0.00 0.42 0.00 0.00 52.86 53.92 3led s ASN 329 Cb 0.00 -2.32 0.60 0.00 -1.45 0.00 0.00 41.25 38.08 3led s ASN 329 CO 0.00 -0.40 1.56 0.35 -3.72 0.00 0.00 177.10 174.89 3led n THR 330 N 5.28 2.57 0.00 -5.21 -2.24 -1.26 -1.33 114.28 112.09 3led n THR 330 Ca -0.02 -2.00 0.00 0.00 -2.27 0.00 0.00 64.05 59.76 3led n THR 330 Cb 0.49 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 3led n THR 330 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3led n SER 331 N -0.53 0.00 -0.16 3.42 2.88 -1.26 -2.63 113.62 115.33 3led n SER 331 Ca 0.31 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.96 3led n SER 331 Cb 1.09 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 65.00 3led n SER 331 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3led h SER 332 N 0.00 0.50 1.63 -3.46 4.64 -1.67 -2.84 113.55 112.34 3led h SER 332 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3led h SER 332 Cb 0.00 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3led h SER 332 CO 0.00 0.29 0.00 0.00 -0.87 0.00 0.00 176.83 176.25 3led h ALA 333 N 1.64 1.00 -0.10 5.18 0.00 -1.79 -3.38 119.26 121.82 3led h ALA 333 Ca 0.34 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.28 3led h ALA 333 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3led h ALA 333 CO -0.12 0.00 -0.13 0.78 0.00 0.00 0.00 179.25 179.78 3led h GLY 334 N 3.45 -0.08 1.81 0.00 0.00 -1.69 0.27 103.07 106.84 3led h GLY 334 Ca 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 3led h GLY 334 CO 0.00 -0.14 -0.04 1.48 0.00 0.00 0.00 176.54 177.84 3led h SER 335 N -0.17 0.22 0.09 0.19 4.64 -1.76 -2.01 113.55 114.74 3led h SER 335 Ca 0.08 -0.03 -0.19 0.00 -0.47 0.00 0.00 61.79 61.18 3led h SER 335 Cb 0.29 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3led h SER 335 CO -0.20 0.30 -0.71 0.40 -0.87 0.00 0.00 176.83 175.76 3led h ILE 336 N 0.23 1.34 -0.42 0.95 1.08 -1.34 -1.46 117.51 117.89 3led h ILE 336 Ca 0.05 -2.02 0.02 0.00 -0.39 0.00 0.00 64.86 62.52 3led h ILE 336 Cb 0.24 2.00 -0.03 0.00 -3.07 0.00 0.00 36.82 35.96 3led h ILE 336 CO 0.01 0.62 0.24 0.40 -0.69 0.00 0.00 178.15 178.73 3led h ILE 337 N 0.39 1.03 -0.12 -0.67 2.04 -0.57 0.15 117.51 119.77 3led h ILE 337 Ca -0.03 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.67 3led h ILE 337 Cb 1.29 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3led h ILE 337 CO 0.13 0.09 0.04 0.00 0.00 0.00 0.00 178.15 178.41 3led h ALA 338 N 1.19 0.13 -0.27 1.87 0.00 -1.23 -0.37 119.26 120.58 3led h ALA 338 Ca 0.17 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3led h ALA 338 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3led h ALA 338 CO -0.08 -0.41 0.17 0.35 0.00 0.00 0.00 179.25 179.28 3led h PHE 339 