#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3he0 n LYS 9 N 0.00 2.66 0.05 -0.67 4.76 -1.26 -4.57 118.16 119.14 3he0 n LYS 9 Ca 0.00 -2.49 -0.12 0.00 -2.87 0.00 0.00 58.31 52.83 3he0 n LYS 9 Cb 0.00 -1.56 -0.08 0.00 -1.84 0.00 0.00 35.03 31.56 3he0 n LYS 9 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3he0 h ARG 10 N 4.00 -0.06 -0.56 1.97 2.43 -1.99 -1.44 114.38 118.74 3he0 h ARG 10 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3he0 h ARG 10 Cb 0.95 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.49 3he0 h ARG 10 CO 0.02 0.04 0.33 -0.44 -1.51 0.00 0.00 179.97 178.40 3he0 h ASP 11 N -0.13 0.68 -0.73 -3.80 3.32 -1.99 0.14 116.42 113.91 3he0 h ASP 11 Ca -0.01 -0.07 0.09 0.00 0.02 0.00 0.00 57.03 57.06 3he0 h ASP 11 Cb 0.12 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 39.43 3he0 h ASP 11 CO 0.01 0.55 0.39 -0.61 -1.72 0.00 0.00 179.24 177.86 3he0 h GLN 12 N 0.75 0.65 -0.37 3.56 4.15 -1.81 0.39 115.11 122.44 3he0 h GLN 12 Ca 0.20 -0.04 -0.12 0.00 0.77 0.00 0.00 58.65 59.46 3he0 h GLN 12 Cb 0.01 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 3he0 h GLN 12 CO -0.04 0.43 -0.24 0.82 -1.93 0.00 0.00 178.83 177.88 3he0 h ILE 13 N 0.67 1.28 -0.69 2.39 2.04 -0.92 -0.30 117.51 121.99 3he0 h ILE 13 Ca 0.35 -1.39 -0.06 0.00 1.00 0.00 0.00 64.86 64.76 3he0 h ILE 13 Cb 0.33 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 3he0 h ILE 13 CO -0.24 0.46 0.18 -0.07 0.00 0.00 0.00 178.15 178.48 3he0 h LEU 14 N 0.61 1.03 -0.08 1.44 3.38 -0.36 0.53 115.31 121.86 3he0 h LEU 14 Ca 0.07 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3he0 h LEU 14 Cb 0.81 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3he0 h LEU 14 CO 0.07 0.98 0.04 0.00 0.09 0.00 0.00 178.44 179.62 3he0 h ALA 15 N 1.15 0.10 -0.51 1.53 0.00 -0.02 0.15 119.26 121.66 3he0 h ALA 15 Ca 0.22 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3he0 h ALA 15 Cb 0.34 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3he0 h ALA 15 CO -0.00 -0.36 0.32 0.00 0.00 0.00 0.00 179.25 179.21 3he0 h ALA 16 N 0.95 0.65 0.11 0.00 0.00 -0.89 -1.34 119.26 118.73 3he0 h ALA 16 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3he0 h ALA 16 Cb 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3he0 h ALA 16 CO -0.00 0.04 -0.05 0.00 0.00 0.00 0.00 179.25 179.23 3he0 h ALA 17 N 1.21 -0.15 -0.96 0.00 0.00 -0.64 -1.15 119.26 117.56 3he0 h ALA 17 Ca 0.20 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3he0 h ALA 17 Cb -0.02 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3he0 h ALA 17 CO -0.07 -0.57 0.62 0.93 0.00 0.00 0.00 179.25 180.16 3he0 h GLU 18 N -0.17 1.14 -0.29 0.00 5.08 -0.55 0.22 114.58 120.01 3he0 h GLU 18 Ca -0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3he0 h GLU 18 Cb 0.14 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3he0 h GLU 18 CO 0.02 0.75 0.19 0.37 -1.00 0.00 0.00 179.01 179.35 3he0 h GLN 19 N 1.17 0.38 -0.65 2.33 5.75 -0.77 0.25 115.11 123.56 3he0 h GLN 19 Ca 0.39 -0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.79 3he0 h GLN 19 Cb 0.07 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 3he0 h GLN 19 CO -0.14 0.25 0.10 -0.07 -2.65 0.00 0.00 178.83 176.32 3he0 h LEU 20 N 0.39 1.03 -0.24 -2.39 3.38 -0.71 0.01 115.31 116.78 3he0 h LEU 20 Ca 0.11 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 3he0 h LEU 20 Cb -0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3he0 h LEU 20 CO -0.03 1.03 -0.09 0.40 0.09 0.00 0.00 178.44 179.85 3he0 h ILE 21 N 0.99 1.29 -0.54 1.22 2.04 -0.78 0.21 117.51 121.95 3he0 h ILE 21 Ca 0.20 -1.13 0.09 0.00 1.00 0.00 0.00 64.86 65.02 3he0 h ILE 21 Cb 0.44 1.52 -0.07 0.00 -0.74 0.00 0.00 36.82 37.97 3he0 h ILE 21 CO 0.01 0.35 0.13 0.00 0.00 0.00 0.00 178.15 178.64 3he0 h ALA 22 N 0.74 0.63 0.59 1.87 0.00 -0.35 0.46 119.26 123.20 3he0 h ALA 22 Ca 0.06 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3he0 h ALA 22 Cb 0.57 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.50 3he0 h ALA 22 CO 0.03 -0.28 -0.28 0.93 0.00 0.00 0.00 179.25 179.64 3he0 h GLU 23 N 0.27 -0.76 0.00 0.00 5.08 -0.64 -3.40 114.58 115.14 3he0 h GLU 23 Ca 0.27 0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.59 3he0 h GLU 23 Cb 0.36 0.17 -0.20 0.00 0.50 0.00 0.00 28.75 29.58 3he0 h GLU 23 CO -0.33 -0.45 -0.75 -1.13 -1.00 0.00 0.00 179.01 175.34 3he0 n SER 24 N -5.36 0.89 -0.47 1.42 3.41 0.70 -5.09 113.62 109.11 3he0 n SER 24 Ca -0.12 -2.30 0.06 0.00 -0.26 0.00 0.00 58.87 56.25 3he0 n SER 24 Cb 0.35 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 3he0 n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3he0 n GLY 25 N 0.03 -2.42 0.30 5.00 0.00 0.16 -4.12 105.19 104.15 3he0 n GLY 25 Ca 0.07 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.46 -0.73 0.00 1.61 0.04 -1.91 -3.08 116.94 112.40 3he0 h PHE 26 Ca -0.04 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 3he0 h PHE 26 Cb 0.45 0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.89 3he0 h PHE 26 CO 0.01 -0.38 -0.15 1.96 -0.60 0.00 0.00 178.31 179.14 3he0 h GLN 27 N -0.52 0.00 0.00 1.51 4.20 -1.99 -2.69 115.11 115.62 3he0 h GLN 27 Ca 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 3he0 h GLN 27 Cb 0.52 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 3he0 h GLN 27 CO -0.12 0.15 -0.09 0.78 -0.67 0.00 0.00 178.83 178.88 3he0 h GLY 28 N 0.67 0.00 -4.75 3.46 0.00 -1.69 -3.46 103.07 97.30 3he0 h GLY 28 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 3he0 h GLY 28 CO 0.02 0.00 1.02 -2.27 0.00 0.00 0.00 176.54 175.31 3he0 s LEU 29 N -6.44 4.38 0.00 3.11 2.96 -1.02 -5.07 118.68 116.60 3he0 s LEU 29 Ca 0.01 2.79 0.00 0.00 -0.22 0.00 0.00 54.13 56.71 3he0 s LEU 29 Cb 0.09 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.19 3he0 s LEU 29 CO 0.58 -0.96 0.00 -0.24 -1.32 0.00 0.00 176.35 174.42 3he0 n SER 30 N 4.48 0.40 0.00 3.68 2.88 -1.26 -5.08 113.62 118.72 3he0 n SER 30 Ca 0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 3he0 n SER 30 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 3he0 n SER 30 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 3he0 