#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3he0 h LYS 9 N 0.00 0.11 -0.58 -0.67 1.79 -2.04 0.54 116.57 115.72 3he0 h LYS 9 Ca 0.00 -0.03 0.09 0.00 -2.18 0.00 0.00 60.65 58.54 3he0 h LYS 9 Cb 0.00 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.56 3he0 h LYS 9 CO 0.00 0.30 0.19 -0.09 -1.08 0.00 0.00 179.45 178.77 3he0 h ARG 10 N -0.10 0.34 -0.28 3.15 2.43 -1.99 -1.08 114.38 116.85 3he0 h ARG 10 Ca 0.02 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 3he0 h ARG 10 Cb 0.24 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3he0 h ARG 10 CO 0.00 0.23 -0.34 -0.44 -1.51 0.00 0.00 179.97 177.91 3he0 h ASP 11 N 0.35 0.63 -0.58 -3.80 3.32 -1.96 -1.06 116.42 113.32 3he0 h ASP 11 Ca 0.29 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 57.09 3he0 h ASP 11 Cb 0.38 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 3he0 h ASP 11 CO -0.32 0.92 0.38 1.56 -1.72 0.00 0.00 179.24 180.07 3he0 h GLN 12 N 0.51 0.76 -0.50 3.56 4.20 0.40 -0.30 115.11 123.74 3he0 h GLN 12 Ca 0.06 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 3he0 h GLN 12 Cb 0.83 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 3he0 h GLN 12 CO 0.07 0.50 0.15 0.82 -0.67 0.00 0.00 178.83 179.70 3he0 h ILE 13 N 0.78 1.23 -0.86 2.54 2.04 -0.78 -0.48 117.51 121.98 3he0 h ILE 13 Ca 0.22 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 3he0 h ILE 13 Cb -0.08 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 3he0 h ILE 13 CO -0.05 0.29 0.44 0.25 0.00 0.00 0.00 178.15 179.08 3he0 h LEU 14 N 0.67 1.10 -0.29 1.44 5.85 -0.92 0.34 115.31 123.51 3he0 h LEU 14 Ca 0.16 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 3he0 h LEU 14 Cb 0.29 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3he0 h LEU 14 CO -0.00 0.91 -0.23 0.00 -0.34 0.00 0.00 178.44 178.78 3he0 h ALA 15 N 1.26 0.42 -0.95 1.25 0.00 -0.73 -1.39 119.26 119.12 3he0 h ALA 15 Ca 0.30 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3he0 h ALA 15 Cb 0.07 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3he0 h ALA 15 CO -0.04 0.39 0.63 0.00 0.00 0.00 0.00 179.25 180.22 3he0 h ALA 16 N 0.72 1.33 -0.07 0.00 0.00 -0.63 0.09 119.26 120.70 3he0 h ALA 16 Ca 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3he0 h ALA 16 Cb 0.78 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3he0 h ALA 16 CO 0.06 0.62 0.04 0.00 0.00 0.00 0.00 179.25 179.97 3he0 h ALA 17 N 1.41 0.09 -0.87 0.00 0.00 -0.60 -0.67 119.26 118.61 3he0 h ALA 17 Ca 0.35 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3he0 h ALA 17 Cb -0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3he0 h ALA 17 CO -0.08 -0.39 0.54 0.93 0.00 0.00 0.00 179.25 180.25 3he0 h GLU 18 N 0.04 1.18 -0.55 0.00 5.08 -0.77 -0.85 114.58 118.72 3he0 h GLU 18 Ca 0.02 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3he0 h GLU 18 Cb 0.05 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 3he0 h GLU 18 CO -0.00 0.81 0.26 0.37 -1.00 0.00 0.00 179.01 179.45 3he0 h GLN 19 N 1.20 0.79 -0.64 2.33 5.75 -0.52 0.43 115.11 124.44 3he0 h GLN 19 Ca 0.32 -0.12 -0.07 0.00 -0.15 0.00 0.00 58.65 58.63 3he0 h GLN 19 Cb -0.07 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.31 3he0 h GLN 19 CO -0.06 0.65 0.12 -0.07 -2.65 0.00 0.00 178.83 176.82 3he0 h LEU 20 N 0.74 0.99 -0.53 -2.39 3.38 -0.60 -1.04 115.31 115.86 3he0 h LEU 20 Ca 0.19 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3he0 h LEU 20 Cb 0.12 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3he0 h LEU 20 CO -0.02 0.98 0.12 0.40 0.09 0.00 0.00 178.44 180.00 3he0 h ILE 21 N 0.98 1.25 -0.89 1.22 2.04 -0.87 0.28 117.51 121.52 3he0 h ILE 21 Ca 0.20 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 65.19 3he0 h ILE 21 Cb 0.40 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 3he0 h ILE 21 CO 0.01 0.32 0.59 0.00 0.00 0.00 0.00 178.15 179.07 3he0 h ALA 22 N 1.00 1.37 -0.03 1.87 0.00 -0.26 0.45 119.26 123.66 3he0 h ALA 22 Ca 0.16 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 3he0 h ALA 22 Cb 0.35 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3he0 h ALA 22 CO 0.00 0.58 -0.78 0.93 0.00 0.00 0.00 179.25 179.98 3he0 h GLU 23 N 1.20 0.59 0.00 0.00 5.08 -0.75 -3.42 114.58 117.27 3he0 h GLU 23 Ca 0.33 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3he0 h GLU 23 Cb -0.13 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3he0 h GLU 23 CO -0.07 1.21 0.00 0.43 -1.00 0.00 0.00 179.01 179.57 3he0 n SER 24 N -4.04 0.49 -0.57 1.42 7.64 0.93 -5.10 113.62 114.38 3he0 n SER 24 Ca -0.10 -1.17 0.01 0.00 1.01 0.00 0.00 58.87 58.63 3he0 n SER 24 Cb 0.76 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.95 3he0 n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3he0 n GLY 25 N -0.08 -1.54 0.17 0.23 0.00 0.15 -2.57 105.19 101.55 3he0 n GLY 25 Ca 0.00 -1.21 0.14 0.00 0.00 0.00 0.00 46.02 44.95 3he0 n GLY 25 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3he0 h PHE 26 N -0.09 0.00 0.00 1.61 0.04 -1.84 -3.06 116.94 113.60 3he0 h PHE 26 Ca 0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 3he0 h PHE 26 Cb 0.09 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 3he0 h PHE 26 CO 0.00 0.00 -0.63 1.96 -0.60 0.00 0.00 178.31 179.04 3he0 h GLN 27 N 0.00 0.00 -0.02 1.51 4.20 -1.98 -3.02 115.11 115.80 3he0 h GLN 27 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3he0 h GLN 27 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3he0 h GLN 27 CO 0.00 0.16 -0.02 0.41 -0.67 0.00 0.00 178.83 178.71 3he0 n GLY 28 N 1.20 0.31 3.46 3.46 0.00 -1.06 -4.75 105.19 107.80 3he0 n GLY 28 Ca 0.00 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 45.06 3he0 n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3he0 s LEU 29 N -2.02 4.84 0.00 0.99 2.96 -1.14 -4.91 118.68 119.40 3he0 s LEU 29 Ca 0.34 -1.84 0.00 0.00 -0.22 0.00 0.00 54.13 52.41 3he0 s LEU 29 Cb 0.21 -2.41 0.00 0.00 0.50 0.00 0.00 46.19 44.48 3he0 s LEU 29 CO 0.33 -1.15 0.00 -1.54 -1.32 0.00 0.00 176.35 172.67 3he0 n SER 30 N 6.89 0.00 0.00 3.68 3.41 -1.26 -5.01 113.62 121.32 3he0 n SER 30 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 3he0 n SER 30 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3he0 