N 0.10 0.33 -0.53 0.00 3.57 -1.06 -1.66 116.94 117.69 3led h PHE 339 Ca 0.05 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3led h PHE 339 Cb 0.03 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 3led h PHE 339 CO -0.10 0.20 0.30 1.25 -2.23 0.00 0.00 178.31 177.73 3led h HIS 340 N 0.36 0.72 0.00 0.41 2.76 -0.41 -3.19 115.15 115.80 3led h HIS 340 Ca 0.10 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 3led h HIS 340 Cb -0.03 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 28.70 3led h HIS 340 CO -0.06 0.52 -0.35 0.87 -1.30 0.00 0.00 177.93 177.60 3led h LYS 341 N 0.72 0.00 -2.04 5.26 1.57 -0.96 -3.40 116.57 117.71 3led h LYS 341 Ca 0.19 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.41 3led h LYS 341 Cb 0.03 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 31.94 3led h LYS 341 CO -0.03 0.00 -1.01 0.72 -0.57 0.00 0.00 179.45 178.56 3led n HIS 342 N -2.62 0.56 -1.64 -1.35 8.25 -0.63 -4.81 115.22 112.98 3led n HIS 342 Ca 0.03 -3.71 0.06 0.00 -0.26 0.00 0.00 57.72 53.84 3led n HIS 342 Cb 0.49 -0.40 0.11 0.00 1.12 0.00 0.00 29.99 31.31 3led n HIS 342 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3led n GLN 343 N 1.17 0.87 -2.32 -0.41 10.64 -1.25 -4.83 117.38 121.25 3led n GLN 343 Ca 0.23 -2.32 -0.31 0.00 -1.83 0.00 0.00 57.00 52.77 3led n GLN 343 Cb 0.51 -1.07 -0.02 0.00 -0.86 0.00 0.00 30.24 28.81 3led n GLN 343 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.06 175.39 3led s ASP 344 N -2.42 6.45 -0.33 2.61 1.47 -1.26 -4.98 116.67 118.20 3led s ASP 344 Ca 0.27 1.39 -0.10 0.00 1.18 0.00 0.00 52.55 55.29 3led s ASP 344 Cb 0.26 -2.44 0.01 0.00 -0.34 0.00 0.00 42.92 40.41 3led s ASP 344 CO -0.03 -0.65 0.37 0.47 0.68 0.00 0.00 175.17 176.01 3led n ASP 345 N -1.98 -7.04 -3.54 2.11 8.00 -1.26 -5.20 116.55 107.65 3led n ASP 345 Ca 0.05 0.65 -0.14 0.00 0.71 0.00 0.00 54.79 56.07 3led n ASP 345 Cb 0.54 -4.70 -0.05 0.00 -0.02 0.00 0.00 41.12 36.90 3led n ASP 345 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3led s ALA 347 N -2.10 -1.40 0.08 2.24 0.00 -1.26 -5.18 121.76 114.14 3led s ALA 347 Ca 0.15 0.60 -0.37 0.00 0.00 0.00 0.00 51.96 52.34 3led s ALA 347 Cb -0.04 0.48 -0.17 0.00 0.00 0.00 0.00 23.12 23.38 3led s ALA 347 CO 0.65 -0.56 1.25 0.94 0.00 0.00 0.00 175.76 178.04 3led n GLN 348 N 0.24 0.90 0.00 0.00 7.27 -1.26 -1.11 117.38 123.42 3led n GLN 348 Ca -0.18 0.32 0.00 0.00 0.07 0.00 0.00 57.00 57.22 3led n GLN 348 Cb 0.61 -1.91 0.00 0.00 2.41 0.00 0.00 30.24 31.35 3led n GLN 348 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3led n GLY 349 N 2.25 2.44 3.77 1.69 0.00 0.65 -4.97 105.19 111.02 3led n GLY 349 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3led n GLY 349 