#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3neh s LEU 3 N 0.00 2.16 0.53 2.46 1.43 -1.26 -5.13 118.68 118.87 3neh s LEU 3 Ca 0.00 -0.44 -0.18 0.00 -1.03 0.00 0.00 54.13 52.48 3neh s LEU 3 Cb 0.00 -0.57 -0.07 0.00 0.03 0.00 0.00 46.19 45.59 3neh s LEU 3 CO 0.00 0.03 1.05 -0.13 0.23 0.00 0.00 176.35 177.52 3neh s ARG 4 N -1.08 3.61 -0.04 1.70 1.81 -1.26 -4.86 118.95 118.83 3neh s ARG 4 Ca 0.01 1.29 0.07 0.00 -1.72 0.00 0.00 55.73 55.38 3neh s ARG 4 Cb -0.08 -2.07 -0.01 0.00 -0.45 0.00 0.00 34.95 32.34 3neh s ARG 4 CO 0.01 -0.58 -0.25 0.08 -0.68 0.00 0.00 175.30 173.88 3neh s VAL 5 N -2.18 2.01 -0.19 3.52 1.01 -0.94 -4.34 120.40 119.30 3neh s VAL 5 Ca 0.66 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 3neh s VAL 5 Cb -0.16 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 3neh s VAL 5 CO 0.27 0.56 -0.07 -0.63 0.00 0.00 0.00 175.10 175.24 3neh s ILE 6 N -0.31 3.34 -0.11 2.22 1.01 0.12 0.43 121.20 127.89 3neh s ILE 6 Ca 0.01 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.15 3neh s ILE 6 Cb -0.12 -2.48 0.02 0.00 0.01 0.00 0.00 42.46 39.89 3neh s ILE 6 CO 0.02 0.46 -0.13 -0.62 0.00 0.00 0.00 174.94 174.67 3neh s ASP 7 N 1.03 2.38 0.00 3.58 2.15 -0.21 -4.17 116.67 121.44 3neh s ASP 7 Ca 0.00 -0.41 0.28 0.00 0.43 0.00 0.00 52.55 52.86 3neh s ASP 7 Cb -0.15 -1.04 1.09 0.00 -0.30 0.00 0.00 42.92 42.52 3neh s ASP 7 CO -0.00 -0.02 1.78 0.35 -0.17 0.00 0.00 175.17 177.10 3neh n THR 8 N 4.41 0.00 -3.27 1.71 -2.24 -0.66 -0.66 114.28 113.57 3neh n THR 8 Ca -0.18 -0.07 0.01 0.00 -2.27 0.00 0.00 64.05 61.54 3neh n THR 8 Cb 0.51 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 3neh n THR 8 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3neh s HIS 9 N -2.53 -1.42 0.09 4.78 5.65 -1.25 -4.27 115.29 116.34 3neh s HIS 9 Ca 0.26 1.65 0.02 0.00 0.25 0.00 0.00 55.06 57.24 3neh s HIS 9 Cb 0.20 0.50 -0.04 0.00 -1.18 0.00 0.00 32.58 32.06 3neh s HIS 9 CO 0.50 -0.81 -0.07 0.00 -0.65 0.00 0.00 174.74 173.70 3neh n ASP 11 N 0.33 5.26 0.12 0.00 8.00 0.21 -1.66 116.55 128.82 3neh n ASP 11 Ca -0.15 -3.76 0.04 0.00 0.71 0.00 0.00 54.79 51.64 3neh n ASP 11 Cb 0.59 -0.72 0.47 0.00 -0.02 0.00 0.00 41.12 41.44 3neh n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3neh h ALA 12 N 1.68 1.70 -0.16 2.24 0.00 -1.85 -2.08 119.26 120.78 3neh h ALA 12 Ca 0.47 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 3neh h ALA 12 Cb 1.48 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3neh h ALA 12 CO 1.05 0.23 -0.03 -0.07 0.00 0.00 0.00 179.25 180.43 3neh h LEU 13 N 0.26 0.30 -0.47 0.00 3.38 -1.84 0.22 115.31 117.17 3neh h LEU 13 Ca 0.06 -0.35 0.09 0.00 0.09 0.00 0.00 57.88 57.77 3neh h LEU 13 Cb 0.15 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 3neh h LEU 13 CO 0.00 0.59 0.01 0.22 0.09 0.00 0.00 178.44 179.34 3neh h TYR 14 N 0.02 -0.02 -0.28 1.13 3.20 -1.71 -0.74 116.97 118.58 3neh h TYR 14 Ca 0.04 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 3neh h TYR 14 Cb 0.45 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 3neh h TYR 14 CO 0.05 -0.10 -0.16 -0.22 -1.64 0.00 0.00 178.16 176.09 3neh h LYS 15 N 0.12 0.61 -0.47 1.82 3.64 -1.07 -1.37 116.57 119.84 3neh h LYS 15 Ca 0.24 -0.28 0.07 0.00 -1.27 0.00 0.00 60.65 59.41 3neh h LYS 15 Cb 0.35 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.10 3neh h LYS 15 CO -0.39 0.86 0.14 -0.07 -2.27 0.00 0.00 179.45 177.72 3neh h LEU 16 N 0.34 0.11 -0.39 5.20 3.38 -0.30 -0.11 115.31 123.56 3neh h LEU 16 Ca 0.06 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3neh h LEU 16 Cb 0.69 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 3neh h LEU 16 CO 0.05 0.09 0.18 -0.61 0.09 0.00 0.00 178.44 178.24 3neh h GLN 17 N 0.30 0.56 0.00 1.13 4.15 -1.02 -2.69 115.11 117.54 3neh h GLN 17 Ca 0.23 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 3neh h GLN 17 Cb 0.26 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 3neh h GLN 17 CO -0.26 0.50 -0.21 0.00 -1.93 0.00 0.00 178.83 176.93 3neh h ALA 18 N 1.03 1.10 0.00 3.38 0.00 -0.83 -2.25 119.26 121.69 3neh h ALA 18 Ca 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3neh h ALA 18 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3neh h ALA 18 CO -0.02 0.26 0.00 0.78 0.00 0.00 0.00 179.25 180.27 3neh h GLY 19 N 1.67 0.00 -6.49 0.00 0.00 -0.68 -3.47 103.07 94.10 3neh h GLY 19 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 3neh h GLY 19 CO 0.03 0.00 -0.79 0.28 0.00 0.00 0.00 176.54 176.06 3neh n LYS 20 N -2.84 -4.57 0.00 4.80 4.76 -0.85 -2.13 118.16 117.33 3neh n LYS 20 Ca 0.01 0.51 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 3neh n LYS 20 Cb 0.29 -5.33 0.00 0.00 -1.84 0.00 0.00 35.03 28.15 3neh n LYS 20 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3neh n GLY 21 N -1.57 0.39 0.23 0.72 0.00 -1.26 -4.95 105.19 98.75 3neh n GLY 21 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 3neh n GLY 21 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3neh h LYS 22 N 3.67 0.00 -5.09 1.61 2.10 -1.77 -3.43 116.57 113.66 3neh h LYS 22 Ca 0.00 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 58.01 3neh h LYS 22 Cb 0.00 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 31.13 3neh h LYS 22 CO 0.00 0.00 -0.60 0.71 -2.00 0.00 0.00 179.45 177.56 3neh s TYR 23 N -3.32 3.14 -0.11 0.07 2.02 -1.26 -5.08 117.35 112.80 3neh s TYR 23 Ca 0.06 -0.22 -0.16 0.00 -0.37 0.00 0.00 57.07 56.38 3neh s TYR 23 Cb 0.06 -2.16 -0.05 0.00 -0.40 0.00 0.00 41.96 39.42 3neh s TYR 23 CO 0.63 -0.15 0.41 -0.08 -1.57 0.00 0.00 175.55 174.79 3neh s THR 24 N 1.08 5.19 0.42 -0.71 -1.32 -1.26 -4.97 115.64 114.08 3neh s THR 24 Ca 0.04 0.81 0.40 0.00 -1.21 0.00 0.00 61.69 61.72 3neh s THR 24 Cb -0.14 -3.74 0.42 0.00 -1.51 0.00 0.00 72.50 67.53 3neh s THR 24 CO 0.03 0.40 2.20 0.15 -2.21 0.00 0.00 174.62 175.19 3neh h PHE 25 N 6.31 0.00 -0.42 9.09 3.57 -1.96 -1.26 116.94 132.27 3neh h PHE 25 Ca -0.43 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.15 3neh h PHE 25 Cb 1.18 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.84 3neh h PHE 25 CO 0.63 0.00 -0.12 0.37 -2.23 0.00 0.00 178.31 176.97 3neh h GLN 26 N 0.00 -0.02 0.00 1.11 5.75 -1.93 0.17 115.11 120.19 3neh h GLN 26 Ca -0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3neh h GLN 26 Cb 0.23 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.78 3neh h GLN 26 CO 0.00 -0.01 -0.01 -0.40 -2.65 0.00 0.00 178.83 175.76 3neh n ASP 27 N -5.33 -0.03 -4.68 -0.69 5.75 -1.09 -1.98 116.55 108.49 3neh n ASP 27 Ca 0.03 -0.85 -0.44 0.00 -0.01 0.00 0.00 54.79 53.51 3neh n ASP 27 Cb 0.24 0.01 -0.04 0.00 -1.03 0.00 0.00 41.12 40.30 3neh n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3neh n ALA 28 N 0.00 1.62 0.20 2.12 0.00 -0.49 -4.83 120.51 119.13 3neh n ALA 28 Ca -0.01 0.30 0.14 0.00 0.00 0.00 0.00 53.44 53.87 3neh n ALA 28 Cb 0.42 -2.57 0.75 0.00 0.00 0.00 0.00 19.45 18.05 3neh n ALA 28 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3neh h GLU 29 N 8.94 0.00 0.00 0.00 9.09 -2.00 -1.53 114.58 129.08 3neh h GLU 29 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.93 3neh h GLU 29 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 3neh h GLU 29 CO 0.94 0.00 0.00 0.93 0.05 0.00 0.00 179.01 180.93 3neh h GLU 30 N 0.00 0.00 -5.21 1.06 3.07 -1.98 -3.42 114.58 108.11 3neh h GLU 30 Ca 0.07 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 58.28 3neh h GLU 30 Cb 0.33 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.08 3neh h GLU 30 CO -0.00 0.00 -0.07 -0.51 -1.40 0.00 0.00 179.01 177.03 3neh s LEU 31 N -5.45 4.39 0.35 1.33 1.43 -0.58 -4.93 118.68 115.21 3neh s LEU 31 Ca 0.04 -0.09 0.06 0.00 -1.03 0.00 0.00 54.13 53.11 3neh s LEU 31 Cb 0.09 -2.57 0.74 0.00 0.03 0.00 0.00 46.19 44.48 3neh s LEU 31 CO 0.51 -0.49 1.90 0.44 0.23 0.00 0.00 176.35 178.95 3neh h ASP 32 N 8.49 0.71 -3.56 2.29 3.32 -1.85 -3.34 116.42 122.48 3neh h ASP 32 Ca -0.28 0.02 -0.67 0.00 0.02 0.00 0.00 57.03 56.12 3neh h ASP 32 Cb 1.12 -0.12 -0.27 0.00 0.22 0.00 0.00 39.33 40.28 3neh h ASP 32 CO 0.77 0.41 -0.67 -0.69 -1.72 0.00 0.00 179.24 177.35 3neh s VAL 33 N -5.72 3.65 0.24 -1.35 1.01 -1.26 -1.28 120.40 115.69 3neh s VAL 33 Ca -0.10 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3neh s VAL 33 Cb 0.21 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 3neh s VAL 33 CO 0.79 0.18 0.19 0.54 0.00 0.00 0.00 175.10 176.79 3neh s ASN 34 N 1.46 0.64 0.09 3.32 2.20 -1.26 -4.95 114.94 116.44 3neh s ASN 34 Ca 0.03 -1.50 -0.24 0.00 -0.94 0.00 0.00 52.86 50.21 3neh s ASN 34 Cb -0.16 0.44 -0.14 0.00 -2.00 0.00 0.00 41.25 39.39 3neh s ASN 34 CO 0.00 -0.92 1.72 0.15 -2.94 0.00 0.00 177.10 175.11 3neh h PHE 35 N 2.45 -0.14 -0.89 1.54 3.57 -0.53 -0.66 116.94 122.29 3neh h PHE 35 Ca -0.32 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.17 3neh h PHE 35 Cb 1.24 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.99 3neh h PHE 35 CO 0.79 -0.09 0.51 0.93 -2.23 0.00 0.00 178.31 178.22 3neh h GLU 36 N -0.13 1.23 -0.23 1.11 5.08 -1.65 -1.93 114.58 118.07 3neh h GLU 36 Ca 0.00 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 3neh h GLU 36 Cb 0.12 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3neh h GLU 36 CO -0.01 0.88 -0.31 0.00 -1.00 0.00 0.00 179.01 178.57 3neh h ARG 37 N 1.24 0.46 -0.47 2.33 3.08 -1.78 -1.91 114.38 117.33 3neh h ARG 37 Ca 0.32 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 60.10 3neh h ARG 37 Cb -0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3neh h ARG 37 CO -0.05 0.72 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.47 3neh h LEU 38 N 0.40 0.77 -0.29 3.04 3.38 -0.61 0.40 115.31 122.40 3neh h LEU 38 Ca 0.05 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.83 3neh h LEU 38 Cb 0.74 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3neh h LEU 38 CO 0.06 0.85 0.17 0.40 0.09 0.00 0.00 178.44 180.01 3neh h ILE 39 N 0.74 1.04 -0.16 1.22 1.08 -1.10 -2.58 117.51 117.74 3neh h ILE 39 Ca 0.14 -0.12 -0.02 0.00 -0.39 0.00 0.00 64.86 64.47 3neh h ILE 39 Cb 0.48 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 3neh h ILE 39 CO 0.02 0.06 -0.00 -0.08 -0.69 0.00 0.00 178.15 177.47 3neh h GLU 40 N 0.35 0.23 0.00 2.37 4.81 -0.77 -1.86 114.58 119.71 3neh h GLU 40 Ca 0.11 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3neh h GLU 40 Cb -0.01 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3neh h GLU 40 CO -0.05 0.26 0.00 0.00 -0.73 0.00 0.00 179.01 178.49 3neh h ALA 41 N 1.78 1.00 -5.31 2.92 0.00 -0.65 -3.43 119.26 115.56 3neh h ALA 41 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.58 3neh h ALA 41 Cb 0.17 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.07 3neh h ALA 