n SER 30 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3he0 n GLN 32 N 0.00 0.00 -0.31 4.33 7.27 -1.26 -1.33 117.38 126.08 3he0 n GLN 32 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.08 3he0 n GLN 32 Cb 0.00 0.00 0.15 0.00 2.41 0.00 0.00 30.24 32.80 3he0 n GLN 32 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 3he0 h LYS 33 N 0.00 0.93 -0.41 3.69 1.57 -1.97 -2.04 116.57 118.33 3he0 h LYS 33 Ca 0.00 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3he0 h LYS 33 Cb 0.00 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 3he0 h LYS 33 CO 0.00 0.61 0.12 1.25 -0.57 0.00 0.00 179.45 180.87 3he0 h LEU 34 N 0.95 0.61 -0.78 2.94 5.85 -1.56 0.84 115.31 124.17 3he0 h LEU 34 Ca 0.38 -0.21 0.14 0.00 0.84 0.00 0.00 57.88 59.03 3he0 h LEU 34 Cb 0.21 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 40.98 3he0 h LEU 34 CO -0.19 0.66 0.35 0.00 -0.34 0.00 0.00 178.44 178.93 3he0 h ALA 35 N 0.97 1.12 -0.03 1.25 0.00 -1.74 0.21 119.26 121.04 3he0 h ALA 35 Ca 0.13 0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.90 3he0 h ALA 35 Cb 0.27 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.11 3he0 h ALA 35 CO -0.00 -0.15 -0.94 -0.97 0.00 0.00 0.00 179.25 177.19 3he0 h ASN 36 N 0.53 0.74 -0.34 0.00 -0.73 -0.98 0.21 115.58 115.01 3he0 h ASN 36 Ca 0.42 -0.57 -0.11 0.00 1.87 0.00 0.00 56.30 57.92 3he0 h ASN 36 Cb 0.60 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.95 3he0 h ASN 36 CO -0.37 1.36 -0.18 -0.08 -0.37 0.00 0.00 177.43 177.79 3he0 h GLU 37 N 0.35 0.81 -0.00 6.67 4.57 -0.21 -2.84 114.58 123.92 3he0 h GLU 37 Ca -0.09 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 3he0 h GLU 37 Cb 1.57 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.12 3he0 h GLU 37 CO 0.18 0.93 -0.25 0.00 -1.18 0.00 0.00 179.01 178.68 3he0 n ALA 38 N -2.50 3.03 -1.96 2.92 0.00 0.68 -4.94 120.51 117.75 3he0 n ALA 38 Ca 0.01 -0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.04 3he0 n ALA 38 Cb 0.41 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 3he0 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3he0 n GLY 39 N 1.39 0.25 3.63 0.00 0.00 -0.19 -4.96 105.19 105.31 3he0 n GLY 39 Ca 0.10 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 3he0 n GLY 39 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3he0 s VAL 40 N -2.42 1.99 0.45 1.61 -7.23 0.57 -5.01 120.40 110.36 3he0 s VAL 40 Ca 0.00 -1.98 -0.20 0.00 -1.81 0.00 0.00 61.98 57.99 3he0 s VAL 40 Cb 0.00 -2.97 -0.10 0.00 0.56 0.00 0.00 36.38 33.87 3he0 s VAL 40 CO 0.00 0.00 0.97 0.00 -0.31 0.00 0.00 175.10 175.76 3he0 s ALA 41 N -2.71 3.00 0.35 1.32 0.00 -1.26 -4.29 121.76 118.17 3he0 s ALA 41 Ca 0.34 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.75 3he0 s ALA 41 Cb 0.09 -3.17 0.62 0.00 0.00 0.00 0.00 23.12 20.66 3he0 s ALA 41 CO 0.18 -0.00 2.01 0.00 0.00 0.00 0.00 175.76 177.94 3he0 h ALA 42 N 1.74 1.54 -0.95 0.00 0.00 -1.95 -1.22 119.26 118.43 3he0 h ALA 42 Ca -0.49 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 54.57 3he0 h ALA 42 Cb 1.19 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 3he0 h ALA 42 CO 0.61 0.43 0.61 0.78 0.00 0.00 0.00 179.25 181.67 3he0 h GLY 43 N 0.88 1.27 1.29 0.00 0.00 -2.00 -1.19 103.07 103.32 3he0 h GLY 43 Ca 0.24 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 3he0 h GLY 43 CO -0.05 -0.02 0.11 -0.84 0.00 0.00 0.00 176.54 175.74 3he0 h THR 44 N 0.58 1.24 0.30 4.70 2.02 -1.61 -1.02 112.91 119.12 3he0 h THR 44 Ca 0.52 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 3he0 h THR 44 Cb 1.04 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 3he0 h THR 44 CO -0.26 0.33 -0.14 0.40 0.37 0.00 0.00 175.52 176.22 3he0 h ILE 45 N 0.85 0.72 -0.26 3.11 2.04 -1.27 -1.56 117.51 121.13 3he0 h ILE 45 Ca 0.18 -0.07 0.08 0.00 1.00 0.00 0.00 64.86 66.05 3he0 h ILE 45 Cb 0.34 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3he0 h ILE 45 CO 0.00 0.02 0.20 1.88 0.00 0.00 0.00 178.15 180.25 3he0 h TYR 46 N -0.43 0.00 -0.10 1.37 0.05 -1.19 -0.36 116.97 116.32 3he0 h TYR 46 Ca -0.04 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.70 3he0 h TYR 46 Cb 0.33 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.07 3he0 h TYR 46 CO -0.05 0.00 -0.09 -0.09 -1.05 0.00 0.00 178.16 176.88 3he0 h ARG 47 N 0.00 0.23 0.00 4.88 2.43 -0.62 -3.34 114.38 117.96 3he0 h ARG 47 Ca 0.13 -0.12 -0.20 0.00 -0.81 0.00 0.00 59.98 58.97 3he0 h ARG 47 Cb 0.53 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 3he0 h ARG 47 CO -0.00 0.65 -1.02 1.88 -1.51 0.00 0.00 179.97 179.97 3he0 h TYR 48 N -0.17 0.00 -1.98 2.20 0.05 -0.53 -3.45 116.97 113.10 3he0 h TYR 48 Ca 0.02 0.00 -0.58 0.00 0.05 0.00 0.00 58.73 58.22 3he0 h TYR 48 Cb 0.60 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.21 3he0 h TYR 48 CO 0.09 0.91 -0.59 -0.06 -1.05 0.00 0.00 178.16 177.45 3he0 s PHE 49 N -2.74 2.27 -0.17 4.88 0.40 -0.22 -5.05 117.98 117.35 3he0 s PHE 49 Ca 0.01 -0.80 0.20 0.00 -0.60 0.00 0.00 56.93 55.73 3he0 s PHE 49 Cb 0.09 -1.59 -0.09 0.00 0.51 0.00 0.00 43.02 41.94 3he0 s PHE 49 CO 0.81 0.27 0.88 0.43 0.70 0.00 0.00 175.22 178.31 3he0 n SER 50 N -0.91 0.78 -3.70 1.36 7.64 -1.26 -4.22 113.62 113.30 3he0 n SER 50 Ca -0.05 0.32 0.02 0.00 1.01 0.00 0.00 58.87 60.17 3he0 n SER 50 Cb 0.67 0.43 0.00 0.00 -1.01 0.00 0.00 64.21 64.31 3he0 n SER 50 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3he0 s ASP 51 N -5.50 -0.02 0.25 6.43 3.84 -1.26 -4.83 116.67 115.58 3he0 s ASP 51 Ca -0.02 -0.14 -0.02 0.00 -0.00 0.00 0.00 52.55 52.37 3he0 s ASP 51 Cb 0.09 0.13 0.31 0.00 -1.38 0.00 0.00 42.92 42.07 3he0 s ASP 51 CO 0.81 -0.25 1.71 0.50 -0.00 0.00 0.00 175.17 177.94 3he0 h LYS 52 N 2.00 0.71 -0.43 2.11 3.64 -1.98 -1.68 116.57 120.94 3he0 h LYS 52 Ca -0.27 -0.24 0.02 0.00 -1.27 0.00 0.00 60.65 58.89 3he0 h LYS 52 Cb 1.19 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 3he0 h LYS 52 CO 0.30 0.81 0.24 1.49 -2.27 0.00 0.00 179.45 180.03 3he0 h GLU 53 N 0.64 0.48 -0.18 1.90 4.81 -1.98 0.24 114.58 120.49 3he0 h GLU 53 Ca 0.11 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.12 3he0 h GLU 53 Cb 0.59 