n GLN 32 N 0.00 0.00 0.00 -1.46 -0.06 -1.26 -1.44 117.38 113.17 3he0 n GLN 32 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.98 3he0 n GLN 32 Cb 0.00 0.00 0.23 0.00 -4.06 0.00 0.00 30.24 26.41 3he0 n GLN 32 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 3he0 h LYS 33 N 0.00 0.52 -0.10 3.69 3.11 -1.98 -0.47 116.57 121.34 3he0 h LYS 33 Ca 0.00 -0.16 0.03 0.00 -2.81 0.00 0.00 60.65 57.71 3he0 h LYS 33 Cb 0.00 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.15 3he0 h LYS 33 CO 0.00 0.66 -0.08 1.25 -2.81 0.00 0.00 179.45 178.47 3he0 h LEU 34 N 0.47 -0.24 -0.62 5.20 5.85 -1.65 0.50 115.31 124.82 3he0 h LEU 34 Ca 0.08 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 3he0 h LEU 34 Cb 0.55 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 3he0 h LEU 34 CO 0.04 -0.11 0.19 0.00 -0.34 0.00 0.00 178.44 178.22 3he0 h ALA 35 N 0.99 0.81 -0.05 1.25 0.00 -1.67 0.36 119.26 120.95 3he0 h ALA 35 Ca 0.06 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3he0 h ALA 35 Cb 0.18 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3he0 h ALA 35 CO -0.15 0.49 -0.07 -0.91 0.00 0.00 0.00 179.25 178.60 3he0 h ASN 36 N 0.89 -0.23 0.60 0.00 2.35 -0.64 0.14 115.58 118.70 3he0 h ASN 36 Ca 0.20 0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.87 3he0 h ASN 36 Cb 0.30 0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 3he0 h ASN 36 CO -0.01 -0.11 -0.57 -0.33 -1.65 0.00 0.00 177.43 174.77 3he0 h GLU 37 N -0.10 0.00 0.00 0.81 4.39 0.43 -2.69 114.58 117.41 3he0 h GLU 37 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3he0 h GLU 37 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3he0 h GLU 37 CO -0.12 0.57 -0.20 0.00 -1.16 0.00 0.00 179.01 178.11 3he0 n ALA 38 N -2.42 2.49 -2.82 3.43 0.00 0.12 -4.88 120.51 116.43 3he0 n ALA 38 Ca -0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.25 3he0 n ALA 38 Cb 0.58 -1.38 0.04 0.00 0.00 0.00 0.00 19.45 18.69 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 1.32 0.24 3.13 0.00 0.00 0.10 -4.88 105.19 105.10 3he0 n GLY 39 Ca 0.05 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.14 0.57 0.62 1.61 -7.23 0.26 -5.03 120.40 108.06 3he0 s VAL 40 Ca 0.15 -1.73 -0.18 0.00 -1.81 0.00 0.00 61.98 58.41 3he0 s VAL 40 Cb -0.07 -1.42 -0.02 0.00 0.56 0.00 0.00 36.38 35.43 3he0 s VAL 40 CO 0.31 -0.79 1.25 0.00 -0.31 0.00 0.00 175.10 175.55 3he0 s ALA 41 N -3.19 2.46 0.28 1.32 0.00 -1.26 -4.25 121.76 117.11 3he0 s ALA 41 Ca 0.06 1.10 0.02 0.00 0.00 0.00 0.00 51.96 53.15 3he0 s ALA 41 Cb 0.02 -3.50 0.64 0.00 0.00 0.00 0.00 23.12 20.28 3he0 s ALA 41 CO -0.05 -1.38 1.76 0.00 0.00 0.00 0.00 175.76 176.09 3he0 h ALA 42 N 0.70 1.45 -0.48 0.00 0.00 -1.94 -1.38 119.26 117.61 3he0 h ALA 42 Ca -0.51 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3he0 h ALA 42 Cb 1.32 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 3he0 h ALA 42 CO 0.54 -0.10 0.31 0.78 0.00 0.00 0.00 179.25 180.79 3he0 h GLY 43 N 0.66 0.68 1.02 0.00 0.00 -2.01 -1.43 103.07 101.98 3he0 h GLY 43 Ca 0.52 -0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.66 3he0 h GLY 43 CO -0.39 0.25 0.49 -0.84 0.00 0.00 0.00 176.54 176.05 3he0 h THR 44 N 0.65 1.02 -0.62 4.70 2.02 -1.61 -2.40 112.91 116.68 3he0 h THR 44 Ca 0.18 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 3he0 h THR 44 Cb -0.07 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.48 3he0 h THR 44 CO -0.04 0.14 0.21 0.40 0.37 0.00 0.00 175.52 176.60 3he0 h ILE 45 N 0.78 1.23 0.00 3.11 2.04 -1.28 -2.21 117.51 121.19 3he0 h ILE 45 Ca 0.32 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.41 3he0 h ILE 45 Cb 0.26 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3he0 h ILE 45 CO -0.11 0.30 0.00 -1.22 0.00 0.00 0.00 178.15 177.12 3he0 n TYR 46 N -4.29 0.00 1.23 1.37 4.01 -0.91 -0.99 117.16 117.58 3he0 n TYR 46 Ca 0.05 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.93 3he0 n TYR 46 Cb 0.20 -0.35 0.63 0.00 -0.31 0.00 0.00 39.34 39.51 3he0 n TYR 46 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3he0 n ARG 47 N -1.35 0.29 0.00 -0.72 1.74 -0.83 -4.22 116.66 111.57 3he0 n ARG 47 Ca 0.10 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 3he0 n ARG 47 Cb 0.22 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 3he0 n ARG 47 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3he0 n TYR 48 N -1.31 0.00 -4.58 -1.55 4.01 -0.88 -5.06 117.16 107.79 3he0 n TYR 48 Ca 0.11 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.62 3he0 n TYR 48 Cb 0.29 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.16 3he0 n TYR 48 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3he0 s PHE 49 N -1.84 1.30 0.28 -0.72 0.08 -0.16 -5.04 117.98 111.88 3he0 s PHE 49 Ca 0.00 -0.37 0.05 0.00 0.12 0.00 0.00 56.93 56.72 3he0 s PHE 49 Cb 0.00 -0.91 0.41 0.00 -0.57 0.00 0.00 43.02 41.95 3he0 s PHE 49 CO 0.00 -0.15 1.69 0.66 -0.10 0.00 0.00 175.22 177.31 3he0 h SER 50 N 6.45 0.34 -5.38 1.36 4.64 -1.86 -3.37 113.55 115.73 3he0 h SER 50 Ca -0.33 -0.14 0.16 0.00 -0.47 0.00 0.00 61.79 61.01 3he0 h SER 50 Cb 1.17 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 63.13 3he0 h SER 50 CO 0.48 0.70 0.56 1.51 -0.87 0.00 0.00 176.83 179.21 3he0 s ASP 51 N -6.87 -0.02 0.22 4.97 1.47 -1.26 -4.99 116.67 110.19 3he0 s ASP 51 Ca -0.05 -0.66 -0.08 0.00 1.18 0.00 0.00 52.55 52.94 3he0 s ASP 51 Cb 0.13 0.52 0.25 0.00 -0.34 0.00 0.00 42.92 43.48 3he0 s ASP 51 CO 0.78 -1.01 1.85 0.50 0.68 0.00 0.00 175.17 177.97 3he0 h LYS 52 N 2.00 0.89 -0.63 2.11 3.64 -1.99 -1.54 116.57 121.04 3he0 h LYS 52 Ca -0.27 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.00 3he0 h LYS 52 Cb 1.22 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 3he0 h LYS 52 CO 0.35 0.59 0.17 0.93 -2.27 0.00 0.00 179.45 179.22 3he0 h GLU 53 N 0.92 1.00 -0.55 1.90 3.07 -1.99 -0.32 114.58 118.61 3he0 h GLU 53 Ca 0.32 -0.23 -0.10 0.00 -0.50 0.00 0.00 59.36 58.85 3he0 h GLU 53 Cb 0.08 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 3he0 h GLU 53 CO -0.14 0.89 -0.06 0.45 -1.40 0.00 0.00 179.01 178.76 3he0 h HIS 54 N 0.92 1.11 -0.50 4.33 3.86 -1.83 -2.47 115.15 120.57 