41 CO 0.00 0.00 -0.63 1.63 0.00 0.00 0.00 179.25 180.25 3neh n LYS 42 N -2.82 -6.95 -1.84 0.00 5.02 -0.70 -4.52 118.16 106.34 3neh n LYS 42 Ca 0.03 0.81 -0.42 0.00 -2.02 0.00 0.00 58.31 56.72 3neh n LYS 42 Cb 0.40 -5.72 -0.02 0.00 -0.02 0.00 0.00 35.03 29.67 3neh n LYS 42 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 3neh s MET 43 N -6.11 4.17 -0.21 1.97 1.75 -1.02 -2.22 119.30 117.62 3neh s MET 43 Ca 0.50 2.49 -0.06 0.00 -1.25 0.00 0.00 55.69 57.37 3neh s MET 43 Cb -0.22 -3.06 -0.19 0.00 2.84 0.00 0.00 34.83 34.19 3neh s MET 43 CO 0.62 -0.60 -0.02 -0.11 -0.65 0.00 0.00 175.02 174.26 3neh n LEU 44 N 2.67 2.56 -3.68 4.11 7.94 0.17 -4.61 117.00 126.15 3neh n LEU 44 Ca 0.10 0.12 -0.11 0.00 -1.11 0.00 0.00 56.01 55.01 3neh n LEU 44 Cb 0.38 -0.97 -0.11 0.00 0.53 0.00 0.00 43.42 43.25 3neh n LEU 44 CO 0.63 0.77 -0.01 -0.22 -1.11 0.00 0.00 177.39 177.44 3neh s LEU 45 N -7.02 -0.19 -0.13 -1.96 2.96 -0.95 -0.35 118.68 111.03 3neh s LEU 45 Ca -0.31 0.81 0.01 0.00 -0.22 0.00 0.00 54.13 54.42 3neh s LEU 45 Cb 0.09 1.14 -0.01 0.00 0.50 0.00 0.00 46.19 47.91 3neh s LEU 45 CO 0.63 -0.21 -0.16 -1.58 -1.32 0.00 0.00 176.35 173.71 3neh s GLN 46 N 1.88 3.27 -0.11 1.98 2.00 -0.54 -1.04 119.66 127.10 3neh s GLN 46 Ca -0.06 -0.75 -0.22 0.00 -2.00 0.00 0.00 55.36 52.34 3neh s GLN 46 Cb -0.10 -2.54 -0.03 0.00 0.80 0.00 0.00 33.01 31.13 3neh s GLN 46 CO -0.11 0.18 0.67 0.20 -0.50 0.00 0.00 175.29 175.72 3neh s GLY 47 N 0.42 2.41 -0.36 2.59 0.00 0.16 -1.53 107.32 111.01 3neh s GLY 47 Ca -0.12 -0.01 -0.06 0.00 0.00 0.00 0.00 44.72 44.53 3neh s GLY 47 CO 0.06 1.20 0.14 -1.36 0.00 0.00 0.00 173.10 173.14 3neh s PHE 48 N 1.15 3.32 0.35 1.90 0.40 0.11 -1.42 117.98 123.78 3neh s PHE 48 Ca 0.34 -1.64 -0.27 0.00 -0.60 0.00 0.00 56.93 54.77 3neh s PHE 48 Cb -0.17 -2.54 -0.09 0.00 0.51 0.00 0.00 43.02 40.73 3neh s PHE 48 CO 0.15 -0.80 1.08 0.00 0.70 0.00 0.00 175.22 176.35 3neh s ALA 49 N 1.35 3.23 -0.36 5.36 0.00 -0.67 -1.50 121.76 129.18 3neh s ALA 49 Ca 0.00 0.81 -0.18 0.00 0.00 0.00 0.00 51.96 52.59 3neh s ALA 49 Cb -0.21 -3.31 -0.00 0.00 0.00 0.00 0.00 23.12 19.61 3neh s ALA 49 CO 0.01 -0.22 0.50 0.42 0.00 0.00 0.00 175.76 176.48 3neh s ILE 50 N -1.41 5.02 -0.08 0.00 1.01 0.73 -4.53 121.20 121.93 3neh s ILE 50 Ca 0.52 0.26 -0.05 0.00 0.00 0.00 0.00 60.65 61.38 3neh s ILE 50 Cb -0.27 -3.97 0.04 0.00 0.01 0.00 0.00 42.46 38.26 3neh s ILE 50 CO 0.35 -0.24 0.20 0.12 0.00 0.00 0.00 174.94 175.37 3neh s PHE 51 N 2.37 -0.25 -0.09 3.97 5.36 -1.26 -1.44 117.98 126.64 3neh s PHE 51 Ca 0.18 0.62 0.03 0.00 -0.96 0.00 0.00 56.93 56.81 3neh s PHE 51 Cb -0.16 0.02 -0.01 0.00 -0.34 0.00 0.00 43.02 42.53 3neh s PHE 51 CO 0.13 -0.18 -0.19 -0.51 -1.46 0.00 0.00 175.22 173.02 3neh s LEU 52 N 0.87 2.39 0.34 6.12 1.43 -1.26 -4.59 118.68 123.98 3neh s LEU 52 Ca -0.06 -0.41 -0.25 0.00 -1.03 0.00 0.00 54.13 52.38 3neh s LEU 52 Cb -0.08 -1.49 -0.14 0.00 0.03 0.00 0.00 46.19 44.52 3neh s LEU 52 CO -0.05 0.22 0.68 0.47 0.23 0.00 0.00 176.35 177.90 3neh n ASP 53 N 3.13 -0.29 0.28 2.29 8.00 -1.26 -4.80 116.55 123.89 3neh n ASP 53 Ca -0.18 1.04 0.19 0.00 0.71 0.00 0.00 54.79 56.54 3neh n ASP 53 Cb 0.52 -1.13 0.92 0.00 -0.02 0.00 0.00 41.12 41.41 3neh n ASP 53 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3neh h GLU 54 N 1.21 0.00 0.00 -1.24 4.11 -2.04 -1.89 114.58 114.74 3neh h GLU 54 Ca -0.38 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 58.91 3neh h GLU 54 Cb 1.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 3neh h GLU 54 CO 0.55 0.00 -0.68 0.38 0.07 0.00 0.00 179.01 179.33 3neh h ASP 55 N 0.00 0.00 -1.74 3.06 3.04 -2.06 -3.44 116.42 115.28 3neh h ASP 55 Ca 0.00 0.00 -0.69 0.00 -3.24 0.00 0.00 57.03 53.10 3neh h ASP 55 Cb 0.16 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.47 3neh h ASP 55 CO 0.00 0.67 0.97 -0.38 -2.04 0.00 0.00 179.24 178.46 3neh n ILE 56 N -3.26 0.41 -1.73 4.15 2.08 -0.71 -4.84 119.36 115.46 3neh n ILE 56 Ca 0.01 -0.07 -0.37 0.00 0.56 0.00 0.00 62.75 62.87 3neh n ILE 56 Cb 0.80 -1.47 0.06 0.00 -0.75 0.00 0.00 39.64 38.28 3neh n ILE 56 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3neh n PRO 57 N 5.83 1.26 -0.12 0.38 -0.02 -1.26 -4.75 135.00 136.32 3neh n PRO 57 Ca 0.25 0.48 0.27 0.00 -2.02 0.00 0.00 63.50 62.48 3neh n PRO 57 Cb 0.19 -2.53 0.72 0.00 -0.02 0.00 0.00 33.50 31.87 3neh n PRO 57 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3neh h VAL 58 N 0.76 0.52 0.00 -1.45 3.04 -1.93 0.26 116.25 117.44 3neh h VAL 58 Ca -0.51 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.15 3neh h VAL 58 Cb 1.33 0.57 -0.00 0.00 -2.01 0.00 0.00 31.29 31.18 3neh h VAL 58 CO 0.54 0.00 -0.13 -0.33 -1.01 0.00 0.00 177.57 176.64 3neh h GLU 59 N 0.00 0.00 -0.00 4.17 3.07 -2.00 -3.28 114.58 116.55 3neh h GLU 59 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 3neh h GLU 59 Cb 1.58 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.49 3neh h GLU 59 CO -0.00 0.13 0.00 0.72 -1.40 0.00 0.00 179.01 178.45 3neh n HIS 60 N -3.99 0.00 -0.22 4.33 8.25 0.04 -4.73 115.22 118.90 3neh n HIS 60 Ca -0.02 -0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.37 3neh n HIS 60 Cb 0.22 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.37 3neh n HIS 60 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3neh h LYS 61 N 0.10 0.84 -0.02 -0.41 1.57 -1.51 -1.22 116.57 115.91 3neh h LYS 61 Ca 0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3neh h LYS 61 Cb 0.03 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 3neh h LYS 61 CO 0.00 0.57 0.01 2.35 -0.57 0.00 0.00 179.45 181.80 3neh h TRP 62 N 0.85 0.04 -0.86 -1.35 -0.00 -1.83 -0.30 115.95 112.51 3neh h TRP 62 Ca 0.23 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.11 3neh h TRP 62 Cb -0.08 -0.01 -0.04 0.00 -0.00 0.00 0.00 29.16 29.03 3neh h TRP 62 CO -0.03 0.24 0.54 1.57 -0.00 0.00 0.00 178.44 180.76 3neh h LYS 63 N -0.17 1.15 -0.22 2.65 2.10 -1.84 -0.76 116.57 119.49 3neh h LYS 63 Ca 0.01 -0.09 -0.12 0.00 -2.00 0.00 0.00 60.65 58.45 3neh h LYS 63 Cb 0.22 -0.25 -0.01 0.00 -0.90 0.00 0.00 32.23 31.29 3neh h LYS 63 CO -0.00 0.79 -0.37 0.87 -2.00 0.00 0.00 179.45 178.74 3neh h LYS 64 N 1.18 0.48 -0.27 0.07 1.79 -1.01 -0.86 116.57 117.95 3neh h LYS 64 Ca 0.31 -0.23 -0.09 0.00 -2.18 0.00 0.00 60.65 58.47 3neh h LYS 64 Cb -0.08 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 3neh h LYS 64 CO -0.06 0.78 -0.19 0.00 -1.08 0.00 0.00 179.45 178.90 3neh h ALA 65 N 1.20 0.38 -0.90 3.86 0.00 -0.49 -2.50 119.26 120.82 3neh h ALA 65 Ca 0.04 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.64 3neh h ALA 65 Cb 0.83 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 3neh h ALA 65 CO 0.07 0.31 0.58 0.28 0.00 0.00 0.00 179.25 180.49 3neh h VAL 66 N 0.32 1.16 -0.92 0.00 2.07 -1.02 -1.48 116.25 116.39 3neh h VAL 66 Ca 0.05 -0.39 0.09 0.00 0.82 0.00 0.00 66.70 67.27 3neh h VAL 66 Cb 0.72 -0.08 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 3neh h VAL 66 CO 0.05 0.21 0.57 -0.08 0.02 0.00 0.00 177.57 178.33 3neh h GLU 67 N 1.14 0.93 -0.59 1.57 4.81 -1.03 -0.07 114.58 121.34 3neh h GLU 67 Ca 0.36 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.42 3neh h GLU 67 Cb -0.01 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 3neh h GLU 67 CO -0.11 0.62 -0.04 1.96 -0.73 0.00 0.00 179.01 180.71 3neh h GLN 68 N 0.96 1.07 -0.59 1.92 4.20 -0.84 0.58 115.11 122.41 3neh h GLN 68 Ca 0.43 -0.36 0.02 0.00 0.06 0.00 0.00 58.65 58.81 3neh h GLN 68 Cb 0.33 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 3neh h GLN 68 CO -0.23 1.06 0.37 0.28 -0.67 0.00 0.00 178.83 179.64 3neh h VAL 69 N 0.96 1.08 -0.69 -0.54 2.07 -0.61 -0.48 116.25 118.04 3neh h VAL 69 Ca 0.16 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 3neh h VAL 69 Cb 0.60 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3neh h VAL 69 CO 0.04 0.13 0.14 0.78 0.02 0.00 0.00 177.57 178.67 3neh h ASN 70 N 0.72 1.06 -0.46 0.57 2.35 -0.48 -1.04 115.58 118.31 3neh h ASN 70 Ca 0.24 -0.24 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 3neh h ASN 70 Cb 0.01 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.06 3neh h ASN 70 CO -0.10 1.04 0.21 0.40 -1.65 0.00 0.00 177.43 177.34 3neh h ILE 71 N 1.05 0.93 -0.25 2.81 2.04 -0.59 0.47 117.51 123.97 3neh h ILE 71 Ca 0.21 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.97 3neh h ILE 71 Cb 0.41 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 3neh h ILE 71 CO 0.01 0.08 -0.05 0.15 0.00 0.00 0.00 178.15 178.34 3neh h PHE 72 N 0.43 -0.11 -0.08 1.37 3.57 -0.60 0.32 116.94 121.84 3neh h PHE 72 Ca 0.20 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.59 3neh h PHE 72 Cb 0.14 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3neh h PHE 72 CO -0.12 -0.09 -0.54 0.87 -2.23 0.00 0.00 178.31 176.20 3neh h LYS 73 N 0.02 0.24 0.02 1.11 1.57 -0.81 -0.26 116.57 118.46 3neh h LYS 73 Ca 0.12 -0.15 -0.31 0.00 -1.87 0.00 0.00 60.65 58.45 3neh h LYS 73 Cb 0.18 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 3neh h LYS 73 CO -0.25 0.72 -1.77 1.04 -0.57 0.00 0.00 179.45 178.62 3neh n GLN 74 N -3.92 0.65 -0.00 3.15 6.02 0.12 -4.19 117.38 119.22 3neh n GLN 74 Ca -0.02 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 3neh n GLN 74 Cb 0.57 -1.77 -0.00 0.00 1.02 0.00 0.00 30.24 30.06 3neh n GLN 74 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3neh n HIS 75 N -3.11 0.00 -0.12 1.08 8.25 0.11 -4.74 115.22 116.68 3neh n HIS 75 Ca -0.20 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.01 3neh n HIS 75 Cb 1.05 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 32.05 3neh n HIS 75 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3neh n VAL 76 N -1.53 1.53 -2.10 1.59 0.31 -0.77 -4.74 118.33 112.62 3neh n VAL 76 Ca -0.00 -0.22 -0.38 0.00 -0.01 0.00 0.00 64.34 63.72 3neh n VAL 76 Cb 0.03 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 30.99 3neh n VAL 76 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3neh s LEU 77 N -7.67 4.08 0.00 7.52 1.02 -0.18 -2.96 118.68 120.48 3neh s LEU 77 Ca -0.34 2.52 0.00 0.00 0.02 0.00 0.00 54.13 56.32 3neh s LEU 77 Cb 0.11 -4.10 0.00 0.00 0.02 0.00 0.00 46.19 42.22 3neh s LEU 77 CO 0.52 -0.98 0.00 1.41 0.02 0.00 0.00 176.35 177.32 3neh n HIS 78 N -0.30 0.00 -1.62 0.29 8.25 -0.85 -4.82 115.22 116.17 3neh n HIS 78 Ca 0.06 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 57.05 3neh n HIS 78 Cb 0.46 -0.71 -0.04 0.00 1.12 0.00 0.00 29.99 30.82 3neh n HIS 78 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3neh n LYS 79 N -1.76 1.60 -1.52 -0.41 4.76 -1.16 0.10 118.16 119.77 3neh n LYS 79 Ca 0.00 0.57 -0.10 0.00 -2.87 0.00 0.00 58.31 55.91 3neh n LYS 79 Cb 0.07 -2.18 -0.04 0.00 -1.84 0.00 0.00 35.03 31.04 3neh n LYS 79 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3neh n GLY 80 N 2.34 0.66 3.57 0.72 0.00 -1.26 0.92 105.19 112.13 3neh n GLY 80 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3neh n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3neh n GLY 81 N -0.30 0.01 0.11 -0.02 0.00 0.12 -4.77 105.19 100.33 3neh n GLY 81 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 3neh n GLY 81 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3neh n ILE 82 N -2.00 1.40 -2.56 -0.61 5.41 0.26 -4.89 119.36 116.37 3neh n ILE 82 Ca 0.00 -0.77 -0.43 0.00 1.00 0.00 0.00 62.75 62.55 3neh n ILE 82 Cb 0.21 -0.72 -0.02 0.00 -0.71 0.00 0.00 39.64 38.40 3neh n ILE 82 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3neh s ILE 83 N -2.49 4.51 -0.12 1.39 -1.09 -0.80 -1.15 121.20 121.45 3neh s ILE 83 Ca -0.16 1.82 0.01 0.00 -2.23 0.00 0.00 60.65 60.09 3neh s ILE 83 Cb 0.07 -4.17 -0.01 0.00 -1.58 0.00 0.00 42.46 36.77 3neh s ILE 83 CO 0.76 -0.10 -0.18 -2.28 -1.23 0.00 0.00 174.94 171.91 3neh s HIS 84 N 2.88 2.71 -0.34 3.97 5.65 0.44 -2.00 115.29 128.61 3neh s HIS 84 Ca 0.50 -0.88 -0.29 0.00 0.25 0.00 0.00 55.06 54.64 3neh s HIS 84 Cb -0.19 -1.81 -0.01 0.00 -1.18 0.00 0.00 32.58 29.39 3neh s HIS 84 CO 0.14 -0.35 1.63 -1.58 -0.65 0.00 0.00 174.74 173.93 3neh s HIS 85 N 0.45 2.07 -0.52 3.88 2.46 -1.26 -1.39 115.29 120.98 3neh s HIS 85 Ca -0.13 0.63 -0.27 0.00 0.47 0.00 0.00 55.06 55.76 3neh s HIS 85 Cb -0.17 -4.17 0.03 0.00 -0.13 0.00 0.00 32.58 28.15 3neh s HIS 85 CO 0.05 -2.60 1.08 0.08 -2.47 0.00 0.00 174.74 170.89 3neh s VAL 86 N 6.07 4.22 -0.08 0.89 1.01 0.02 -4.84 120.40 127.69 3neh s VAL 86 Ca 0.72 0.85 0.13 0.00 0.00 0.00 0.00 61.98 63.68 3neh s VAL 86 Cb -0.20 -4.61 -0.19 0.00 0.00 0.00 0.00 36.38 31.38 3neh s VAL 86 CO 0.32 -1.12 0.17 0.29 0.00 0.00 0.00 175.10 174.77 3neh n LYS 87 N 7.86 1.20 -4.17 2.72 5.02 -1.26 -4.44 118.16 125.09 3neh n LYS 87 Ca 0.08 -0.06 -0.15 0.00 -2.02 0.00 0.00 58.31 56.16 3neh n LYS 87 Cb 0.49 -1.35 -0.11 0.00 -0.02 0.00 0.00 35.03 34.04 3neh n LYS 87 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3neh s LYS 88 N -2.63 0.83 0.59 1.97 1.02 -1.26 -4.72 119.74 115.54 3neh s LYS 88 Ca -0.06 -1.12 0.32 0.00 0.02 0.00 0.00 55.97 55.13 3neh s LYS 88 Cb 0.06 -0.55 1.85 0.00 -0.52 0.00 0.00 37.83 38.67 3neh s LYS 88 CO 0.58 0.09 2.24 -1.49 -0.92 0.00 0.00 175.35 175.84 3neh h TRP 89 N 3.68 0.00 0.00 3.18 4.06 -1.94 -0.04 115.95 124.89 3neh h TRP 89 Ca -0.38 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.50 3neh h TRP 89 Cb 1.19 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.34 3neh h TRP 89 CO 0.63 0.02 -0.36 0.00 -3.56 0.00 0.00 178.44 175.17 3neh h ASP 91 N 0.00 0.21 0.23 0.00 3.32 -1.39 -0.72 116.42 118.07 3neh h ASP 91 Ca -0.00 -0.02 -0.33 0.00 0.02 0.00 0.00 57.03 56.70 3neh h ASP 91 Cb 0.84 -0.05 0.03 0.00 0.22 0.00 0.00 39.33 40.37 3neh h ASP 91 CO 0.05 0.22 -1.52 0.25 -1.72 0.00 0.00 179.24 176.52 3neh h LEU 92 N 0.23 0.76 -1.51 1.55 5.85 -1.45 -2.45 115.31 118.29 3neh h LEU 92 Ca 0.06 -0.93 -0.05 0.00 0.84 0.00 0.00 57.88 57.80 3neh h LEU 92 Cb 0.10 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3neh h LEU 92 CO -0.00 1.72 -0.25 -0.33 -0.34 0.00 0.00 178.44 179.23 3neh h GLU 93 N 0.09 0.00 -0.42 1.25 5.08 -1.22 -2.92 114.58 116.45 3neh h GLU 93 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3neh h GLU 93 Cb 2.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.37 3neh h GLU 93 CO 0.24 0.25 0.00 0.09 -1.00 0.00 0.00 179.01 178.59 3neh n ASN 94 N -3.95 4.24 -4.69 1.42 3.02 -0.29 -5.00 115.26 110.00 3neh n ASN 94 Ca -0.02 -2.69 -0.42 0.00 -0.03 0.00 0.00 54.58 51.42 3neh n ASN 94 Cb 0.33 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.95 3neh n ASN 94 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3neh s LEU 95 N -2.26 4.36 0.41 3.41 2.96 -0.92 -4.97 118.68 121.66 3neh s LEU 95 Ca 0.43 2.43 -0.26 0.00 -0.22 0.00 0.00 54.13 56.51 3neh s LEU 95 Cb 0.31 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 43.35 3neh s LEU 95 CO 0.15 -0.84 1.36 -2.84 -1.32 0.00 0.00 176.35 172.86 3neh s PRO 96 N 2.35 3.93 0.58 0.98 0.02 -1.26 -4.89 135.00 136.72 3neh s PRO 96 Ca 0.71 2.29 0.29 0.00 0.02 0.00 0.00 61.00 64.31 3neh s PRO 96 Cb -0.39 -2.78 1.49 0.00 0.02 0.00 0.00 34.50 32.85 3neh s PRO 96 CO 0.31 -0.57 1.93 0.93 -0.33 0.00 0.00 177.00 179.27 3neh h GLU 97 N 2.67 0.00 -0.01 5.54 5.08 -2.02 -0.96 114.58 124.87 3neh h GLU 97 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3neh h GLU 97 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3neh h GLU 97 CO 0.63 0.00 -0.07 -0.40 -1.00 0.00 0.00 179.01 178.16 3neh n ASP 98 N -3.82 1.05 -4.89 1.42 5.75 -1.26 -4.90 116.55 109.90 3neh n ASP 98 Ca 0.08 -1.16 -0.24 0.00 -0.01 0.00 0.00 54.79 53.46 3neh n ASP 98 Cb 0.63 0.02 -0.04 0.00 -1.03 0.00 0.00 41.12 40.71 3neh n ASP 98 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3neh s LYS 99 N -2.18 3.21 -0.21 0.11 -0.14 -0.37 -4.90 119.74 115.27 3neh s LYS 99 Ca 0.35 -0.79 -0.03 0.00 -1.36 0.00 0.00 55.97 54.15 3neh s LYS 99 Cb 0.21 -2.80 -0.00 0.00 -1.68 0.00 0.00 37.83 33.56 3neh s LYS 99 CO 0.40 0.47 -0.07 0.42 -0.76 0.00 0.00 175.35 175.81 3neh s ILE 100 N -1.87 3.15 0.34 2.17 1.01 -0.30 -4.86 121.20 120.83 3neh s ILE 100 Ca 0.33 -0.57 -0.25 0.00 0.00 0.00 0.00 60.65 60.16 3neh s ILE 100 Cb -0.10 -2.41 -0.10 0.00 0.01 0.00 0.00 42.46 39.86 3neh s ILE 100 CO 0.27 0.45 0.94 -0.83 0.00 0.00 0.00 174.94 175.77 3neh s GLY 101 N 1.37 2.72 -0.04 6.18 0.00 0.52 -0.42 107.32 117.66 3neh s GLY 101 Ca 0.05 0.50 0.01 0.00 0.00 0.00 0.00 44.72 45.27 3neh s GLY 101 CO -0.04 0.91 -0.05 0.00 0.00 0.00 0.00 173.10 173.92 3neh s ALA 102 N -1.72 0.68 0.15 3.20 0.00 -0.48 -1.47 121.76 122.12 3neh s ALA 102 Ca 0.52 -0.06 0.07 0.00 0.00 0.00 0.00 51.96 52.49 3neh s ALA 102 Cb -0.17 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 3neh s ALA 102 CO 0.22 0.01 -0.16 0.00 0.00 0.00 0.00 175.76 175.83 3neh s MET 103 N 0.85 1.18 0.00 0.00 0.23 -0.58 -0.80 119.30 120.19 3neh s MET 103 Ca -0.12 -1.37 -0.11 0.00 -1.03 0.00 0.00 55.69 53.06 3neh s MET 103 Cb -0.14 -1.12 -0.05 0.00 -1.53 0.00 0.00 34.83 31.98 3neh s MET 103 CO 0.00 0.22 0.34 -0.51 -2.03 0.00 0.00 175.02 173.04 3neh s LEU 104 N -2.69 4.41 0.21 0.18 1.43 -1.26 0.05 118.68 121.01 3neh s LEU 104 Ca 0.14 0.77 0.03 0.00 -1.03 0.00 0.00 54.13 54.04 3neh s LEU 104 Cb -0.04 -2.63 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 3neh s LEU 104 CO 0.05 0.28 -0.01 0.42 0.23 0.00 0.00 176.35 177.33 3neh s THR 105 N -1.20 0.93 -0.18 5.49 -4.23 -0.57 -1.41 115.64 114.48 3neh s THR 105 Ca 0.26 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 3neh s THR 105 Cb -0.15 -2.23 0.01 0.00 1.34 0.00 0.00 72.50 71.48 3neh s THR 105 CO 0.14 -0.40 -0.18 -0.22 -0.54 0.00 0.00 174.62 173.41 3neh s LEU 106 N -3.25 2.25 -1.05 4.79 2.96 -0.12 -0.19 118.68 124.06 3neh s LEU 106 Ca 0.26 -0.60 -0.10 0.00 -0.22 0.00 0.00 54.13 53.47 3neh s LEU 106 Cb 0.05 -1.52 0.26 0.00 0.50 0.00 0.00 46.19 45.49 3neh s LEU 106 CO 0.07 0.01 1.05 -0.70 -1.32 0.00 0.00 176.35 175.45 3neh s GLU 107 N 1.23 4.07 0.00 1.98 2.12 -0.52 -0.56 118.70 127.03 3neh s GLU 107 Ca 0.03 -3.04 0.00 0.00 0.36 0.00 0.00 54.97 52.33 3neh s GLU 107 Cb -0.14 -4.55 0.00 0.00 0.26 0.00 0.00 34.13 29.71 3neh s GLU 107 CO -0.10 -1.27 0.00 0.41 -0.54 0.00 0.00 175.26 173.76 3neh n GLY 108 N 3.02 0.15 0.53 -1.50 0.00 0.15 -4.50 105.19 103.03 3neh n GLY 108 Ca 0.22 -1.42 0.05 0.00 0.00 0.00 0.00 46.02 44.87 3neh n GLY 108 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3neh n ILE 109 N 0.83 0.38 -0.32 -0.61 -6.64 -0.66 -4.45 119.36 107.89 3neh n ILE 109 Ca 0.00 -0.38 0.17 0.00 -1.77 0.00 0.00 62.75 60.77 3neh n ILE 109 Cb 0.00 0.19 0.34 0.00 -1.44 0.00 0.00 39.64 38.73 3neh n ILE 109 CO 0.00 0.00 0.00 -0.33 -1.77 0.00 0.00 176.55 174.45 3neh h GLU 110 N 1.68 0.06 0.00 6.28 3.07 -1.89 -1.31 114.58 122.47 3neh h GLU 110 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3neh h GLU 110 Cb 0.38 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3neh h GLU 110 CO 0.00 0.04 0.00 -1.35 -1.40 0.00 0.00 179.01 176.30 3neh h PRO 111 N 0.07 0.00 -0.00 2.33 0.11 -1.87 -2.65 132.00 129.98 3neh h PRO 111 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.74 3neh h PRO 111 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3neh h PRO 111 CO -0.82 0.00 -0.22 0.44 -0.21 0.00 0.00 178.00 177.19 3neh n ILE 112 N -2.88 0.00 0.00 4.15 -5.35 -0.49 -3.70 119.36 111.08 3neh n ILE 112 Ca -0.01 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 3neh n ILE 112 Cb 0.18 0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 3neh n ILE 112 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3neh n GLY 113 N 1.36 3.24 1.66 3.28 0.00 -1.00 -0.81 105.19 112.93 3neh n GLY 113 Ca 0.11 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.17 3neh n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3neh n ARG 114 N 14.00 3.96 -3.34 1.61 1.74 -1.26 -4.90 116.66 128.47 3neh n ARG 114 Ca 0.00 -2.93 -0.46 0.00 -0.77 0.00 0.00 57.85 53.69 3neh n ARG 114 Cb 0.00 -1.97 -0.05 0.00 -1.02 0.00 0.00 32.46 29.42 3neh n ARG 114 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3neh s ASP 115 N -0.87 6.25 0.58 0.55 -1.08 0.01 -4.91 116.67 117.20 3neh s ASP 115 Ca 0.52 -1.98 0.28 0.00 -0.52 0.00 0.00 52.55 50.85 3neh s ASP 115 Cb 0.35 -2.19 1.70 0.00 -1.46 0.00 0.00 42.92 41.31 3neh s ASP 115 CO 0.23 -0.79 2.17 0.25 0.52 0.00 0.00 175.17 177.56 3neh h LEU 116 N 8.62 0.00 -1.03 -1.34 6.46 -1.91 -0.88 115.31 125.25 3neh h LEU 116 Ca -0.21 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.45 3neh h LEU 116 Cb 1.08 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.00 3neh h LEU 116 CO 0.97 0.00 -0.43 -0.78 -0.62 0.00 0.00 178.44 177.57 3neh h ASP 117 N 0.00 0.11 -0.20 1.25 3.58 -1.93 -1.67 116.42 117.56 3neh h ASP 117 Ca 0.04 -0.05 -0.08 0.00 0.42 0.00 0.00 57.03 57.36 3neh h ASP 117 Cb 0.23 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 3neh h ASP 117 CO -0.00 0.54 -0.14 0.11 -2.88 0.00 0.00 179.24 176.86 3neh h LYS 118 N 0.09 0.60 -0.35 0.28 1.57 -1.47 -0.69 116.57 116.59 3neh h LYS 118 Ca 0.01 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 3neh h LYS 118 Cb 0.81 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 3neh h LYS 118 CO 0.06 0.72 0.12 1.25 -0.57 0.00 0.00 179.45 181.03 3neh h LEU 119 N 0.55 0.51 -1.19 2.94 5.85 -1.41 -2.39 115.31 120.17 3neh h LEU 119 Ca 0.09 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.68 3neh h LEU 119 Cb 0.56 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 