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3he0 h GLU 53 CO 0.04 0.32 -0.65 0.45 -0.73 0.00 0.00 179.01 178.44 3he0 h HIS 54 N 0.49 0.87 -0.62 0.92 3.86 -1.90 -0.26 115.15 118.52 3he0 h HIS 54 Ca 0.17 -0.35 0.09 0.00 -1.16 0.00 0.00 60.37 59.12 3he0 h HIS 54 Cb 0.03 -0.15 -0.07 0.00 1.06 0.00 0.00 27.41 28.28 3he0 h HIS 54 CO -0.08 1.14 0.27 1.25 0.86 0.00 0.00 177.93 181.37 3he0 h LEU 55 N 0.49 0.31 -0.73 2.43 5.85 -1.10 -1.72 115.31 120.83 3he0 h LEU 55 Ca -0.02 0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.65 3he0 h LEU 55 Cb 1.24 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 3he0 h LEU 55 CO 0.13 0.19 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.07 3he0 h LEU 56 N 0.48 0.67 -0.74 2.25 3.38 -0.48 -0.69 115.31 120.18 3he0 h LEU 56 Ca 0.31 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3he0 h LEU 56 Cb 0.34 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3he0 h LEU 56 CO -0.27 0.92 0.15 -0.33 0.09 0.00 0.00 178.44 179.00 3he0 h GLU 57 N 0.57 1.11 -0.38 1.13 4.39 -0.79 -1.07 114.58 119.54 3he0 h GLU 57 Ca 0.07 -0.27 -0.07 0.00 0.34 0.00 0.00 59.36 59.43 3he0 h GLU 57 Cb 0.77 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 3he0 h GLU 57 CO 0.06 0.99 -0.04 0.93 -1.16 0.00 0.00 179.01 179.79 3he0 h GLU 58 N 1.05 0.63 0.17 2.33 5.08 -0.82 -0.85 114.58 122.17 3he0 h GLU 58 Ca 0.21 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3he0 h GLU 58 Cb 0.39 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3he0 h GLU 58 CO 0.01 0.68 -0.08 0.28 -1.00 0.00 0.00 179.01 178.90 3he0 h VAL 59 N 0.59 0.89 -0.57 3.13 2.07 -0.82 -0.75 116.25 120.78 3he0 h VAL 59 Ca 0.12 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.47 3he0 h VAL 59 Cb 0.44 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 3he0 h VAL 59 CO 0.02 0.05 0.29 0.03 0.02 0.00 0.00 177.57 177.99 3he0 h ARG 60 N -0.33 0.54 -0.31 1.57 3.08 -0.92 0.32 114.38 118.33 3he0 h ARG 60 Ca -0.02 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 3he0 h ARG 60 Cb 0.26 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3he0 h ARG 60 CO 0.04 0.36 -0.21 -0.07 -1.07 0.00 0.00 179.97 179.01 3he0 h LEU 61 N 0.56 0.59 -0.16 3.04 3.38 -1.09 -0.06 115.31 121.56 3he0 h LEU 61 Ca 0.26 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3he0 h LEU 61 Cb 0.18 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3he0 h LEU 61 CO -0.18 0.80 0.00 -1.13 0.09 0.00 0.00 178.44 178.02 3he0 h ASN 62 N 0.52 0.27 -0.53 -0.43 -0.73 -0.28 -1.41 115.58 112.99 3he0 h ASN 62 Ca 0.08 -0.31 -0.08 0.00 1.87 0.00 0.00 56.30 57.86 3he0 h ASN 62 Cb 0.66 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 39.15 3he0 h ASN 62 CO 0.05 0.52 0.02 0.58 -0.37 0.00 0.00 177.43 178.22 3he0 h VAL 63 N 0.03 1.26 -0.64 2.57 2.07 -0.83 -2.13 116.25 118.57 3he0 h VAL 63 Ca 0.05 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.44 3he0 h VAL 63 Cb 0.37 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3he0 h VAL 63 CO 0.01 0.38 0.18 0.00 0.02 0.00 0.00 177.57 178.16 3he0 h ALA 64 N 0.96 0.84 -0.67 1.67 0.00 -0.91 -0.41 119.26 120.74 3he0 h ALA 64 Ca 0.15 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3he0 h ALA 64 Cb 0.50 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3he0 h ALA 64 CO 0.02 0.53 0.20 -0.22 0.00 0.00 0.00 179.25 179.79 3he0 h LYS 65 N 0.94 1.04 -0.30 0.00 3.64 -1.08 0.18 116.57 120.98 3he0 h LYS 65 Ca 0.21 -0.22 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 3he0 h LYS 65 Cb 0.32 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3he0 h LYS 65 CO -0.00 0.89 -0.51 0.00 -2.27 0.00 0.00 179.45 177.56 3he0 h ARG 66 N 1.00 0.87 -0.35 1.90 3.08 -0.94 -0.67 114.38 119.27 3he0 h ARG 66 Ca 0.22 -0.53 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 3he0 h ARG 66 Cb 0.30 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3he0 h ARG 66 CO -0.01 1.17 0.19 0.82 -1.07 0.00 0.00 179.97 181.07 3he0 h ILE 67 N 0.68 1.14 -0.84 2.04 1.08 -0.71 -1.57 117.51 119.33 3he0 h ILE 67 Ca 0.02 -0.39 -0.03 0.00 -0.39 0.00 0.00 64.86 64.08 3he0 h ILE 67 Cb 1.12 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 35.59 3he0 h ILE 67 CO 0.12 0.15 0.43 0.00 -0.69 0.00 0.00 178.15 178.15 3he0 h ALA 68 N 1.05 1.08 -0.66 1.87 0.00 -0.54 0.23 119.26 122.29 3he0 h ALA 68 Ca 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3he0 h ALA 68 Cb 0.07 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3he0 h ALA 68 CO -0.02 0.63 0.39 1.03 0.00 0.00 0.00 179.25 181.27 3he0 h SER 69 N 1.19 0.80 -0.18 0.00 0.87 -0.92 -1.82 113.55 113.48 3he0 h SER 69 Ca 0.29 -0.07 -0.17 0.00 -1.23 0.00 0.00 61.79 60.61 3he0 h SER 69 Cb 0.08 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 3he0 h SER 69 CO -0.04 0.64 -0.54 0.00 -0.53 0.00 0.00 176.83 176.36 3he0 h ALA 70 N 1.20 0.31 -0.49 6.23 0.00 -0.22 -2.26 119.26 124.03 3he0 h ALA 70 Ca 0.24 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 3he0 h ALA 70 Cb -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3he0 h ALA 70 CO -0.04 0.52 0.12 0.28 0.00 0.00 0.00 179.25 180.13 3he0 h VAL 71 N 0.39 1.21 -0.64 0.00 2.07 -0.40 -2.86 116.25 116.02 3he0 h VAL 71 Ca -0.02 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3he0 h VAL 71 Cb 1.16 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3he0 h VAL 71 CO 0.12 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.99 3he0 n GLN 72 N -4.29 3.06 -1.97 1.57 6.02 -0.70 -4.77 117.38 116.31 3he0 n GLN 72 Ca 0.03 -2.65 -0.42 0.00 -0.01 0.00 0.00 57.00 53.95 3he0 n GLN 72 Cb 0.21 -1.63 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 3he0 n GLN 72 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3he0 s ALA 73 N -1.31 3.71 -0.35 -1.58 0.00 -0.85 -2.29 121.76 119.10 3he0 s ALA 73 Ca 0.46 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.77 3he0 s ALA 73 Cb 0.26 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3he0 s ALA 73 CO 0.28 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.68 3he0 n GLY 74 N 3.10 0.60 3.61 0.00 0.00 -1.26 -4.99 105.19 106.25 3he0 n GLY 74 Ca 0.11 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 3he0 