3he0 h HIS 54 Ca 0.20 -0.21 0.07 0.00 -1.16 0.00 0.00 60.37 59.27 3he0 h HIS 54 Cb 0.33 -0.28 -0.06 0.00 1.06 0.00 0.00 27.41 28.46 3he0 h HIS 54 CO 0.02 1.02 0.17 1.25 0.86 0.00 0.00 177.93 181.25 3he0 h LEU 55 N 0.88 0.16 -0.82 2.43 5.85 -0.81 -2.16 115.31 120.84 3he0 h LEU 55 Ca 0.15 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.96 3he0 h LEU 55 Cb 0.61 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 3he0 h LEU 55 CO 0.04 0.12 0.53 -0.07 -0.34 0.00 0.00 178.44 178.72 3he0 h LEU 56 N 0.34 0.90 -1.04 2.25 3.38 -0.69 -0.07 115.31 120.37 3he0 h LEU 56 Ca 0.24 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 3he0 h LEU 56 Cb 0.27 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3he0 h LEU 56 CO -0.26 0.63 0.20 -0.08 0.09 0.00 0.00 178.44 179.02 3he0 h GLU 57 N 1.05 0.89 -0.10 1.13 4.57 -1.06 -0.74 114.58 120.33 3he0 h GLU 57 Ca 0.32 -0.16 -0.15 0.00 -1.18 0.00 0.00 59.36 58.19 3he0 h GLU 57 Cb -0.03 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.40 3he0 h GLU 57 CO -0.10 0.76 -0.61 0.93 -1.18 0.00 0.00 179.01 178.81 3he0 h GLU 58 N 0.87 0.33 0.19 1.92 4.39 -0.73 -1.65 114.58 119.89 3he0 h GLU 58 Ca 0.20 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3he0 h GLU 58 Cb 0.23 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3he0 h GLU 58 CO -0.01 0.84 -0.09 0.28 -1.16 0.00 0.00 179.01 178.87 3he0 h VAL 59 N 0.25 0.85 -0.65 3.13 2.07 -0.26 -0.66 116.25 120.98 3he0 h VAL 59 Ca -0.01 -0.13 0.10 0.00 0.82 0.00 0.00 66.70 67.49 3he0 h VAL 59 Cb 1.13 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 31.75 3he0 h VAL 59 CO 0.10 0.03 0.26 0.03 0.02 0.00 0.00 177.57 178.01 3he0 h ARG 60 N -0.31 0.44 -0.30 1.57 3.08 -0.94 0.10 114.38 118.02 3he0 h ARG 60 Ca -0.03 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 3he0 h ARG 60 Cb 0.24 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3he0 h ARG 60 CO 0.04 0.29 -0.37 -0.07 -1.07 0.00 0.00 179.97 178.79 3he0 h LEU 61 N 0.45 0.72 -0.32 3.04 3.38 -1.19 -1.41 115.31 119.98 3he0 h LEU 61 Ca 0.33 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 3he0 h LEU 61 Cb 0.40 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3he0 h LEU 61 CO -0.31 1.01 -0.28 -1.13 0.09 0.00 0.00 178.44 177.83 3he0 h ASN 62 N 0.56 0.80 -0.30 -0.43 -1.24 -0.12 -1.59 115.58 113.27 3he0 h ASN 62 Ca 0.05 -0.46 0.00 0.00 0.71 0.00 0.00 56.30 56.61 3he0 h ASN 62 Cb 0.89 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.70 3he0 h ASN 62 CO 0.08 1.09 0.20 0.58 -1.29 0.00 0.00 177.43 178.09 3he0 h VAL 63 N 0.52 1.08 -0.98 2.57 2.07 -0.69 -1.57 116.25 119.25 3he0 h VAL 63 Ca 0.06 -0.14 0.11 0.00 0.82 0.00 0.00 66.70 67.54 3he0 h VAL 63 Cb 0.85 0.64 -0.08 0.00 -1.52 0.00 0.00 31.29 31.18 3he0 h VAL 63 CO 0.07 0.07 0.62 0.00 0.02 0.00 0.00 177.57 178.36 3he0 h ALA 64 N 1.11 1.54 -0.37 1.67 0.00 -1.20 -0.48 119.26 121.52 3he0 h ALA 64 Ca 0.11 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 3he0 h ALA 64 Cb -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3he0 h ALA 64 CO -0.02 0.25 -0.35 -0.22 0.00 0.00 0.00 179.25 178.90 3he0 h LYS 65 N 1.00 0.86 -0.28 0.00 1.63 -0.73 -0.88 116.57 118.17 3he0 h LYS 65 Ca 0.47 -0.43 -0.10 0.00 -0.85 0.00 0.00 60.65 59.74 3he0 h LYS 65 Cb 0.43 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 3he0 h LYS 65 CO -0.23 1.07 -0.22 0.00 -3.45 0.00 0.00 179.45 176.62 3he0 h ARG 66 N 0.71 0.65 -0.26 1.90 3.08 -0.70 -1.95 114.38 117.81 3he0 h ARG 66 Ca 0.07 -0.32 0.04 0.00 0.07 0.00 0.00 59.98 59.84 3he0 h ARG 66 Cb 0.92 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.93 3he0 h ARG 66 CO 0.08 0.92 0.03 0.82 -1.07 0.00 0.00 179.97 180.76 3he0 h ILE 67 N 0.38 0.85 -0.69 2.04 2.04 -1.00 0.24 117.51 121.37 3he0 h ILE 67 Ca 0.05 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 65.92 3he0 h ILE 67 Cb 0.77 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 3he0 h ILE 67 CO 0.06 0.02 0.40 0.00 0.00 0.00 0.00 178.15 178.63 3he0 h ALA 68 N 1.20 0.93 -0.06 1.87 0.00 -0.99 0.45 119.26 122.66 3he0 h ALA 68 Ca 0.12 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 3he0 h ALA 68 Cb 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3he0 h ALA 68 CO -0.18 0.11 -0.67 0.66 0.00 0.00 0.00 179.25 179.17 3he0 h SER 69 N 0.75 0.31 -0.02 0.00 4.64 -0.99 -1.80 113.55 116.44 3he0 h SER 69 Ca 0.30 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3he0 h SER 69 Cb 0.15 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3he0 h SER 69 CO -0.17 0.89 0.00 0.00 -0.87 0.00 0.00 176.83 176.69 3he0 h ALA 70 N 1.11 0.02 -0.89 5.18 0.00 0.98 -2.19 119.26 123.47 3he0 h ALA 70 Ca -0.02 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.90 3he0 h ALA 70 Cb 1.20 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 3he0 h ALA 70 CO 0.11 -0.37 0.58 0.28 0.00 0.00 0.00 179.25 179.84 3he0 h VAL 71 N -0.19 0.92 -0.52 0.00 2.07 -0.14 -2.09 116.25 116.30 3he0 h VAL 71 Ca 0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3he0 h VAL 71 Cb 0.22 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 3he0 h VAL 71 CO -0.00 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.74 3he0 n GLN 72 N -4.55 2.39 -2.11 1.57 6.02 -0.68 -4.81 117.38 115.20 3he0 n GLN 72 Ca 0.16 -2.14 -0.42 0.00 -0.01 0.00 0.00 57.00 54.59 3he0 n GLN 72 Cb 0.37 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 30.11 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 -1.32 3.61 0.00 -1.58 0.00 -0.79 -2.09 121.76 119.60 3he0 s ALA 73 Ca 0.40 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.56 3he0 s ALA 73 Cb 0.22 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3he0 s ALA 73 CO 0.29 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.82 3he0 n GLY 74 N 3.02 0.89 3.73 0.00 0.00 -1.26 -5.00 105.19 106.56 3he0 n GLY 74 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.64 4.76 0.06 1.61 1.01 -0.89 -5.06 120.40 118.26 3he0 s VAL 75 Ca 0.00 1.77 0.06 0.00 0.00 0.00 0.00 61.98 63.81 3he0 s VAL 75 Cb 0.00 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 3he0 s VAL 75 CO 0.00 0.30 -0.16 0.54 0.00 0.00 0.00 175.10 175.78 3he0 s ASN 76 