3neh h LEU 119 CO 0.04 0.57 0.57 0.74 -0.34 0.00 0.00 178.44 180.01 3neh h THR 120 N 0.42 1.07 -0.47 1.05 2.02 -0.88 0.24 112.91 116.36 3neh h THR 120 Ca 0.11 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 3neh h THR 120 Cb 0.23 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 3neh h THR 120 CO -0.01 0.18 0.26 1.56 0.37 0.00 0.00 175.52 177.88 3neh h GLN 121 N 0.99 0.66 -0.55 6.66 4.20 -0.96 0.20 115.11 126.31 3neh h GLN 121 Ca 0.37 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.95 3neh h GLN 121 Cb 0.18 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3neh h GLN 121 CO -0.13 0.53 0.16 -0.07 -0.67 0.00 0.00 178.83 178.64 3neh h LEU 122 N 0.63 0.82 -0.37 1.46 3.38 -0.74 0.42 115.31 120.91 3neh h LEU 122 Ca 0.17 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3neh h LEU 122 Cb 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3neh h LEU 122 CO -0.03 0.82 0.19 -0.07 0.09 0.00 0.00 178.44 179.44 3neh h LEU 123 N 0.77 0.47 -1.85 1.67 3.38 -0.72 -1.64 115.31 117.39 3neh h LEU 123 Ca 0.18 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3neh h LEU 123 Cb 0.30 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3neh h LEU 123 CO -0.00 0.45 0.16 0.44 0.09 0.00 0.00 178.44 179.57 3neh h ASP 124 N 0.46 0.17 0.53 -0.43 3.32 -0.37 -1.32 116.42 118.77 3neh h ASP 124 Ca 0.13 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3neh h ASP 124 Cb 0.09 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3neh h ASP 124 CO -0.02 0.12 0.00 0.61 -1.72 0.00 0.00 179.24 178.23 3neh n GLY 125 N -1.53 -1.19 0.00 2.75 0.00 0.12 -4.90 105.19 100.44 3neh n GLY 125 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3neh n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3neh n GLY 126 N 1.03 0.94 3.67 -0.02 0.00 -0.50 -5.01 105.19 105.32 3neh n GLY 126 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3neh n GLY 126 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3neh n VAL 127 N -0.45 0.59 0.42 1.61 0.31 -0.72 -4.28 118.33 115.82 3neh n VAL 127 Ca 0.00 -0.11 0.05 0.00 -0.01 0.00 0.00 64.34 64.27 3neh n VAL 127 Cb 0.00 -2.24 -0.00 0.00 -0.91 0.00 0.00 33.84 30.68 3neh n VAL 127 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3neh n LEU 128 N 6.69 1.14 -3.73 7.52 4.77 -0.50 -4.65 117.00 128.24 3neh n LEU 128 Ca 0.19 -0.75 -0.12 0.00 -0.03 0.00 0.00 56.01 55.30 3neh n LEU 128 Cb 0.39 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.37 3neh n LEU 128 CO 0.67 0.23 -0.01 -0.55 -1.33 0.00 0.00 177.39 176.40 3neh s SER 129 N -1.33 -0.38 -0.11 -1.43 0.15 -1.26 -1.59 113.70 107.76 3neh s SER 129 Ca 0.08 0.70 0.01 0.00 0.70 0.00 0.00 55.95 57.44 3neh s SER 129 Cb 0.08 0.64 0.02 0.00 -1.71 0.00 0.00 66.02 65.04 3neh s SER 129 CO 0.24 -0.15 -0.12 -0.69 1.20 0.00 0.00 173.24 173.71 3neh s VAL 130 N 0.86 1.31 -0.20 4.45 1.01 -0.31 -0.95 120.40 126.57 3neh s VAL 130 Ca -0.06 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 3neh s VAL 130 Cb -0.06 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 3neh s VAL 130 CO -0.06 0.41 0.44 -0.83 0.00 0.00 0.00 175.10 175.06 3neh s GLY 131 N 1.20 2.09 0.33 4.51 0.00 0.28 -0.54 107.32 115.18 3neh s GLY 131 Ca -0.03 -0.48 0.02 0.00 0.00 0.00 0.00 44.72 44.23 3neh s GLY 131 CO -0.04 0.91 1.91 1.41 0.00 0.00 0.00 173.10 177.30 3neh h LEU 132 N 7.74 0.67 -8.73 0.66 3.38 -1.86 0.45 115.31 117.62 3neh h LEU 132 Ca -0.35 -0.08 -0.41 0.00 0.09 0.00 0.00 57.88 57.13 3neh h LEU 132 Cb 1.16 -0.17 -0.16 0.00 0.09 0.00 0.00 40.66 41.58 3neh h LEU 132 CO 0.72 0.61 -0.74 0.42 0.09 0.00 0.00 178.44 179.54 3neh s THR 133 N -5.34 1.46 0.00 0.22 -4.23 -1.26 -1.65 115.64 104.83 3neh s THR 133 Ca -0.09 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 3neh s THR 133 Cb 0.16 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 72.19 3neh s THR 133 CO 0.78 -0.56 0.00 1.87 -0.54 0.00 0.00 174.62 176.17 3neh n TRP 134 N 0.02 0.00 0.48 3.99 -0.00 -1.26 -3.93 117.44 116.74 3neh n TRP 134 Ca -0.11 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.52 3neh n TRP 134 Cb 0.59 0.00 0.44 0.00 -0.00 0.00 0.00 31.31 32.34 3neh n TRP 134 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 3neh h ASN 135 N 0.00 0.00 -1.59 5.87 2.35 -1.93 -3.37 115.58 116.91 3neh h ASN 135 Ca 0.00 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.28 3neh h ASN 135 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3neh h ASN 135 CO 0.00 0.00 -0.36 0.20 -1.65 0.00 0.00 177.43 175.62 3neh s ASN 136 N -4.70 5.33 0.25 5.81 0.01 -1.26 -1.10 114.94 119.28 3neh s ASN 136 Ca 0.07 -0.56 -0.31 0.00 -0.71 0.00 0.00 52.86 51.35 3neh s ASN 136 Cb 0.10 -0.73 -0.12 0.00 0.41 0.00 0.00 41.25 40.91 3neh s ASN 136 CO 0.53 -0.60 1.65 0.00 -1.51 0.00 0.00 177.10 177.17 3neh s ALA 137 N -2.38 3.83 0.16 0.60 0.00 -1.26 -1.61 121.76 121.10 3neh s ALA 137 Ca 0.48 1.58 0.03 0.00 0.00 0.00 0.00 51.96 54.06 3neh s ALA 137 Cb -0.06 -3.67 -0.01 0.00 0.00 0.00 0.00 23.12 19.38 3neh s ALA 137 CO 0.29 -0.96 0.14 0.27 0.00 0.00 0.00 175.76 175.50 3neh n ASN 138 N 2.99 -0.36 0.02 0.00 0.23 -0.28 -4.92 115.26 112.94 3neh n ASN 138 Ca 0.12 -2.03 0.09 0.00 -0.53 0.00 0.00 54.58 52.22 3neh n ASN 138 Cb 0.36 0.82 0.37 0.00 -2.08 0.00 0.00 39.78 39.26 3neh n ASN 138 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3neh n LEU 139 N 0.00 0.11 -0.10 -4.53 4.77 -1.26 -2.92 117.00 113.07 3neh n LEU 139 Ca 0.03 0.53 -0.12 0.00 -0.03 0.00 0.00 56.01 56.42 3neh n LEU 139 Cb 0.29 -0.51 -0.15 0.00 -2.33 0.00 0.00 43.42 40.72 3neh n LEU 139 CO 0.15 -0.26 -1.18 0.00 -1.33 0.00 0.00 177.39 174.77 3neh n ALA 140 N -1.55 1.47 -3.80 -1.18 0.00 -1.26 -4.41 120.51 109.78 3neh n ALA 140 Ca 0.04 -1.23 0.02 0.00 0.00 0.00 0.00 53.44 52.27 3neh n ALA 140 Cb 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3neh n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3neh s ALA 141 N -2.50 -2.35 -0.10 0.00 0.00 -1.15 -1.36 121.76 114.30 3neh s ALA 141 Ca -0.17 0.36 -0.16 0.00 0.00 0.00 0.00 51.96 52.00 3neh s ALA 141 Cb 0.07 0.62 -0.05 0.00 0.00 0.00 0.00 23.12 23.76 3neh s ALA 141 CO 0.76 -1.10 0.39 -0.51 0.00 0.00 0.00 175.76 175.30 3neh s ASP 142 N -3.39 6.63 0.96 0.00 1.01 -1.20 -1.13 116.67 119.55 3neh s ASP 142 Ca 0.22 0.75 -0.14 0.00 0.71 0.00 0.00 52.55 54.09 3neh s ASP 142 Cb 0.02 -2.24 0.17 0.00 1.01 0.00 0.00 42.92 41.88 3neh s ASP 142 CO -0.02 0.13 1.15 -0.83 0.21 0.00 0.00 175.17 175.80 3neh s GLY 143 N 0.07 1.59 0.51 0.21 0.00 -0.63 -1.32 107.32 107.75 3neh s GLY 143 Ca 0.22 -0.63 0.27 0.00 0.00 0.00 0.00 44.72 44.58 3neh s GLY 143 CO 0.09 -0.00 2.02 1.19 0.00 0.00 0.00 173.10 176.39 3neh h ILE 144 N -1.70 0.53 -0.01 0.90 6.09 -0.12 -2.58 117.51 120.61 3neh h ILE 144 Ca -0.50 -0.66 0.00 0.00 -1.37 0.00 0.00 64.86 62.33 3neh h ILE 144 Cb 1.32 1.44 0.00 0.00 0.47 0.00 0.00 36.82 40.05 3neh h ILE 144 CO 0.56 0.14 -0.24 0.23 -3.07 0.00 0.00 178.15 175.76 3neh n MET 145 N -3.54 1.21 -2.57 2.19 2.81 -0.26 -4.86 117.12 112.10 3neh n MET 145 Ca -0.01 -0.83 -0.43 0.00 -1.81 0.00 0.00 57.70 54.62 3neh n MET 145 Cb 0.28 -1.48 -0.02 0.00 -0.71 0.00 0.00 33.22 31.29 3neh n MET 145 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3neh s GLU 146 N -2.36 4.36 0.26 0.03 2.56 -0.97 -4.93 118.70 117.65 3neh s GLU 146 Ca 0.26 1.52 -0.01 0.00 0.00 0.00 0.00 54.97 56.74 3neh s GLU 146 Cb 0.19 -3.58 0.53 0.00 2.00 0.00 0.00 34.13 33.27 3neh s GLU 146 CO 0.48 -0.44 1.77 0.93 -0.56 0.00 0.00 175.26 177.44 3neh h GLU 147 N 7.37 0.63 -0.61 4.30 5.08 -1.89 -2.18 114.58 127.29 3neh h GLU 147 Ca -0.30 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 3neh h GLU 147 Cb 1.14 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 3neh h GLU 147 CO 0.89 0.42 0.34 -0.09 -1.00 0.00 0.00 179.01 179.57 3neh h ARG 148 N 0.65 0.84 -4.01 2.33 2.43 -1.95 -3.46 114.38 111.21 3neh h ARG 148 Ca 0.46 -0.08 -0.35 0.00 -0.81 0.00 0.00 59.98 59.20 3neh h ARG 148 Cb 0.63 -0.17 0.06 0.00 -0.42 0.00 0.00 29.97 30.06 3neh h ARG 148 CO -0.35 0.61 -0.53 0.41 -1.51 0.00 0.00 179.97 178.60 3neh n GLY 149 N -1.28 -0.36 3.83 2.80 0.00 -0.82 -4.99 105.19 104.36 3neh n GLY 149 Ca 0.06 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3neh n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3neh s ALA 150 N -3.11 2.32 0.39 4.61 0.00 -1.26 -4.32 121.76 120.40 3neh s ALA 150 Ca 0.28 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.88 3neh s ALA 150 Cb -0.12 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.94 3neh s ALA 150 CO 0.34 -1.73 0.00 0.41 0.00 0.00 0.00 175.76 174.78 3neh n GLY 151 N -2.45 1.33 3.77 0.00 0.00 -1.26 -3.28 105.19 103.30 3neh n GLY 151 Ca 0.07 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 3neh n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3neh s LEU 152 N 0.00 4.55 0.83 0.99 1.43 -1.26 -3.69 118.68 121.53 3neh s LEU 152 Ca 0.00 1.74 -0.12 0.00 -1.03 0.00 0.00 54.13 54.72 3neh s LEU 152 Cb 0.00 -3.53 0.10 0.00 0.03 0.00 0.00 46.19 42.79 3neh s LEU 152 CO 0.00 0.13 1.20 0.42 0.23 0.00 0.00 176.35 178.33 3neh s THR 153 N -1.27 2.02 0.26 5.49 -4.23 -0.46 -4.91 115.64 112.54 3neh s THR 153 Ca 0.40 -0.02 -0.03 0.00 -1.18 0.00 0.00 61.69 60.86 3neh s THR 153 Cb -0.23 -3.00 0.26 0.00 1.34 0.00 0.00 72.50 70.88 3neh s THR 153 CO 0.27 0.00 1.87 -0.09 -0.54 0.00 0.00 174.62 176.13 3neh h ARG 154 N -1.15 1.08 -0.51 3.99 9.65 -1.90 -1.62 114.38 123.92 3neh h ARG 154 Ca -0.45 -0.06 0.04 0.00 -1.10 0.00 0.00 59.98 58.40 3neh h ARG 154 Cb 1.31 -0.24 -0.04 0.00 -1.39 0.00 0.00 29.97 29.60 3neh h ARG 154 CO 0.59 0.71 0.27 0.35 2.80 0.00 0.00 179.97 184.70 3neh h PHE 155 N 1.11 0.49 -0.82 2.20 3.57 -1.90 0.18 116.94 121.78 3neh h PHE 155 Ca 0.43 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.97 3neh h PHE 155 Cb 0.21 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 3neh h PHE 155 CO -0.01 0.25 0.53 0.78 -2.23 0.00 0.00 178.31 177.63 3neh h GLY 156 N 0.52 1.17 1.02 2.40 0.00 -1.48 0.60 103.07 107.29 3neh h GLY 156 Ca 0.22 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 3neh h GLY 156 CO -0.15 0.37 0.02 0.50 0.00 0.00 0.00 176.54 177.29 3neh h LYS 157 N 1.06 0.90 -0.93 4.80 1.57 -0.52 -1.92 116.57 121.53 3neh h LYS 157 Ca 0.31 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3neh h LYS 157 Cb -0.05 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 3neh h LYS 157 CO -0.09 0.91 0.54 -0.44 -0.57 0.00 0.00 179.45 179.81 3neh h ASP 158 N 0.77 1.13 -0.01 0.86 3.32 -0.21 -1.17 116.42 121.11 3neh h ASP 158 Ca 0.15 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3neh h ASP 158 Cb 0.49 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 3neh h ASP 158 CO 0.02 0.88 0.01 0.40 -1.72 0.00 0.00 179.24 178.83 3neh h ILE 159 N 1.29 1.03 -1.01 0.35 2.04 -0.69 -2.26 117.51 118.27 3neh h ILE 159 Ca 0.33 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 66.13 3neh h ILE 159 Cb -0.03 1.