#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 2.10 0.63 1.04 1.43 -1.26 -5.14 118.68 117.48 3neh s LEU 3 Ca 0.00 -0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 52.67 3neh s LEU 3 Cb 0.00 -0.27 -0.01 0.00 0.03 0.00 0.00 46.19 45.93 3neh s LEU 3 CO 0.00 -0.02 1.13 -0.13 0.23 0.00 0.00 176.35 177.56 3neh s ARG 4 N -0.66 2.87 -0.03 1.70 1.81 -1.26 -4.86 118.95 118.52 3neh s ARG 4 Ca -0.02 1.52 0.07 0.00 -1.72 0.00 0.00 55.73 55.58 3neh s ARG 4 Cb -0.05 -1.95 -0.02 0.00 -0.45 0.00 0.00 34.95 32.49 3neh s ARG 4 CO 0.00 -1.22 -0.24 0.08 -0.68 0.00 0.00 175.30 173.24 3neh s VAL 5 N -2.11 1.94 -0.18 3.52 1.01 -1.01 -4.30 120.40 119.27 3neh s VAL 5 Ca 0.70 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 3neh s VAL 5 Cb -0.23 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.53 3neh s VAL 5 CO 0.38 0.55 -0.13 -0.63 0.00 0.00 0.00 175.10 175.26 3neh s ILE 6 N -0.41 2.74 -0.12 2.22 1.01 0.10 0.90 121.20 127.64 3neh s ILE 6 Ca 0.05 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.98 3neh s ILE 6 Cb -0.11 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.19 3neh s ILE 6 CO 0.01 0.50 -0.15 -0.62 0.00 0.00 0.00 174.94 174.67 3neh s ASP 7 N 1.09 2.58 0.00 3.58 2.15 -0.10 -4.16 116.67 121.81 3neh s ASP 7 Ca -0.00 -0.46 0.27 0.00 0.43 0.00 0.00 52.55 52.79 3neh s ASP 7 Cb -0.14 -1.15 0.96 0.00 -0.30 0.00 0.00 42.92 42.29 3neh s ASP 7 CO -0.04 -0.00 1.72 0.35 -0.17 0.00 0.00 175.17 177.03 3neh n THR 8 N 4.37 0.00 -3.34 1.71 -2.24 -0.59 -0.55 114.28 113.64 3neh n THR 8 Ca -0.18 -0.02 -0.05 0.00 -2.27 0.00 0.00 64.05 61.53 3neh n THR 8 Cb 0.51 -0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 68.56 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 -2.86 -1.05 0.09 4.78 5.65 -1.25 -4.25 115.29 116.40 3neh s HIS 9 Ca 0.17 1.20 0.03 0.00 0.25 0.00 0.00 55.06 56.71 3neh s HIS 9 Cb 0.19 0.23 -0.04 0.00 -1.18 0.00 0.00 32.58 31.78 3neh s HIS 9 CO 0.58 -0.73 -0.10 0.00 -0.65 0.00 0.00 174.74 173.84 3neh n ASP 11 N 0.56 5.42 -0.27 0.00 8.00 -0.17 -1.80 116.55 128.29 3neh n ASP 11 Ca -0.16 -3.76 0.11 0.00 0.71 0.00 0.00 54.79 51.69 3neh n ASP 11 Cb 0.58 -0.73 0.37 0.00 -0.02 0.00 0.00 41.12 41.32 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 1.71 1.81 -0.16 2.24 0.00 -1.83 -2.06 119.26 120.97 3neh h ALA 12 Ca 0.48 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.36 3neh h ALA 12 Cb 1.45 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3neh h ALA 12 CO 1.08 -0.04 -0.06 -0.07 0.00 0.00 0.00 179.25 180.17 3neh h LEU 13 N 0.71 0.33 -0.81 0.00 3.38 -1.84 0.23 115.31 117.31 3neh h LEU 13 Ca 0.44 -0.39 0.10 0.00 0.09 0.00 0.00 57.88 58.12 3neh h LEU 13 Cb 0.67 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 3neh h LEU 13 CO -0.20 0.64 0.46 0.22 0.09 0.00 0.00 178.44 179.65 3neh h TYR 14 N 0.01 0.83 -0.08 1.13 3.20 -1.75 -0.15 116.97 120.16 3neh h TYR 14 Ca 0.04 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 3neh h TYR 14 Cb 0.51 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.53 3neh h TYR 14 CO 0.06 0.33 -0.16 -0.22 -1.64 0.00 0.00 178.16 176.53 3neh h LYS 15 N 0.77 0.24 -0.75 1.82 3.64 -1.06 -0.82 116.57 120.41 3neh h LYS 15 Ca 0.39 -0.16 0.07 0.00 -1.27 0.00 0.00 60.65 59.68 3neh h LYS 15 Cb 0.37 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 3neh h LYS 15 CO -0.25 0.75 0.43 -0.07 -2.27 0.00 0.00 179.45 178.05 3neh h LEU 16 N -0.24 0.65 -0.36 5.20 3.38 -0.47 -0.07 115.31 123.42 3neh h LEU 16 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3neh h LEU 16 Cb 0.75 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3neh h LEU 16 CO 0.04 0.41 0.18 -0.61 0.09 0.00 0.00 178.44 178.54 3neh h GLN 17 N 0.78 0.51 -0.03 1.13 4.15 -0.90 -2.51 115.11 118.25 3neh h GLN 17 Ca 0.34 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 59.63 3neh h GLN 17 Cb 0.22 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 3neh h GLN 17 CO -0.19 0.45 -0.25 0.00 -1.93 0.00 0.00 178.83 176.91 3neh h ALA 18 N 1.03 1.54 0.00 3.38 0.00 -0.66 -2.70 119.26 121.85 3neh h ALA 18 Ca 0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3neh h ALA 18 Cb 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3neh h ALA 18 CO -0.02 0.34 -0.14 0.78 0.00 0.00 0.00 179.25 180.22 3neh h GLY 19 N 0.80 0.00 -5.99 0.00 0.00 -0.57 -3.47 103.07 93.84 3neh h GLY 19 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.91 3neh h GLY 19 CO 0.03 0.00 -0.70 0.28 0.00 0.00 0.00 176.54 176.15 3neh n LYS 20 N -3.32 -7.24 -0.48 4.80 5.02 -1.02 -2.32 118.16 113.61 3neh n LYS 20 Ca -0.00 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 3neh n LYS 20 Cb 0.36 -5.77 0.00 0.00 -0.02 0.00 0.00 35.03 29.60 3neh n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3neh n GLY 21 N -1.92 0.74 0.21 0.72 0.00 -1.26 -4.92 105.19 98.77 3neh n GLY 21 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 3.72 0.00 -5.18 1.61 2.10 -1.80 -3.44 116.57 113.59 3neh h LYS 22 Ca 0.00 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 58.03 3neh h LYS 22 Cb 0.00 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 31.16 3neh h LYS 22 CO 0.00 0.07 -0.57 0.71 -2.00 0.00 0.00 179.45 177.66 3neh s TYR 23 N -3.21 3.22 -0.31 0.07 2.02 -1.26 -5.07 117.35 112.80 3neh s TYR 23 Ca 0.06 0.00 -0.17 0.00 -0.37 0.00 0.00 57.07 56.59 3neh s TYR 23 Cb 0.06 -2.14 -0.02 0.00 -0.40 0.00 0.00 41.96 39.46 3neh s TYR 23 CO 0.67 0.03 0.47 -0.08 -1.57 0.00 0.00 175.55 175.07 3neh s THR 24 N 0.75 5.08 0.56 -0.71 -1.32 -1.26 -4.96 115.64 113.77 3neh s THR 24 Ca 0.04 0.49 0.30 0.00 -1.21 0.00 0.00 61.69 61.31 3neh s THR 24 Cb -0.13 -3.86 0.35 0.00 -1.51 0.00 0.00 72.50 67.34 3neh s THR 24 CO 0.02 -0.05 2.22 0.15 -2.21 0.00 0.00 174.62 174.75 3neh h PHE 25 N 8.30 0.00 -0.72 9.09 3.57 -1.96 -0.09 116.94 135.13 3neh h PHE 25 Ca -0.29 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.33 3neh h PHE 25 Cb 1.14 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.79 3neh h PHE 25 CO 0.73 0.03 0.30 0.37 -2.23 0.00 0.00 178.31 177.51 3neh h GLN 26 N 0.00 0.46 0.00 1.11 5.75 -1.93 0.19 115.11 120.69 3neh h GLN 26 Ca -0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3neh h GLN 26 Cb 0.07 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.52 3neh h GLN 26 CO 0.00 0.30 0.00 -0.40 -2.65 0.00 0.00 178.83 176.09 3neh n ASP 27 N -4.97 0.00 -4.68 -0.69 5.68 -1.00 -2.19 116.55 108.70 3neh n ASP 27 Ca 0.12 -0.92 -0.44 0.00 -0.50 0.00 0.00 54.79 53.05 3neh n ASP 27 Cb 0.36 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.30 3neh n ASP 27 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3neh n ALA 28 N 0.00 1.64 0.24 2.12 0.00 -0.08 -4.85 120.51 119.57 3neh n ALA 28 Ca 0.00 0.30 0.09 0.00 0.00 0.00 0.00 53.44 53.83 3neh n ALA 28 Cb 0.46 -2.56 0.60 0.00 0.00 0.00 0.00 19.45 17.95 3neh n ALA 28 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3neh h GLU 29 N 8.84 0.00 0.00 0.00 3.07 -1.99 -2.39 114.58 122.10 3neh h GLU 29 Ca -0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 3neh h GLU 29 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 3neh h GLU 29 CO 0.94 0.17 0.00 0.39 -1.40 0.00 0.00 179.01 179.11 3neh n GLU 30 N -3.91 0.05 -3.20 2.33 1.02 -1.26 -4.60 120.64 111.06 3neh n GLU 30 Ca -0.02 0.13 -0.41 0.00 -0.02 0.00 0.00 57.16 56.84 3neh n GLU 30 Cb 0.27 -1.57 -0.07 0.00 -0.02 0.00 0.00 31.44 30.04 3neh n GLU 30 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3neh s LEU 31 N -3.32 4.31 0.39 -4.62 1.43 -0.90 -4.93 118.68 111.04 3neh s LEU 31 Ca 0.11 0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.32 3neh s LEU 31 Cb 0.15 -2.64 0.83 0.00 0.03 0.00 0.00 46.19 44.56 3neh s LEU 31 CO 0.45 -0.51 1.98 0.44 0.23 0.00 0.00 176.35 178.95 3neh h ASP 32 N 8.44 0.56 -3.48 2.29 3.32 -1.86 -3.35 116.42 122.35 3neh h ASP 32 Ca -0.27 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.11 3neh h ASP 32 Cb 1.12 -0.12 -0.30 0.00 0.22 0.00 0.00 39.33 40.25 3neh h ASP 32 CO 0.79 0.36 -0.73 -0.69 -1.72 0.00 0.00 179.24 177.25 3neh s VAL 33 N -5.57 3.08 0.23 -1.35 1.01 -1.26 -1.22 120.40 115.32 3neh s VAL 33 Ca -0.09 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.02 3neh s VAL 33 Cb 0.19 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 3neh s VAL 33 CO 0.76 0.24 0.19 0.54 0.00 0.00 0.00 175.10 176.83 3neh s ASN 34 N 1.38 0.48 0.11 3.32 2.20 -1.26 -4.96 114.94 116.21 3neh s ASN 34 Ca 0.02 -1.45 -0.23 0.00 -0.94 0.00 0.00 52.86 50.26 3neh s ASN 34 Cb -0.16 0.44 -0.08 0.00 -2.00 0.00 0.00 41.25 39.45 3neh s ASN 34 CO -0.04 -0.92 1.70 0.15 -2.94 0.00 0.00 177.10 175.05 3neh h PHE 35 N 2.48 -0.23 -1.00 1.54 3.57 -0.91 -0.24 116.94 122.16 3neh h PHE 35 Ca -0.33 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.21 3neh h PHE 35 Cb 1.25 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 40.04 3neh h PHE 35 CO 0.67 -0.14 0.66 0.93 -2.23 0.00 0.00 178.31 178.19 3neh h GLU 36 N -0.14 1.27 -0.24 1.11 5.08 -1.70 -2.02 114.58 117.94 3neh h GLU 36 Ca 0.05 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 3neh h GLU 36 Cb 0.21 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3neh h GLU 36 CO -0.13 0.84 -0.47 0.00 -1.00 0.00 0.00 179.01 178.25 3neh h ARG 37 N 1.30 0.62 -0.77 2.33 3.08 -1.73 -1.12 114.38 118.11 3neh h ARG 37 Ca 0.38 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3neh h ARG 37 Cb -0.07 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 3neh h ARG 37 CO -0.10 0.96 0.35 -0.07 -1.07 0.00 0.00 179.97 180.03 3neh h LEU 38 N 0.50 1.01 -0.26 3.04 3.38 -0.74 0.50 115.31 122.73 3neh h LEU 38 Ca 0.03 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3neh h LEU 38 Cb 1.