N 0.29 1.86 0.00 3.32 2.20 -1.26 -5.03 114.94 116.32 3he0 s ASN 76 Ca 0.43 -0.56 0.17 0.00 -0.94 0.00 0.00 52.86 51.95 3he0 s ASN 76 Cb -0.21 -0.09 0.82 0.00 -2.00 0.00 0.00 41.25 39.77 3he0 s ASN 76 CO 0.25 0.00 1.53 0.47 -2.94 0.00 0.00 177.10 176.40 3he0 n ASP 77 N 1.51 0.00 -2.62 3.54 8.00 -1.26 -4.86 116.55 120.87 3he0 n ASP 77 Ca -0.20 0.21 -0.11 0.00 0.71 0.00 0.00 54.79 55.40 3he0 n ASP 77 Cb 0.54 -0.36 -0.05 0.00 -0.02 0.00 0.00 41.12 41.22 3he0 n ASP 77 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3he0 n ASP 78 N -1.36 3.19 -4.94 -2.24 9.92 -1.26 -5.03 116.55 114.82 3he0 n ASP 78 Ca 0.07 -2.09 -0.24 0.00 -0.53 0.00 0.00 54.79 52.00 3he0 n ASP 78 Cb 0.16 -0.81 -0.02 0.00 -0.64 0.00 0.00 41.12 39.81 3he0 n ASP 78 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 3he0 s PRO 80 N 2.68 3.49 0.12 -0.24 0.02 -1.26 -5.14 135.00 134.67 3he0 s PRO 80 Ca 0.33 -0.41 -0.26 0.00 0.02 0.00 0.00 61.00 60.67 3he0 s PRO 80 Cb 0.13 -2.74 -0.05 0.00 0.02 0.00 0.00 34.50 31.86 3he0 s PRO 80 CO -0.01 0.25 1.63 -0.07 -0.33 0.00 0.00 177.00 178.47 3he0 h LEU 81 N 1.09 -0.82 -1.97 -5.54 3.38 -1.98 -1.76 115.31 107.71 3he0 h LEU 81 Ca -0.50 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 3he0 h LEU 81 Cb 1.22 0.33 -0.00 0.00 0.09 0.00 0.00 40.66 42.30 3he0 h LEU 81 CO 0.63 -0.34 -0.09 0.50 0.09 0.00 0.00 178.44 179.22 3he0 h LYS 82 N -0.41 0.00 0.26 1.13 3.64 -2.01 -0.16 116.57 119.02 3he0 h LYS 82 Ca 0.06 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.11 3he0 h LYS 82 Cb 0.50 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 32.36 3he0 h LYS 82 CO -0.24 0.09 -1.49 1.49 -2.27 0.00 0.00 179.45 177.03 3he0 h GLU 83 N 0.00 0.55 -0.69 1.90 4.57 -1.86 -0.21 114.58 118.84 3he0 h GLU 83 Ca -0.00 -0.94 0.03 0.00 -1.18 0.00 0.00 59.36 57.28 3he0 h GLU 83 Cb 0.20 0.35 -0.05 0.00 -0.16 0.00 0.00 28.75 29.09 3he0 h GLU 83 CO 0.01 1.45 0.43 0.00 -1.18 0.00 0.00 179.01 179.72 3he0 h ARG 84 N 0.15 0.80 -0.10 1.92 3.08 -0.59 -0.68 114.38 118.97 3he0 h ARG 84 Ca -0.26 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 59.76 3he0 h ARG 84 Cb 2.18 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 32.03 3he0 h ARG 84 CO 0.28 0.53 0.01 -0.92 -1.07 0.00 0.00 179.97 178.81 3he0 h TYR 85 N 0.83 0.02 -0.84 3.04 3.20 -0.92 -2.86 116.97 119.44 3he0 h TYR 85 Ca 0.28 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.14 3he0 h TYR 85 Cb 0.05 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 3he0 h TYR 85 CO -0.05 0.01 0.45 -0.09 -1.64 0.00 0.00 178.16 176.84 3he0 h ARG 86 N 0.06 1.17 -0.02 1.82 2.43 -0.81 -0.36 114.38 118.67 3he0 h ARG 86 Ca 0.05 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3he0 h ARG 86 Cb 0.04 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 3he0 h ARG 86 CO -0.07 0.86 0.00 2.41 -1.51 0.00 0.00 179.97 181.67 3he0 n THR 87 N -4.38 0.00 0.00 0.20 -1.04 -0.28 -1.39 114.28 107.39 3he0 n THR 87 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 3he0 n THR 87 Cb 0.10 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 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 0.04 0.00 0.04 -1.42 -0.00 -0.14 -0.54 117.44 115.41 3he0 n TRP 89 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.41 3he0 n TRP 89 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 31.31 31.37 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 0.49 -0.97 5.87 3.38 -1.48 -1.59 115.31 121.02 3he0 h LEU 90 Ca 0.00 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.71 3he0 h LEU 90 Cb 0.00 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 3he0 h LEU 90 CO 0.00 1.01 0.63 0.78 0.09 0.00 0.00 178.44 180.95 3he0 h ASN 91 N 0.31 1.06 -0.49 -0.43 2.35 -1.06 -1.12 115.58 116.20 3he0 h ASN 91 Ca -0.01 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 3he0 h ASN 91 Cb 1.19 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.30 3he0 h ASN 91 CO 0.11 0.73 0.12 0.40 -1.65 0.00 0.00 177.43 177.15 3he0 h ILE 92 N 1.24 1.24 -0.74 2.81 2.04 -1.69 -2.27 117.51 120.14 3he0 h ILE 92 Ca 0.38 -0.84 0.02 0.00 1.00 0.00 0.00 64.86 65.43 3he0 h ILE 92 Cb -0.02 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3he0 h ILE 92 CO -0.12 0.30 0.47 -0.25 0.00 0.00 0.00 178.15 178.56 3he0 h TRP 93 N 0.67 0.89 0.00 1.37 2.91 -0.88 -1.86 115.95 119.05 3he0 h TRP 93 Ca 0.16 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.20 3he0 h TRP 93 Cb 0.32 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 28.68 3he0 h TRP 93 CO 0.02 0.53 0.00 0.09 -1.03 0.00 0.00 178.44 178.05 3he0 n ASN 94 N -4.61 0.00 0.15 2.65 5.03 -0.46 -2.43 115.26 115.58 3he0 n ASN 94 Ca 0.08 0.31 0.13 0.00 0.87 0.00 0.00 54.58 55.97 3he0 n ASN 94 Cb 0.06 -0.43 0.39 0.00 -1.02 0.00 0.00 39.78 38.78 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 -9.87 3.41 3.38 -0.74 -3.47 115.31 108.02 3he0 h LEU 95 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3he0 h LEU 95 Cb 0.32 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.16 3he0 h LEU 95 CO 0.00 0.00 0.78 0.00 0.09 0.00 0.00 178.44 179.31 3he0 s ALA 96 N -3.22 3.61 0.00 1.53 0.00 -1.02 -1.74 121.76 120.92 3he0 s ALA 96 Ca 0.08 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.52 3he0 s ALA 96 Cb 0.10 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.63 3he0 s ALA 96 CO 0.57 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.82 3he0 n GLY 97 N 1.15 0.64 3.93 0.00 0.00 -1.26 -5.03 105.19 104.62 3he0 n GLY 97 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.22 5.78 0.27 1.61 1.04 -0.71 -4.98 113.70 114.49 3he0 s SER 98 Ca 0.00 0.54 -0.01 0.00 0.48 0.00 0.00 55.95 56.96 3he0 s SER 98 Cb 0.00 -1.69 0.46 0.00 0.10 0.00 0.00 66.02 64.90 3he0 s SER 98 CO 0.00 -0.84 1.86 0.78 0.98 0.00 0.00 173.24 176.03 3he0 h ASN 99 N 0.14 1.00 -0.06 7.02 4.21 -1.97 -1.64 115.58 124.29 3he0 h ASN 99 Ca -0.46 0.02 0.01 0.00 1.21 0.00 0.00 56.30 57.09 3he0 h ASN 99 Cb 1.25 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 38.25 3he0 h ASN 99 CO 0.59 0.60 -0.03 -0.07 -1.29 0.00 0.00 177.43 177.23 3he0 h LEU 100 N 1.11 -0.09 -0.43 1.61 3.38 -1.94 0.93 115.31 119.87 3he0 h