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3he0 s VAL 75 N -1.92 5.16 -0.19 1.61 1.01 -0.97 -5.05 120.40 120.05 3he0 s VAL 75 Ca 0.00 0.64 -0.04 0.00 0.00 0.00 0.00 61.98 62.58 3he0 s VAL 75 Cb 0.00 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 3he0 s VAL 75 CO 0.00 0.15 -0.02 0.21 0.00 0.00 0.00 175.10 175.44 3he0 s ASN 76 N 1.56 4.68 0.52 3.32 3.84 -1.26 -5.01 114.94 122.59 3he0 s ASN 76 Ca 0.17 -0.23 0.23 0.00 0.21 0.00 0.00 52.86 53.23 3he0 s ASN 76 Cb -0.16 -1.79 1.41 0.00 -0.55 0.00 0.00 41.25 40.16 3he0 s ASN 76 CO 0.10 0.07 2.11 0.44 -2.79 0.00 0.00 177.10 177.02 3he0 h ASP 77 N 7.46 0.00 0.00 -4.21 3.32 -2.00 -3.46 116.42 117.53 3he0 h ASP 77 Ca -0.36 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.19 3he0 h ASP 77 Cb 1.18 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.75 3he0 h ASP 77 CO 0.61 0.09 2.93 0.47 -1.72 0.00 0.00 179.24 181.62 3he0 n ASP 78 N -3.99 5.56 -4.88 6.45 8.00 -1.26 -5.01 116.55 121.41 3he0 n ASP 78 Ca -0.02 -2.46 -0.30 0.00 0.71 0.00 0.00 54.79 52.71 3he0 n ASP 78 Cb 0.18 -1.25 -0.04 0.00 -0.02 0.00 0.00 41.12 39.99 3he0 n ASP 78 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3he0 s PRO 80 N 3.27 3.74 0.18 -0.24 0.02 -1.26 -5.16 135.00 135.55 3he0 s PRO 80 Ca 0.50 0.29 -0.18 0.00 0.02 0.00 0.00 61.00 61.62 3he0 s PRO 80 Cb 0.13 -2.51 0.14 0.00 0.02 0.00 0.00 34.50 32.28 3he0 s PRO 80 CO -0.03 0.10 1.62 -0.07 -0.33 0.00 0.00 177.00 178.29 3he0 h LEU 81 N 1.58 -0.80 -0.98 -5.54 3.38 -1.98 -1.65 115.31 109.33 3he0 h LEU 81 Ca -0.47 0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 3he0 h LEU 81 Cb 1.19 0.43 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 3he0 h LEU 81 CO 0.65 -0.25 -0.38 0.50 0.09 0.00 0.00 178.44 179.05 3he0 h LYS 82 N -0.12 0.00 -0.13 1.13 3.64 -2.01 -1.54 116.57 117.54 3he0 h LYS 82 Ca 0.23 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 3he0 h LYS 82 Cb 0.48 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3he0 h LYS 82 CO -0.57 0.38 -0.07 0.93 -2.27 0.00 0.00 179.45 177.84 3he0 h GLU 83 N 0.00 0.29 -0.62 1.90 4.39 -1.75 -0.34 114.58 118.45 3he0 h GLU 83 Ca -0.00 -0.13 0.07 0.00 0.34 0.00 0.00 59.36 59.64 3he0 h GLU 83 Cb 0.88 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.46 3he0 h GLU 83 CO 0.05 0.63 0.31 0.00 -1.16 0.00 0.00 179.01 178.84 3he0 h ARG 84 N -0.06 0.55 -0.15 2.33 3.08 -1.34 -0.77 114.38 118.01 3he0 h ARG 84 Ca 0.03 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.08 3he0 h ARG 84 Cb 0.55 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 3he0 h ARG 84 CO 0.02 0.36 -0.07 -0.92 -1.07 0.00 0.00 179.97 178.29 3he0 h TYR 85 N 0.56 -0.17 -0.38 3.04 3.20 -1.19 -2.88 116.97 119.16 3he0 h TYR 85 Ca 0.29 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 3he0 h TYR 85 Cb 0.25 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 3he0 h TYR 85 CO -0.11 -0.11 0.21 0.00 -1.64 0.00 0.00 178.16 176.51 3he0 h ARG 86 N -0.05 0.53 0.00 1.82 3.08 -0.72 0.10 114.38 119.13 3he0 h ARG 86 Ca 0.08 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3he0 h ARG 86 Cb 0.18 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3he0 h ARG 86 CO -0.19 0.43 0.00 2.41 -1.07 0.00 0.00 179.97 181.55 3he0 n THR 87 N -4.75 0.00 0.00 2.04 -1.04 -0.32 -1.79 114.28 108.42 3he0 n THR 87 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3he0 n THR 87 Cb 0.08 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.56 3he0 n THR 87 CO 0.00 0.00 0.00 1.87 -0.64 0.00 0.00 175.07 176.30 3he0 n TRP 89 N 0.41 0.00 0.01 -1.42 -0.00 0.02 -0.77 117.44 115.69 3he0 n TRP 89 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.37 3he0 n TRP 89 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 31.29 3he0 n TRP 89 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 3he0 h LEU 90 N 0.00 0.71 -0.66 5.87 3.38 -1.61 -1.13 115.31 121.89 3he0 h LEU 90 Ca 0.00 -0.46 0.10 0.00 0.09 0.00 0.00 57.88 57.61 3he0 h LEU 90 Cb 0.00 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.46 3he0 h LEU 90 CO 0.00 1.23 0.27 0.78 0.09 0.00 0.00 178.44 180.81 3he0 h ASN 91 N 0.42 0.29 -0.42 -0.43 2.35 -1.20 0.13 115.58 116.72 3he0 h ASN 91 Ca -0.04 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3he0 h ASN 91 Cb 1.33 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.73 3he0 h ASN 91 CO 0.14 0.16 0.22 0.40 -1.65 0.00 0.00 177.43 176.70 3he0 h ILE 92 N 0.46 1.16 -0.71 2.81 2.04 -1.78 -2.21 117.51 119.28 3he0 h ILE 92 Ca 0.33 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.80 3he0 h ILE 92 Cb 0.41 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 3he0 h ILE 92 CO -0.31 0.17 0.43 -0.25 0.00 0.00 0.00 178.15 178.20 3he0 h TRP 93 N 0.55 0.80 0.00 1.37 2.91 -0.63 -1.22 115.95 119.72 3he0 h TRP 93 Ca 0.15 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.19 3he0 h TRP 93 Cb 0.08 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 28.47 3he0 h TRP 93 CO -0.02 0.43 0.00 0.09 -1.03 0.00 0.00 178.44 177.91 3he0 n ASN 94 N -4.69 0.37 0.22 2.65 5.03 -0.02 -2.70 115.26 116.11 3he0 n ASN 94 Ca 0.08 0.55 0.09 0.00 0.87 0.00 0.00 54.58 56.17 3he0 n ASN 94 Cb 0.12 -0.64 0.47 0.00 -1.02 0.00 0.00 39.78 38.71 3he0 n ASN 94 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3he0 h LEU 95 N 0.00 0.00 -9.71 3.41 3.38 -0.61 -3.45 115.31 108.32 3he0 h LEU 95 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3he0 h LEU 95 Cb 0.52 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.36 3he0 h LEU 95 CO 0.00 0.26 0.69 0.00 0.09 0.00 0.00 178.44 179.48 3he0 n ALA 96 N -2.27 1.70 -0.41 1.53 0.00 -1.10 -1.54 120.51 118.42 3he0 n ALA 96 Ca -0.01 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3he0 n ALA 96 Cb 0.41 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.52 3he0 n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3he0 n GLY 97 N 1.79 1.94 3.86 0.00 0.00 -1.26 -4.91 105.19 106.60 3he0 n GLY 97 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3he0 n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3he0 s SER 98 N -3.46 6.27 0.33 1.61 1.04 -0.59 -4.90 113.70 114.00 3he0 s SER 98 Ca 0.00 1.47 0.03 0.00 0.48 0.00 0.00 55.95 57.93 3he0 s SER 98 Cb 