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3neh h LEU 38 CO 0.09 0.87 0.15 0.40 0.09 0.00 0.00 178.44 180.04 3neh h ILE 39 N 1.10 1.11 -0.88 1.22 1.08 -1.12 -2.38 117.51 117.64 3neh h ILE 39 Ca 0.26 -0.29 0.05 0.00 -0.39 0.00 0.00 64.86 64.49 3neh h ILE 39 Cb 0.14 0.83 -0.05 0.00 -3.07 0.00 0.00 36.82 34.67 3neh h ILE 39 CO -0.03 0.11 0.58 -0.08 -0.69 0.00 0.00 178.15 178.04 3neh h GLU 40 N 0.32 1.02 0.00 2.37 4.81 -0.72 -1.56 114.58 120.82 3neh h GLU 40 Ca 0.09 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3neh h GLU 40 Cb 0.05 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.20 3neh h GLU 40 CO -0.02 0.68 0.00 0.00 -0.73 0.00 0.00 179.01 178.94 3neh h ALA 41 N 1.50 1.00 -5.94 2.92 0.00 -0.62 -3.43 119.26 114.68 3neh h ALA 41 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.86 3neh h ALA 41 Cb 0.10 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.00 3neh h ALA 41 CO -0.12 0.00 -0.70 1.63 0.00 0.00 0.00 179.25 180.06 3neh n LYS 42 N -2.58 -7.46 -1.75 0.00 5.02 -0.59 -4.51 118.16 106.29 3neh n LYS 42 Ca 0.01 0.78 -0.42 0.00 -2.02 0.00 0.00 58.31 56.67 3neh n LYS 42 Cb 0.24 -5.80 -0.01 0.00 -0.02 0.00 0.00 35.03 29.44 3neh n LYS 42 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 3neh n MET 43 N -4.93 2.66 -0.13 1.97 1.56 -0.93 -2.40 117.12 114.91 3neh n MET 43 Ca 0.01 0.94 -0.19 0.00 -0.27 0.00 0.00 57.70 58.19 3neh n MET 43 Cb 0.55 -2.69 -0.11 0.00 2.15 0.00 0.00 33.22 33.12 3neh n MET 43 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 3neh n LEU 44 N 1.51 2.88 -3.67 -0.89 7.94 0.26 -4.63 117.00 120.40 3neh n LEU 44 Ca 0.06 -0.09 -0.09 0.00 -1.11 0.00 0.00 56.01 54.78 3neh n LEU 44 Cb 0.37 -0.88 -0.10 0.00 0.53 0.00 0.00 43.42 43.35 3neh n LEU 44 CO 0.64 0.89 0.05 -0.22 -1.11 0.00 0.00 177.39 177.64 3neh s LEU 45 N -6.58 -0.49 -0.14 -1.96 2.96 -0.93 -0.35 118.68 111.19 3neh s LEU 45 Ca -0.34 0.99 -0.01 0.00 -0.22 0.00 0.00 54.13 54.54 3neh s LEU 45 Cb 0.09 1.40 -0.02 0.00 0.50 0.00 0.00 46.19 48.17 3neh s LEU 45 CO 0.57 -0.22 -0.11 -1.58 -1.32 0.00 0.00 176.35 173.69 3neh s GLN 46 N 2.21 3.45 -0.08 1.98 2.00 -0.50 -0.93 119.66 127.79 3neh s GLN 46 Ca -0.04 -0.65 -0.23 0.00 -2.00 0.00 0.00 55.36 52.44 3neh s GLN 46 Cb -0.11 -2.70 -0.03 0.00 0.80 0.00 0.00 33.01 30.97 3neh s GLN 46 CO -0.13 0.22 0.70 0.20 -0.50 0.00 0.00 175.29 175.78 3neh s GLY 47 N 0.35 2.54 -0.36 2.59 0.00 0.29 -1.68 107.32 111.04 3neh s GLY 47 Ca -0.09 0.09 -0.06 0.00 0.00 0.00 0.00 44.72 44.66 3neh s GLY 47 CO 0.05 1.23 0.14 -1.36 0.00 0.00 0.00 173.10 173.16 3neh s PHE 48 N 0.99 3.34 0.36 1.90 0.40 0.83 -1.52 117.98 124.28 3neh s PHE 48 Ca 0.37 -1.70 -0.27 0.00 -0.60 0.00 0.00 56.93 54.73 3neh s PHE 48 Cb -0.17 -2.58 -0.09 0.00 0.51 0.00 0.00 43.02 40.68 3neh s PHE 48 CO 0.17 -0.81 1.19 0.00 0.70 0.00 0.00 175.22 176.47 3neh s ALA 49 N 1.34 3.30 -0.33 5.36 0.00 -0.74 -1.65 121.76 129.04 3neh s ALA 49 Ca 0.01 1.04 -0.15 0.00 0.00 0.00 0.00 51.96 52.86 3neh s ALA 49 Cb -0.21 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 3neh s ALA 49 CO 0.01 -0.49 0.33 0.42 0.00 0.00 0.00 175.76 176.03 3neh s ILE 50 N -1.29 5.20 -0.17 0.00 1.01 0.95 -4.52 121.20 122.37 3neh s ILE 50 Ca 0.52 0.07 -0.09 0.00 0.00 0.00 0.00 60.65 61.15 3neh s ILE 50 Cb -0.33 -3.77 0.06 0.00 0.01 0.00 0.00 42.46 38.42 3neh s ILE 50 CO 0.43 -0.03 0.41 0.12 0.00 0.00 0.00 174.94 175.87 3neh s PHE 51 N 1.96 -0.61 -0.08 3.97 5.36 -1.26 -1.45 117.98 125.86 3neh s PHE 51 Ca 0.11 1.30 0.01 0.00 -0.96 0.00 0.00 56.93 57.38 3neh s PHE 51 Cb -0.17 0.26 -0.03 0.00 -0.34 0.00 0.00 43.02 42.75 3neh s PHE 51 CO 0.11 -0.35 -0.09 -0.51 -1.46 0.00 0.00 175.22 172.92 3neh s LEU 52 N 1.50 3.00 0.26 6.12 1.43 -1.26 -4.59 118.68 125.14 3neh s LEU 52 Ca -0.09 -0.12 -0.27 0.00 -1.03 0.00 0.00 54.13 52.62 3neh s LEU 52 Cb -0.09 -1.65 -0.15 0.00 0.03 0.00 0.00 46.19 44.33 3neh s LEU 52 CO -0.13 0.31 0.71 0.47 0.23 0.00 0.00 176.35 177.94 3neh n ASP 53 N 2.54 -0.25 0.02 2.29 8.00 -1.26 -4.78 116.55 123.11 3neh n ASP 53 Ca -0.18 1.12 0.04 0.00 0.71 0.00 0.00 54.79 56.48 3neh n ASP 53 Cb 0.53 -1.10 0.17 0.00 -0.02 0.00 0.00 41.12 40.70 3neh n ASP 53 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3neh n GLU 54 N 0.86 0.02 0.01 -1.24 0.28 -1.26 -1.69 120.64 117.63 3neh n GLU 54 Ca 0.14 0.44 0.11 0.00 -0.16 0.00 0.00 57.16 57.69 3neh n GLU 54 Cb 0.29 -1.57 0.04 0.00 1.43 0.00 0.00 31.44 31.63 3neh n GLU 54 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3neh n ASP 55 N -1.62 0.67 -4.67 -1.84 5.75 -1.26 -4.81 116.55 108.78 3neh n ASP 55 Ca 0.01 -0.43 -0.42 0.00 -0.01 0.00 0.00 54.79 53.93 3neh n ASP 55 Cb 0.06 0.75 -0.03 0.00 -1.03 0.00 0.00 41.12 40.87 3neh n ASP 55 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 3neh n ILE 56 N -1.73 0.63 -1.15 2.12 2.08 -0.68 -4.93 119.36 115.71 3neh n ILE 56 Ca 0.03 -0.11 -0.32 0.00 0.56 0.00 0.00 62.75 62.91 3neh n ILE 56 Cb 0.39 -2.25 0.12 0.00 -0.75 0.00 0.00 39.64 37.14 3neh n ILE 56 CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 3neh s PRO 57 N 3.87 1.80 0.41 0.38 0.02 -1.26 -4.76 135.00 135.46 3neh s PRO 57 Ca 0.87 1.53 0.12 0.00 0.02 0.00 0.00 61.00 63.53 3neh s PRO 57 Cb -0.45 -1.82 0.94 0.00 0.02 0.00 0.00 34.50 33.20 3neh s PRO 57 CO 0.41 -2.05 1.95 0.28 -0.33 0.00 0.00 177.00 177.26 3neh h VAL 58 N -1.03 0.90 0.00 3.83 2.07 -1.95 -1.10 116.25 118.98 3neh h VAL 58 Ca -0.45 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3neh h VAL 58 Cb 1.27 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3neh h VAL 58 CO 0.47 0.09 0.00 -1.84 0.02 0.00 0.00 177.57 176.32 3neh n GLU 59 N -4.48 0.00 0.00 1.57 0.00 -1.26 -3.06 120.64 113.41 3neh n GLU 59 Ca 0.12 0.11 0.02 0.00 0.00 0.00 0.00 57.16 57.41 3neh n GLU 59 Cb 0.38 -1.51 0.02 0.00 0.00 0.00 0.00 31.44 30.33 3neh n GLU 59 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3neh n HIS 60 N -1.51 0.00 -0.25 -1.84 8.25 -0.46 -4.77 115.22 114.64 3neh n HIS 60 Ca 0.05 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.45 3neh n HIS 60 Cb 0.27 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.42 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 0.81 1.01 0.04 -0.41 1.57 -1.37 -1.78 116.57 116.44 3neh h LYS 61 Ca 0.00 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 3neh h LYS 61 Cb 0.18 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3neh h LYS 61 CO 0.00 0.83 -0.02 2.35 -0.57 0.00 0.00 179.45 182.04 3neh h TRP 62 N 0.97 -0.06 -0.57 -1.35 2.91 -1.81 -1.21 115.95 114.83 3neh h TRP 62 Ca 0.23 -0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.35 3neh h TRP 62 Cb 0.18 0.02 -0.08 0.00 -0.51 0.00 0.00 29.16 28.77 3neh h TRP 62 CO 0.01 0.17 0.11 -0.22 -1.03 0.00 0.00 178.44 177.48 3neh h LYS 63 N -0.28 0.24 -0.15 2.65 3.64 -1.85 -0.42 116.57 120.40 3neh h LYS 63 Ca -0.01 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 3neh h LYS 63 Cb 0.25 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3neh h LYS 63 CO 0.01 0.16 -0.37 0.87 -2.27 0.00 0.00 179.45 177.85 3neh h LYS 64 N 0.24 0.31 -0.24 1.90 1.79 -1.18 -0.35 116.57 119.04 3neh h LYS 64 Ca 0.30 -0.14 -0.04 0.00 -2.18 0.00 0.00 60.65 58.59 3neh h LYS 64 Cb 0.43 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 3neh h LYS 64 CO -0.39 0.64 -0.00 0.00 -1.08 0.00 0.00 179.45 178.62 3neh h ALA 65 N 1.35 0.32 -0.86 3.86 0.00 -0.62 -1.74 119.26 121.57 3neh h ALA 65 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3neh h ALA 65 Cb 0.77 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 3neh h ALA 65 CO 0.06 0.06 0.54 0.28 0.00 0.00 0.00 179.25 180.19 3neh h VAL 66 N 0.20 1.23 -0.78 0.00 2.07 -0.78 -0.97 116.25 117.23 3neh h VAL 66 Ca 0.07 -0.47 0.07 0.00 0.82 0.00 0.00 66.70 67.19 3neh h VAL 66 Cb 0.42 -0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.11 3neh h VAL 66 CO 0.01 0.23 0.46 -0.08 0.02 0.00 0.00 177.57 178.21 3neh h GLU 67 N 1.18 0.80 -0.68 1.57 4.81 -0.87 0.61 114.58 122.00 3neh h GLU 67 Ca 0.31 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.42 3neh h GLU 67 Cb -0.09 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.08 3neh h GLU 67 CO -0.06 0.53 0.12 1.96 -0.73 0.00 0.00 179.01 180.83 3neh h GLN 68 N 0.82 1.11 -0.63 1.92 4.20 -0.30 0.65 115.11 122.88 3neh h GLN 68 Ca 0.35 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 3neh h GLN 68 Cb 0.22 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 3neh h GLN 68 CO -0.19 1.01 0.22 0.28 -0.67 0.00 0.00 178.83 179.47 3neh h VAL 69 N 1.04 1.23 -0.37 -0.54 2.07 -0.56 -0.72 116.25 118.40 3neh h VAL 69 Ca 0.21 -0.76 -0.13 0.00 0.82 0.00 0.00 66.70 66.84 3neh h VAL 69 Cb 0.43 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3neh h VAL 69 CO 0.01 0.30 -0.30 0.78 0.02 0.00 0.00 177.57 178.38 3neh h ASN 70 N 0.92 0.83 -0.51 0.57 2.35 -0.36 -1.29 115.58 118.09 3neh h ASN 70 Ca 0.21 -0.33 0.03 0.00 -0.55 0.00 0.00 56.30 55.66 3neh h ASN 70 Cb 0.22 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 3neh h ASN 70 CO -0.01 1.07 0.28 0.40 -1.65 0.00 0.00 177.43 177.51 3neh h ILE 71 N 0.68 1.01 -0.35 2.81 2.04 -0.54 0.10 117.51 123.26 3neh h ILE 71 Ca 0.08 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.81 3neh h ILE 71 Cb 0.83 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 3neh h ILE 71 CO 0.07 0.10 0.03 