LEU 100 Ca 0.46 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.46 3he0 h LEU 100 Cb 0.29 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3he0 h LEU 100 CO -0.21 -0.04 0.28 0.78 0.09 0.00 0.00 178.44 179.34 3he0 h ASN 101 N -0.03 0.46 -0.49 -0.43 4.21 -1.79 -1.92 115.58 115.59 3he0 h ASN 101 Ca 0.03 -0.01 0.06 0.00 1.21 0.00 0.00 56.30 57.60 3he0 h ASN 101 Cb 0.07 -0.11 -0.05 0.00 -1.12 0.00 0.00 38.32 37.11 3he0 h ASN 101 CO -0.07 0.33 0.19 0.00 -1.29 0.00 0.00 177.43 176.59 3he0 h ALA 102 N 1.17 0.61 -0.14 -0.83 0.00 -0.47 -1.19 119.26 118.41 3he0 h ALA 102 Ca 0.16 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3he0 h ALA 102 Cb -0.04 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3he0 h ALA 102 CO -0.05 -0.20 -0.24 0.82 0.00 0.00 0.00 179.25 179.58 3he0 h ILE 103 N 0.38 1.36 0.00 0.00 2.04 -0.69 -3.20 117.51 117.40 3he0 h ILE 103 Ca 0.23 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.62 3he0 h ILE 103 Cb 0.23 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 3he0 h ILE 103 CO -0.23 0.44 0.00 0.77 0.00 0.00 0.00 178.15 179.13 3he0 h SER 104 N 0.03 0.00 0.00 1.72 4.64 -1.19 -2.58 113.55 116.16 3he0 h SER 104 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3he0 h SER 104 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3he0 h SER 104 CO 0.05 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.60 3he0 n ASN 105 N -2.93 0.00 0.03 4.97 4.13 -0.46 -3.77 115.26 117.22 3he0 n ASN 105 Ca 0.03 -0.63 -0.01 0.00 1.68 0.00 0.00 54.58 55.65 3he0 n ASN 105 Cb 0.44 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.68 3he0 n ASN 105 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3he0 n ARG 106 N -0.74 0.05 0.00 3.52 1.74 -0.98 -5.10 116.66 115.15 3he0 n ARG 106 Ca 0.05 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 3he0 n ARG 106 Cb 0.02 -0.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.98 3he0 n ARG 106 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3he0 n VAL 107 N -3.36 0.00 0.00 1.55 0.31 -1.20 -5.16 118.33 110.47 3he0 n VAL 107 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3he0 n VAL 107 Cb 0.05 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 3he0 n VAL 107 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3he0 n LEU 112 N 0.00 0.00 0.00 7.52 4.77 -1.26 -5.09 117.00 122.94 3he0 n LEU 112 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 3he0 n LEU 112 Cb 0.00 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.25 3he0 n LEU 112 CO 0.00 0.00 0.69 -0.81 -1.33 0.00 0.00 177.39 175.94 3he0 n PRO 113 N -1.96 -1.04 -0.04 3.23 -0.04 -1.26 -4.91 135.00 128.98 3he0 n PRO 113 Ca 0.00 -1.62 0.08 0.00 -0.04 0.00 0.00 63.50 61.92 3he0 n PRO 113 Cb 0.00 -1.08 0.09 0.00 -0.04 0.00 0.00 33.50 32.47 3he0 n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3he0 h THR 115 N 2.98 1.31 -0.06 0.00 1.35 -1.98 -2.58 112.91 113.92 3he0 h THR 115 Ca 0.00 -1.00 -0.17 0.00 -0.55 0.00 0.00 66.41 64.69 3he0 h THR 115 Cb 0.67 1.98 0.01 0.00 -1.73 0.00 0.00 68.15 69.08 3he0 h THR 115 CO 0.00 0.26 -0.64 0.71 -0.25 0.00 0.00 175.52 175.60 3he0 h THR 116 N -0.45 1.36 -0.69 6.82 1.35 -1.98 -2.59 112.91 116.73 3he0 h THR 116 Ca -0.00 -1.98 0.07 0.00 -0.55 0.00 0.00 66.41 63.95 3he0 h THR 116 Cb 0.44 2.31 -0.06 0.00 -1.73 0.00 0.00 68.15 69.11 3he0 h THR 116 CO 0.00 0.59 0.38 0.03 -0.25 0.00 0.00 175.52 176.27 3he0 h ARG 117 N 0.14 0.66 0.07 4.72 3.08 -0.74 0.29 114.38 122.60 3he0 h ARG 117 Ca -0.06 -0.04 -0.25 0.00 0.07 0.00 0.00 59.98 59.70 3he0 h ARG 117 Cb 1.30 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 31.21 3he0 h ARG 117 CO 0.13 0.44 -1.10 -0.91 -1.07 0.00 0.00 179.97 177.45 3he0 h ASN 118 N 0.68 0.50 -0.23 7.04 2.35 -1.58 -2.10 115.58 122.25 3he0 h ASN 118 Ca 0.31 -0.47 0.04 0.00 -0.55 0.00 0.00 56.30 55.64 3he0 h ASN 118 Cb 0.23 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 3he0 h ASN 118 CO -0.20 1.31 -0.02 0.50 -1.65 0.00 0.00 177.43 177.37 3he0 h LYS 119 N 0.16 0.04 0.32 0.81 3.64 -0.99 -0.33 116.57 120.21 3he0 h LYS 119 Ca -0.11 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 3he0 h LYS 119 Cb 1.78 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.60 3he0 h LYS 119 CO 0.19 0.03 -0.15 1.15 -2.27 0.00 0.00 179.45 178.39 3he0 h THR 120 N 0.04 0.71 -0.44 1.00 2.02 -0.46 -1.05 112.91 114.73 3he0 h THR 120 Ca 0.11 -0.31 0.09 0.00 0.77 0.00 0.00 66.41 67.07 3he0 h THR 120 Cb 0.15 0.88 -0.09 0.00 -1.74 0.00 0.00 68.15 67.35 3he0 h THR 120 CO -0.20 0.06 -0.18 -0.50 0.37 0.00 0.00 175.52 175.07 3he0 h TRP 121 N -0.59 -0.43 -0.53 3.16 4.06 -1.31 0.12 115.95 120.43 3he0 h TRP 121 Ca -0.04 0.05 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 3he0 h TRP 121 Cb 0.43 0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.83 3he0 h TRP 121 CO -0.01 -0.26 0.14 1.49 -3.56 0.00 0.00 178.44 176.24 3he0 h GLU 122 N -0.08 0.84 -0.56 0.49 4.81 -0.85 -2.20 114.58 117.03 3he0 h GLU 122 Ca 0.21 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3he0 h GLU 122 Cb 0.41 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 3he0 h GLU 122 CO -0.50 0.79 0.13 -0.07 -0.73 0.00 0.00 179.01 178.63 3he0 h LEU 123 N 0.74 0.81 -0.83 1.64 3.38 -0.70 -2.94 115.31 117.40 3he0 h LEU 123 Ca 0.17 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 3he0 h LEU 123 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3he0 h LEU 123 CO -0.00 0.79 -0.40 -0.33 0.09 0.00 0.00 178.44 178.60 3he0 h GLU 124 N 0.83 0.39 0.05 1.13 5.08 -0.63 -3.24 114.58 118.19 3he0 h GLU 124 Ca 0.18 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3he0 h GLU 124 Cb 0.31 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3he0 h GLU 124 CO -0.00 0.72 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.62 3he0 h ARG 125 N 0.32 -0.07 -2.16 2.33 1.12 -1.22 -3.34 114.38 111.36 3he0 h ARG 125 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.91 3he0 h ARG 125 Cb 0.84 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.82 3he0 h ARG 125 CO 0.07 0.08 0.02 1.63 -3.11 0.00 0.00 179.97 178.65 3he0 n LYS 126 N -5.06 0.00 -1.59 0.20 5.02 -1.21 -4.47 118.16 