0.00 -2.48 0.56 0.00 0.10 0.00 0.00 66.02 64.20 3he0 s SER 98 CO 0.00 -0.84 1.87 -1.13 0.98 0.00 0.00 173.24 174.12 3he0 h ASN 99 N -0.03 0.57 -0.64 7.02 -1.24 -1.95 -0.08 115.58 119.22 3he0 h ASN 99 Ca -0.45 -0.10 -0.05 0.00 0.71 0.00 0.00 56.30 56.41 3he0 h ASN 99 Cb 1.19 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 40.06 3he0 h ASN 99 CO 0.61 0.60 0.21 0.25 -1.29 0.00 0.00 177.43 177.82 3he0 h LEU 100 N 0.59 0.93 -0.76 0.34 5.85 -1.92 -1.89 115.31 118.45 3he0 h LEU 100 Ca 0.13 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 3he0 h LEU 100 Cb 0.29 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3he0 h LEU 100 CO 0.00 0.88 -0.15 -1.13 -0.34 0.00 0.00 178.44 177.70 3he0 h ASN 101 N 0.92 0.78 0.02 1.25 -1.24 -1.64 -1.34 115.58 114.33 3he0 h ASN 101 Ca 0.21 -0.25 0.03 0.00 0.71 0.00 0.00 56.30 56.99 3he0 h ASN 101 Cb 0.28 -0.21 -0.05 0.00 0.73 0.00 0.00 38.32 39.07 3he0 h ASN 101 CO -0.01 0.94 -0.45 0.00 -1.29 0.00 0.00 177.43 176.63 3he0 h ALA 102 N 1.13 -0.74 -0.74 1.57 0.00 -0.81 0.02 119.26 119.68 3he0 h ALA 102 Ca 0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3he0 h ALA 102 Cb 0.65 0.78 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 3he0 h ALA 102 CO 0.05 -1.00 0.33 0.82 0.00 0.00 0.00 179.25 179.45 3he0 h ILE 103 N -0.61 1.24 0.10 0.00 2.04 -1.01 -2.78 117.51 116.49 3he0 h ILE 103 Ca 0.04 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 3he0 h ILE 103 Cb 0.68 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3he0 h ILE 103 CO -0.32 0.30 -0.05 -1.28 0.00 0.00 0.00 178.15 176.80 3he0 h SER 104 N 1.07 -0.11 -0.65 1.72 0.87 -1.08 -2.63 113.55 112.73 3he0 h SER 104 Ca 0.25 -0.34 0.09 0.00 -1.23 0.00 0.00 61.79 60.57 3he0 h SER 104 Cb 0.15 0.03 -0.10 0.00 -0.44 0.00 0.00 62.40 62.03 3he0 h SER 104 CO -0.03 0.30 -0.27 0.59 -0.53 0.00 0.00 176.83 176.89 3he0 n ASN 105 N -4.96 -0.46 0.25 6.23 3.02 -0.02 -0.81 115.26 118.51 3he0 n ASN 105 Ca -0.09 1.13 0.14 0.00 -0.03 0.00 0.00 54.58 55.74 3he0 n ASN 105 Cb 0.23 -0.24 0.50 0.00 -0.61 0.00 0.00 39.78 39.65 3he0 n ASN 105 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3he0 h ARG 106 N 0.00 0.00 -6.23 3.52 3.08 -1.27 -3.52 114.38 109.96 3he0 h ARG 106 Ca 0.21 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.77 3he0 h ARG 106 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3he0 h ARG 106 CO -0.64 0.05 -0.37 0.14 -1.07 0.00 0.00 179.97 178.08 3he0 s VAL 107 N -3.53 5.23 0.00 2.04 -7.23 0.01 -4.70 120.40 112.22 3he0 s VAL 107 Ca 0.03 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.48 3he0 s VAL 107 Cb 0.08 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 33.21 3he0 s VAL 107 CO 0.60 -0.30 0.00 0.41 -0.31 0.00 0.00 175.10 175.50 3he0 n THR 116 N -1.18 0.00 -3.32 5.32 -1.04 -1.26 -4.90 114.28 107.90 3he0 n THR 116 Ca -0.07 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.75 3he0 n THR 116 Cb 0.56 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.06 3he0 n THR 116 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3he0 s ARG 117 N -2.00 2.80 0.17 -2.82 1.81 -1.26 -5.02 118.95 112.62 3he0 s ARG 117 Ca 0.00 -1.28 -0.05 0.00 -1.72 0.00 0.00 55.73 52.68 3he0 s ARG 117 Cb 0.00 -2.64 0.04 0.00 -0.45 0.00 0.00 34.95 31.89 3he0 s ARG 117 CO 0.00 -0.15 1.45 -0.91 -0.68 0.00 0.00 175.30 175.01 3he0 h ASN 118 N 0.85 0.70 -0.27 0.23 2.35 -2.05 -2.66 115.58 114.72 3he0 h ASN 118 Ca -0.42 -0.40 -0.11 0.00 -0.55 0.00 0.00 56.30 54.82 3he0 h ASN 118 Cb 1.27 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 3he0 h ASN 118 CO 0.51 1.14 -0.20 0.50 -1.65 0.00 0.00 177.43 177.73 3he0 h LYS 119 N 0.46 0.74 0.01 0.81 1.63 -1.99 -0.39 116.57 117.83 3he0 h LYS 119 Ca -0.01 -0.29 -0.00 0.00 -0.85 0.00 0.00 60.65 59.51 3he0 h LYS 119 Cb 1.18 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 3he0 h LYS 119 CO 0.12 0.89 -0.00 1.15 -3.45 0.00 0.00 179.45 178.15 3he0 h THR 120 N 0.65 1.16 -0.64 1.00 2.02 -1.95 -1.13 112.91 114.02 3he0 h THR 120 Ca 0.09 -0.50 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 3he0 h THR 120 Cb 0.70 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.58 3he0 h THR 120 CO 0.05 0.13 0.39 -0.25 0.37 0.00 0.00 175.52 176.21 3he0 h TRP 121 N -0.23 0.84 -0.28 3.16 -0.00 -1.32 0.77 115.95 118.88 3he0 h TRP 121 Ca -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 58.89 58.90 3he0 h TRP 121 Cb 0.22 -0.28 -0.02 0.00 -0.00 0.00 0.00 29.16 29.09 3he0 h TRP 121 CO -0.00 0.57 0.16 1.49 -0.00 0.00 0.00 178.44 180.66 3he0 h GLU 122 N 0.86 0.33 -0.80 2.65 4.81 -0.95 0.18 114.58 121.65 3he0 h GLU 122 Ca 0.23 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3he0 h GLU 122 Cb -0.03 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 3he0 h GLU 122 CO -0.04 0.22 0.47 -0.07 -0.73 0.00 0.00 179.01 178.85 3he0 h LEU 123 N 0.34 0.97 -0.44 1.64 3.38 -1.00 -2.55 115.31 117.65 3he0 h LEU 123 Ca 0.11 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3he0 h LEU 123 Cb 0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3he0 h LEU 123 CO -0.06 0.76 0.07 -0.33 0.09 0.00 0.00 178.44 178.97 3he0 h GLU 124 N 1.10 0.74 -0.87 1.13 5.08 -0.13 -2.95 114.58 118.68 3he0 h GLU 124 Ca 0.29 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3he0 h GLU 124 Cb -0.02 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 3he0 h GLU 124 CO -0.05 0.77 0.46 -0.09 -1.00 0.00 0.00 179.01 179.10 3he0 h ARG 125 N 0.60 1.21 -2.19 2.33 2.43 -0.54 -3.26 114.38 114.96 3he0 h ARG 125 Ca 0.13 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3he0 h ARG 125 Cb 0.39 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3he0 h ARG 125 CO 0.01 0.90 0.08 1.63 -1.51 0.00 0.00 179.97 181.08 3he0 n LYS 126 N -4.33 0.00 -0.14 0.20 5.02 -0.97 -3.63 118.16 114.30 3he0 n LYS 126 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 3he0 n LYS 126 Cb 0.11 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3he0 n LYS 126 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3he0 n PHE 128 N 2.07 0.00 -0.11 2.13 3.72 -1.23 -4.86 117.46 119.18 3he0 n PHE 128 Ca 0.00 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.46 3he0 n PHE 128 