0.15 0.00 0.00 0.00 178.15 178.50 3neh h PHE 72 N 0.55 0.04 -0.29 1.37 3.57 -0.84 0.70 116.94 122.04 3neh h PHE 72 Ca 0.21 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.58 3neh h PHE 72 Cb 0.08 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3neh h PHE 72 CO -0.08 -0.03 -0.44 0.87 -2.23 0.00 0.00 178.31 176.40 3neh h LYS 73 N 0.14 0.74 0.01 1.11 1.57 -0.87 0.25 116.57 119.51 3neh h LYS 73 Ca 0.17 -0.40 -0.30 0.00 -1.87 0.00 0.00 60.65 58.24 3neh h LYS 73 Cb 0.21 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 3neh h LYS 73 CO -0.25 1.03 -1.73 1.04 -0.57 0.00 0.00 179.45 178.96 3neh n GLN 74 N -4.02 0.64 -0.00 3.15 6.02 0.32 -4.15 117.38 119.34 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 0.56 -1.79 -0.01 0.00 1.02 0.00 0.00 30.24 30.02 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 -3.07 0.00 -0.09 1.08 8.25 0.23 -4.78 115.22 116.83 3neh n HIS 75 Ca -0.18 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.14 3neh n HIS 75 Cb 1.05 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 32.04 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 -1.85 1.48 -1.94 1.59 0.31 -0.99 -4.79 118.33 112.13 3neh n VAL 76 Ca -0.02 0.04 -0.37 0.00 -0.01 0.00 0.00 64.34 63.99 3neh n VAL 76 Cb 0.34 -2.21 0.03 0.00 -0.91 0.00 0.00 33.84 31.10 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 -7.96 3.79 -1.22 7.52 1.02 0.84 -2.24 118.68 120.43 3neh s LEU 77 Ca -0.25 2.54 -0.04 0.00 0.02 0.00 0.00 54.13 56.41 3neh s LEU 77 Cb 0.05 -4.41 0.03 0.00 0.02 0.00 0.00 46.19 41.88 3neh s LEU 77 CO 0.41 -1.50 0.24 1.41 0.02 0.00 0.00 176.35 176.93 3neh n HIS 78 N -1.20 -1.60 -2.59 0.29 8.25 -1.07 -4.78 115.22 112.52 3neh n HIS 78 Ca 0.11 0.23 -0.43 0.00 -0.26 0.00 0.00 57.72 57.37 3neh n HIS 78 Cb 0.47 -3.09 -0.02 0.00 1.12 0.00 0.00 29.99 28.47 3neh n HIS 78 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3neh s LYS 79 N -5.45 4.19 -0.11 -0.41 2.47 -0.95 -3.41 119.74 116.07 3neh s LYS 79 Ca 0.17 1.36 0.00 0.00 -1.56 0.00 0.00 55.97 55.95 3neh s LYS 79 Cb -0.09 -3.70 0.00 0.00 -1.46 0.00 0.00 37.83 32.58 3neh s LYS 79 CO 0.21 -0.73 0.00 0.41 0.16 0.00 0.00 175.35 175.40 3neh n GLY 80 N 3.55 0.22 4.60 5.54 0.00 -1.26 -2.08 105.19 115.76 3neh n GLY 80 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.06 0.79 0.16 -0.02 0.00 -1.22 -4.69 105.19 100.14 3neh n GLY 81 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 3neh n GLY 81 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3neh h ILE 82 N 0.00 1.31 -2.77 -0.61 2.04 -1.79 -3.43 117.51 112.26 3neh h ILE 82 Ca 0.00 -2.55 -0.57 0.00 1.00 0.00 0.00 64.86 62.75 3neh h ILE 82 Cb 0.00 2.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.94 3neh h ILE 82 CO 0.00 0.76 1.14 -0.63 0.00 0.00 0.00 178.15 179.42 3neh s ILE 83 N -2.78 3.68 -0.13 -0.67 -1.09 -0.88 -1.06 121.20 118.27 3neh s ILE 83 Ca -0.10 0.76 -0.01 0.00 -2.23 0.00 0.00 60.65 59.07 3neh s ILE 83 Cb 0.04 -3.72 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 3neh s ILE 83 CO 0.92 -0.32 -0.12 -2.28 -1.23 0.00 0.00 174.94 171.92 3neh s HIS 84 N 5.37 2.84 -0.38 3.97 2.46 0.15 -2.59 115.29 127.12 3neh s HIS 84 Ca 0.72 -0.59 -0.29 0.00 0.47 0.00 0.00 55.06 55.37 3neh s HIS 84 Cb -0.24 -1.86 0.01 0.00 -0.13 0.00 0.00 32.58 30.35 3neh s HIS 84 CO 0.30 -0.18 1.39 -1.58 -2.47 0.00 0.00 174.74 172.20 3neh s HIS 85 N 0.34 2.46 -0.45 3.88 2.46 -1.26 -1.06 115.29 121.67 3neh s HIS 85 Ca -0.10 0.72 -0.25 0.00 0.47 0.00 0.00 55.06 55.90 3neh s HIS 85 Cb -0.16 -4.20 0.02 0.00 -0.13 0.00 0.00 32.58 28.12 3neh s HIS 85 CO 0.05 -1.95 0.88 0.08 -2.47 0.00 0.00 174.74 171.34 3neh s VAL 86 N 5.15 4.54 -0.04 0.89 1.01 -0.30 -4.86 120.40 126.79 3neh s VAL 86 Ca 0.60 0.72 0.12 0.00 0.00 0.00 0.00 61.98 63.42 3neh s VAL 86 Cb -0.15 -4.39 -0.19 0.00 0.00 0.00 0.00 36.38 31.66 3neh s VAL 86 CO 0.30 -0.76 0.22 0.29 0.00 0.00 0.00 175.10 175.15 3neh n LYS 87 N 6.99 0.81 -4.03 2.72 5.02 -1.26 -4.38 118.16 124.04 3neh n LYS 87 Ca 0.05 -0.09 -0.08 0.00 -2.02 0.00 0.00 58.31 56.18 3neh n LYS 87 Cb 0.48 -1.31 -0.09 0.00 -0.02 0.00 0.00 35.03 34.09 3neh n LYS 87 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3neh s LYS 88 N -2.75 0.68 0.46 1.97 -2.85 -1.26 -4.65 119.74 111.35 3neh s LYS 88 Ca -0.05 -1.15 0.15 0.00 -1.00 0.00 0.00 55.97 53.92 3neh s LYS 88 Cb 0.07 0.25 1.05 0.00 -2.06 0.00 0.00 37.83 37.14 3neh s LYS 88 CO 0.53 -0.16 2.01 -1.49 0.10 0.00 0.00 175.35 176.34 3neh h TRP 89 N 3.03 0.00 -0.14 1.78 4.06 -1.94 0.19 115.95 122.93 3neh h TRP 89 Ca -0.34 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.59 3neh h TRP 89 Cb 1.16 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.31 3neh h TRP 89 CO 0.50 0.17 0.00 0.00 -3.56 0.00 0.00 178.44 175.55 3neh h ASP 91 N 0.20 0.42 0.25 0.00 3.32 -1.01 -0.22 116.42 119.37 3neh h ASP 91 Ca 0.05 -0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.75 3neh h ASP 91 Cb 0.14 -0.09 0.03 0.00 0.22 0.00 0.00 39.33 39.63 3neh h ASP 91 CO 0.00 0.28 -1.55 0.25 -1.72 0.00 0.00 179.24 176.50 3neh h LEU 92 N 0.48 0.80 -1.35 1.55 5.85 -1.42 -2.48 115.31 118.74 3neh h LEU 92 Ca 0.21 -0.92 -0.06 0.00 0.84 0.00 0.00 57.88 57.95 3neh h LEU 92 Cb 0.22 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3neh h LEU 92 CO -0.05 1.73 -0.27 -0.33 -0.34 0.00 0.00 178.44 179.18 3neh h GLU 93 N 0.14 0.00 -0.36 1.25 5.08 -0.91 -2.80 114.58 116.97 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 2.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.41 3neh h GLU 93 CO 0.25 0.27 0.00 0.09 -1.00 0.00 0.00 179.01 178.63 3neh n ASN 94 N -3.68 3.10 -4.67 1.42 3.02 -0.13 -5.02 115.26 109.29 3neh n ASN 94 Ca -0.01 -1.90 -0.50 0.00 -0.03 0.00 0.00 54.58 52.13 3neh n ASN 94 Cb 0.39 -0.24 -0.05 0.00 -0.61 0.00 0.00 39.78 39.27 3neh n ASN 94 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3neh n LEU 95 N 1.05 2.92 -4.71 3.41 7.94 -0.93 -4.91 117.00 121.77 3neh n LEU 95 Ca 0.15 1.04 -0.41 0.00 -1.11 0.00 0.00 56.01 55.69 3neh n LEU 95 Cb 0.49 -1.32 0.01 0.00 0.53 0.00 0.00 43.42 43.14 3neh n LEU 95 CO 0.12 -0.32 0.90 -2.65 -1.11 0.00 0.00 177.39 174.33 3neh n PRO 96 N 5.05 1.93 0.03 1.96 -0.02 -1.26 -4.87 135.00 137.82 3neh n PRO 96 Ca 0.21 0.69 0.07 0.00 -2.02 0.00 0.00 63.50 62.46 3neh n PRO 96 Cb 0.25 -2.41 0.32 0.00 -0.02 0.00 0.00 33.50 31.64 3neh n PRO 96 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3neh n GLU 97 N -0.04 0.04 0.00 -0.52 1.02 -1.26 -1.43 120.64 118.46 3neh n GLU 97 Ca 0.07 0.33 0.13 0.00 -0.02 0.00 0.00 57.16 57.66 3neh n GLU 97 Cb 0.40 -1.59 0.33 0.00 -0.02 0.00 0.00 31.44 30.56 3neh n GLU 97 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3neh n ASP 98 N -1.67 1.78 -4.92 1.62 5.75 -1.26 -4.95 116.55 112.89 3neh n ASP 98 Ca 0.03 -1.46 -0.28 0.00 -0.01 0.00 0.00 54.79 53.06 3neh n ASP 98 Cb 0.16 0.10 -0.03 0.00 -1.03 0.00 0.00 41.12 40.31 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 3.52 -0.21 0.11 -0.14 -0.51 -4.81 119.74 115.51 3neh s LYS 99 Ca 0.30 -0.33 -0.03 0.00 -1.36 0.00 0.00 55.97 54.55 3neh s LYS 99 Cb 0.20 -2.87 -0.00 0.00 -1.68 0.00 0.00 37.83 33.48 3neh s LYS 99 CO 0.40 0.44 -0.07 0.42 -0.76 0.00 0.00 175.35 175.78 3neh s ILE 100 N -1.79 3.17 0.36 2.17 1.01 -0.22 -4.88 121.20 121.01 3neh s ILE 100 Ca 0.38 -0.56 -0.25 0.00 0.00 0.00 0.00 60.65 60.21 3neh s ILE 100 Cb -0.11 -2.42 -0.09 0.00 0.01 0.00 0.00 42.46 39.84 3neh s ILE 100 CO 0.28 0.45 1.03 -0.83 0.00 0.00 0.00 174.94 175.87 3neh s GLY 101 N 1.37 2.81 -0.05 6.18 0.00 0.52 -0.68 107.32 117.47 3neh s GLY 101 Ca 0.04 0.69 0.01 0.00 0.00 0.00 0.00 44.72 45.47 3neh s GLY 101 CO -0.04 1.16 -0.05 0.00 0.00 0.00 0.00 173.10 174.16 3neh s ALA 102 N -1.56 0.75 0.17 3.20 0.00 -0.23 -1.41 121.76 122.68 3neh s ALA 102 Ca 0.54 -0.11 0.10 0.00 0.00 0.00 0.00 51.96 52.49 3neh s ALA 102 Cb -0.23 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 3neh s ALA 102 CO 0.29 -0.02 -0.22 0.00 0.00 0.00 0.00 175.76 175.80 3neh s MET 103 N 0.94 1.38 0.07 0.00 0.23 -0.68 -1.15 119.30 120.10 3neh s MET 103 Ca -0.11 -1.43 -0.17 0.00 -1.03 0.00 0.00 55.69 52.96 3neh s MET 103 Cb -0.14 -1.65 -0.06 0.00 -1.53 0.00 0.00 34.83 31.44 3neh s MET 103 CO 0.00 0.36 0.53 -0.51 -2.03 0.00 0.00 175.02 173.37 3neh s LEU 104 N -2.50 4.47 0.16 0.18 1.43 -1.26 -0.12 118.68 121.05 3neh s LEU 104 Ca 0.17 1.15 0.05 0.00 -1.03 0.00 0.00 54.13 54.47 3neh s LEU 104 Cb -0.08 -2.90 -0.05 0.00 0.03 0.00 0.00 46.19 43.19 3neh s LEU 104 CO 0.08 0.25 -0.11 0.42 0.23 0.00 0.00 176.35 177.22 3neh s THR 105 N -1.18 1.31 -0.25 5.49 -4.23 -0.66 -1.36 115.64 114.76 3neh s THR 105 Ca 0.30 -2.10 -0.01 0.00 -1.18 0.00 0.00 61.69 58.70 3neh s THR 105 Cb -0.18 -1.91 0.03 0.00 1.34 0.00 0.00 72.50 71.78 3neh s THR 105 CO 0.18 -0.70 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.27 3neh s LEU 106 N -3.21 3.20 -1.05 4.79 2.96 -0.06 -0.04 118.68 125.27 3neh s LEU 106 Ca 0.18 -0.96 -0.14 0.00 -0.22 0.00 0.00 54.13 53.00 3neh s LEU 106 Cb 0.02 -1.64 0.20 0.00 0.50 0.00 0.00 46.19 45.27 3neh s LEU 106 CO 0.02 -0.14 1.16 -0.70 -1.32 0.00 0.00 176.35 175.37 3neh s GLU 107 N 1.29 3.93 0.00 1.98 2.12 -0.53 -0.65 118.70 126.83 3neh s GLU 107 Ca -0.01 -2.56 0.00 0.00 0.36 0.00 0.00 54.97 52.75 3neh s GLU 107 Cb -0.17 -4.77 0.00 0.00 0.26 0.00 0.00 34.13 29.45 3neh s GLU 107 CO -0.05 -1.53 0.00 0.41 -0.54 0.00 0.00 175.26 173.55 3neh n GLY 108 N 3.99 -0.17 0.30 -1.50 0.00 0.32 -4.48 105.19 103.65 3neh n GLY 108 Ca 0.26 -1.30 