111.05 3he0 n LYS 126 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3he0 n LYS 126 Cb 0.11 -0.69 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 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 1.28 0.00 -0.22 2.13 3.72 -1.26 -4.98 117.46 118.14 3he0 n PHE 128 Ca 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 3he0 n PHE 128 Cb 0.00 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 38.74 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 1.52 1.33 0.00 4.37 0.00 -1.96 -1.26 119.26 123.26 3he0 h ALA 129 Ca 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3he0 h ALA 129 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3he0 h ALA 129 CO 0.00 0.55 -0.28 1.96 0.00 0.00 0.00 179.25 181.48 3he0 h GLN 130 N 1.01 0.00 -0.24 0.00 4.20 -1.98 -1.56 115.11 116.55 3he0 h GLN 130 Ca 0.26 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.84 3he0 h GLN 130 Cb 0.03 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 3he0 h GLN 130 CO -0.04 0.28 -0.34 0.28 -0.67 0.00 0.00 178.83 178.34 3he0 h VAL 131 N 0.00 1.31 -0.61 -0.54 2.07 -1.68 -1.99 116.25 114.81 3he0 h VAL 131 Ca -0.00 -1.54 -0.05 0.00 0.82 0.00 0.00 66.70 65.93 3he0 h VAL 131 Cb 0.78 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 3he0 h VAL 131 CO 0.04 0.48 0.20 0.44 0.02 0.00 0.00 177.57 178.75 3he0 h ASP 132 N 0.36 0.85 -0.43 0.57 3.32 -1.32 -1.99 116.42 117.79 3he0 h ASP 132 Ca 0.03 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 56.84 3he0 h ASP 132 Cb 0.92 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3he0 h ASP 132 CO 0.08 0.80 -0.12 -0.09 -1.72 0.00 0.00 179.24 178.19 3he0 h ARG 133 N 0.90 0.84 -0.02 3.56 2.43 -1.14 0.21 114.38 121.16 3he0 h ARG 133 Ca 0.20 -0.33 0.03 0.00 -0.81 0.00 0.00 59.98 59.08 3he0 h ARG 133 Cb 0.25 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.70 3he0 h ARG 133 CO -0.01 0.96 -0.41 1.25 -1.51 0.00 0.00 179.97 180.26 3he0 h LEU 134 N 0.67 -1.23 -0.50 3.80 5.85 -1.16 0.15 115.31 122.87 3he0 h LEU 134 Ca 0.11 0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.86 3he0 h LEU 134 Cb 0.66 0.49 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3he0 h LEU 134 CO 0.05 -0.44 -0.13 -0.26 -0.34 0.00 0.00 178.44 177.31 3he0 h PHE 135 N -0.55 1.11 -0.46 1.25 0.04 -1.09 0.11 116.94 117.35 3he0 h PHE 135 Ca 0.05 -0.24 -0.02 0.00 2.80 0.00 0.00 57.97 60.56 3he0 h PHE 135 Cb 0.64 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 3he0 h PHE 135 CO -0.42 1.05 0.21 -0.91 -0.60 0.00 0.00 178.31 177.65 3he0 h ASN 136 N 0.84 0.60 -0.34 2.17 2.35 -0.49 -0.42 115.58 120.29 3he0 h ASN 136 Ca 0.13 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 3he0 h ASN 136 Cb 0.70 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 3he0 h ASN 136 CO 0.05 0.57 0.02 -0.61 -1.65 0.00 0.00 177.43 175.81 3he0 h GLN 137 N 0.59 0.58 -0.77 0.81 4.15 -0.50 0.66 115.11 120.63 3he0 h GLN 137 Ca 0.16 -0.17 0.08 0.00 0.77 0.00 0.00 58.65 59.48 3he0 h GLN 137 Cb 0.13 -0.06 -0.07 0.00 0.21 0.00 0.00 27.48 27.70 3he0 h GLN 137 CO -0.02 0.69 0.44 0.78 -1.93 0.00 0.00 178.83 178.79 3he0 h GLY 138 N 0.40 1.17 0.98 2.39 0.00 -0.82 0.10 103.07 107.29 3he0 h GLY 138 Ca 0.10 -0.30 -0.12 0.00 0.00 0.00 0.00 47.33 47.01 3he0 h GLY 138 CO 0.01 0.15 -0.30 0.50 0.00 0.00 0.00 176.54 176.90 3he0 h LYS 139 N 0.76 0.71 -0.75 4.80 1.57 -0.72 0.02 116.57 122.96 3he0 h LYS 139 Ca 0.36 -0.38 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3he0 h LYS 139 Cb 0.29 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 3he0 h LYS 139 CO -0.22 0.99 0.49 0.93 -0.57 0.00 0.00 179.45 181.07 3he0 h GLU 140 N 0.45 0.89 -0.01 3.15 5.08 -0.36 -1.37 114.58 122.41 3he0 h GLU 140 Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3he0 h GLU 140 Cb 0.87 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3he0 h GLU 140 CO 0.07 0.59 0.00 0.39 -1.00 0.00 0.00 179.01 179.06 3he0 n GLU 141 N -4.45 1.18 -1.09 2.33 1.02 0.31 -4.90 120.64 115.04 3he0 n GLU 141 Ca 0.10 -0.26 -0.03 0.00 -0.02 0.00 0.00 57.16 56.94 3he0 n GLU 141 Cb 0.12 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.04 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 1.04 0.61 0.11 0.62 0.00 -0.52 -4.90 105.19 102.16 3he0 n GLY 142 Ca 0.22 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 1.02 -3.31 1.61 2.07 -1.23 -3.45 116.25 112.96 3he0 h VAL 143 Ca -0.07 -2.32 -0.55 0.00 0.82 0.00 0.00 66.70 64.58 3he0 h VAL 143 Cb 0.36 2.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 3he0 h VAL 143 CO 0.10 0.59 -0.20 -0.36 0.02 0.00 0.00 177.57 177.72 3he0 s PHE 144 N -2.42 3.45 0.43 1.57 0.08 -0.94 -1.71 117.98 118.43 3he0 s PHE 144 Ca -0.23 0.73 -0.25 0.00 0.12 0.00 0.00 56.93 57.29 3he0 s PHE 144 Cb 0.04 -2.14 -0.10 0.00 -0.57 0.00 0.00 43.02 40.25 3he0 s PHE 144 CO 0.70 0.33 1.31 1.63 -0.10 0.00 0.00 175.22 179.09 3he0 n LYS 145 N -0.09 2.01 -1.48 0.44 5.02 0.15 -4.61 118.16 119.59 3he0 n LYS 145 Ca -0.01 0.71 -0.40 0.00 -2.02 0.00 0.00 58.31 56.60 3he0 n LYS 145 Cb 0.52 -2.44 -0.02 0.00 -0.02 0.00 0.00 35.03 33.08 3he0 n LYS 145 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3he0 n PRO 146 N 0.00 3.16 -4.39 1.97 -0.04 -1.26 -4.88 135.00 129.57 3he0 n PRO 146 Ca 0.06 -2.35 -0.25 0.00 -0.04 0.00 0.00 63.50 60.92 3he0 n PRO 146 Cb 0.40 -3.02 -0.10 0.00 -0.04 0.00 0.00 33.50 30.74 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 1.16 2.74 0.50 1.53 1.43 -1.26 -5.09 118.68 119.69 3he0 s LEU 147 Ca 0.58 -0.82 -0.21 0.00 -1.03 0.00 0.00 54.13 52.64 3he0 s LEU 147 Cb 0.16 -1.35 -0.08 0.00 0.03 0.00 0.00 46.19 44.95 3he0 s LEU 147 CO -0.07 0.07 0.92 -0.67 0.23 0.00 0.00 176.35 176.84 3he0 n ASP 148 N -0.29 0.77 0.18 2.29 2.03 -1.26 -4.71 116.55 115.56 3he0 n ASP 148 Ca -0.09 0.92 0.14 0.00 0.52 0.00 0.00 54.79 56.28 3he0 n ASP 148 Cb 0.58 -1.34 0.71 0.00 -0.72 0.00 0.00 41.12 40.35 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 1.01 0.00 -0.28 1.67 2.35 -1.97 0.37 115.58 118.72 3he0 h ASN 149 Ca -0.46 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.22 3he0 h ASN 149 Cb 1.36 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.71 