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 3neh h ILE 159 CO -0.06 0.03 0.66 0.40 0.00 0.00 0.00 178.15 179.18 3neh h ILE 160 N -0.02 1.21 -0.75 -0.67 2.04 -0.95 0.03 117.51 118.39 3neh h ILE 160 Ca 0.00 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.46 3neh h ILE 160 Cb 0.04 -0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 35.84 3neh h ILE 160 CO -0.00 0.24 0.46 -0.74 0.00 0.00 0.00 178.15 178.11 3neh h HIS 161 N 1.31 0.85 -0.62 1.37 2.76 -1.02 0.32 115.15 120.12 3neh h HIS 161 Ca 0.39 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.54 3neh h HIS 161 Cb -0.06 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 28.60 3neh h HIS 161 CO -0.00 0.45 0.23 1.25 -1.30 0.00 0.00 177.93 178.55 3neh h LEU 162 N 0.86 0.88 -0.45 0.26 5.85 -0.52 -2.12 115.31 120.06 3neh h LEU 162 Ca 0.32 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3neh h LEU 162 Cb 0.12 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3neh h LEU 162 CO -0.15 0.83 0.22 -0.07 -0.34 0.00 0.00 178.44 178.93 3neh h LEU 163 N 0.88 0.59 -0.28 2.25 3.38 -0.20 -1.55 115.31 120.37 3neh h LEU 163 Ca 0.20 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3neh h LEU 163 Cb 0.24 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3neh h LEU 163 CO -0.01 0.55 -0.02 0.78 0.09 0.00 0.00 178.44 179.83 3neh h ASN 164 N 0.59 -0.15 0.62 -0.43 2.35 -0.79 -0.59 115.58 117.18 3neh h ASN 164 Ca 0.16 0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.93 3neh h ASN 164 Cb 0.11 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 3neh h ASN 164 CO -0.02 -0.04 -0.20 1.05 -1.65 0.00 0.00 177.43 176.57 3neh h GLU 165 N 0.06 0.00 -0.11 0.81 4.11 -1.06 -2.26 114.58 116.14 3neh h GLU 165 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 3neh h GLU 165 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3neh h GLU 165 CO -0.24 0.20 0.00 0.54 0.07 0.00 0.00 179.01 179.58 3neh n ARG 166 N -3.55 1.96 -3.54 1.06 5.12 -0.61 -4.95 116.66 112.15 3neh n ARG 166 Ca -0.01 -1.41 -0.20 0.00 -1.93 0.00 0.00 57.85 54.30 3neh n ARG 166 Cb 0.35 -1.46 0.08 0.00 -1.16 0.00 0.00 32.46 30.26 3neh n ARG 166 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3neh n LYS 167 N 0.67 -6.71 -4.55 5.56 4.76 -0.47 -5.01 118.16 112.42 3neh n LYS 167 Ca 0.17 0.80 -0.32 0.00 -2.87 0.00 0.00 58.31 56.09 3neh n LYS 167 Cb 0.44 -5.76 -0.11 0.00 -1.84 0.00 0.00 35.03 27.76 3neh n LYS 167 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3neh s VAL 168 N -3.39 3.37 0.34 -0.18 1.01 -0.35 -4.77 120.40 116.43 3neh s VAL 168 Ca 0.19 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 61.02 3neh s VAL 168 Cb -0.09 -2.44 -0.10 0.00 0.00 0.00 0.00 36.38 33.75 3neh s VAL 168 CO 0.75 0.40 1.26 -0.36 0.00 0.00 0.00 175.10 177.15 3neh s PHE 169 N -0.95 3.10 -0.27 5.22 0.08 -0.62 -4.46 117.98 120.07 3neh s PHE 169 Ca 0.16 1.47 -0.13 0.00 0.12 0.00 0.00 56.93 58.55 3neh s PHE 169 Cb -0.11 -3.59 -0.05 0.00 -0.57 0.00 0.00 43.02 38.70 3neh s PHE 169 CO 0.06 -1.64 0.26 0.99 -0.10 0.00 0.00 175.22 174.79 3neh s THR 170 N -1.19 5.27 -0.28 0.64 2.01 0.65 -1.16 115.64 121.58 3neh s THR 170 Ca 0.50 0.34 -0.12 0.00 0.31 0.00 0.00 61.69 62.72 3neh s THR 170 Cb -0.37 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 3neh s THR 170 CO 0.49 0.23 0.23 -0.62 -0.69 0.00 0.00 174.62 174.27 3neh s ASP 171 N 1.56 6.07 0.00 3.53 2.15 0.30 -1.56 116.67 128.73 3neh s ASP 171 Ca 0.10 0.04 0.25 0.00 0.43 0.00 0.00 52.55 53.38 3neh s ASP 171 Cb -0.15 -2.14 0.56 0.00 -0.30 0.00 0.00 42.92 40.88 3neh s ASP 171 CO 0.09 -0.09 1.45 1.33 -0.17 0.00 0.00 175.17 177.79 3neh n VAL 172 N 5.08 0.00 -1.67 1.11 0.24 0.35 -4.01 118.33 119.43 3neh n VAL 172 Ca -0.13 -0.01 -0.46 0.00 -2.04 0.00 0.00 64.34 61.71 3neh n VAL 172 Cb 0.52 0.23 -0.04 0.00 -1.47 0.00 0.00 33.84 33.07 3neh n VAL 172 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3neh n SER 173 N -1.44 3.08 0.00 -1.34 7.64 -1.26 -1.36 113.62 118.94 3neh n SER 173 Ca 0.06 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.03 3neh n SER 173 Cb 0.34 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 3neh n SER 173 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3neh n HIS 174 N 3.17 0.00 -2.05 1.43 8.25 -1.26 -4.79 115.22 119.96 3neh n HIS 174 Ca 0.16 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.24 3neh n HIS 174 Cb 0.29 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.41 3neh n HIS 174 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3neh s LEU 175 N 0.00 4.01 0.96 2.41 1.43 -0.46 0.30 118.68 127.32 3neh s LEU 175 Ca 0.00 2.54 -0.12 0.00 -1.03 0.00 0.00 54.13 55.52 3neh s LEU 175 Cb 0.00 -4.17 0.10 0.00 0.03 0.00 0.00 46.19 42.15 3neh s LEU 175 CO 0.00 -1.12 0.73 -1.54 0.23 0.00 0.00 176.35 174.65 3neh n SER 176 N -0.52 -1.07 -0.06 2.29 3.41 -0.43 -4.03 113.62 113.20 3neh n SER 176 Ca 0.07 0.32 -0.10 0.00 -0.26 0.00 0.00 58.87 58.90 3neh n SER 176 Cb 0.46 -1.31 -0.03 0.00 -0.26 0.00 0.00 64.21 63.06 3neh n SER 176 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3neh h VAL 177 N -1.79 1.12 -0.40 -3.33 2.07 -1.89 0.60 116.25 112.64 3neh h VAL 177 Ca -0.45 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 66.80 3neh h VAL 177 Cb 1.28 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 3neh h VAL 177 CO 0.38 0.12 0.11 0.11 0.02 0.00 0.00 177.57 178.31 3neh h LYS 178 N 0.25 0.25 -0.58 1.57 1.57 -1.85 -2.46 116.57 115.33 3neh h LYS 178 Ca 0.08 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 3neh h LYS 178 Cb 0.08 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3neh h LYS 178 CO -0.01 0.17 0.11 0.00 -0.57 0.00 0.00 179.45 179.15 3neh h ALA 179 N 1.28 1.10 -0.08 3.86 0.00 -1.60 -2.33 119.26 121.49 3neh h ALA 179 Ca 0.19 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3neh h ALA 179 Cb 0.19 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 3neh h ALA 179 CO -0.21 0.59 -0.30 0.35 0.00 0.00 0.00 179.25 179.67 3neh h PHE 180 N 0.87 -0.83 -0.58 0.00 3.04 -0.44 0.10 116.94 119.11 3neh h PHE 180 Ca 0.18 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.12 3neh h PHE 180 Cb 0.36 0.38 -0.02 0.00 2.56 0.00 0.00 35.95 39.22 3neh h PHE 180 CO 0.02 -0.39 0.19 -1.49 -2.02 0.00 0.00 178.31 174.63 3neh h TRP 181 N -0.41 0.93 -0.45 0.41 4.06 -1.25 -1.61 115.95 117.63 3neh h TRP 181 Ca 0.08 -0.09 -0.04 0.00 2.06 0.00 0.00 58.89 60.90 3neh h TRP 181 Cb 0.53 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 28.40 3neh h TRP 181 CO -0.37 0.77 0.10 0.93 -3.56 0.00 0.00 178.44 176.31 3neh h GLU 182 N 0.82 0.68 -0.38 0.49 5.08 -1.25 -2.86 114.58 117.16 3neh h GLU 182 Ca 0.19 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 3neh h GLU 182 Cb 0.27 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3neh h GLU 182 CO -0.01 0.63 -0.33 1.15 -1.00 0.00 0.00 179.01 179.45 3neh h THR 183 N 0.66 1.28 -0.14 1.13 2.02 -0.27 -2.60 112.91 115.00 3neh h THR 183 Ca 0.15 -1.49 0.02 0.00 0.77 0.00 0.00 66.41 65.85 3neh h THR 183 Cb 0.26 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 3neh h THR 183 CO -0.00 0.50 0.09 -0.07 0.37 0.00 0.00 175.52 176.41 3neh h LEU 184 N 0.71 0.10 -0.13 2.58 4.07 -1.09 0.24 115.31 121.79 3neh h LEU 184 Ca 0.07 -0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.94 3neh h LEU 184 Cb 0.89 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.59 3neh h LEU 184 CO 0.08 0.07 -0.42 -0.33 -1.08 0.00 0.00 178.44 176.76 3neh h GLU 185 N 0.11 0.00 0.01 1.13 4.39 -1.32 -3.37 114.58 115.54 3neh h GLU 185 Ca 0.06 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.38 3neh h GLU 185 Cb 0.09 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.67 3neh h GLU 185 CO -0.01 0.42 -2.42 1.04 -1.16 0.00 0.00 179.01 176.89 3neh n GLN 186 N -3.24 0.67 -3.09 2.33 1.13 -0.64 -5.00 117.38 109.54 3neh n GLN 186 Ca 0.02 0.11 -0.39 0.00 -1.94 0.00 0.00 57.00 54.79 3neh n GLN 186 Cb 0.68 -1.53 -0.06 0.00 0.11 0.00 0.00 30.24 29.44 3neh n GLN 186 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3neh s ALA 187 N -2.51 3.49 -0.03 -1.58 0.00 0.77 -4.86 121.76 117.03 3neh s ALA 187 Ca -0.26 0.23 -0.04 0.00 0.00 0.00 0.00 51.96 51.89 3neh s ALA 187 Cb 0.08 -2.84 -0.28 0.00 0.00 0.00 0.00 23.12 20.08 3neh s ALA 187 CO 0.69 0.29 0.73 1.49 0.00 0.00 0.00 175.76 178.96 3neh h GLU 188 N 4.62 0.26 -4.16 0.00 4.81 -1.90 -3.44 114.58 114.76 3neh h GLU 188 Ca -0.47 -0.44 -0.65 0.00 -0.13 0.00 0.00 59.36 57.67 3neh h GLU 188 Cb 1.21 0.16 -0.40 0.00 0.63 0.00 0.00 28.75 30.35 3neh h GLU 188 CO 0.66 1.11 -0.70 -0.06 -0.73 0.00 0.00 179.01 179.30 3neh s PHE 189 N -2.60 3.40 -0.11 0.92 0.08 -1.26 -5.08 117.98 113.33 3neh s PHE 189 Ca -0.12 -2.96 -0.05 0.00 0.12 0.00 0.00 56.93 53.92 3neh s PHE 189 Cb 0.07 -2.79 -0.04 0.00 -0.57 0.00 0.00 43.02 39.69 3neh s PHE 189 CO 0.84 -0.88 0.06 0.08 -0.10 0.00 0.00 175.22 175.23 3neh s VAL 190 N 0.56 4.85 0.03 -0.44 1.01 -1.26 -0.25 120.40 124.90 3neh s VAL 190 Ca 0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 3neh s VAL 190 Cb -0.21 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 3neh s VAL 190 CO -0.06 0.59 0.05 -0.51 0.00 0.00 0.00 175.10 175.17 3neh s ILE 191 N -0.78 0.13 -0.36 2.22 2.07 -0.60 -3.01 121.20 120.86 3neh s ILE 191 Ca 0.13 -1.06 -0.02 0.00 -1.41 0.00 0.00 60.65 58.29 3neh s ILE 191 Cb -0.12 -0.70 0.09 0.00 0.13 0.00 0.00 42.46 41.86 3neh s ILE 191 CO 0.03 -0.59 0.12 0.00 -1.91 0.00 0.00 174.94 172.59 3neh s ALA 192 N -2.22 3.01 -0.37 1.50 0.00 -0.27 -0.49 121.76 122.91 3neh s ALA 192 Ca -0.08 -2.29 0.27 0.00 0.00 0.00 0.00 51.96 49.86 3neh s ALA 192 Cb -0.04 -2.20 0.85 0.00 0.00 0.00 0.00 23.12 21.73 3neh s ALA 192 CO -0.03 -1.62 1.77 0.66 0.00 0.00 0.00 175.76 176.54 3neh h SER 193 N 7.97 0.00 -0.83 0.00 4.64 -1.85 -0.49 113.55 122.99 3neh h SER 193 Ca -0.14 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.11 3neh h SER 193 Cb 1.05 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.97 3neh h SER 193 CO 0.62 0.00 -0.40 -1.38 -0.87 0.00 0.00 176.83 174.80 3neh s HIS 194 N -3.33 -1.40 -0.05 4.77 -3.43 -1.22 -4.12 115.29 106.51 3neh s HIS 194 Ca 0.06 -0.13 -0.09 0.00 -0.80 0.00 0.00 55.06 54.10 3neh s HIS 194 Cb 0.09 0.27 0.02 0.00 -1.43 0.00 0.00 32.58 31.52 3neh s HIS 194 CO 0.57 -1.03 0.21 -1.12 -2.00 0.00 0.00 174.74 171.37 3neh s SER 195 N 1.38 -0.15 0.16 7.38 0.01 -0.56 -4.84 113.70 117.08 3neh s SER 195 Ca 0.22 0.21 0.01 0.00 1.31 0.00 0.00 55.95 57.70 3neh s SER 195 Cb 