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3led s ASP 350 N -1.47 6.39 -0.11 1.61 1.01 -0.27 -4.64 116.67 119.19 3led s ASP 350 Ca 0.00 2.74 -0.08 0.00 0.71 0.00 0.00 52.55 55.92 3led s ASP 350 Cb 0.00 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 3led s ASP 350 CO 0.00 -0.81 0.17 -0.76 0.21 0.00 0.00 175.17 173.98 3led s LEU 351 N -2.26 4.40 0.22 1.23 1.43 -1.26 -1.26 118.68 121.17 3led s LEU 351 Ca 0.55 0.52 0.02 0.00 -1.03 0.00 0.00 54.13 54.19 3led s LEU 351 Cb -0.40 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.64 3led s LEU 351 CO 0.52 0.39 0.05 -0.83 0.23 0.00 0.00 176.35 176.72 3led s GLY 352 N -1.00 1.50 -0.07 -3.19 0.00 -0.15 -0.51 107.32 103.90 3led s GLY 352 Ca 0.16 -1.74 -0.00 0.00 0.00 0.00 0.00 44.72 43.13 3led s GLY 352 CO 0.05 -1.57 -0.03 -2.27 0.00 0.00 0.00 173.10 169.28 3led s LEU 353 N -3.25 0.95 -0.24 0.66 2.96 -0.96 -1.05 118.68 117.74 3led s LEU 353 Ca 0.31 -0.14 -0.10 0.00 -0.22 0.00 0.00 54.13 53.98 3led s LEU 353 Cb 0.07 -0.52 -0.05 0.00 0.50 0.00 0.00 46.19 46.19 3led s LEU 353 CO 0.09 -0.13 0.16 -0.63 -1.32 0.00 0.00 176.35 174.52 3led s ILE 354 N 1.56 5.28 -0.05 6.68 1.01 -0.06 -0.20 121.20 135.42 3led s ILE 354 Ca -0.01 0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.78 3led s ILE 354 Cb -0.13 -3.47 0.04 0.00 0.01 0.00 0.00 42.46 38.91 3led s ILE 354 CO -0.04 0.34 0.09 0.00 0.00 0.00 0.00 174.94 175.33 3led s SER 356 N 1.50 4.47 -0.20 0.00 1.04 -0.66 -0.37 113.70 119.48 3led s SER 356 Ca -0.05 -0.59 -0.28 0.00 0.48 0.00 0.00 55.95 55.51 3led s SER 356 Cb -0.12 -0.82 0.11 0.00 0.10 0.00 0.00 66.02 65.29 3led s SER 356 CO -0.04 0.05 0.94 0.72 0.98 0.00 0.00 173.24 175.88 3led s PHE 357 N -2.04 -0.49 0.00 5.02 -0.12 -1.26 -1.45 117.98 117.63 3led s PHE 357 Ca 0.29 1.03 0.00 0.00 -0.05 0.00 0.00 56.93 58.20 3led s PHE 357 Cb -0.08 0.39 0.00 0.00 -0.63 0.00 0.00 43.02 42.71 3led s PHE 357 CO 0.18 -0.34 0.00 0.41 -0.05 0.00 0.00 175.22 175.42 3led n GLY 358 N 1.50 -0.57 3.73 1.99 0.00 -0.43 -4.80 105.19 106.60 3led n GLY 358 Ca -0.13 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 3led n GLY 358 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3led n ALA 359 N 0.00 1.72 0.00 4.61 0.00 -1.26 -1.38 120.51 124.20 3led n ALA 359 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3led n ALA 359 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.13 3led n ALA 359 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3led n GLY 360 N 0.70 1.49 3.73 0.00 0.00 -1.26 -3.20 105.19 106.65 3led n GLY 360 Ca 0.04 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 3led n GLY 360 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3led s TYR 361 N 0.00 2.10 0.02 1.61 4.12 