3he0 h ASN 149 CO 0.53 0.00 -0.04 -0.33 -1.65 0.00 0.00 177.43 175.95 3he0 h GLU 150 N 0.00 0.65 -0.00 0.81 4.39 -1.99 0.06 114.58 118.49 3he0 h GLU 150 Ca 0.09 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.53 3he0 h GLU 150 Cb 0.39 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3he0 h GLU 150 CO -0.00 0.69 -0.34 0.28 -1.16 0.00 0.00 179.01 178.48 3he0 h VAL 151 N 0.61 1.51 -0.84 3.13 2.07 -1.32 -1.67 116.25 119.73 3he0 h VAL 151 Ca 0.12 -1.97 0.08 0.00 0.82 0.00 0.00 66.70 65.74 3he0 h VAL 151 Cb 0.44 2.71 -0.07 0.00 -1.52 0.00 0.00 31.29 32.85 3he0 h VAL 151 CO 0.02 0.55 0.51 -0.07 0.02 0.00 0.00 177.57 178.60 3he0 h LEU 152 N -0.39 0.76 -0.32 2.57 3.38 -1.17 -0.70 115.31 119.44 3he0 h LEU 152 Ca -0.04 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3he0 h LEU 152 Cb 1.08 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3he0 h LEU 152 CO 0.07 0.46 0.05 -1.28 0.09 0.00 0.00 178.44 177.84 3he0 h SER 153 N 0.89 0.51 -0.28 -0.43 0.87 -0.98 -2.62 113.55 111.50 3he0 h SER 153 Ca 0.39 -0.26 0.03 0.00 -1.23 0.00 0.00 61.79 60.72 3he0 h SER 153 Cb 0.27 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3he0 h SER 153 CO -0.21 0.63 0.19 1.23 -0.53 0.00 0.00 176.83 178.14 3he0 h GLY 154 N 0.36 0.26 1.66 5.77 0.00 -0.54 -0.87 103.07 109.72 3he0 h GLY 154 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3he0 h GLY 154 CO 0.01 0.08 -0.27 1.41 0.00 0.00 0.00 176.54 177.77 3he0 h LEU 155 N 0.23 0.00 0.00 3.11 3.38 -0.80 -3.28 115.31 117.95 3he0 h LEU 155 Ca 0.12 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3he0 h LEU 155 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3he0 h LEU 155 CO -0.02 0.04 0.00 -1.54 0.09 0.00 0.00 178.44 177.00 3he0 n SER 156 N -2.33 0.00 0.06 -0.43 3.41 -0.96 -4.79 113.62 108.58 3he0 n SER 156 Ca 0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.53 3he0 n SER 156 Cb 0.45 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.03 0.00 7.33 0.04 -1.72 -2.54 116.94 119.01 3he0 h PHE 157 Ca 0.00 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 3he0 h PHE 157 Cb 0.00 0.45 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 3he0 h PHE 157 CO 0.00 -0.46 -0.20 0.93 -0.60 0.00 0.00 178.31 177.98 3he0 h GLU 158 N -0.53 0.00 -0.04 1.51 5.08 -1.39 -1.93 114.58 117.28 3he0 h GLU 158 Ca 0.05 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 3he0 h GLU 158 Cb 0.61 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.87 3he0 h GLU 158 CO -0.29 0.20 -0.56 0.00 -1.00 0.00 0.00 179.01 177.36 3he0 h ALA 159 N 1.80 0.12 0.00 3.43 0.00 -1.57 -3.22 119.26 119.83 3he0 h ALA 159 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3he0 h ALA 159 Cb 0.45 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3he0 h ALA 159 CO 0.03 0.36 0.00 -1.13 0.00 0.00 0.00 179.25 178.51 3he0 n SER 160 N -4.22 0.56 -0.31 0.00 3.41 -0.76 0.05 113.62 112.34 3he0 n SER 160 Ca -0.09 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.26 3he0 n SER 160 Cb 0.64 -0.75 0.28 0.00 -0.26 0.00 0.00 64.21 64.13 3he0 n SER 160 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3he0 h VAL 161 N 0.00 0.61 -0.55 -3.33 2.07 -1.47 -0.97 116.25 112.62 3he0 h VAL 161 Ca 0.00 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 3he0 h VAL 161 Cb 0.37 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3he0 h VAL 161 CO 0.00 0.10 0.12 0.00 0.02 0.00 0.00 177.57 177.81 3he0 h ALA 162 N 1.64 0.72 -0.25 1.67 0.00 -0.50 0.16 119.26 122.70 3he0 h ALA 162 Ca 0.53 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3he0 h ALA 162 Cb 0.89 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3he0 h ALA 162 CO -0.44 0.43 0.11 -0.07 0.00 0.00 0.00 179.25 179.28 3he0 h LEU 163 N 0.78 0.35 0.01 0.00 3.38 -1.43 -0.92 115.31 117.48 3he0 h LEU 163 Ca 0.17 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3he0 h LEU 163 Cb 0.36 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3he0 h LEU 163 CO 0.00 0.41 -0.09 0.00 0.09 0.00 0.00 178.44 178.85 3he0 h ALA 164 N 0.95 -0.11 -0.00 1.53 0.00 -0.86 0.26 119.26 121.03 3he0 h ALA 164 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3he0 h ALA 164 Cb 0.17 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3he0 h ALA 164 CO -0.01 -0.59 -0.22 -0.09 0.00 0.00 0.00 179.25 178.34 3he0 h ARG 165 N -0.17 -0.33 0.00 0.00 2.43 -0.59 0.14 114.38 115.86 3he0 h ARG 165 Ca 0.03 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3he0 h ARG 165 Cb 0.21 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3he0 h ARG 165 CO -0.09 -0.22 -0.20 0.87 -1.51 0.00 0.00 179.97 178.83 3he0 h LYS 166 N -0.34 0.00 0.10 0.20 1.57 -1.00 -1.92 116.57 115.18 3he0 h LYS 166 Ca 0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3he0 h LYS 166 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3he0 h LYS 166 CO -0.20 0.20 -0.05 1.25 -0.57 0.00 0.00 179.45 180.08 3he0 h HIS 167 N 0.00 -0.13 -0.28 -1.35 2.76 0.48 -0.79 115.15 115.84 3he0 h HIS 167 Ca -0.00 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.25 3he0 h HIS 167 Cb 0.53 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.52 3he0 h HIS 167 CO 0.00 0.37 0.22 0.00 -1.30 0.00 0.00 177.93 177.22 3he0 h ALA 168 N -0.00 2.19 -0.22 5.26 0.00 -0.60 0.98 119.26 126.86 3he0 h ALA 168 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3he0 h ALA 168 Cb 0.56 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3he0 h ALA 168 CO 0.02 -0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.19 3he0 n LEU 169 N -4.32 1.72 0.00 0.00 4.77 -0.74 -4.96 117.00 113.48 3he0 n LEU 169 Ca 0.04 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 3he0 n LEU 169 Cb 0.37 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3he0 n LEU 169 CO 0.34 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 3he0 n GLY 170 N 1.11 0.78 0.27 -0.72 0.00 0.34 -4.94 105.19 102.01 3he0 n GLY 170 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 -2.52 1.61 0.04 -1.33 -3.43 116.94 111.31 3he0 h PHE 171 Ca 0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 3he0 h PHE 171 Cb 0.00 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 