0.00 0.37 0.01 0.00 0.21 0.00 0.00 66.02 66.61 3neh s SER 195 CO -0.07 -0.22 0.11 0.59 0.41 0.00 0.00 173.24 174.06 3neh n ASN 196 N 2.27 1.61 -4.58 2.44 3.02 -1.26 -3.94 115.26 114.82 3neh n ASN 196 Ca -0.17 -1.58 -0.40 0.00 -0.03 0.00 0.00 54.58 52.41 3neh n ASN 196 Cb 0.57 -0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.65 3neh n ASN 196 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3neh s ALA 197 N -2.24 3.53 0.44 5.41 0.00 -1.26 -1.15 121.76 126.49 3neh s ALA 197 Ca 0.08 -0.98 0.22 0.00 0.00 0.00 0.00 51.96 51.28 3neh s ALA 197 Cb -0.01 -2.74 1.26 0.00 0.00 0.00 0.00 23.12 21.64 3neh s ALA 197 CO 0.05 -0.81 2.04 -0.22 0.00 0.00 0.00 175.76 176.83 3neh h LYS 198 N 8.30 0.00 -0.18 0.00 3.64 -1.16 -1.10 116.57 126.07 3neh h LYS 198 Ca -0.31 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 3neh h LYS 198 Cb 1.16 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 3neh h LYS 198 CO 0.66 0.15 -0.03 0.00 -2.27 0.00 0.00 179.45 177.95 3neh h ALA 199 N 1.85 1.63 0.14 5.00 0.00 -1.94 -3.01 119.26 122.93 3neh h ALA 199 Ca -0.00 -0.14 -0.35 0.00 0.00 0.00 0.00 54.91 54.42 3neh h ALA 199 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3neh h ALA 199 CO 0.02 0.28 -1.89 0.82 0.00 0.00 0.00 179.25 178.48 3neh h ILE 200 N 0.25 0.73 -3.25 0.00 5.03 -1.63 -3.44 117.51 115.20 3neh h ILE 200 Ca 0.06 -2.39 -0.46 0.00 -0.12 0.00 0.00 64.86 61.95 3neh h ILE 200 Cb 0.23 2.58 -0.38 0.00 -3.03 0.00 0.00 36.82 36.22 3neh h ILE 200 CO 0.01 0.87 -0.77 0.00 -0.68 0.00 0.00 178.15 177.58 3neh n SER 202 N 5.10 0.00 -4.69 0.00 7.64 -1.14 -3.91 113.62 116.61 3neh n SER 202 Ca -0.08 -1.34 -0.44 0.00 1.01 0.00 0.00 58.87 58.02 3neh n SER 202 Cb 0.49 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.67 3neh n SER 202 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 3neh n HIS 203 N -0.64 2.37 0.26 1.43 -0.00 -1.26 -4.84 115.22 112.54 3neh n HIS 203 Ca 0.05 0.39 0.13 0.00 -0.00 0.00 0.00 57.72 58.28 3neh n HIS 203 Cb 0.02 -2.50 0.60 0.00 -0.00 0.00 0.00 29.99 28.12 3neh n HIS 203 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3neh h PRO 204 N 4.30 0.00 0.00 1.57 0.13 -1.97 -0.82 132.00 135.22 3neh h PRO 204 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3neh h PRO 204 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3neh h PRO 204 CO 0.76 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.53 3neh h ARG 205 N 0.00 0.00 -7.20 0.86 2.47 -1.95 -3.46 114.38 105.11 3neh h ARG 205 Ca 0.00 0.00 -0.45 0.00 -1.26 0.00 0.00 59.98 58.27 3neh h ARG 205 Cb 0.16 0.00 0.08 0.00 -1.65 0.00 0.00 29.97 28.55 3neh h ARG 205 CO 0.00 0.00 0.16 -0.80 0.56 0.00 0.00 179.97 179.89 3neh s ASN 206 N -4.86 4.76 -0.20 7.04 0.01 -0.31 -4.70 114.94 116.67 3neh s ASN 206 Ca 0.03 0.22 -0.07 0.00 -0.71 0.00 0.00 52.86 52.33 3neh s ASN 206 Cb 0.09 -0.86 -0.03 0.00 0.41 0.00 0.00 41.25 40.86 3neh s ASN 206 CO 0.45 -1.59 0.05 -0.76 -1.51 0.00 0.00 177.10 173.74 3neh s LEU 207 N -5.16 3.60 0.96 0.60 1.43 -0.30 -4.68 118.68 115.14 3neh s LEU 207 Ca 0.61 -0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 53.52 3neh s LEU 207 Cb -0.09 -1.93 0.17 0.00 0.03 0.00 0.00 46.19 44.36 3neh s LEU 207 CO 0.44 0.09 1.15 1.51 0.23 0.00 0.00 176.35 179.77 3neh s ASP 208 N 0.84 3.09 0.25 2.29 1.47 -1.26 -0.95 116.67 122.40 3neh s ASP 208 Ca 0.03 0.85 -0.04 0.00 1.18 0.00 0.00 52.55 54.57 3neh s ASP 208 Cb -0.14 -1.33 0.37 0.00 -0.34 0.00 0.00 42.92 41.48 3neh s ASP 208 CO 0.02 -2.80 1.85 0.44 0.68 0.00 0.00 175.17 175.37 3neh h ASP 209 N -1.67 0.86 -0.60 2.11 5.19 -1.99 0.44 116.42 120.76 3neh h ASP 209 Ca -0.49 0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 55.87 3neh h ASP 209 Cb 1.32 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.64 3neh h ASP 209 CO 0.56 0.54 0.10 -0.33 -3.12 0.00 0.00 179.24 176.99 3neh h GLU 210 N 0.99 0.99 -0.56 3.56 4.39 -1.99 -0.49 114.58 121.47 3neh h GLU 210 Ca 0.40 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 3neh h GLU 210 Cb 0.21 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 3neh h GLU 210 CO -0.19 0.93 0.28 1.96 -1.16 0.00 0.00 179.01 180.83 3neh h GLN 211 N 0.89 0.80 -0.50 2.33 4.20 -1.72 -1.26 115.11 119.85 3neh h GLN 211 Ca 0.18 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 3neh h GLN 211 Cb 0.41 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3neh h GLN 211 CO 0.01 0.64 0.16 0.82 -0.67 0.00 0.00 178.83 179.80 3neh h ILE 212 N 0.75 1.23 -0.69 2.54 2.04 -0.65 0.32 117.51 123.04 3neh h ILE 212 Ca 0.19 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 3neh h ILE 212 Cb 0.10 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 3neh h ILE 212 CO -0.03 0.27 0.41 0.11 0.00 0.00 0.00 178.15 178.92 3neh h LYS 213 N 0.67 0.95 -0.44 2.37 1.57 -0.98 -1.21 116.57 119.50 3neh h LYS 213 Ca 0.16 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 3neh h LYS 213 Cb 0.26 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3neh h LYS 213 CO -0.01 0.68 -0.01 0.00 -0.57 0.00 0.00 179.45 179.55 3neh h ALA 214 N 1.21 1.16 -0.33 3.86 0.00 -0.83 0.68 119.26 125.02 3neh h ALA 214 Ca 0.25 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3neh h ALA 214 Cb -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3neh h ALA 214 CO -0.05 0.54 0.20 0.52 0.00 0.00 0.00 179.25 180.47 3neh h MET 215 N 0.68 0.44 -0.50 0.00 2.86 -0.27 -0.28 114.93 117.86 3neh h MET 215 Ca 0.13 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3neh h MET 215 Cb 0.43 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 3neh h MET 215 CO 0.02 0.32 0.24 0.82 1.06 0.00 0.00 176.91 179.36 3neh h ILE 216 N 0.43 1.19 -0.51 -1.22 2.04 -0.85 0.55 117.51 119.14 3neh h ILE 216 Ca 0.12 -0.55 0.09 0.00 1.00 0.00 0.00 64.86 65.52 3neh h ILE 216 Cb -0.01 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3neh h ILE 216 CO -0.02 0.22 0.35 -0.33 0.00 0.00 0.00 178.15 178.36 3neh h GLU 217 N 0.66 0.30 -0.57 2.37 5.08 -0.47 -0.91 114.58 121.04 3neh h GLU 217 Ca 0.17 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3neh h GLU 217 Cb 0.12 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3neh h GLU 217 CO -0.02 0.20 0.00 0.72 -1.00 0.00 0.00 179.01 178.91 3neh n HIS 218 N -4.46 0.89 -3.45 4.33 8.25 -0.15 -4.91 115.22 115.71 3neh n HIS 218 Ca 0.08 -0.39 -0.25 0.00 -0.26 0.00 0.00 57.72 56.90 3neh n HIS 218 Cb 0.36 -0.09 0.04 0.00 1.12 0.00 0.00 29.99 31.42 3neh n HIS 218 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3neh n ASP 219 N 0.89 -5.59 -4.95 0.41 8.00 -0.35 -4.83 116.55 110.14 3neh n ASP 219 Ca 0.18 -0.49 -0.23 0.00 0.71 0.00 0.00 54.79 54.95 3neh n ASP 219 Cb 0.56 -4.47 0.00 0.00 -0.02 0.00 0.00 41.12 37.19 3neh n ASP 219 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3neh s ALA 220 N -3.22 3.72 -0.11 2.24 0.00 0.10 -4.87 121.76 119.63 3neh s ALA 220 Ca 0.49 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 51.38 3neh s ALA 220 Cb -0.23 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 3neh s ALA 220 CO 0.60 -0.22 0.20 -1.64 0.00 0.00 0.00 175.76 174.71 3neh s MET 221 N -4.46 3.67 -0.20 0.00 -1.94 -1.16 -4.68 119.30 110.53 3neh s MET 221 Ca 0.45 -0.02 -0.02 0.00 -1.71 0.00 0.00 55.69 54.39 3neh s MET 221 Cb -0.10 -3.24 -0.00 0.00 2.01 0.00 0.00 34.83 33.51 3neh s MET 221 CO 0.37 0.68 -0.09 0.42 -0.01 0.00 0.00 175.02 176.39 3neh s ILE 222 N -0.79 2.98 -0.31 2.53 1.01 0.51 -1.12 121.20 126.00 3neh s ILE 222 Ca 0.16 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 60.11 3neh s ILE 222 Cb -0.13 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.03 3neh s ILE 222 CO 0.05 0.46 0.09 -1.00 0.00 0.00 0.00 174.94 174.55 3neh s HIS 223 N 1.36 3.17 0.46 3.97 3.76 -0.19 -0.72 115.29 127.09 3neh s HIS 223 Ca 0.05 -1.05 -0.22 0.00 -0.15 0.00 0.00 55.06 53.69 3neh s HIS 223 Cb -0.14 -2.27 -0.08 0.00 1.11 0.00 0.00 32.58 31.20 3neh s HIS 223 CO -0.06 -0.60 1.10 0.14 -0.85 0.00 0.00 174.74 174.47 3neh s VAL 224 N 1.49 3.45 -0.04 -0.90 -7.23 -0.46 -1.50 120.40 115.22 3neh s VAL 224 Ca 0.02 1.03 0.05 0.00 -1.81 0.00 0.00 61.98 61.27 3neh s VAL 224 Cb -0.18 -3.49 -0.02 0.00 0.56 0.00 0.00 36.38 33.25 3neh s VAL 224 CO 0.03 -0.07 -0.19 0.54 -0.31 0.00 0.00 175.10 175.10 3neh s VAL 225 N -1.70 2.65 -0.87 1.32 0.11 -1.25 -0.16 120.40 120.50 3neh s VAL 225 Ca 0.64 -0.88 -0.02 0.00 -2.93 0.00 0.00 61.98 58.79 3neh s VAL 225 Cb -0.23 -2.00 0.32 0.00 -1.53 0.00 0.00 36.38 32.94 3neh s VAL 225 CO 0.28 0.59 2.04 0.49 -3.33 0.00 0.00 175.10 175.17 3neh n PHE 226 N 2.38 2.85 -4.02 1.54 3.72 -0.47 -4.86 117.46 118.59 3neh n PHE 226 Ca -0.17 -2.35 -0.34 0.00 -0.05 0.00 0.00 57.45 54.54 3neh n PHE 226 Cb 0.52 -1.21 -0.15 0.00 -0.94 0.00 0.00 39.48 37.69 3neh n PHE 226 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3neh s TYR 227 N -3.94 2.89 0.40 1.38 5.04 -1.26 -3.99 117.35 117.88 3neh s TYR 227 Ca 0.50 -1.40 0.09 0.00 -2.44 0.00 0.00 57.07 53.82 3neh s TYR 227 Cb 0.38 -2.01 0.88 0.00 0.35 0.00 0.00 41.96 41.56 3neh s TYR 227 CO -0.34 -0.71 1.98 -1.35 -1.34 0.00 0.00 175.55 173.79 3neh h PRO 228 N 8.01 0.56 -0.09 4.97 0.11 -1.84 0.09 132.00 143.80 3neh h PRO 228 Ca -0.42 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.68 3neh h PRO 228 Cb 1.14 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3neh h PRO 228 CO 0.61 0.37 0.07 1.25 -0.21 0.00 0.00 178.00 180.10 3neh h LEU 229 N 0.58 0.00 -2.33 2.35 5.85 -1.84 -0.67 115.31 119.25 3neh h LEU 229 Ca 0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3neh h LEU 229 Cb 0.