0.31 -1.18 117.35 124.33 3led s TYR 361 Ca 0.00 1.55 0.01 0.00 0.02 0.00 0.00 57.07 58.65 3led s TYR 361 Cb 0.00 -3.54 -0.02 0.00 -1.52 0.00 0.00 41.96 36.88 3led s TYR 361 CO 0.00 -2.65 -0.05 -1.54 0.02 0.00 0.00 175.55 171.33 3led s SER 362 N -1.78 0.49 -0.07 2.29 1.04 -0.48 -1.37 113.70 113.81 3led s SER 362 Ca 0.77 -0.43 -0.15 0.00 0.48 0.00 0.00 55.95 56.62 3led s SER 362 Cb -0.32 0.05 0.03 0.00 0.10 0.00 0.00 66.02 65.89 3led s SER 362 CO 0.42 -0.20 0.37 0.00 0.98 0.00 0.00 173.24 174.81 3led s ALA 363 N -1.16 -0.92 -0.04 5.32 0.00 -0.05 -1.32 121.76 123.58 3led s ALA 363 Ca -0.10 0.73 -0.04 0.00 0.00 0.00 0.00 51.96 52.55 3led s ALA 363 Cb -0.08 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.80 3led s ALA 363 CO -0.00 -0.23 0.12 0.20 0.00 0.00 0.00 175.76 175.84 3led s GLY 364 N -0.63 -0.09 -0.04 0.00 0.00 -0.53 -1.06 107.32 104.97 3led s GLY 364 Ca -0.07 0.33 0.06 0.00 0.00 0.00 0.00 44.72 45.03 3led s GLY 364 CO 0.03 0.28 -0.19 -0.51 0.00 0.00 0.00 173.10 172.71 3led s THR 365 N 0.05 2.62 -0.24 0.90 -4.23 0.11 -1.65 115.64 113.20 3led s THR 365 Ca -0.00 -0.89 -0.02 0.00 -1.18 0.00 0.00 61.69 59.59 3led s THR 365 Cb -0.01 -1.98 0.08 0.00 1.34 0.00 0.00 72.50 71.93 3led s THR 365 CO 0.00 0.59 0.06 -0.69 -0.54 0.00 0.00 174.62 174.04 3led s VAL 366 N -0.68 0.64 0.01 2.29 1.01 0.24 -1.70 120.40 122.21 3led s VAL 366 Ca 0.11 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 60.96 3led s VAL 366 Cb -0.10 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 3led s VAL 366 CO -0.00 -0.41 0.71 -0.36 0.00 0.00 0.00 175.10 175.04 3led s PHE 367 N 1.78 3.69 0.15 5.22 0.08 -0.53 -0.88 117.98 127.48 3led s PHE 367 Ca 0.03 1.36 0.05 0.00 0.12 0.00 0.00 56.93 58.49 3led s PHE 367 Cb -0.17 -2.76 -0.04 0.00 -0.57 0.00 0.00 43.02 39.47 3led s PHE 367 CO -0.16 0.26 -0.11 0.14 -0.10 0.00 0.00 175.22 175.25 3led s VAL 368 N 0.06 1.22 -0.02 -0.44 -7.23 -0.22 -0.63 120.40 113.14 3led s VAL 368 Ca 0.36 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.49 3led s VAL 368 Cb -0.19 -1.83 0.01 0.00 0.56 0.00 0.00 36.38 34.93 3led s VAL 368 CO 0.21 -0.71 -0.01 -1.58 -0.31 0.00 0.00 175.10 172.69 3led s GLN 369 N -3.66 0.27 0.03 4.82 0.74 -0.62 -0.98 119.66 120.27 3led s GLN 369 Ca 0.16 -0.01 -0.30 0.00 0.05 0.00 0.00 55.36 55.26 3led s GLN 369 Cb 0.02 -0.36 -0.06 0.00 1.10 0.00 0.00 33.01 33.71 3led s GLN 369 CO 0.01 -0.04 1.33 0.21 -0.55 0.00 0.00 175.29 176.25 3led s LYS 370 N 0.50 4.33 0.00 1.67 2.20 -0.39 -0.70 119.74 127.35 3led s LYS 370 Ca -0.05 1.91 0.29 0.00 -0.36 0.00 0.00 55.97 57.77 3led s LYS 370 Cb -0.08 -3.45 1.35 0.00 -1.51 0.00 0.00 37.83 34.15 3led s LYS 370 CO -0.01 -0.46 1.92 0.54 -0.36 0.00 0.00 175.35 176.98