37.98 3he0 h PHE 171 CO 0.00 0.06 0.08 1.52 -0.60 0.00 0.00 178.31 179.36 3he0 s TYR 172 N -4.70 -0.50 -0.15 -0.55 -0.85 -1.26 -5.06 117.35 104.28 3he0 s TYR 172 Ca -0.04 0.69 -0.07 0.00 -0.52 0.00 0.00 57.07 57.12 3he0 s TYR 172 Cb 0.16 0.36 -0.04 0.00 0.38 0.00 0.00 41.96 42.81 3he0 s TYR 172 CO 0.62 -0.62 0.11 -0.65 -1.52 0.00 0.00 175.55 173.49 3he0 s GLN 173 N -1.95 3.69 -0.22 -3.49 -1.52 -1.26 -4.65 119.66 110.27 3he0 s GLN 173 Ca -0.08 -0.22 0.01 0.00 -1.95 0.00 0.00 55.36 53.12 3he0 s GLN 173 Cb -0.01 -3.21 0.05 0.00 -0.22 0.00 0.00 33.01 29.61 3he0 s GLN 173 CO 0.03 0.55 -0.11 -1.17 -0.25 0.00 0.00 175.29 174.34 3he0 s LEU 174 N -0.39 2.60 0.86 2.90 2.96 -1.26 -5.11 118.68 121.25 3he0 s LEU 174 Ca 0.11 -1.03 -0.12 0.00 -0.22 0.00 0.00 54.13 52.87 3he0 s LEU 174 Cb -0.12 -1.34 0.11 0.00 0.50 0.00 0.00 46.19 45.34 3he0 s LEU 174 CO 0.01 -0.15 1.14 1.51 -1.32 0.00 0.00 176.35 177.55 3he0 s ASP 175 N 1.30 3.99 0.26 3.68 1.47 -1.26 -4.76 116.67 121.35 3he0 s ASP 175 Ca -0.03 0.97 -0.05 0.00 1.18 0.00 0.00 52.55 54.62 3he0 s ASP 175 Cb -0.17 -1.56 0.30 0.00 -0.34 0.00 0.00 42.92 41.15 3he0 s ASP 175 CO -0.08 -2.25 1.92 -0.78 0.68 0.00 0.00 175.17 174.66 3he0 h ASP 176 N -1.29 1.09 -0.57 2.11 3.58 -2.00 0.26 116.42 119.61 3he0 h ASP 176 Ca -0.49 -0.05 0.02 0.00 0.42 0.00 0.00 57.03 56.94 3he0 h ASP 176 Cb 1.32 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 42.06 3he0 h ASP 176 CO 0.63 0.82 0.35 0.44 -2.88 0.00 0.00 179.24 178.59 3he0 h ASP 177 N 1.26 0.57 -0.55 2.28 3.32 -1.99 -1.46 116.42 119.85 3he0 h ASP 177 Ca 0.33 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.30 3he0 h ASP 177 Cb -0.09 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3he0 h ASP 177 CO -0.07 0.40 0.03 0.00 -1.72 0.00 0.00 179.24 177.88 3he0 h ALA 178 N 1.25 0.96 -0.23 3.45 0.00 -1.28 -0.79 119.26 122.62 3he0 h ALA 178 Ca 0.23 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3he0 h ALA 178 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3he0 h ALA 178 CO -0.09 0.64 -0.02 1.25 0.00 0.00 0.00 179.25 181.02 3he0 h LEU 179 N 0.91 0.41 -1.36 0.00 5.85 -0.41 -0.58 115.31 120.12 3he0 h LEU 179 Ca 0.17 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 3he0 h LEU 179 Cb 0.49 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3he0 h LEU 179 CO 0.02 0.65 0.14 -0.08 -0.34 0.00 0.00 178.44 178.83 3he0 h GLU 180 N 0.16 0.57 -0.63 1.25 4.57 -1.15 0.28 114.58 119.63 3he0 h GLU 180 Ca 0.06 -0.08 -0.09 0.00 -1.18 0.00 0.00 59.36 58.07 3he0 h GLU 180 Cb 0.45 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 3he0 h GLU 180 CO 0.02 0.49 0.06 0.00 -1.18 0.00 0.00 179.01 178.40 3he0 h ALA 181 N 1.59 0.85 -0.64 2.92 0.00 -0.82 -0.67 119.26 122.49 3he0 h ALA 181 Ca 0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3he0 h ALA 181 Cb 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3he0 h ALA 181 CO -0.01 0.65 0.33 0.00 0.00 0.00 0.00 179.25 180.22 3he0 h ALA 182 N 1.02 0.82 -0.50 0.00 0.00 -0.30 -0.98 119.26 119.31 3he0 h ALA 182 Ca 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3he0 h ALA 182 Cb 0.50 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3he0 h ALA 182 CO 0.02 0.36 0.30 0.82 0.00 0.00 0.00 179.25 180.75 3he0 h ILE 183 N 0.87 1.15 -0.64 0.00 2.04 -0.60 -1.89 117.51 118.44 3he0 h ILE 183 Ca 0.22 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 3he0 h ILE 183 Cb 0.08 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 3he0 h ILE 183 CO -0.03 0.16 0.14 -0.33 0.00 0.00 0.00 178.15 178.08 3he0 h GLU 184 N 0.67 1.02 -0.54 2.37 4.39 -0.95 -1.62 114.58 119.91 3he0 h GLU 184 Ca 0.18 -0.24 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 3he0 h GLU 184 Cb -0.01 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 3he0 h GLU 184 CO -0.03 0.91 -0.05 0.00 -1.16 0.00 0.00 179.01 178.68 3he0 h ALA 185 N 1.18 0.74 -0.38 3.43 0.00 -0.90 -1.80 119.26 121.52 3he0 h ALA 185 Ca 0.20 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3he0 h ALA 185 Cb 0.37 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3he0 h ALA 185 CO 0.00 0.61 -0.15 0.66 0.00 0.00 0.00 179.25 180.37 3he0 h SER 186 N 0.87 0.69 -0.95 0.00 4.64 -1.15 -2.22 113.55 115.44 3he0 h SER 186 Ca 0.15 -0.21 0.02 0.00 -0.47 0.00 0.00 61.79 61.28 3he0 h SER 186 Cb 0.60 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 62.45 3he0 h SER 186 CO 0.04 0.86 0.62 -0.25 -0.87 0.00 0.00 176.83 177.23 3he0 h TRP 187 N 0.63 1.17 -0.70 4.77 2.91 -1.05 -1.65 115.95 122.04 3he0 h TRP 187 Ca 0.10 0.03 0.11 0.00 1.13 0.00 0.00 58.89 60.26 3he0 h TRP 187 Cb 0.61 -0.39 -0.05 0.00 -0.51 0.00 0.00 29.16 28.82 3he0 h TRP 187 CO 0.03 0.70 0.46 -0.44 -1.03 0.00 0.00 178.44 178.16 3he0 h ASP 188 N 1.24 0.46 -0.47 2.65 3.32 -0.71 -1.03 116.42 121.88 3he0 h ASP 188 Ca 0.37 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.39 3he0 h ASP 188 Cb -0.06 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3he0 h ASP 188 CO -0.10 0.27 0.16 0.00 -1.72 0.00 0.00 179.24 177.85 3he0 h ALA 189 N 1.65 1.31 0.00 3.45 0.00 -1.03 -3.27 119.26 121.37 3he0 h ALA 189 Ca 0.33 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3he0 h ALA 189 Cb 0.59 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3he0 h ALA 189 CO -0.11 0.50 -1.71 0.44 0.00 0.00 0.00 179.25 178.38 3he0 n ILE 190 N -4.31 0.00 -2.85 0.00 -5.35 -0.56 -4.94 119.36 101.35 3he0 n ILE 190 Ca 0.04 -0.36 -0.30 0.00 -0.27 0.00 0.00 62.75 61.86 3he0 n ILE 190 Cb 0.19 0.27 -0.03 0.00 -1.74 0.00 0.00 39.64 38.33 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 -3.33 4.79 0.43 7.28 -4.36 -0.50 -0.67 121.20 124.85 3he0 s ILE 191 Ca -0.04 0.59 -0.24 0.00 -0.26 0.00 0.00 60.65 60.71 3he0 s ILE 191 Cb 0.14 -3.74 -0.08 0.00 1.25 0.00 0.00 42.46 40.03 3he0 s ILE 191 CO 0.87 -0.53 1.12 -0.54 0.24 0.00 0.00 174.94 176.09 3he0 s LYS 192 N -3.88 3.96 0.00 0.37 1.02 -0.69 -4.56 119.74 115.96 3he0 s LYS 192 Ca 0.51 1.67 0.00 0.00 0.02 0.00 0.00 55.97 58.17 3he0 s LYS 192 Cb -0.10 -2.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.71 3he0 s LYS 192 CO 0.32 -0.35 0.39 0.72 -0.92 0.00 0.00 175.35 175.51