Cb 0.00 0.00 0.39 0.00 -0.94 0.00 0.00 39.48 38.93 3he0 n PHE 128 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3he0 h ALA 129 N 0.46 1.72 -0.12 4.37 0.00 -1.92 -1.12 119.26 122.66 3he0 h ALA 129 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3he0 h ALA 129 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3he0 h ALA 129 CO 0.00 0.20 -0.22 1.96 0.00 0.00 0.00 179.25 181.20 3he0 h GLN 130 N 0.67 0.21 -0.30 0.00 4.20 -1.94 -0.26 115.11 117.69 3he0 h GLN 130 Ca 0.25 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.81 3he0 h GLN 130 Cb 0.15 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3he0 h GLN 130 CO -0.07 0.43 -0.16 0.28 -0.67 0.00 0.00 178.83 178.63 3he0 h VAL 131 N 0.19 1.29 -0.64 -0.54 2.07 -1.63 -1.86 116.25 115.14 3he0 h VAL 131 Ca 0.03 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 3he0 h VAL 131 Cb 0.50 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3he0 h VAL 131 CO 0.03 0.41 0.27 0.44 0.02 0.00 0.00 177.57 178.74 3he0 h ASP 132 N 0.39 0.87 -0.09 0.57 3.32 -1.14 -2.29 116.42 118.06 3he0 h ASP 132 Ca 0.06 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 3he0 h ASP 132 Cb 0.69 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3he0 h ASP 132 CO 0.05 0.79 -0.11 0.03 -1.72 0.00 0.00 179.24 178.28 3he0 h ARG 133 N 0.90 0.40 0.37 3.56 3.08 -0.92 0.15 114.38 121.92 3he0 h ARG 133 Ca 0.22 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3he0 h ARG 133 Cb 0.18 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3he0 h ARG 133 CO -0.02 0.52 -0.18 1.25 -1.07 0.00 0.00 179.97 180.47 3he0 h LEU 134 N 0.38 -0.42 -0.73 3.04 5.85 -0.86 -0.34 115.31 122.22 3he0 h LEU 134 Ca 0.07 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 3he0 h LEU 134 Cb 0.43 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3he0 h LEU 134 CO 0.02 -0.28 -0.22 -0.26 -0.34 0.00 0.00 178.44 177.36 3he0 h PHE 135 N -0.52 0.83 -0.37 1.25 0.04 -1.07 -1.37 116.94 115.74 3he0 h PHE 135 Ca -0.05 -0.18 -0.11 0.00 2.80 0.00 0.00 57.97 60.42 3he0 h PHE 135 Cb 0.39 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 3he0 h PHE 135 CO -0.05 0.89 -0.20 -0.91 -0.60 0.00 0.00 178.31 177.44 3he0 h ASN 136 N 0.65 0.81 -0.41 2.17 2.35 -0.63 -1.58 115.58 118.94 3he0 h ASN 136 Ca 0.09 -0.42 -0.06 0.00 -0.55 0.00 0.00 56.30 55.36 3he0 h ASN 136 Cb 0.71 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 3he0 h ASN 136 CO 0.05 1.05 0.02 -0.61 -1.65 0.00 0.00 177.43 176.29 3he0 h GLN 137 N 0.57 0.72 -0.52 0.81 4.15 -0.96 0.00 115.11 119.88 3he0 h GLN 137 Ca 0.08 -0.22 -0.04 0.00 0.77 0.00 0.00 58.65 59.23 3he0 h GLN 137 Cb 0.76 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.35 3he0 h GLN 137 CO 0.06 0.79 0.14 0.78 -1.93 0.00 0.00 178.83 178.67 3he0 h GLY 138 N 0.56 0.85 0.91 2.39 0.00 -1.17 0.42 103.07 107.03 3he0 h GLY 138 Ca 0.12 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 3he0 h GLY 138 CO 0.02 0.44 -0.19 0.50 0.00 0.00 0.00 176.54 177.31 3he0 h LYS 139 N 0.77 0.61 -0.14 4.80 1.57 -1.08 0.18 116.57 123.27 3he0 h LYS 139 Ca 0.17 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 3he0 h LYS 139 Cb 0.26 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3he0 h LYS 139 CO -0.00 0.88 -0.12 0.93 -0.57 0.00 0.00 179.45 180.56 3he0 h GLU 140 N 0.34 0.23 -0.02 3.15 5.08 -0.64 -1.81 114.58 120.91 3he0 h GLU 140 Ca 0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3he0 h GLU 140 Cb 0.74 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3he0 h GLU 140 CO 0.05 0.36 0.00 0.39 -1.00 0.00 0.00 179.01 178.81 3he0 n GLU 141 N -4.28 1.26 -1.00 2.33 1.02 0.11 -4.90 120.64 115.17 3he0 n GLU 141 Ca -0.01 -0.38 -0.00 0.00 -0.02 0.00 0.00 57.16 56.76 3he0 n GLU 141 Cb 0.26 -1.46 -0.00 0.00 -0.02 0.00 0.00 31.44 30.22 3he0 n GLU 141 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3he0 n GLY 142 N 1.03 0.47 0.09 0.62 0.00 -0.68 -4.93 105.19 101.80 3he0 n GLY 142 Ca 0.21 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 3he0 n GLY 142 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3he0 h VAL 143 N 0.00 1.45 -3.28 1.61 2.07 -0.91 -3.45 116.25 113.75 3he0 h VAL 143 Ca -0.00 -2.36 -0.53 0.00 0.82 0.00 0.00 66.70 64.63 3he0 h VAL 143 Cb 0.06 3.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 3he0 h VAL 143 CO 0.00 0.59 -0.14 -0.36 0.02 0.00 0.00 177.57 177.68 3he0 s PHE 144 N -2.33 3.46 0.47 1.57 0.08 -0.63 -1.70 117.98 118.90 3he0 s PHE 144 Ca -0.20 0.71 -0.25 0.00 0.12 0.00 0.00 56.93 57.31 3he0 s PHE 144 Cb 0.01 -2.15 -0.08 0.00 -0.57 0.00 0.00 43.02 40.23 3he0 s PHE 144 CO 0.71 0.22 1.42 0.15 -0.10 0.00 0.00 175.22 177.62 3he0 s LYS 145 N -3.26 3.59 -1.44 0.44 1.02 -0.09 -4.57 119.74 115.43 3he0 s LYS 145 Ca 0.45 2.39 -0.12 0.00 0.02 0.00 0.00 55.97 58.71 3he0 s LYS 145 Cb -0.11 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 3he0 s LYS 145 CO 0.27 -0.89 2.53 -0.35 -0.92 0.00 0.00 175.35 175.99 3he0 n PRO 146 N -0.34 3.07 -4.21 -1.68 -0.04 -1.26 -4.87 135.00 125.67 3he0 n PRO 146 Ca 0.06 -2.28 -0.24 0.00 -0.04 0.00 0.00 63.50 61.01 3he0 n PRO 146 Cb 0.42 -2.98 -0.07 0.00 -0.04 0.00 0.00 33.50 30.83 3he0 n PRO 146 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3he0 s LEU 147 N 1.06 3.14 0.49 1.53 1.43 -1.26 -5.11 118.68 119.96 3he0 s LEU 147 Ca 0.57 -0.86 -0.23 0.00 -1.03 0.00 0.00 54.13 52.58 3he0 s LEU 147 Cb 0.15 -1.57 -0.07 0.00 0.03 0.00 0.00 46.19 44.73 3he0 s LEU 147 CO -0.06 -0.26 1.33 -0.67 0.23 0.00 0.00 176.35 176.92 3he0 n ASP 148 N -1.05 2.69 -0.25 2.29 2.03 -1.26 -4.76 116.55 116.24 3he0 n ASP 148 Ca -0.04 1.04 0.01 0.00 0.52 0.00 0.00 54.79 56.32 3he0 n ASP 148 Cb 0.62 -1.55 0.23 0.00 -0.72 0.00 0.00 41.12 39.69 3he0 n ASP 148 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 3he0 h ASN 149 N 1.77 0.91 -0.53 1.67 4.21 -1.98 0.10 115.58 121.74 3he0 h ASN 149 Ca -0.50 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 56.97 3he0 h ASN 149 Cb 1.30 -0.22 -0.03 0.00 -1.12 0.00 0.00 38.32 38.24 3he0 h ASN 149 CO 0.58 0.65 0.26 -0.33 -1.29 0.00 0.00 177.43 177.31 3he0 h GLU 150 N 1.07 0.80 -0.06 0.81 4.39 -1.98 0.14 114.58 119.75 3he0 h GLU 150 Ca 0.30 -0.10 -0.22 0.00 0.34 0.00 0.00 59.36 59.68 3he0 h GLU 150 Cb -0.09 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 28.42 3he0 h GLU 150 CO -0.07 0.63 -0.81 0.28 -1.16 0.00 0.00 179.01 177.88 3he0 h VAL 151 N 0.80 1.32 -0.57 3.13 2.07 -1.32 -0.33 116.25 121.35 3he0 h VAL 151 Ca 0.20 -2.07 -0.00 0.00 0.82 0.00 0.00 66.70 65.64 3he0 h VAL 151 Cb 0.10 2.