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3neh h LEU 229 CO -0.08 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 178.51 3neh n PHE 230 N -4.35 0.48 -0.07 1.25 0.99 -0.03 -4.63 117.46 111.10 3neh n PHE 230 Ca -0.01 -0.26 -0.09 0.00 -0.00 0.00 0.00 57.45 57.09 3neh n PHE 230 Cb 0.18 -0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.60 3neh n PHE 230 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3neh n THR 231 N 1.40 0.75 -4.14 4.37 -1.04 -0.31 -4.73 114.28 110.59 3neh n THR 231 Ca 0.18 -0.30 -0.16 0.00 -2.04 0.00 0.00 64.05 61.74 3neh n THR 231 Cb 0.58 -0.95 -0.11 0.00 -1.82 0.00 0.00 70.33 68.02 3neh n THR 231 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3neh s THR 232 N -2.26 0.89 0.33 12.58 -4.23 -0.90 -4.54 115.64 117.50 3neh s THR 232 Ca -0.17 -1.33 0.06 0.00 -1.18 0.00 0.00 61.69 59.06 3neh s THR 232 Cb 0.04 -1.01 0.12 0.00 1.34 0.00 0.00 72.50 73.00 3neh s THR 232 CO 0.31 -0.37 1.83 0.78 -0.54 0.00 0.00 174.62 176.63 3neh h ASN 233 N 4.14 0.38 1.67 3.99 2.35 -1.87 -2.61 115.58 123.63 3neh h ASN 233 Ca -0.38 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.24 3neh h ASN 233 Cb 1.19 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 39.46 3neh h ASN 233 CO 0.44 0.55 -0.15 -0.55 -1.65 0.00 0.00 177.43 176.07 3neh h ASN 234 N 0.36 0.00 0.00 5.81 7.08 -1.96 -3.48 115.58 123.39 3neh h ASN 234 Ca 0.07 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.29 3neh h ASN 234 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.72 3neh h ASN 234 CO 0.03 0.15 0.00 0.61 -2.08 0.00 0.00 177.43 176.14 3neh n GLY 235 N 0.93 0.50 3.49 9.14 0.00 -0.98 -5.07 105.19 113.20 3neh n GLY 235 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3neh n GLY 235 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3neh s VAL 236 N -2.00 3.57 -0.04 1.61 1.01 -1.26 -4.26 120.40 119.02 3neh s VAL 236 Ca 0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 3neh s VAL 236 Cb 0.00 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.89 3neh s VAL 236 CO 0.00 0.54 0.29 0.00 0.00 0.00 0.00 175.10 175.92 3neh s ALA 237 N -0.03 -0.72 0.44 5.51 0.00 -1.26 -4.69 121.76 121.01 3neh s ALA 237 Ca -0.01 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.39 3neh s ALA 237 Cb -0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 3neh s ALA 237 CO 0.03 -0.22 0.02 -0.40 0.00 0.00 0.00 175.76 175.19 3neh n ASP 238 N 1.81 3.00 0.04 0.00 5.68 -1.26 -0.72 116.55 125.10 3neh n ASP 238 Ca -0.19 -2.96 0.01 0.00 -0.50 0.00 0.00 54.79 51.15 3neh n ASP 238 Cb 0.56 0.39 0.35 0.00 -1.14 0.00 0.00 41.12 41.28 3neh n ASP 238 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3neh h THR 239 N 1.27 1.17 -0.79 2.12 1.35 -1.76 -1.07 112.91 115.21 3neh h THR 239 Ca -0.36 -0.69 0.06 0.00 -0.55 0.00 0.00 66.41 64.87 3neh h THR 239 Cb 1.12 0.96 -0.05 0.00 -1.73 0.00 0.00 68.15 68.45 3neh h THR 239 CO 0.60 0.23 0.52 -0.33 -0.25 0.00 0.00 175.52 176.29 3neh h GLU 240 N 0.42 0.85 -0.68 4.72 4.39 -1.97 -1.19 114.58 121.13 3neh h GLU 240 Ca 0.09 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 3neh h GLU 240 Cb 0.28 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 3neh h GLU 240 CO 0.01 0.56 0.22 -0.44 -1.16 0.00 0.00 179.01 178.20 3neh h ASP 241 N 0.87 0.99 -0.78 1.42 3.32 -1.60 -2.35 116.42 118.29 3neh h ASP 241 Ca 0.33 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3neh h ASP 241 Cb 0.20 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 3neh h ASP 241 CO -0.11 0.93 0.49 0.58 -1.72 0.00 0.00 179.24 179.42 3neh h VAL 242 N 1.00 1.21 -0.03 -1.35 2.07 -1.10 -2.40 116.25 115.65 3neh h VAL 242 Ca 0.22 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3neh h VAL 242 Cb 0.30 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3neh h VAL 242 CO -0.01 0.21 -0.07 0.40 0.02 0.00 0.00 177.57 178.12 3neh h ILE 243 N 1.06 1.07 -0.03 4.57 2.04 -0.85 -1.16 117.51 124.22 3neh h ILE 243 Ca 0.28 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.82 3neh h ILE 243 Cb -0.08 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3neh h ILE 243 CO -0.06 0.10 0.02 0.03 0.00 0.00 0.00 178.15 178.24 3neh h ARG 244 N 0.04 0.00 -0.12 2.37 3.08 -0.92 0.39 114.38 119.23 3neh h ARG 244 Ca 0.01 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.84 3neh h ARG 244 Cb 0.16 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.22 3neh h ARG 244 CO 0.01 0.00 -0.79 0.45 -1.07 0.00 0.00 179.97 178.57 3neh h HIS 245 N 0.00 1.02 -0.24 3.04 3.86 -1.26 -1.97 115.15 119.60 3neh h HIS 245 Ca 0.01 -0.47 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 3neh h HIS 245 Cb 0.06 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 3neh h HIS 245 CO 0.00 1.30 0.15 0.82 0.86 0.00 0.00 177.93 181.06 3neh h ILE 246 N 0.45 1.05 -0.41 2.45 2.04 -1.28 -1.61 117.51 120.21 3neh h ILE 246 Ca -0.07 -0.11 0.08 0.00 1.00 0.00 0.00 64.86 65.77 3neh h ILE 246 Cb 1.43 0.71 -0.08 0.00 -0.74 0.00 0.00 36.82 38.15 3neh h ILE 246 CO 0.16 0.06 -0.08 0.44 0.00 0.00 0.00 178.15 178.73 3neh h ASP 247 N 0.31 -0.33 -0.53 1.72 3.32 -0.95 -1.29 116.42 118.68 3neh h ASP 247 Ca 0.09 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 3neh h ASP 247 Cb -0.03 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3neh h ASP 247 CO -0.03 -0.12 0.22 -0.74 -1.72 0.00 0.00 179.24 176.86 3neh h HIS 248 N 0.02 0.79 -0.64 4.55 2.76 -0.90 -0.33 115.15 121.40 3neh h HIS 248 Ca 0.20 -0.05 -0.06 0.00 -2.20 0.00 0.00 60.37 58.26 3neh h HIS 248 Cb 0.30 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 3neh h HIS 248 CO -0.34 0.64 0.18 0.82 -1.30 0.00 0.00 177.93 177.93 3neh h ILE 249 N 0.71 1.24 -0.64 6.26 2.04 -1.07 -2.21 117.51 123.84 3neh h ILE 249 Ca 0.18 -0.87 -0.07 0.00 1.00 0.00 0.00 64.86 65.10 3neh h ILE 249 Cb 0.18 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3neh h ILE 249 CO -0.02 0.33 0.13 0.00 0.00 0.00 0.00 178.15 178.60 3neh h GLU 251 N 0.97 0.00 -0.05 0.00 5.08 -0.59 -1.13 114.58 118.85 3neh h GLU 251 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3neh h GLU 251 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3neh h GLU 251 CO 0.01 0.17 0.00 1.28 -1.00 0.00 0.00 179.01 179.46 3neh n LEU 252 N -3.87 0.81 0.00 1.33 4.77 -0.85 -4.89 117.00 114.30 3neh n LEU 252 Ca -0.02 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 3neh n LEU 252 Cb 0.26 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3neh n LEU 252 CO 0.33 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3neh n GLY 253 N 1.02 0.96 1.38 -0.72 0.00 -0.43 -4.87 105.19 102.53 3neh n GLY 253 Ca 0.18 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.19 3neh n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3neh n GLY 254 N -2.07 3.82 0.32 -0.02 0.00 -0.20 -4.67 105.19 102.36 3neh n GLY 254 Ca 0.00 -1.03 0.15 0.00 0.00 0.00 0.00 46.02 45.14 3neh n GLY 254 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3neh h LEU 255 N 2.39 0.29 -0.96 0.99 5.85 -1.78 0.20 115.31 122.30 3neh h LEU 255 Ca 0.08 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3neh h LEU 255 Cb 1.79 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.98 3neh h LEU 255 CO 0.41 -0.05 0.00 0.29 -0.34 0.00 0.00 178.44 178.75 3neh n LYS 256 N -5.08 1.63 -0.11 1.25 5.02 -1.26 -4.04 118.16 115.56 3neh n LYS 256 Ca 0.23 -0.95 0.08 0.00 -2.02 0.00 0.00 58.31 55.65 3neh n LYS 256 Cb 0.71 -1.36 0.13 0.00 -0.02 0.00 0.00 35.03 34.49 3neh n LYS 256 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3neh n ASN 257 N 0.18 2.53 -4.46 4.39 4.13 0.71 -4.78 115.26 117.96 3neh n ASN 257 Ca 0.15 -2.85 -0.33 0.00 1.68 0.00 0.00 54.58 53.23 3neh n ASN 257 Cb 0.29 -0.36 -0.13 0.00 -1.54 0.00 0.00 39.78 38.03 3neh n ASN 257 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3neh s ILE 258 N -2.47 3.51 0.00 2.41 1.01 -1.19 -0.37 121.20 124.10 3neh s ILE 258 Ca 0.27 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.42 3neh s ILE 258 Cb 0.23 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 40.21 3neh s ILE 258 CO 0.04 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.11 3neh n GLY 259 N 3.34 4.52 3.44 6.18 0.00 0.10 -4.06 105.19 118.71 3neh n GLY 259 Ca -0.18 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 3neh n GLY 259 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3neh s PHE 260 N -1.49 2.80 -0.42 1.61 0.08 -1.25 -1.35 117.98 117.95 3neh s PHE 260 Ca 0.00 -0.36 0.06 0.00 0.12 0.00 0.00 56.93 56.75 3neh s PHE 260 Cb 0.00 -1.76 0.20 0.00 -0.57 0.00 0.00 43.02 40.89 3neh s PHE 260 CO 0.00 0.01 0.42 0.41 -0.10 0.00 0.00 175.22 175.97 3neh n GLY 261 N 2.93 2.54 0.30 4.36 0.00 0.77 -1.66 105.19 114.43 3neh n GLY 261 Ca -0.18 -1.49 0.10 0.00 0.00 0.00 0.00 46.02 44.45 3neh n GLY 261 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3neh h SER 262 N 4.97 0.30 -0.71 1.61 4.64 -1.66 -3.33 113.55 119.38 3neh h SER 262 Ca 0.19 0.14 -0.19 0.00 -0.47 0.00 0.00 61.79 61.45 3neh h SER 262 Cb 0.89 0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 63.04 3neh h SER 262 CO 0.43 0.04 -0.19 -0.67 -0.87 0.00 0.00 176.83 175.57 3neh n ASP 263 N -5.03 -3.88 -4.66 4.97 -0.08 0.25 -1.37 116.55 106.76 3neh n ASP 263 Ca 0.19 0.16 -0.43 0.00 -1.51 0.00 0.00 54.79 53.21 3neh n ASP 263 Cb 0.55 -2.48 -0.01 0.00 2.34 0.00 0.00 41.12 41.53 3neh n ASP 263 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3neh n PHE 264 N -3.09 1.85 -0.79 -0.67 3.72 -1.24 -1.48 117.46 115.76 3neh n PHE 264 Ca -0.10 0.59 0.00 0.00 -0.05 0.00 0.00 57.45 57.89 3neh n PHE 264 Cb 0.39 -2.34 0.00 0.00 -0.94 0.00 0.00 39.48 36.59 3neh n PHE 264 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3neh n ASP 265 N 0.81 0.00 -0.49 4.37 8.00 -1.26 -0.62 116.55 127.37 3neh n ASP 265 Ca 0.07 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.61 3neh n ASP 265 Cb 0.36 -0.73 0.13 0.00 -0.02 0.00 0.00 41.12 40.85 3neh n ASP 265 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3neh n GLY 266 N -2.00 3.03 2.99 0.44 0.00 -0.55 -4.57 105.19 104.54 3neh n GLY 266 Ca 0.00 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 3neh n GLY 266 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3neh s ILE 267 N -1.26 0.75 -0.41 -0.61 -4.36 -1.24 -5.04 121.20 109.04 3neh s ILE 267 Ca 0.20 -0.34 0.23 0.00 -0.26 0.00 0.00 60.65 60.47 3neh s ILE 267 Cb 0.12 -0.68 0.28 0.00 1.25 0.00 0.00 42.46 43.44 3neh s ILE 267 CO 0.11 0.24 1.52 -0.65 0.24 0.00 0.00 174.94 176.40 3neh h PRO 268 N 6.40 0.00 -5.45 0.37 0.11 -1.96 -3.45 132.00 128.02 3neh h PRO 268 Ca -0.33 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.35 3neh h PRO 268 Cb 1.17 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.08 3neh h PRO 268 CO 0.49 0.00 -0.77 -0.51 -0.21 0.00 0.00 178.00 177.00 3neh s ASP 269 N -6.08 1.88 0.18 -2.05 1.01 -1.26 -5.16 116.67 105.19 3neh s ASP 269 Ca 0.06 -0.71 0.11 0.00 0.71 0.00 0.00 52.55 52.72 3neh s ASP 269 Cb 0.06 -0.06 -0.04 0.00 1.01 0.00 0.00 42.92 43.88 3neh s ASP 269 CO 0.69 -0.10 -0.23 -1.00 0.21 0.00 0.00 175.17 174.74 3neh s HIS 270 N -1.64 2.33 0.07 4.23 3.76 -1.26 -4.50 115.29 118.27 3neh s HIS 270 Ca 0.03 -0.35 -0.31 0.00 -0.15 0.00 0.00 55.06 54.29 3neh s HIS 270 Cb -0.08 -1.18 -0.06 0.00 1.11 0.00 0.00 32.58 32.37 3neh s HIS 270 CO 0.03 0.47 1.29 0.08 -0.85 0.00 0.00 174.74 175.75 3neh s VAL 271 N -1.54 3.75 0.11 -0.90 1.01 -1.26 -4.78 120.40 116.79 3neh s VAL 271 Ca 0.20 1.24 -0.31 0.00 0.00 0.00 0.00 61.98 63.10 3neh s VAL 271 Cb -0.08 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 3neh s VAL 271 CO 0.09 0.08 1.61 -0.75 0.00 0.00 0.00 175.10 176.14 3neh s LYS 272 N 1.28 4.21 0.00 2.72 2.20 0.11 -0.68 119.74 129.58 3neh s LYS 272 Ca 0.61 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 58.56 3neh s LYS 272 Cb -0.32 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 3neh s LYS 272 CO 0.29 