0.02 0.00 0.00 0.00 0.00 46.02 45.00 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 1.21 0.21 -0.32 -0.61 -6.64 -0.82 -4.39 119.36 108.00 3neh n ILE 109 Ca 0.00 -0.19 0.16 0.00 -1.77 0.00 0.00 62.75 60.95 3neh n ILE 109 Cb 0.00 0.05 0.33 0.00 -1.44 0.00 0.00 39.64 38.58 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 0.81 0.09 0.00 6.28 3.07 -1.89 -0.96 114.58 121.99 3neh h GLU 110 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3neh h GLU 110 Cb 0.23 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 3neh h GLU 110 CO 0.01 0.06 0.00 -1.35 -1.40 0.00 0.00 179.01 176.33 3neh h PRO 111 N 0.09 0.00 -0.01 2.33 0.11 -1.86 -2.53 132.00 130.13 3neh h PRO 111 Ca 0.61 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.72 3neh h PRO 111 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3neh h PRO 111 CO -0.78 0.00 -0.13 0.44 -0.21 0.00 0.00 178.00 177.32 3neh n ILE 112 N -3.02 0.00 -0.38 4.15 -5.35 -0.36 -3.83 119.36 110.57 3neh n ILE 112 Ca -0.02 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 3neh n ILE 112 Cb 0.14 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.10 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 1.27 3.34 1.35 3.28 0.00 -0.96 -1.08 105.19 112.40 3neh n GLY 113 Ca 0.15 -0.10 0.10 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 3.12 -3.50 1.61 1.74 -1.26 -4.93 116.66 127.44 3neh n ARG 114 Ca 0.00 -2.69 -0.42 0.00 -0.77 0.00 0.00 57.85 53.97 3neh n ARG 114 Cb 0.00 -1.66 -0.09 0.00 -1.02 0.00 0.00 32.46 29.69 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 -0.99 5.88 0.53 0.55 -1.08 -0.24 -4.92 116.67 116.39 3neh s ASP 115 Ca 0.47 -1.39 0.26 0.00 -0.52 0.00 0.00 52.55 51.37 3neh s ASP 115 Cb 0.27 -2.08 1.46 0.00 -1.46 0.00 0.00 42.92 41.11 3neh s ASP 115 CO 0.28 -0.58 2.10 0.25 0.52 0.00 0.00 175.17 177.73 3neh h LEU 116 N 8.57 0.00 -1.47 -1.34 5.85 -1.92 -1.76 115.31 123.24 3neh h LEU 116 Ca -0.26 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.41 3neh h LEU 116 Cb 1.10 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3neh h LEU 116 CO 0.81 0.11 -0.27 -0.78 -0.34 0.00 0.00 178.44 177.96 3neh h ASP 117 N 0.00 0.00 -0.18 1.25 3.58 -1.93 -0.74 116.42 118.40 3neh h ASP 117 Ca -0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.33 3neh h ASP 117 Cb 0.27 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 3neh h ASP 117 CO 0.01 0.27 -0.27 0.11 -2.88 0.00 0.00 179.24 176.48 3neh h LYS 118 N 0.00 0.66 -0.44 0.28 1.57 -1.63 -0.90 116.57 116.11 3neh h LYS 118 Ca -0.00 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.44 3neh h LYS 118 Cb 0.51 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3neh h LYS 118 CO 0.04 0.86 0.03 1.25 -0.57 0.00 0.00 179.45 181.05 3neh h LEU 119 N 0.57 0.74 -0.69 2.94 5.85 -1.40 -2.21 115.31 121.10 3neh h LEU 119 Ca 0.07 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.57 3neh h LEU 119 Cb 0.76 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 3neh h LEU 119 CO 0.06 0.85 0.38 0.74 -0.34 0.00 0.00 178.44 180.13 3neh h THR 120 N 0.61 0.95 -0.64 1.05 2.02 -0.84 0.13 112.91 116.19 3neh h THR 120 Ca 0.13 -0.24 0.06 0.00 0.77 0.00 0.00 66.41 67.13 3neh h THR 120 Cb 0.45 0.19 -0.06 0.00 -1.74 0.00 0.00 68.15 67.00 3neh h THR 120 CO 0.02 0.13 0.33 1.56 0.37 0.00 0.00 175.52 177.93 3neh h GLN 121 N 0.70 0.60 -0.55 6.66 4.20 -0.92 0.11 115.11 125.90 3neh h GLN 121 Ca 0.32 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.88 3neh h GLN 121 Cb 0.22 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3neh h GLN 121 CO -0.20 0.39 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.18 3neh h LEU 122 N 0.61 1.05 -0.55 1.46 3.38 -0.68 -0.69 115.31 119.90 3neh h LEU 122 Ca 0.29 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3neh h LEU 122 Cb 0.22 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3neh h LEU 122 CO -0.20 1.15 0.11 -0.07 0.09 0.00 0.00 178.44 179.52 3neh h LEU 123 N 0.93 0.85 -1.53 1.67 3.38 -0.57 -1.77 115.31 118.28 3neh h LEU 123 Ca 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3neh h LEU 123 Cb 0.68 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3neh h LEU 123 CO 0.05 0.88 0.04 0.44 0.09 0.00 0.00 178.44 179.94 3neh h ASP 124 N 0.79 0.31 0.60 -0.43 3.32 -0.57 0.10 116.42 120.54 3neh h ASP 124 Ca 0.17 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3neh h ASP 124 Cb 0.38 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3neh h ASP 124 CO 0.01 0.34 0.00 0.61 -1.72 0.00 0.00 179.24 178.47 3neh n GLY 125 N -1.17 -1.13 0.00 2.75 0.00 -0.29 -4.88 105.19 100.47 3neh n GLY 125 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.53 1.28 3.69 -0.02 0.00 0.02 -5.00 105.19 105.70 3neh n GLY 126 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3neh n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3neh s VAL 127 N -2.00 2.86 -0.95 1.61 1.01 -0.73 -4.26 120.40 117.93 3neh s VAL 127 Ca 0.00 0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.37 3neh s VAL 127 Cb 0.00 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.21 3neh s VAL 127 CO 0.00 -0.00 0.67 0.18 0.00 0.00 0.00 175.10 175.94 3neh n LEU 128 N 5.77 1.36 -3.78 3.92 4.77 -0.46 -4.66 117.00 123.92 3neh n LEU 128 Ca 0.17 -0.84 -0.13 0.00 -0.03 0.00 0.00 56.01 55.18 3neh n LEU 128 Cb 0.40 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.37 3neh n LEU 128 CO 0.64 0.27 -0.09 -0.55 -1.33 0.00 0.00 177.39 176.33 3neh s SER 129 N -1.13 -0.27 -0.11 -1.43 0.15 -1.26 -1.77 113.70 107.88 3neh s SER 129 Ca 0.09 0.51 -0.01 0.00 0.70 0.00 0.00 55.95 57.25 3neh s SER 129 Cb 0.08 0.50 0.03 0.00 -1.71 0.00 0.00 66.02 64.92 3neh s SER 129 CO 0.20 -0.10 -0.06 -0.69 1.20 0.00 0.00 173.24 173.78 3neh s VAL 130 N 0.31 0.96 -0.19 4.45 1.01 -0.49 -0.88 120.40 125.57 3neh s VAL 130 Ca -0.01 -0.27 -0.22 0.00 0.00 0.00 0.00 61.98 61.48 3neh s VAL 130 Cb -0.03 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 3neh s VAL 130 CO -0.01 0.33 0.69 -0.83 0.00 0.00 0.00 175.10 175.28 3neh s GLY 131 N 1.73 2.08 0.38 4.51 0.00 0.18 -0.47 107.32 115.73 3neh s GLY 131 Ca 0.05 -0.18 0.08 0.00 0.00 0.00 0.00 44.72 44.66 3neh s GLY 131 CO -0.08 1.40 1.94 1.41 0.00 0.00 0.00 173.10 177.77 3neh h LEU 132 N 8.19 0.34 -8.55 0.66 3.38 -1.85 0.94 115.31 118.43 3neh h LEU 132 Ca -0.31 -0.05 -0.33 0.00 0.09 0.00 0.00 57.88 57.27 3neh h LEU 132 Cb 1.14 -0.09 -0.17 0.00 0.09 0.00 0.00 40.66 41.64 3neh h LEU 132 CO 0.79 0.42 -0.73 0.42 0.09 0.00 0.00 178.44 179.43 3neh s THR 133 N -4.95 1.08 0.00 0.22 -4.23 -1.26 -1.95 115.64 104.55 3neh s THR 133 Ca -0.07 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 3neh s THR 133 Cb 0.16 -1.58 0.00 0.00 1.34 0.00 0.00 72.50 72.42 3neh s THR 133 CO 0.74 -0.62 0.00 1.87 -0.54 0.00 0.00 174.62 176.07 3neh n TRP 134 N 0.25 0.00 0.75 3.99 -0.00 -1.26 -3.82 117.44 117.35 3neh n TRP 134 Ca -0.14 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.50 3neh n TRP 134 Cb 0.59 0.00 0.48 0.00 -0.00 0.00 0.00 31.31 32.38 3neh n TRP 134 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 3neh n ASN 135 N 0.00 0.54 -4.93 5.87 3.02 -1.26 -4.10 115.26 114.39 3neh n ASN 135 Ca 0.00 0.55 -0.20 0.00 -0.03 0.00 0.00 54.58 54.90 3neh n ASN 135 Cb 0.00 -0.69 -0.02 0.00 -0.61 0.00 0.00 39.78 38.46 3neh n ASN 135 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3neh s ASN 136 N -4.01 5.65 0.26 6.41 0.01 -1.26 -1.14 114.94 120.86 3neh s ASN 136 Ca 0.12 -0.34 -0.31 0.00 -0.71 0.00 0.00 52.86 51.62 3neh s ASN 136 Cb 0.15 -1.08 -0.11 0.00 0.41 0.00 0.00 41.25 40.61 3neh s ASN 136 CO 0.57 -0.42 1.63 0.00 -1.51 0.00 0.00 177.10 177.37 3neh s ALA 137 N -2.25 3.80 0.23 0.60 0.00 -1.26 -1.75 121.76 121.13 3neh s ALA 137 Ca 0.44 1.56 0.05 0.00 0.00 0.00 0.00 51.96 54.01 3neh s ALA 137 Cb -0.08 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 3neh s ALA 137 CO 0.29 -0.95 0.20 0.27 0.00 0.00 0.00 175.76 175.57 3neh n ASN 138 N 2.76 -0.52 0.01 0.00 0.23 -0.58 -4.92 115.26 112.24 3neh n ASN 138 Ca 0.10 -2.49 0.07 0.00 -0.53 0.00 0.00 54.58 51.74 3neh n ASN 138 Cb 0.37 1.19 0.31 0.00 -2.08 0.00 0.00 39.78 39.56 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 0.04 -0.11 -4.53 4.77 -1.26 -3.13 117.00 112.78 3neh n LEU 139 Ca 0.05 0.51 -0.14 0.00 -0.03 0.00 0.00 56.01 56.40 3neh n LEU 139 Cb 0.41 -0.50 -0.14 0.00 -2.33 0.00 0.00 43.42 40.86 3neh n LEU 139 CO 0.21 -0.28 -1.23 0.00 -1.33 0.00 0.00 177.39 174.76 3neh n ALA 140 N -1.52 1.47 -3.64 -1.18 0.00 -1.26 -4.41 120.51 109.97 3neh n ALA 140 Ca 0.03 -1.23 0.01 0.00 0.00 0.00 0.00 53.44 52.26 3neh n ALA 140 Cb 0.17 -0.16 -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 -2.24 -0.02 0.00 0.00 -1.18 -1.27 121.76 114.54 3neh s ALA 141 Ca -0.21 0.64 -0.23 0.00 0.00 0.00 0.00 51.96 52.16 3neh s ALA 141 Cb 0.07 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 3neh s ALA 141 CO 0.73 -1.06 0.70 -0.51 0.00 0.00 0.00 175.76 175.62 3neh s ASP 142 N -3.03 7.04 0.92 0.00 1.01 -1.20 -1.53 116.67 119.88 3neh s ASP 142 Ca 0.15 1.25 -0.14 0.00 0.71 0.00 0.00 52.55 54.52 3neh s ASP 142 Cb 0.04 -2.42 0.15 0.00 1.01 0.00 0.00 42.92 41.71 3neh s ASP 142 CO -0.04 -0.04 1.22 -0.83 0.21 0.00 0.00 175.17 175.69 3neh s GLY 143 N 0.38 1.66 0.47 0.21 0.00 -0.72 -1.39 107.32 107.93 3neh s GLY 143 Ca 0.37 -0.86 0.25 0.00 0.00 0.00 0.00 44.72 44.47 3neh s GLY 143 CO 0.19 -0.21 1.93 1.19 0.00 0.00 0.00 173.10 176.20 3neh h ILE 144 N -1.50 0.62 -0.00 0.90 6.09 -0.06 -2.40 117.51 121.16 3neh