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 3he0 h VAL 151 CO -0.02 0.64 0.34 -0.07 0.02 0.00 0.00 177.57 178.47 3he0 h LEU 152 N 0.31 0.69 -0.31 2.57 3.38 -0.61 -0.91 115.31 120.43 3he0 h LEU 152 Ca -0.08 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3he0 h LEU 152 Cb 1.47 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 3he0 h LEU 152 CO 0.16 0.55 0.15 -1.28 0.09 0.00 0.00 178.44 178.11 3he0 h SER 153 N 0.77 0.41 -0.68 -0.43 0.87 -0.71 -2.56 113.55 111.21 3he0 h SER 153 Ca 0.20 -0.13 0.14 0.00 -1.23 0.00 0.00 61.79 60.78 3he0 h SER 153 Cb -0.01 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 61.81 3he0 h SER 153 CO -0.04 0.42 0.46 1.23 -0.53 0.00 0.00 176.83 178.37 3he0 h GLY 154 N 0.36 0.50 1.48 5.77 0.00 -0.57 -2.57 103.07 108.05 3he0 h GLY 154 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3he0 h GLY 154 CO -0.01 0.05 -0.46 1.41 0.00 0.00 0.00 176.54 177.52 3he0 h LEU 155 N 0.31 0.00 0.00 3.11 3.38 -0.79 -3.39 115.31 117.93 3he0 h LEU 155 Ca 0.33 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3he0 h LEU 155 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3he0 h LEU 155 CO -0.08 0.03 0.00 -1.54 0.09 0.00 0.00 178.44 176.94 3he0 n SER 156 N -2.58 0.00 -0.18 -0.43 3.41 -1.03 -4.69 113.62 108.12 3he0 n SER 156 Ca 0.03 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.76 3he0 n SER 156 Cb 0.50 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.90 3he0 n SER 156 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3he0 h PHE 157 N 0.00 0.60 0.00 7.33 0.04 -1.70 0.15 116.94 123.36 3he0 h PHE 157 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3he0 h PHE 157 Cb 0.00 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 37.96 3he0 h PHE 157 CO 0.00 0.25 0.00 0.93 -0.60 0.00 0.00 178.31 178.89 3he0 h GLU 158 N 0.53 0.00 -0.14 1.51 4.39 -1.70 0.49 114.58 119.67 3he0 h GLU 158 Ca 0.37 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.88 3he0 h GLU 158 Cb 0.68 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.33 3he0 h GLU 158 CO -0.13 0.00 -0.66 0.00 -1.16 0.00 0.00 179.01 177.06 3he0 h ALA 159 N 2.07 0.57 -0.33 3.43 0.00 -0.93 -1.93 119.26 122.14 3he0 h ALA 159 Ca 0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 3he0 h ALA 159 Cb 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3he0 h ALA 159 CO 0.00 0.72 0.19 1.03 0.00 0.00 0.00 179.25 181.18 3he0 h SER 160 N 0.40 0.41 -0.48 0.00 0.87 -0.84 -2.12 113.55 111.79 3he0 h SER 160 Ca -0.02 -0.07 0.06 0.00 -1.23 0.00 0.00 61.79 60.53 3he0 h SER 160 Cb 1.24 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 63.04 3he0 h SER 160 CO 0.12 0.36 0.19 0.58 -0.53 0.00 0.00 176.83 177.56 3he0 h VAL 161 N 0.42 0.87 -0.17 2.23 2.07 -1.28 0.17 116.25 120.56 3he0 h VAL 161 Ca 0.12 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 3he0 h VAL 161 Cb 0.04 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3he0 h VAL 161 CO -0.02 0.07 -0.07 0.00 0.02 0.00 0.00 177.57 177.57 3he0 h ALA 162 N 1.30 0.24 -0.19 1.67 0.00 -1.11 0.09 119.26 121.25 3he0 h ALA 162 Ca 0.22 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3he0 h ALA 162 Cb 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3he0 h ALA 162 CO -0.21 0.04 -0.03 -0.07 0.00 0.00 0.00 179.25 178.98 3he0 h LEU 163 N 0.03 0.36 -0.88 0.00 3.38 -1.31 -2.43 115.31 114.47 3he0 h LEU 163 Ca 0.04 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.68 3he0 h LEU 163 Cb 0.54 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 3he0 h LEU 163 CO 0.02 0.62 0.58 0.00 0.09 0.00 0.00 178.44 179.76 3he0 h ALA 164 N 0.75 1.13 0.48 1.53 0.00 -0.55 -0.47 119.26 122.12 3he0 h ALA 164 Ca 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3he0 h ALA 164 Cb 0.46 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3he0 h ALA 164 CO 0.02 0.49 -0.27 -0.09 0.00 0.00 0.00 179.25 179.40 3he0 h ARG 165 N 1.17 -0.67 -0.71 0.00 2.43 -0.78 0.28 114.38 116.10 3he0 h ARG 165 Ca 0.33 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.63 3he0 h ARG 165 Cb -0.10 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 3he0 h ARG 165 CO -0.08 -0.45 0.47 0.87 -1.51 0.00 0.00 179.97 179.27 3he0 h LYS 166 N -0.69 0.63 -0.24 0.20 1.57 -1.18 -0.31 116.57 116.55 3he0 h LYS 166 Ca -0.06 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 3he0 h LYS 166 Cb 0.56 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3he0 h LYS 166 CO 0.08 0.42 -0.16 1.25 -0.57 0.00 0.00 179.45 180.46 3he0 h HIS 167 N 0.65 0.62 -0.12 -1.35 2.76 -0.66 -1.28 115.15 115.77 3he0 h HIS 167 Ca 0.32 -0.17 -0.07 0.00 -2.20 0.00 0.00 60.37 58.25 3he0 h HIS 167 Cb 0.40 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 3he0 h HIS 167 CO -0.00 0.82 -0.26 0.00 -1.30 0.00 0.00 177.93 177.19 3he0 h ALA 168 N 0.70 1.35 0.00 5.26 0.00 0.90 -2.12 119.26 125.35 3he0 h ALA 168 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3he0 h ALA 168 Cb 0.68 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3he0 h ALA 168 CO 0.04 0.45 0.00 1.28 0.00 0.00 0.00 179.25 181.02 3he0 n LEU 169 N -4.16 0.53 0.00 0.00 4.77 -0.26 -4.85 117.00 113.02 3he0 n LEU 169 Ca -0.01 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 3he0 n LEU 169 Cb 0.36 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3he0 n LEU 169 CO 0.39 -0.41 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 3he0 n GLY 170 N 0.29 0.63 0.10 -0.72 0.00 -0.80 -4.96 105.19 99.73 3he0 n GLY 170 Ca 0.03 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 3he0 n GLY 170 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3he0 h PHE 171 N 0.00 -0.12 -4.14 1.61 -1.00 -1.43 -3.46 116.94 108.40 3he0 h PHE 171 Ca 0.00 -0.00 -0.51 0.00 2.81 0.00 0.00 57.97 60.27 3he0 h PHE 171 Cb 0.00 0.04 -0.30 0.00 3.61 0.00 0.00 35.95 39.30 