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 175.01 3neh n GLY 273 N 3.89 0.25 2.58 5.54 0.00 -1.26 -2.12 105.19 114.08 3neh n GLY 273 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 3neh n GLY 273 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3neh n LEU 274 N 0.00 2.05 0.17 0.99 4.77 0.15 -4.70 117.00 120.43 3neh n LEU 274 Ca 0.00 -4.18 0.04 0.00 -0.03 0.00 0.00 56.01 51.84 3neh n LEU 274 Cb 0.00 0.27 0.27 0.00 -2.33 0.00 0.00 43.42 41.63 3neh n LEU 274 CO 0.00 1.79 0.62 -0.33 -1.33 0.00 0.00 177.39 178.14 3neh h GLU 275 N 2.92 0.00 -3.18 3.23 3.07 -1.91 -3.38 114.58 115.33 3neh h GLU 275 Ca 0.00 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.88 3neh h GLU 275 Cb 1.09 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.95 3neh h GLU 275 CO 0.57 0.43 0.14 -3.38 -1.40 0.00 0.00 179.01 175.37 3neh s HIS 276 N -3.49 -0.00 0.36 4.33 -3.43 -1.26 -4.89 115.29 106.92 3neh s HIS 276 Ca 0.01 -0.45 0.30 0.00 -0.80 0.00 0.00 55.06 54.11 3neh s HIS 276 Cb 0.11 0.58 1.49 0.00 -1.43 0.00 0.00 32.58 33.33 3neh s HIS 276 CO 0.70 -1.21 2.07 -0.24 -2.00 0.00 0.00 174.74 174.06 3neh h VAL 277 N 2.06 0.41 0.00 -5.38 3.04 -1.53 -1.34 116.25 113.51 3neh h VAL 277 Ca -0.22 -0.53 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 3neh h VAL 277 Cb 1.25 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 3neh h VAL 277 CO 0.28 0.10 0.00 0.61 -1.01 0.00 0.00 177.57 177.55 3neh n GLY 278 N -0.53 -0.90 0.11 3.17 0.00 -1.25 -2.22 105.19 103.57 3neh n GLY 278 Ca -0.01 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.07 3neh n GLY 278 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3neh n LYS 279 N -1.30 0.74 -0.16 1.61 4.76 -0.51 -4.45 118.16 118.86 3neh n LYS 279 Ca 0.08 -0.23 -0.02 0.00 -2.87 0.00 0.00 58.31 55.27 3neh n LYS 279 Cb 0.15 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 31.91 3neh n LYS 279 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 3neh h TYR 280 N 0.55 0.22 -0.55 2.13 0.05 -1.64 -2.08 116.97 115.65 3neh h TYR 280 Ca 0.00 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.76 3neh h TYR 280 Cb 0.32 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.02 3neh h TYR 280 CO 0.00 0.04 0.14 1.96 -1.05 0.00 0.00 178.16 179.24 3neh h GLN 281 N 0.28 0.84 -0.12 4.88 1.08 -1.82 -0.48 115.11 119.78 3neh h GLN 281 Ca 0.25 -0.17 -0.10 0.00 -1.45 0.00 0.00 58.65 57.18 3neh h GLN 281 Cb 0.31 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 3neh h GLN 281 CO -0.30 0.75 -0.36 0.66 -0.95 0.00 0.00 178.83 178.64 3neh h SER 282 N 0.81 0.25 -0.40 1.46 4.64 -1.73 -1.75 113.55 116.83 3neh h SER 282 Ca 0.18 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.34 3neh h SER 282 Cb 0.29 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3neh h SER 282 CO -0.00 0.59 -0.03 0.15 -0.87 0.00 0.00 176.83 176.67 3neh h PHE 283 N 0.21 0.80 -0.18 4.77 3.57 -0.62 -2.55 116.94 122.94 3neh h PHE 283 Ca 0.02 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.34 3neh h PHE 283 Cb 0.73 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 3neh h PHE 283 CO 0.01 0.82 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.80 3neh h LEU 284 N 0.55 0.24 -0.77 0.59 3.38 -0.70 -1.27 115.31 117.33 3neh h LEU 284 Ca 0.11 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3neh h LEU 284 Cb 0.52 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3neh h LEU 284 CO 0.03 0.32 0.06 -0.08 0.09 0.00 0.00 178.44 178.86 3neh h GLU 285 N 0.26 0.99 -0.29 1.13 4.81 -1.15 -2.61 114.58 117.71 3neh h GLU 285 Ca 0.06 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 3neh h GLU 285 Cb 0.24 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3neh h GLU 285 CO 0.01 0.94 0.10 1.15 -0.73 0.00 0.00 179.01 180.48 3neh h THR 286 N 0.92 1.13 0.00 0.32 2.02 -0.83 -1.12 112.91 115.35 3neh h THR 286 Ca 0.18 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 3neh h THR 286 Cb 0.46 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3neh h THR 286 CO 0.02 0.15 -0.09 -0.07 0.37 0.00 0.00 175.52 175.90 3neh h LEU 287 N 0.41 0.00 -2.29 2.58 -0.00 -1.04 -3.08 115.31 111.89 3neh h LEU 287 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 3neh h LEU 287 Cb 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.77 3neh h LEU 287 CO -0.01 0.09 -0.04 -0.33 -0.00 0.00 0.00 178.44 178.15 3neh h GLU 288 N 0.00 0.00 0.00 1.13 5.08 -1.15 0.21 114.58 119.84 3neh h GLU 288 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3neh h GLU 288 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3neh h GLU 288 CO 0.01 0.04 0.00 0.87 -1.00 0.00 0.00 179.01 178.94 3neh h LYS 289 N 0.00 0.00 0.00 2.33 1.79 -1.70 -3.36 116.57 115.63 3neh h LYS 289 Ca -0.00 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 3neh h LYS 289 Cb 0.19 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 3neh h LYS 289 CO 0.01 0.00 -1.39 0.72 -1.08 0.00 0.00 179.45 177.71 3neh n HIS 290 N -3.04 0.00 -4.25 -1.35 8.25 0.54 -5.07 115.22 110.30 3neh n HIS 290 Ca 0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.33 3neh n HIS 290 Cb 0.32 -0.27 -0.10 0.00 1.12 0.00 0.00 29.99 31.06 3neh n HIS 290 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3neh s TYR 291 N -2.14 1.28 0.80 4.41 2.02 -0.12 -5.15 117.35 118.45 3neh s TYR 291 Ca -0.06 -0.76 -0.12 0.00 -0.37 0.00 0.00 57.07 55.76 3neh s TYR 291 Cb 0.02 -0.65 0.07 0.00 -0.40 0.00 0.00 41.96 41.00 3neh s TYR 291 CO 0.20 0.08 1.11 0.95 -1.57 0.00 0.00 175.55 176.31 3neh s THR 292 N -3.33 2.96 0.28 -0.71 -4.23 -1.26 -4.45 115.64 104.91 3neh s THR 292 Ca 0.17 0.31 -0.03 0.00 -1.18 0.00 0.00 61.69 60.96 3neh s THR 292 Cb 0.03 -3.11 0.24 0.00 1.34 0.00 0.00 72.50 71.00 3neh s THR 292 CO 0.01 -0.41 1.93 0.50 -0.54 0.00 0.00 174.62 176.11 3neh h LYS 293 N -1.06 1.13 -0.66 3.99 1.63 -1.97 0.44 116.57 120.07 3neh h LYS 293 Ca -0.47 -0.09 -0.07 0.00 -0.85 0.00 0.00 60.65 59.17 3neh h LYS 293 Cb 1.28 -0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 32.64 3neh h LYS 293 CO 0.61 0.78 0.15 1.49 -3.45 0.00 0.00 179.45 179.03 3neh h GLU 294 N 1.15 1.05 -0.25 1.90 4.57 -1.99 -0.36 114.58 120.65 3neh h GLU 294 Ca 0.30 -0.25 -0.14 0.00 -1.18 0.00 0.00 59.36 58.10 3neh h GLU 294 Cb -0.07 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.38 3neh h GLU 294 CO -0.06 0.93 -0.40 0.93 -1.18 0.00 0.00 179.01 179.24 3neh h GLU 295 N 0.99 0.71 -0.58 1.92 5.08 -1.74 -2.39 114.58 118.57 3neh h GLU 295 Ca 0.21 -0.43 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 3neh h GLU 295 Cb 0.36 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3neh h GLU 295 CO 0.00 1.05 0.13 0.82 -1.00 0.00 0.00 179.01 180.01 3neh h ILE 296 N 0.43 1.24 -0.16 3.13 2.04 -0.76 -1.50 117.51 121.92 3neh h ILE 296 Ca 0.02 -0.88 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 3neh h ILE 296 Cb 0.99 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3neh h ILE 296 CO 0.09 0.33 -0.18 -0.08 0.00 0.00 0.00 178.15 178.31 3neh h GLU 297 N 0.87 0.27 -0.03 2.37 4.81 -1.02 0.12 114.58 121.97 3neh h GLU 297 Ca 0.19 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3neh h GLU 297 Cb 0.33 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3neh h GLU 297 CO 0.00 0.45 -0.01 0.78 -0.73 0.00 0.00 179.01 179.51 3neh h GLY 298 N 0.86 0.02 1.04 1.92 0.00 -0.77 -0.14 103.07 106.01 3neh h GLY 298 Ca 0.05 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 3neh h GLY 298 CO 0.03 -0.01 0.27 0.74 0.00 0.00 0.00 176.54 177.57 3neh h PHE 299 N 0.00 1.15 -0.25 5.60 0.04 -0.89 -0.45 116.94 122.15 3neh h PHE 299 Ca 0.01 -0.10 -0.18 0.00 2.80 0.00 0.00 57.97 60.51 3neh h PHE 299 Cb 0.02 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 37.83 3neh h PHE 299 CO -0.10 0.90 -0.55 0.00 -0.60 0.00 0.00 178.31 177.96 3neh h ALA 300 N 1.13 0.40 0.00 2.45 0.00 -0.83 -3.33 119.26 119.08 3neh h ALA 300 Ca 0.24 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3neh h ALA 300 Cb 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3neh h ALA 300 CO -0.02 0.61 0.00 -1.13 0.00 0.00 0.00 179.25 178.72 3neh n SER 301 N -4.06 0.00 -0.04 0.00 3.41 -0.52 0.12 113.62 112.53 3neh n SER 301 Ca -0.05 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.48 3neh n SER 301 Cb 0.62 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.68 3neh n SER 301 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3neh h ARG 302 N 0.00 0.66 0.15 4.33 2.43 -1.03 -1.00 114.38 119.92 3neh h ARG 302 Ca 0.00 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 58.86 3neh h ARG 302 Cb 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3neh h ARG 302 CO 0.00 0.89 -0.08 -0.91 -1.51 0.00 0.00 179.97 178.36 3neh h ASN 303 N 0.56 -0.19 -0.52 -3.80 2.35 -1.28 0.56 115.58 113.25 3neh h ASN 303 Ca 0.06 0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.88 3neh h ASN 303 Cb 0.82 0.05 -0.05 0.00 0.05 0.00 0.00 38.32 39.19 3neh h ASN 303 CO 0.07 -0.13 0.23 0.15 -1.65 0.00 0.00 177.43 176.10 3neh h PHE 304 N -0.22 0.42 0.00 1.19 3.57 -1.71 -1.96 116.94 118.23 3neh h PHE 304 Ca -0.02 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 3neh h PHE 304 Cb 0.17 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3neh h PHE 304 CO -0.07 0.17 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.94 3neh h LEU 305 N 0.45 0.00 0.00 0.59 3.38 -0.80 0.35 115.31 119.28 3neh h LEU 305 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3neh h LEU 305 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3neh h LEU 305 CO -0.21 0.17 0.00 0.59 0.09 0.00 0.00 178.44 179.09 3neh n ASN 306 N -4.25 0.00 -0.38 -0.43 3.02 0.15 -3.75 115.26 109.63 3neh n ASN 306 Ca -0.02 0.31 0.08 0.00 -0.03 0.00 0.00 54.58 54.91 3neh n ASN 306 Cb 0.24 -0.43 0.18 0.00 -0.61 0.00 0.00 39.78 39.16 3neh n ASN 306 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3neh n HIS 307 N -1.43 0.05 -2.27 3.10 8.25 0.11 -5.04 115.22 117.98 3neh n HIS 307 Ca 0.08 -1.26 -0.41 0.00 -0.26 0.00 0.00 57.72 55.86 3neh n HIS 307 Cb 0.24 -0.21 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 3neh n HIS 307 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3neh s LEU 308 N -3.07 4.43 0.23 2.41 1.43 -1.19 -4.94 118.68 117.98 3neh s LEU 308 Ca 0.36 2.35 -0.32 0.00 -1.03 0.00 0.00 54.13 55.49 3neh s LEU 308 Cb 0.33 -3.61 -0.13 0.00 0.03 0.00 0.00 46.19 42.81 3neh s LEU 308 CO -0.02 -0.46 1.58 -2.65 0.23 0.00 0.00 176.35 175.02 3neh n PRO 309 N 2.46 2.43 0.00 1.29 -0.02 -1.26 -5.14 135.00 134.75 3neh n PRO 309 Ca 0.05 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 3neh n PRO 309 Cb 0.43 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 3neh n PRO 309 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11