h ILE 144 Ca -0.46 -0.90 0.00 0.00 -1.37 0.00 0.00 64.86 62.13 3neh h ILE 144 Cb 1.29 1.58 0.00 0.00 0.47 0.00 0.00 36.82 40.17 3neh h ILE 144 CO 0.52 0.19 -0.33 0.23 -3.07 0.00 0.00 178.15 175.70 3neh n MET 145 N -3.55 0.34 -2.53 2.19 2.81 -0.29 -4.83 117.12 111.26 3neh n MET 145 Ca -0.01 -0.18 -0.43 0.00 -1.81 0.00 0.00 57.70 55.28 3neh n MET 145 Cb 0.35 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.34 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 -2.78 4.30 0.46 0.03 2.56 -0.90 -4.92 118.70 117.45 3neh s GLU 146 Ca 0.18 1.56 0.11 0.00 0.00 0.00 0.00 54.97 56.82 3neh s GLU 146 Cb 0.18 -3.64 1.04 0.00 2.00 0.00 0.00 34.13 33.71 3neh s GLU 146 CO 0.60 -0.55 2.08 1.05 -0.56 0.00 0.00 175.26 177.88 3neh h GLU 147 N 7.64 0.32 -0.81 4.30 4.11 -1.89 -1.75 114.58 126.50 3neh h GLU 147 Ca -0.28 -0.02 0.06 0.00 0.07 0.00 0.00 59.36 59.19 3neh h GLU 147 Cb 1.12 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.25 3neh h GLU 147 CO 0.93 0.21 0.53 -0.09 0.07 0.00 0.00 179.01 180.66 3neh h ARG 148 N 0.33 0.87 -4.16 1.06 2.43 -1.95 -3.46 114.38 109.50 3neh h ARG 148 Ca 0.11 -0.05 -0.41 0.00 -0.81 0.00 0.00 59.98 58.82 3neh h ARG 148 Cb 0.05 -0.20 0.04 0.00 -0.42 0.00 0.00 29.97 29.44 3neh h ARG 148 CO -0.02 0.58 -0.59 0.41 -1.51 0.00 0.00 179.97 178.84 3neh n GLY 149 N -1.42 -0.52 3.78 2.80 0.00 -0.66 -4.98 105.19 104.18 3neh n GLY 149 Ca 0.12 0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.13 1.99 0.13 4.61 0.00 -1.26 -4.32 121.76 119.78 3neh s ALA 150 Ca 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.97 3neh s ALA 150 Cb -0.10 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.90 3neh s ALA 150 CO 0.29 -1.97 0.00 0.41 0.00 0.00 0.00 175.76 174.48 3neh n GLY 151 N -1.87 1.37 3.79 0.00 0.00 -1.26 -3.26 105.19 103.95 3neh n GLY 151 Ca 0.07 -1.57 -0.38 0.00 0.00 0.00 0.00 46.02 44.14 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 4.50 0.77 0.99 1.43 -1.26 -3.56 118.68 121.55 3neh s LEU 152 Ca 0.00 1.53 -0.10 0.00 -1.03 0.00 0.00 54.13 54.53 3neh s LEU 152 Cb 0.00 -3.35 0.07 0.00 0.03 0.00 0.00 46.19 42.95 3neh s LEU 152 CO 0.00 0.16 1.11 0.42 0.23 0.00 0.00 176.35 178.27 3neh s THR 153 N -1.27 2.11 0.29 5.49 -4.23 -0.39 -4.89 115.64 112.75 3neh s THR 153 Ca 0.37 -0.11 0.03 0.00 -1.18 0.00 0.00 61.69 60.80 3neh s THR 153 Cb -0.21 -3.00 0.29 0.00 1.34 0.00 0.00 72.50 70.92 3neh s THR 153 CO 0.24 0.00 1.82 -0.09 -0.54 0.00 0.00 174.62 176.05 3neh h ARG 154 N -0.87 0.90 -0.68 3.99 9.65 -1.90 -0.91 114.38 124.57 3neh h ARG 154 Ca -0.45 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.36 3neh h ARG 154 Cb 1.32 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 29.67 3neh h ARG 154 CO 0.63 0.60 0.36 0.35 2.80 0.00 0.00 179.97 184.72 3neh h PHE 155 N 0.93 0.93 -0.48 2.20 3.57 -1.89 0.14 116.94 122.35 3neh h PHE 155 Ca 0.52 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 62.01 3neh h PHE 155 Cb 0.61 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 3neh h PHE 155 CO -0.00 0.67 0.31 0.78 -2.23 0.00 0.00 178.31 177.83 3neh h GLY 156 N 0.93 0.68 0.99 2.40 0.00 -1.37 0.99 103.07 107.69 3neh h GLY 156 Ca 0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3neh h GLY 156 CO -0.04 0.22 0.26 0.50 0.00 0.00 0.00 176.54 177.48 3neh h LYS 157 N 0.62 0.83 -0.76 4.80 1.57 -0.50 -1.88 116.57 121.25 3neh h LYS 157 Ca 0.18 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3neh h LYS 157 Cb -0.04 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.09 3neh h LYS 157 CO -0.06 0.69 0.41 -0.44 -0.57 0.00 0.00 179.45 179.48 3neh h ASP 158 N 0.77 0.95 -0.06 0.86 3.32 -0.32 -1.45 116.42 120.49 3neh h ASP 158 Ca 0.19 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 3neh h ASP 158 Cb 0.15 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 3neh h ASP 158 CO -0.02 0.77 0.03 0.40 -1.72 0.00 0.00 179.24 178.71 3neh h ILE 159 N 1.07 1.08 -0.97 0.35 2.04 -0.48 -2.22 117.51 118.39 3neh h ILE 159 Ca 0.27 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.93 3neh h ILE 159 Cb 0.04 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 3neh h ILE 159 CO -0.04 0.07 0.63 0.40 0.00 0.00 0.00 178.15 179.21 3neh h ILE 160 N 0.01 1.17 -0.79 -0.67 2.04 -1.02 -0.01 117.51 118.24 3neh h ILE 160 Ca 0.02 -0.42 0.04 0.00 1.00 0.00 0.00 64.86 65.50 3neh h ILE 160 Cb 0.08 -0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 35.95 3neh h ILE 160 CO -0.00 0.22 0.50 -0.74 0.00 0.00 0.00 178.15 178.13 3neh h HIS 161 N 1.22 0.93 -0.45 1.37 2.76 -1.01 -0.04 115.15 119.94 3neh h HIS 161 Ca 0.38 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.54 3neh h HIS 161 Cb -0.00 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 28.63 3neh h HIS 161 CO -0.01 0.52 0.12 1.25 -1.30 0.00 0.00 177.93 178.52 3neh h LEU 162 N 0.96 0.67 -0.33 0.26 5.85 -0.54 -1.37 115.31 120.81 3neh h LEU 162 Ca 0.32 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.84 3neh h LEU 162 Cb 0.04 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3neh h LEU 162 CO -0.12 0.71 0.18 -0.07 -0.34 0.00 0.00 178.44 178.80 3neh h LEU 163 N 0.59 0.28 -0.40 2.25 3.38 -0.51 0.22 115.31 121.12 3neh h LEU 163 Ca 0.14 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.17 3neh h LEU 163 Cb 0.30 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3neh h LEU 163 CO -0.00 0.20 0.12 0.78 0.09 0.00 0.00 178.44 179.64 3neh h ASN 164 N 0.37 0.11 -0.94 -0.43 2.35 -0.85 -0.96 115.58 115.22 3neh h ASN 164 Ca 0.13 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3neh h ASN 164 Cb 0.03 0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.40 3neh h ASN 164 CO -0.08 0.10 0.59 -0.08 -1.65 0.00 0.00 177.43 176.31 3neh h GLU 165 N 0.27 1.26 -0.04 0.81 4.81 -0.67 -2.63 114.58 118.39 3neh h GLU 165 Ca 0.19 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3neh h GLU 165 Cb 0.19 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3neh h GLU 165 CO -0.21 0.86 0.00 0.54 -0.73 0.00 0.00 179.01 179.47 3neh n ARG 166 N -4.37 1.54 -3.43 1.92 5.12 0.01 -4.93 116.66 112.52 3neh n ARG 166 Ca 0.11 -0.78 -0.19 0.00 -1.93 0.00 0.00 57.85 55.05 3neh n ARG 166 Cb 0.04 -1.46 0.08 0.00 -1.16 0.00 0.00 32.46 29.96 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 -0.04 -6.81 -4.38 5.56 4.76 -0.51 -5.02 118.16 111.72 3neh n LYS 167 Ca 0.19 0.79 -0.31 0.00 -2.87 0.00 0.00 58.31 56.11 3neh n LYS 167 Cb 0.30 -5.69 -0.10 0.00 -1.84 0.00 0.00 35.03 27.70 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 -3.32 3.59 0.43 -0.18 1.01 -0.48 -4.73 120.40 116.71 3neh s VAL 168 Ca 0.24 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 3neh s VAL 168 Cb -0.10 -2.60 -0.08 0.00 0.00 0.00 0.00 36.38 33.59 3neh s VAL 168 CO 0.69 0.30 1.11 -0.36 0.00 0.00 0.00 175.10 176.84 3neh s PHE 169 N -1.07 3.08 -0.28 5.22 0.08 -0.73 -4.46 117.98 119.83 3neh s PHE 169 Ca 0.19 1.59 -0.10 0.00 0.12 0.00 0.00 56.93 58.73 3neh s PHE 169 Cb -0.11 -3.25 -0.04 0.00 -0.57 0.00 0.00 43.02 39.04 3neh s PHE 169 CO 0.10 -1.05 0.17 0.99 -0.10 0.00 0.00 175.22 175.33 3neh s THR 170 N -1.60 5.10 -0.27 0.64 2.01 0.26 -1.39 115.64 120.39 3neh s THR 170 Ca 0.60 0.09 -0.12 0.00 0.31 0.00 0.00 61.69 62.57 3neh s THR 170 Cb -0.25 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 3neh s THR 170 CO 0.31 0.26 0.23 -0.62 -0.69 0.00 0.00 174.62 174.11 3neh s ASP 171 N 1.73 6.09 0.03 3.53 2.15 0.38 -1.89 116.67 128.70 3neh s ASP 171 Ca 0.07 0.08 0.25 0.00 0.43 0.00 0.00 52.55 53.38 3neh s ASP 171 Cb -0.16 -2.14 0.41 0.00 -0.30 0.00 0.00 42.92 40.74 3neh s ASP 171 CO 0.09 -0.06 1.35 1.33 -0.17 0.00 0.00 175.17 177.71 3neh n VAL 172 N 4.93 0.11 -1.69 1.11 0.24 0.08 -3.88 118.33 119.21 3neh n VAL 172 Ca -0.13 -0.09 -0.44 0.00 -2.04 0.00 0.00 64.34 61.64 3neh n VAL 172 Cb 0.52 0.16 -0.03 0.00 -1.47 0.00 0.00 33.84 33.01 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 -1.70 3.30 0.00 -1.34 7.64 -1.26 -1.63 113.62 118.63 3neh n SER 173 Ca 0.05 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.04 3neh n SER 173 Cb 0.37 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 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 2.77 0.00 -2.19 1.43 8.25 -1.26 -4.81 115.22 119.41 3neh n HIS 174 Ca 0.13 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.23 3neh n HIS 174 Cb 0.32 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.44 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 3.88 0.94 2.41 1.43 -0.64 0.37 118.68 127.07 3neh s LEU 175 Ca 0.00 2.31 -0.11 0.00 -1.03 0.00 0.00 54.13 55.30 3neh s LEU 175 Cb 0.00 -4.39 0.11 0.00 0.03 0.00 0.00 46.19 41.94 3neh s LEU 175 CO 0.00 -1.13 0.84 -1.54 0.23 0.00 0.00 176.35 174.75 3neh n SER 176 N -0.90 -0.69 -0.12 2.29 3.41 -0.48 -4.06 113.62 113.06 3neh n SER 176 Ca 0.10 0.36 -0.07 0.00 -0.26 0.00 0.00 58.87 58.99 3neh n SER 176 Cb 0.49 -1.36 0.01 0.00 -0.26 0.00 0.00 64.21 63.09 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 -1.81 1.02 -0.45 -3.33 2.07 -1.89 0.13 116.25 111.99 3neh h VAL 177 Ca -0.44 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 66.93 3neh h VAL 177 Cb 1.28 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3neh h VAL 177 CO 0.39 0.08 0.30 0.50 0.02 0.00 0.00 177.57 178.85 3neh h LYS 178 N 0.45 0.59 -0.57 1.57 1.63 -1.85 -2.27 116.57 116.12 3neh h LYS 178 Ca 0.16 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.88 3neh h LYS 178 Cb 0.03 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.50 3neh h LYS 178 CO -0.09 0.39 0.18 0.00 -3.45 0.00 0.00 179.45 176.49 3neh h ALA 179 N 1.17 1.25 -0.03 5.00 0.00 -1.63 -2.13 119.26 122.88 3neh h ALA 179 Ca 0.17 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3neh h ALA 179 Cb -0.07 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 3neh h ALA 179 CO -0.04 0.53 -0.25 0.35 0.00 0.00 0.00 179.25 179.84 3neh h PHE 180 N 0.83 -0.68 -0.59 0.00 3.04 -0.41 0.10 116.94 119.24 3neh h PHE 180 Ca 0.19 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.11 3neh h PHE 180 Cb 0.23 0.30 -0.02 0.00 2.56 0.00 0.00 35.95 39.02 3neh h PHE 180 CO 0.01 -0.34 0.16 -1.49 -2.02 0.00 0.00 178.31 174.64 3neh h TRP 181 N -0.37 0.98 -0.42 0.41 4.06 -1.13 -1.79 115.95 117.68 3neh h TRP 181 Ca 0.07 -0.11 -0.07 0.00 2.06 0.00 0.00 58.89 60.84 3neh h TRP 181 Cb 0.47 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 28.33 3neh h TRP 181 CO -0.30 0.82 -0.04 0.93 -3.56 0.00 0.00 178.44 176.29 3neh h GLU 182 N 0.85 0.71 -0.43 0.49 5.08 -1.21 -2.86 114.58 117.21 3neh h GLU 182 Ca 0.19 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3neh h GLU 182 Cb 0.32 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3neh h GLU 182 CO -0.00 0.75 -0.12 1.15 -1.00 0.00 0.00 179.01 179.80 3neh h THR 183 N 0.66 1.26 -0.18 1.13 2.02 -0.30 -2.26 112.91 115.24 3neh h THR 183 Ca 0.13 -1.