3he0 h PHE 171 CO 0.00 0.28 -0.82 -0.47 -1.61 0.00 0.00 178.31 175.69 3he0 s TYR 172 N -2.53 1.39 -0.17 -0.55 5.04 -1.14 -5.03 117.35 114.35 3he0 s TYR 172 Ca -0.10 -0.30 -0.04 0.00 -2.44 0.00 0.00 57.07 54.19 3he0 s TYR 172 Cb -0.00 -0.91 -0.03 0.00 0.35 0.00 0.00 41.96 41.37 3he0 s TYR 172 CO 0.35 -0.06 -0.02 1.14 -1.34 0.00 0.00 175.55 175.62 3he0 s GLN 173 N -0.22 3.69 -0.33 4.97 -2.07 -1.26 -3.93 119.66 120.51 3he0 s GLN 173 Ca 0.03 -0.50 -0.08 0.00 -1.82 0.00 0.00 55.36 52.99 3he0 s GLN 173 Cb -0.07 -2.98 0.02 0.00 -1.09 0.00 0.00 33.01 28.89 3he0 s GLN 173 CO 0.00 0.19 0.13 -0.51 -1.32 0.00 0.00 175.29 173.79 3he0 s LEU 174 N 0.50 4.27 1.23 2.60 1.02 -1.26 -5.11 118.68 121.94 3he0 s LEU 174 Ca -0.02 -0.89 -0.18 0.00 0.02 0.00 0.00 54.13 53.07 3he0 s LEU 174 Cb -0.14 -1.94 0.30 0.00 0.02 0.00 0.00 46.19 44.43 3he0 s LEU 174 CO 0.02 -0.29 1.03 1.51 0.02 0.00 0.00 176.35 178.65 3he0 s ASP 175 N 1.50 0.55 0.16 2.29 1.47 -1.26 -4.65 116.67 116.73 3he0 s ASP 175 Ca 0.01 1.01 -0.14 0.00 1.18 0.00 0.00 52.55 54.61 3he0 s ASP 175 Cb -0.18 -1.51 0.04 0.00 -0.34 0.00 0.00 42.92 40.93 3he0 s ASP 175 CO 0.04 -4.39 1.74 0.44 0.68 0.00 0.00 175.17 173.68 3he0 h ASP 176 N -2.76 0.66 -0.82 2.11 3.32 -1.99 -0.11 116.42 116.83 3he0 h ASP 176 Ca -0.51 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.40 3he0 h ASP 176 Cb 1.33 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.67 3he0 h ASP 176 CO 0.41 0.61 0.46 0.44 -1.72 0.00 0.00 179.24 179.44 3he0 h ASP 177 N 0.68 1.03 -0.68 6.45 5.19 -1.99 -0.43 116.42 126.66 3he0 h ASP 177 Ca 0.17 -0.08 -0.07 0.00 -0.62 0.00 0.00 57.03 56.43 3he0 h ASP 177 Cb 0.12 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.34 3he0 h ASP 177 CO -0.02 0.82 0.15 0.00 -3.12 0.00 0.00 179.24 177.06 3he0 h ALA 178 N 1.35 0.90 -0.35 3.45 0.00 -1.78 -0.47 119.26 122.36 3he0 h ALA 178 Ca 0.29 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3he0 h ALA 178 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3he0 h ALA 178 CO -0.05 0.64 0.06 1.25 0.00 0.00 0.00 179.25 181.15 3he0 h LEU 179 N 1.03 0.54 -0.46 0.00 5.85 -0.46 -0.16 115.31 121.66 3he0 h LEU 179 Ca 0.21 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.71 3he0 h LEU 179 Cb 0.40 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3he0 h LEU 179 CO 0.01 0.66 0.26 -0.33 -0.34 0.00 0.00 178.44 178.69 3he0 h GLU 180 N 0.41 0.50 -0.82 1.25 4.39 -0.98 -0.21 114.58 119.11 3he0 h GLU 180 Ca 0.11 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 3he0 h GLU 180 Cb 0.34 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 3he0 h GLU 180 CO 0.01 0.33 0.47 0.00 -1.16 0.00 0.00 179.01 178.65 3he0 h ALA 181 N 1.22 1.27 -0.42 3.43 0.00 -0.78 -1.74 119.26 122.24 3he0 h ALA 181 Ca 0.19 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 3he0 h ALA 181 Cb 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3he0 h ALA 181 CO -0.10 0.60 -0.22 0.00 0.00 0.00 0.00 179.25 179.53 3he0 h ALA 182 N 1.36 0.81 -0.56 0.00 0.00 -0.43 0.12 119.26 120.56 3he0 h ALA 182 Ca 0.29 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3he0 h ALA 182 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3he0 h ALA 182 CO -0.05 0.65 0.30 0.82 0.00 0.00 0.00 179.25 180.97 3he0 h ILE 183 N 0.74 1.19 -0.56 0.00 2.04 -0.63 -1.53 117.51 118.76 3he0 h ILE 183 Ca 0.10 -0.49 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 3he0 h ILE 183 Cb 0.76 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3he0 h ILE 183 CO 0.06 0.21 0.17 -0.33 0.00 0.00 0.00 178.15 178.25 3he0 h GLU 184 N 0.75 0.88 -0.68 2.37 4.39 -0.82 -2.45 114.58 119.03 3he0 h GLU 184 Ca 0.20 -0.20 0.02 0.00 0.34 0.00 0.00 59.36 59.72 3he0 h GLU 184 Cb 0.06 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.55 3he0 h GLU 184 CO -0.03 0.81 0.44 0.00 -1.16 0.00 0.00 179.01 179.06 3he0 h ALA 185 N 1.04 0.87 0.00 3.43 0.00 -0.53 -1.68 119.26 122.38 3he0 h ALA 185 Ca 0.18 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3he0 h ALA 185 Cb 0.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3he0 h ALA 185 CO -0.00 0.24 -0.41 0.66 0.00 0.00 0.00 179.25 179.74 3he0 h SER 186 N 0.88 0.00 -0.55 0.00 4.64 -1.13 -2.04 113.55 115.36 3he0 h SER 186 Ca 0.26 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.56 3he0 h SER 186 Cb -0.06 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 3he0 h SER 186 CO -0.07 0.41 0.28 -0.25 -0.87 0.00 0.00 176.83 176.32 3he0 h TRP 187 N 0.00 0.77 -0.80 4.77 2.91 -1.08 -2.27 115.95 120.26 3he0 h TRP 187 Ca -0.00 -0.03 0.18 0.00 1.13 0.00 0.00 58.89 60.16 3he0 h TRP 187 Cb 0.85 -0.24 -0.05 0.00 -0.51 0.00 0.00 29.16 29.20 3he0 h TRP 187 CO 0.00 0.59 0.54 -0.44 -1.03 0.00 0.00 178.44 178.09 3he0 h ASP 188 N 0.73 0.33 -0.57 2.65 3.32 -0.58 -1.67 116.42 120.63 3he0 h ASP 188 Ca 0.19 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 3he0 h ASP 188 Cb 0.09 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3he0 h ASP 188 CO -0.03 0.16 0.20 0.00 -1.72 0.00 0.00 179.24 177.85 3he0 h ALA 189 N 1.63 1.21 0.00 3.45 0.00 -1.14 -3.26 119.26 121.16 3he0 h ALA 189 Ca 0.40 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3he0 h ALA 189 Cb 1.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3he0 h ALA 189 CO -0.12 0.56 -1.44 0.44 0.00 0.00 0.00 179.25 178.69 3he0 n ILE 190 N -4.29 0.15 -2.67 0.00 -5.35 -0.70 -4.94 119.36 101.56 3he0 n ILE 190 Ca 0.05 -0.38 -0.28 0.00 -0.27 0.00 0.00 62.75 61.87 3he0 n ILE 190 Cb 0.20 0.12 -0.01 0.00 -1.74 0.00 0.00 39.64 38.20 3he0 n ILE 190 CO 0.00 0.00 0.00 0.27 -1.76 0.00 0.00 176.55 175.06 3he0 s ILE 191 N -3.34 4.87 0.37 7.28 -4.36 -0.76 -0.91 121.20 124.35 3he0 s ILE 191 Ca -0.02 0.33 -0.25 0.00 -0.26 0.00 0.00 60.65 60.45 3he0 s ILE 191 Cb 0.14 -3.83 -0.09 0.00 1.25 0.00 0.00 42.46 39.92 3he0 s ILE 191 CO 0.85 -0.77 1.03 -0.54 0.24 0.00 0.00 174.94 175.76 3he0 s LYS 192 N -4.51 4.30 0.00 0.37 1.02 -0.69 -4.58 119.74 115.65 3he0 s LYS 192 Ca 0.49 1.51 0.00 0.00 0.02 0.00 0.00 55.97 57.98 3he0 s LYS 192 Cb -0.10 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 3he0 s LYS 192 CO 0.42 -0.02 0.49 0.72 -0.92 0.00 0.00 175.35 176.04