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.09 3neh h THR 183 Cb 0.47 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 3neh h THR 183 CO 0.02 0.40 -0.05 -0.07 0.37 0.00 0.00 175.52 176.20 3neh h LEU 184 N 0.70 0.25 -0.49 2.58 4.07 -1.11 0.19 115.31 121.50 3neh h LEU 184 Ca 0.12 -0.04 -0.17 0.00 0.08 0.00 0.00 57.88 57.87 3neh h LEU 184 Cb 0.60 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 3neh h LEU 184 CO 0.04 0.34 -0.72 -0.08 -1.08 0.00 0.00 178.44 176.94 3neh h GLU 185 N 0.26 0.23 0.11 1.13 4.57 -1.31 -3.36 114.58 116.21 3neh h GLU 185 Ca 0.06 -0.19 -0.36 0.00 -1.18 0.00 0.00 59.36 57.69 3neh h GLU 185 Cb 0.26 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 3neh h GLU 185 CO 0.01 0.85 -2.02 1.04 -1.18 0.00 0.00 179.01 177.71 3neh n GLN 186 N -3.78 0.74 -3.16 1.92 1.13 -0.80 -4.97 117.38 108.47 3neh n GLN 186 Ca -0.03 0.25 -0.39 0.00 -1.94 0.00 0.00 57.00 54.90 3neh n GLN 186 Cb 0.70 -1.70 -0.06 0.00 0.11 0.00 0.00 30.24 29.29 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 -2.56 3.53 -0.06 -1.58 0.00 0.60 -4.87 121.76 116.83 3neh s ALA 187 Ca -0.22 0.17 -0.06 0.00 0.00 0.00 0.00 51.96 51.85 3neh s ALA 187 Cb 0.07 -2.77 -0.28 0.00 0.00 0.00 0.00 23.12 20.14 3neh s ALA 187 CO 0.76 0.35 0.60 1.49 0.00 0.00 0.00 175.76 178.97 3neh h GLU 188 N 4.47 0.29 -4.07 0.00 4.81 -1.90 -3.44 114.58 114.74 3neh h GLU 188 Ca -0.49 -0.49 -0.65 0.00 -0.13 0.00 0.00 59.36 57.61 3neh h GLU 188 Cb 1.21 0.18 -0.40 0.00 0.63 0.00 0.00 28.75 30.37 3neh h GLU 188 CO 0.65 1.17 -0.69 -0.06 -0.73 0.00 0.00 179.01 179.34 3neh s PHE 189 N -2.58 3.39 -0.11 0.92 0.08 -1.26 -5.07 117.98 113.34 3neh s PHE 189 Ca -0.16 -3.00 -0.05 0.00 0.12 0.00 0.00 56.93 53.84 3neh s PHE 189 Cb 0.06 -2.80 -0.04 0.00 -0.57 0.00 0.00 43.02 39.68 3neh s PHE 189 CO 0.82 -0.86 0.08 0.08 -0.10 0.00 0.00 175.22 175.24 3neh s VAL 190 N 0.45 5.00 0.02 -0.44 1.01 -1.26 -0.58 120.40 124.60 3neh s VAL 190 Ca 0.14 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 3neh s VAL 190 Cb -0.22 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 3neh s VAL 190 CO -0.05 0.61 0.06 -0.51 0.00 0.00 0.00 175.10 175.21 3neh s ILE 191 N -0.92 0.12 -0.33 2.22 2.07 -0.79 -2.68 121.20 120.89 3neh s ILE 191 Ca 0.14 -1.00 -0.01 0.00 -1.41 0.00 0.00 60.65 58.38 3neh s ILE 191 Cb -0.12 -0.64 0.07 0.00 0.13 0.00 0.00 42.46 41.90 3neh s ILE 191 CO 0.03 -0.55 0.04 0.00 -1.91 0.00 0.00 174.94 172.56 3neh s ALA 192 N -2.07 2.88 -0.17 1.50 0.00 -0.11 -0.75 121.76 123.04 3neh s ALA 192 Ca -0.10 -2.06 0.29 0.00 0.00 0.00 0.00 51.96 50.09 3neh s ALA 192 Cb -0.05 -2.01 0.94 0.00 0.00 0.00 0.00 23.12 21.99 3neh s ALA 192 CO -0.02 -1.45 1.82 0.66 0.00 0.00 0.00 175.76 176.76 3neh h SER 193 N 7.93 0.00 -0.68 0.00 4.64 -1.85 0.70 113.55 124.29 3neh h SER 193 Ca -0.16 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.10 3neh h SER 193 Cb 1.05 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.98 3neh h SER 193 CO 0.56 0.00 -0.34 -1.38 -0.87 0.00 0.00 176.83 174.81 3neh s HIS 194 N -3.45 -1.12 -0.04 4.77 -3.43 -1.20 -4.16 115.29 106.65 3neh s HIS 194 Ca 0.04 -0.24 -0.08 0.00 -0.80 0.00 0.00 55.06 53.98 3neh s HIS 194 Cb 0.08 0.22 0.01 0.00 -1.43 0.00 0.00 32.58 31.46 3neh s HIS 194 CO 0.58 -0.85 0.19 -1.12 -2.00 0.00 0.00 174.74 171.54 3neh s SER 195 N 1.17 -0.11 0.06 7.38 0.01 -0.61 -4.83 113.70 116.77 3neh s SER 195 Ca 0.24 0.12 0.01 0.00 1.31 0.00 0.00 55.95 57.63 3neh s SER 195 Cb 0.03 0.32 0.01 0.00 0.21 0.00 0.00 66.02 66.59 3neh s SER 195 CO -0.08 -0.24 0.06 0.59 0.41 0.00 0.00 173.24 173.98 3neh n ASN 196 N 2.16 1.01 -4.61 2.44 3.02 -1.26 -3.96 115.26 114.05 3neh n ASN 196 Ca -0.18 -1.21 -0.38 0.00 -0.03 0.00 0.00 54.58 52.78 3neh n ASN 196 Cb 0.57 -0.01 -0.10 0.00 -0.61 0.00 0.00 39.78 39.63 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 -2.09 3.56 0.31 5.41 0.00 -1.26 -0.89 121.76 126.80 3neh s ALA 197 Ca 0.04 -0.91 0.24 0.00 0.00 0.00 0.00 51.96 51.33 3neh s ALA 197 Cb -0.00 -2.58 1.15 0.00 0.00 0.00 0.00 23.12 21.68 3neh s ALA 197 CO 0.03 -0.55 1.94 -0.22 0.00 0.00 0.00 175.76 176.96 3neh h LYS 198 N 8.13 0.00 0.00 0.00 3.64 -1.18 -1.40 116.57 125.76 3neh h LYS 198 Ca -0.34 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.00 3neh h LYS 198 Cb 1.17 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 3neh h LYS 198 CO 0.61 0.20 -0.22 0.00 -2.27 0.00 0.00 179.45 177.77 3neh h ALA 199 N 1.80 1.54 0.09 5.00 0.00 -1.94 -3.05 119.26 122.69 3neh h ALA 199 Ca -0.00 -0.20 -0.34 0.00 0.00 0.00 0.00 54.91 54.37 3neh h ALA 199 Cb 0.54 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3neh h ALA 199 CO 0.03 0.28 -1.87 -0.89 0.00 0.00 0.00 179.25 176.80 3neh n ILE 200 N -4.14 1.71 -3.82 0.00 2.08 -0.68 -4.82 119.36 109.69 3neh n ILE 200 Ca -0.02 -0.50 -0.25 0.00 0.56 0.00 0.00 62.75 62.54 3neh n ILE 200 Cb 0.29 -1.80 -0.17 0.00 -0.75 0.00 0.00 39.64 37.21 3neh n ILE 200 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3neh n SER 202 N 5.05 0.42 -4.73 0.00 3.41 -1.16 -3.83 113.62 112.77 3neh n SER 202 Ca -0.09 -2.01 -0.42 0.00 -0.26 0.00 0.00 58.87 56.09 3neh n SER 202 Cb 0.50 -0.14 -0.01 0.00 -0.26 0.00 0.00 64.21 64.29 3neh n SER 202 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3neh n HIS 203 N -0.30 2.72 0.29 7.33 -0.00 -1.26 -4.85 115.22 119.15 3neh n HIS 203 Ca 0.01 0.34 0.19 0.00 -0.00 0.00 0.00 57.72 58.27 3neh n HIS 203 Cb 0.09 -2.55 1.04 0.00 -0.00 0.00 0.00 29.99 28.57 3neh n HIS 203 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3neh h PRO 204 N 4.15 0.00 0.00 1.57 0.11 -1.98 0.29 132.00 136.14 3neh h PRO 204 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3neh h PRO 204 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3neh h PRO 204 CO 0.74 0.00 0.00 -0.09 -0.21 0.00 0.00 178.00 178.44 3neh h ARG 205 N 0.00 0.00 -7.25 1.05 9.65 -1.95 -3.46 114.38 112.42 3neh h ARG 205 Ca 0.00 0.00 -0.45 0.00 -1.10 0.00 0.00 59.98 58.43 3neh h ARG 205 Cb 0.03 0.00 0.09 0.00 -1.39 0.00 0.00 29.97 28.70 3neh h ARG 205 CO 0.00 0.00 0.18 -0.80 2.80 0.00 0.00 179.97 182.15 3neh s ASN 206 N -5.15 4.53 -0.19 -3.80 0.01 0.09 -4.70 114.94 105.73 3neh s ASN 206 Ca 0.03 0.14 -0.07 0.00 -0.71 0.00 0.00 52.86 52.24 3neh s ASN 206 Cb 0.09 -0.67 -0.04 0.00 0.41 0.00 0.00 41.25 41.04 3neh s ASN 206 CO 0.49 -1.75 0.06 -0.76 -1.51 0.00 0.00 177.10 173.63 3neh s LEU 207 N -5.23 3.75 0.94 0.60 1.43 -0.06 -4.69 118.68 115.42 3neh s LEU 207 Ca 0.63 0.03 -0.14 0.00 -1.03 0.00 0.00 54.13 53.62 3neh s LEU 207 Cb -0.08 -1.96 0.16 0.00 0.03 0.00 0.00 46.19 44.34 3neh s LEU 207 CO 0.45 0.14 1.20 1.51 0.23 0.00 0.00 176.35 179.87 3neh s ASP 208 N 0.60 3.25 0.24 2.29 1.47 -1.26 -1.02 116.67 122.24 3neh s ASP 208 Ca 0.03 0.67 -0.07 0.00 1.18 0.00 0.00 52.55 54.36 3neh s ASP 208 Cb -0.13 -1.02 0.23 0.00 -0.34 0.00 0.00 42.92 41.66 3neh s ASP 208 CO 0.01 -2.68 1.92 0.44 0.68 0.00 0.00 175.17 175.54 3neh h ASP 209 N -1.60 1.09 -0.46 2.11 5.19 -1.99 0.45 116.42 121.23 3neh h ASP 209 Ca -0.47 -0.03 0.01 0.00 -0.62 0.00 0.00 57.03 55.92 3neh h ASP 209 Cb 1.30 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 40.51 3neh h ASP 209 CO 0.52 0.79 0.30 -0.33 -3.12 0.00 0.00 179.24 177.40 3neh h GLU 210 N 1.29 0.60 -0.42 3.56 5.08 -1.99 -0.18 114.58 122.52 3neh h GLU 210 Ca 0.35 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 3neh h GLU 210 Cb -0.14 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 3neh h GLU 210 CO -0.07 0.39 0.17 1.96 -1.00 0.00 0.00 179.01 180.46 3neh h GLN 211 N 0.61 0.62 -0.70 2.33 4.20 -1.68 -1.29 115.11 119.20 3neh h GLN 211 Ca 0.17 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3neh h GLN 211 Cb -0.07 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 3neh h GLN 211 CO -0.04 0.57 0.37 0.82 -0.67 0.00 0.00 178.83 179.87 3neh h ILE 212 N 0.53 1.22 -0.70 2.54 2.04 -0.62 0.58 117.51 123.10 3neh h ILE 212 Ca 0.14 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 3neh h ILE 212 Cb 0.17 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 3neh h ILE 212 CO -0.01 0.25 0.28 0.11 0.00 0.00 0.00 178.15 178.78 3neh h LYS 213 N 0.97 1.03 -0.40 2.37 1.57 -0.82 -1.35 116.57 119.93 3neh h LYS 213 Ca 0.24 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 3neh h LYS 213 Cb 0.07 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3neh h LYS 213 CO -0.04 0.83 -0.26 0.00 -0.57 0.00 0.00 179.45 179.42 3neh h ALA 214 N 1.30 0.78 -0.38 3.86 0.00 -0.62 -0.40 119.26 123.79 3neh h ALA 214 Ca 0.24 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3neh h ALA 214 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3neh h ALA 214 CO -0.02 0.65 0.23 0.52 0.00 0.00 0.00 179.25 180.63 3neh h MET 215 N 0.72 0.46 -0.40 0.00 2.86 -0.41 -0.18 114.93 117.98 3neh h MET 215 Ca 0.09 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3neh h MET 215 Cb 0.80 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 3neh h MET 215 CO 0.07 0.31 0.24 0.82 1.06 0.00 0.00 176.91 179.40 3neh h ILE 216 N 0.48 1.13 -0.42 -1.22 2.04 -0.98 0.73 117.51 119.28 3neh h ILE 216 Ca 0.15 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.72 3neh h ILE 216 Cb -0.02 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3neh h ILE 216 CO -0.06 0.13 0.28 -0.08 0.00 0.00 0.00 178.15 178.43 3neh h GLU 217 N 0.52 0.49 -0.57 2.37 4.57 -0.76 0.05 114.58 121.25 3neh h GLU 217 Ca 0.14 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3neh h GLU 217 Cb 0.01 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 3neh h GLU 217 CO -0.03 0.33 0.00 0.72 -1.18 0.00 0.00 179.01 178.85 3neh n HIS 218 N -4.48 0.75 -4.22 0.92 8.25 -0.11 -4.91 115.22 111.42 3neh n HIS 218 Ca 0.04 -0.30 -0.32 0.00 -0.26 0.00 0.00 57.72 56.88 3neh n HIS 218 Cb 0.11 -0.15 -0.06 0.00 1.12 0.00 0.00 29.99 31.01 3neh n HIS 218 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3neh n ASP 219 N 0.44 -0.68 -4.98 0.41 2.03 0.00 -4.83 116.55 108.94 3neh n ASP 219 Ca 0.13 -1.14 -0.21 0.00 0.52 0.00 0.00 54.79 54.10 3neh n ASP 219 Cb 0.50 -2.29 0.03 0.00 -0.72 0.00 0.00 41.12 38.64 3neh n ASP 219 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3neh s ALA 220 N -3.88 3.98 -0.12 -1.67 0.00 0.19 -4.86 121.76 115.41 3neh s ALA 220 Ca 0.27 -1.34 -0.05 0.00 0.00 0.00 0.00 51.96 50.84 3neh s ALA 220 Cb -0.15 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 3neh s ALA 220 CO 0.95 -0.58 0.06 -1.64 0.00 0.00 0.00 175.76 174.56 3neh s MET 221 N -4.63 3.34 -0.20 0.00 -1.94 -1.09 -4.69 119.30 110.08 3neh s MET 221 Ca 0.55 -0.30 -0.02 0.00 -1.71 0.00 0.00 55.69 54.21 3neh s MET 221 Cb -0.10 -3.01 0.00 0.00 2.01 0.00 0.00 34.83 33.73 3neh s MET 221 CO 0.37 0.65 -0.11 0.42 -0.01 0.00 0.00 175.02 176.34 3neh s ILE 222 N -0.69 2.88 -0.31 2.53 1.01 0.96 -0.94 121.20 126.64 3neh s ILE 222 Ca 0.12 -0.67 -0.06 0.00 0.00 0.00 0.00 60.65 60.04 3neh s ILE 222 Cb -0.12 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 40.10 3neh s ILE 222 CO 0.02 0.47 0.09 -1.00 0.00 0.00 0.00 174.94 174.52 3neh s HIS 223 N 1.30 3.19 0.47 3.97 3.76 0.24 -0.85 115.29 127.38 3neh s HIS 223 Ca 0.04 -1.20 -0.21 0.00 -0.15 0.00 0.00 55.06 53.53 3neh s HIS 223 Cb -0.14 -2.26 -0.08 0.00 1.11 0.00 0.00 32.58 31.21 3neh s HIS 223 CO -0.06 -0.65 1.08 0.14 -0.85 0.00 0.00 174.74 174.40 3neh s VAL 224 N 1.45 3.51 -0.01 -0.90 -7.23 -0.57 -1.58 120.40 115.07 3neh s VAL 224 Ca 0.01 1.02 0.06 0.00 -1.81 0.00 0.00 61.98 61.26 3neh s VAL 224 Cb -0.18 -3.46 -0.02 0.00 0.56 0.00 0.00 36.38 33.27 3neh s VAL 224 CO 0.02 -0.12 -0.21 0.54 -0.31 0.00 0.00 175.10 175.02 3neh s VAL 225 N -1.78 2.54 -0.82 1.32 0.11 -1.25 -0.25 120.40 120.27 3neh s VAL 225 Ca 0.66 -1.02 -0.02 0.00 -2.93 0.00 0.00 61.98 58.67 3neh s VAL 225 Cb -0.22 -1.97 0.28 0.00 -1.53 0.00 0.00 36.38 32.95 3neh s VAL 225 CO 0.26 0.52 2.16 0.49 -3.33 0.00 0.00 175.10 175.21 3neh n PHE 226 N 2.18 2.66 -3.94 1.54 3.72 -0.32 -4.83 117.46 118.46 3neh n PHE 226 Ca -0.17 -2.30 -0.35 0.00 -0.05 0.00 0.00 57.45 54.59 3neh n PHE 226 Cb 0.52 -1.26 -0.14 0.00 -0.94 0.00 0.00 39.48 37.66 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 -3.52 3.07 0.31 1.38 5.04 -1.26 -3.98 117.35 118.39 3neh s TYR 227 Ca 0.52 -1.49 0.07 0.00 -2.44 0.00 0.00 57.07 53.72 3neh s TYR 227 Cb 0.38 -2.07 0.81 0.00 0.35 0.00 0.00 41.96 41.43 3neh s TYR 227 CO -0.32 -0.71 1.73 -1.35 -1.34 0.00 0.00 175.55 173.55 3neh h PRO 228 N 8.03 0.53 -0.09 4.97 0.11 -1.86 0.69 132.00 144.39 3neh h PRO 228 Ca -0.33 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.78 3neh h PRO 228 Cb 1.11 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3neh h PRO 228 CO 0.58 0.35 0.08 1.25 -0.21 0.00 0.00 178.00 180.05 3neh h LEU 229 N 0.55 0.00 -2.26 2.35 5.85 -1.83 0.35 115.31 120.31 3neh h LEU 229 Ca 0.61 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.33 3neh h LEU 229 Cb 1.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3neh h LEU 229 CO -0.48 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 178.11 3neh n PHE 230 N -4.21 0.41 -0.09 1.25 0.99 0.17 -4.57 117.46 111.41 3neh n PHE 230 Ca -0.01 -0.23 -0.14 0.00 -0.00 0.00 0.00 57.45 57.08 3neh n PHE 230 Cb 0.19 -0.00 -0.08 0.00 -1.00 0.00 0.00 39.48 38.58 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 1.34 1.05 -4.12 4.37 -1.04 0.04 -4.74 114.28 111.18 3neh n THR 231 Ca 0.17 -0.38 -0.15 0.00 -2.04 0.00 0.00 64.05 61.65 3neh n THR 231 Cb 0.57 -1.23 -0.12 0.00 -1.82 0.00 0.00 70.33 67.72 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 -2.36 0.64 0.45 12.58 -4.23 -0.76 -4.53 115.64 117.43 3neh s THR 232 Ca -0.25 -0.94 0.15 0.00 -1.18 0.00 0.00 61.69 59.47 3neh s THR 232 Cb 0.07 -0.65 0.20 0.00 1.34 0.00 0.00 72.50 73.45 3neh s THR 232 CO 0.41 -0.23 2.01 0.78 -0.54 0.00 0.00 174.62 177.05 3neh h ASN 233 N 4.80 0.00 0.59 3.99 2.35 -1.87 -2.40 115.58 123.04 3neh h ASN 233 Ca -0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 3neh h ASN 233 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 3neh h ASN 233 CO 0.43 0.16 -0.23 -0.46 -1.65 0.00 0.00 177.43 175.68 3neh n ASN 234 N -4.32 0.38 0.00 5.81 0.23 -1.26 -4.94 115.26 111.16 3neh n ASN 234 Ca -0.02 -0.16 0.00 0.00 -0.53 0.00 0.00 54.58 53.86 3neh n ASN 234 Cb 0.23 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 3neh n ASN 234 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3neh n GLY 235 N 1.43 0.79 3.34 4.83 0.00 -0.90 -5.02 105.19 109.65 3neh n GLY 235 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.97 2.98 -0.01 1.61 1.01 -1.26 -4.48 120.40 117.28 3neh s VAL 236 Ca 0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 3neh s VAL 236 Cb 0.00 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.13 3neh s VAL 236 CO 0.00 0.52 0.18 0.00 0.00 0.00 0.00 175.10 175.80 3neh s ALA 237 N 0.50 -0.45 0.31 5.51 0.00 -1.26 -4.74 121.76 121.63 3neh s ALA 237 Ca -0.09 0.05 0.03 0.00 0.00 0.00 0.00 51.96 51.94 3neh s ALA 237 Cb -0.16 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 3neh s ALA 237 CO 0.04 -0.21 0.09 -0.40 0.00 0.00 0.00 175.76 175.29 3neh n ASP 238 N 1.59 1.38 0.02 0.00 5.68 -1.26 -0.57 116.55 123.38 3neh n ASP 238 Ca -0.21 -2.61 0.02 0.00 -0.50 0.00 0.00 54.79 51.49 3neh n ASP 238 Cb 0.56 0.70 0.37 0.00 -1.14 0.00 0.00 41.12 41.61 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 1.46 1.15 -0.50 2.12 1.35 -1.76 -1.03 112.91 115.71 3neh h THR 239 Ca -0.24 -0.53 -0.00 0.00 -0.55 0.00 0.00 66.41 65.08 3neh h THR 239 Cb 0.90 0.80 -0.02 0.00 -1.73 0.00 0.00 68.15 68.10 3neh h THR 239 CO 0.39 0.19 0.30 -0.33 -0.25 0.00 0.00 175.52 175.82 3neh h GLU 240 N 0.48 0.67 -0.46 4.72 4.39 -1.97 -1.74 114.58 120.67 3neh h GLU 240 Ca 0.12 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.69 3neh h GLU 240 Cb 0.17 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3neh h GLU 240 CO -0.01 0.47 -0.01 -0.44 -1.16 0.00 0.00 179.01 177.86 3neh h ASP 241 N 0.68 0.73 -0.74 1.42 3.32 -1.59 -2.41 116.42 117.84 3neh h ASP 241 Ca 0.18 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 3neh h ASP 241 Cb -0.03 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 3neh h ASP 241 CO -0.03 0.81 0.29 0.58 -1.72 0.00 0.00 179.24 179.16 3neh h VAL 242 N 0.71 1.25 -0.02 -1.35 2.07 -1.15 -2.51 116.25 115.26 3neh h VAL 242 Ca 0.14 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 3neh h VAL 242 Cb 0.45 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3neh h VAL 242 CO 0.02 0.33 -0.04 0.40 0.02 0.00 0.00 177.57 178.30 3neh h ILE 243 N 1.08 1.04 -0.12 4.57 2.04 -0.89 -1.34 117.51 123.89 3neh h ILE 243 Ca 0.25 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 3neh h ILE 243 Cb 0.23 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3neh h ILE 243 CO -0.02 0.05 0.03 0.03 0.00 0.00 0.00 178.15 178.25 3neh h ARG 244 N 0.03 0.16 -0.11 2.37 3.08 -0.98 0.28 114.38 119.21 3neh h ARG 244 Ca 0.01 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 3neh h ARG 244 Cb 0.08 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.11 3neh h ARG 244 CO 0.01 0.15 -0.47 0.45 -1.07 0.00 0.00 179.97 179.03 3neh h HIS 245 N 0.16 0.70 -0.01 3.04 3.86 -1.31 -1.09 115.15 120.50 3neh h HIS 245 Ca 0.04 -0.30 0.03 0.00 -1.16 0.00 0.00 60.37 58.98 3neh h HIS 245 Cb 0.06 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.38 3neh h HIS 245 CO 0.00 1.07 -0.17 0.82 0.86 0.00 0.00 177.93 180.50 3neh h ILE 246 N 0.13 0.58 -0.53 2.45 2.04 -1.09 -0.93 117.51 120.15 3neh h ILE 246 Ca -0.03 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.94 3neh h ILE 246 Cb 1.11 0.58 -0.10 0.00 -0.74 0.00 0.00 36.82 37.67 3neh h ILE 246 CO 0.10 0.00 -0.15 0.44 0.00 0.00 0.00 178.15 178.54 3neh h ASP 247 N -0.28 -0.55 -0.35 1.72 3.32 -0.50 -1.30 116.42 118.49 3neh h ASP 247 Ca 0.06 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3neh h ASP 247 Cb 0.36 0.35 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 3neh h ASP 247 CO -0.17 -0.19 0.23 -0.74 -1.72 0.00 0.00 179.24 176.64 3neh h HIS 248 N -0.02 0.44 -0.51 4.55 2.76 -0.50 -0.12 115.15 121.74 3neh h HIS 248 Ca 0.25 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.36 3neh h HIS 248 Cb 0.41 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.20 3neh h HIS 248 CO -0.46 0.28 0.01 0.82 -1.30 0.00 0.00 177.93 177.28 3neh h ILE 249 N 0.47 1.25 -0.71 6.26 2.04 -0.84 -1.95 117.51 124.03 3neh h ILE 249 Ca 0.13 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 3neh h ILE 249 Cb -0.05 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3neh h ILE 249 CO -0.03 0.37 0.42 0.00 0.00 0.00 0.00 178.15 178.91 3neh h GLU 251 N 0.96 0.00 -0.27 0.00 5.08 -0.39 -0.60 114.58 119.36 3neh h GLU 251 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3neh h GLU 251 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3neh h GLU 251 CO -0.05 0.06 0.00 1.28 -1.00 0.00 0.00 179.01 179.31 3neh n LEU 252 N -4.29 1.54 0.00 1.33 4.77 -0.75 -4.88 117.00 114.72 3neh n LEU 252 Ca -0.03 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 3neh n LEU 252 Cb 0.14 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3neh n LEU 252 CO 0.33 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 3neh n GLY 253 N 0.98 0.85 1.56 -0.72 0.00 -0.24 -4.85 105.19 102.78 3neh n GLY 253 Ca 0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.27 4.21 0.37 -0.02 0.00 0.27 -4.67 105.19 103.08 3neh n GLY 254 Ca 0.00 -1.09 0.16 0.00 0.00 0.00 0.00 46.02 45.09 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 1.78 0.67 -1.61 0.99 5.85 -1.77 0.54 115.31 121.77 3neh h LEU 255 Ca 0.25 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3neh h LEU 255 Cb 2.04 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 43.05 3neh h LEU 255 CO 0.59 0.20 0.00 0.29 -0.34 0.00 0.00 178.44 179.17 3neh n LYS 256 N -4.74 2.03 -0.05 1.25 5.02 -1.26 -4.02 118.16 116.38 3neh n LYS 256 Ca 0.24 -1.58 0.04 0.00 -2.02 0.00 0.00 58.31 54.99 3neh n LYS 256 Cb 0.67 -1.39 0.07 0.00 -0.02 0.00 0.00 35.03 34.36 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 0.78 2.25 -4.61 4.39 4.13 0.18 -4.79 115.26 117.60 3neh n ASN 257 Ca 0.16 -2.42 -0.34 0.00 1.68 0.00 0.00 54.58 53.66 3neh n ASN 257 Cb 0.40 -0.18 -0.11 0.00 -1.54 0.00 0.00 39.78 38.35 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 -1.72 4.20 0.00 2.41 1.01 -1.19 -0.03 121.20 125.88 3neh s ILE 258 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.52 3neh s ILE 258 Cb 0.12 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.78 3neh s ILE 258 CO 0.02 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.12 3neh n GLY 259 N 2.83 4.29 3.41 6.18 0.00 -0.02 -4.14 105.19 117.74 3neh n GLY 259 Ca -0.18 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.01 2.68 -0.42 1.61 0.08 -1.25 -1.51 117.98 117.16 3neh s PHE 260 Ca 0.00 -0.38 0.05 0.00 0.12 0.00 0.00 56.93 56.72 3neh s PHE 260 Cb 0.00 -1.68 0.18 0.00 -0.57 0.00 0.00 43.02 40.95 3neh s PHE 260 CO 0.00 0.02 0.39 0.41 -0.10 0.00 0.00 175.22 175.94 3neh n GLY 261 N 2.73 1.92 0.31 4.36 0.00 0.65 -1.55 105.19 113.62 3neh n GLY 261 Ca -0.17 -1.15 0.05 0.00 0.00 0.00 0.00 46.02 44.74 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 5.44 0.67 -0.93 1.61 4.64 -1.67 -3.31 113.55 120.00 3neh h SER 262 Ca 0.23 0.06 -0.28 0.00 -0.47 0.00 0.00 61.79 61.33 3neh h SER 262 Cb 0.93 -0.07 -0.09 0.00 -0.31 0.00 0.00 62.40 62.86 3neh h SER 262 CO 0.34 0.36 -0.28 -0.67 -0.87 0.00 0.00 176.83 175.71 3neh n ASP 263 N -4.76 -4.59 -4.56 4.97 2.03 0.71 -1.18 116.55 109.18 3neh n ASP 263 Ca 0.15 0.27 -0.44 0.00 0.52 0.00 0.00 54.79 55.29 3neh n ASP 263 Cb 0.33 -3.40 -0.01 0.00 -0.72 0.00 0.00 41.12 37.32 3neh n ASP 263 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3neh n PHE 264 N -2.89 0.88 -0.83 -0.67 3.72 -1.24 -1.26 117.46 115.16 3neh n PHE 264 Ca -0.14 0.70 0.00 0.00 -0.05 0.00 0.00 57.45 57.96 3neh n PHE 264 Cb 0.49 -2.19 0.00 0.00 -0.94 0.00 0.00 39.48 36.84 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 1.21 -0.65 -0.28 4.37 8.00 -1.26 -1.00 116.55 126.94 3neh n ASP 265 Ca 0.11 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.64 3neh n ASP 265 Cb 0.33 -1.10 0.08 0.00 -0.02 0.00 0.00 41.12 40.41 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 -1.91 3.22 2.97 0.44 0.00 -0.39 -4.52 105.19 105.00 3neh n GLY 266 Ca 0.00 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.35 0.47 -0.65 -0.61 -4.36 -1.25 -5.05 121.20 108.40 3neh s ILE 267 Ca 0.14 -0.24 0.26 0.00 -0.26 0.00 0.00 60.65 60.54 3neh s ILE 267 Cb 0.10 -0.41 0.29 0.00 1.25 0.00 0.00 42.46 43.69 3neh s ILE 267 CO 0.06 0.14 1.76 1.55 0.24 0.00 0.00 174.94 178.69 3neh h PRO 268 N 6.07 0.00 -3.39 0.37 0.14 -1.96 -3.46 132.00 129.78 3neh h PRO 268 Ca -0.29 0.00 -0.03 0.00 0.14 0.00 0.00 66.00 65.82 3neh h PRO 268 Cb 1.19 0.00 -0.06 0.00 0.14 0.00 0.00 31.00 32.26 3neh h PRO 268 CO 0.50 0.00 0.05 0.16 0.14 0.00 0.00 178.00 178.85 3neh s ASP 269 N -4.63 -0.03 0.19 1.44 -4.77 -1.26 -5.18 116.67 102.43 3neh s ASP 269 Ca 0.09 -0.92 0.09 0.00 -3.30 0.00 0.00 52.55 48.52 3neh s ASP 269 Cb 0.11 0.68 -0.04 0.00 -1.09 0.00 0.00 42.92 42.58 3neh s ASP 269 CO 0.56 -1.31 -0.19 -1.00 0.70 0.00 0.00 175.17 173.93 3neh s HIS 270 N -3.62 1.95 0.08 2.11 3.76 -1.26 -4.53 115.29 113.78 3neh s HIS 270 Ca 0.18 -0.44 -0.31 0.00 -0.15 0.00 0.00 55.06 54.34 3neh s HIS 270 Cb -0.03 -0.95 -0.07 0.00 1.11 0.00 0.00 32.58 32.64 3neh s HIS 270 CO 0.10 0.41 1.39 0.08 -0.85 0.00 0.00 174.74 175.86 3neh s VAL 271 N -2.14 3.45 0.10 -0.90 1.01 -1.26 -4.75 120.40 115.91 3neh s VAL 271 Ca 0.19 1.00 -0.31 0.00 0.00 0.00 0.00 61.98 62.86 3neh s VAL 271 Cb -0.05 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.59 3neh s VAL 271 CO 0.08 0.06 1.72 -0.75 0.00 0.00 0.00 175.10 176.21 3neh s LYS 272 N 1.45 4.17 0.00 2.72 2.20 0.26 -0.71 119.74 129.83 3neh s LYS 272 Ca 0.64 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 58.69 3neh s LYS 272 Cb -0.35 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.41 3neh s LYS 272 CO 0.29 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 174.92 3neh n GLY 273 N 4.07 0.42 2.56 5.54 0.00 -1.26 -2.10 105.19 114.43 3neh n GLY 273 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 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 2.71 0.15 0.99 4.77 0.11 -4.73 117.00 121.00 3neh n LEU 274 Ca 0.00 -4.64 0.02 0.00 -0.03 0.00 0.00 56.01 51.36 3neh n LEU 274 Cb 0.00 0.08 0.16 0.00 -2.33 0.00 0.00 43.42 41.33 3neh n LEU 274 CO 0.00 1.99 0.52 -0.33 -1.33 0.00 0.00 177.39 178.24 3neh h GLU 275 N 2.87 0.00 -3.07 3.23 3.07 -1.91 -3.38 114.58 115.40 3neh h GLU 275 Ca 0.08 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 59.00 3neh h GLU 275 Cb 0.98 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.84 3neh h GLU 275 CO 0.65 0.52 0.20 -3.38 -1.40 0.00 0.00 179.01 175.60 3neh s HIS 276 N -3.27 -0.13 0.31 4.33 -3.43 -1.26 -4.88 115.29 106.96 3neh s HIS 276 Ca 0.01 -0.33 0.36 0.00 -0.80 0.00 0.00 55.06 54.30 3neh s HIS 276 Cb 0.10 0.66 1.68 0.00 -1.43 0.00 0.00 32.58 33.59 3neh s HIS 276 CO 0.73 -1.22 2.11 -0.24 -2.00 0.00 0.00 174.74 174.11 3neh h VAL 277 N 2.02 0.09 0.00 -5.38 3.04 -1.50 -1.37 116.25 113.16 3neh h VAL 277 Ca -0.20 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 3neh h VAL 277 Cb 1.25 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 31.88 3neh h VAL 277 CO 0.25 0.02 0.00 0.61 -1.01 0.00 0.00 177.57 177.44 3neh n GLY 278 N -0.38 -1.10 0.02 3.17 0.00 -1.24 -2.43 105.19 103.23 3neh n GLY 278 Ca -0.01 0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.85 0.41 -0.22 1.61 4.76 -0.52 -4.32 118.16 118.04 3neh n LYS 279 Ca 0.03 -0.04 0.02 0.00 -2.87 0.00 0.00 58.31 55.45 3neh n LYS 279 Cb 0.19 -1.50 0.13 0.00 -1.84 0.00 0.00 35.03 32.01 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 0.09 0.32 -0.42 2.13 0.05 -1.67 -2.20 116.97 115.27 3neh h TYR 280 Ca 0.00 0.04 -0.08 0.00 0.05 0.00 0.00 58.73 58.73 3neh h TYR 280 Cb 0.33 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 3neh h TYR 280 CO 0.00 0.02 -0.08 1.96 -1.05 0.00 0.00 178.16 179.01 3neh h GLN 281 N 0.34 0.72 -0.16 4.88 1.08 -1.82 -0.72 115.11 119.43 3neh h GLN 281 Ca 0.34 -0.22 -0.11 0.00 -1.45 0.00 0.00 58.65 57.22 3neh h GLN 281 Cb 0.50 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 3neh h GLN 281 CO -0.39 0.79 -0.37 0.66 -0.95 0.00 0.00 178.83 178.57 3neh h SER 282 N 0.66 0.35 -0.40 1.46 4.64 -1.73 -2.43 113.55 116.10 3neh h SER 282 Ca 0.12 -0.14 -0.07 0.00 -0.47 0.00 0.00 61.79 61.23 3neh h SER 282 Cb 0.53 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3neh h SER 282 CO 0.03 0.69 -0.03 0.15 -0.87 0.00 0.00 176.83 176.80 3neh h PHE 283 N 0.29 0.81 -0.45 4.77 3.57 -0.82 -2.32 116.94 122.79 3neh h PHE 283 Ca 0.03 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.35 3neh h PHE 283 Cb 0.79 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 3neh h PHE 283 CO 0.02 0.83 0.16 -0.07 -2.23 0.00 0.00 178.31 177.02 3neh h LEU 284 N 0.56 0.59 -0.81 0.59 3.38 -0.95 -2.05 115.31 116.61 3neh h LEU 284 Ca 0.11 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 3neh h LEU 284 Cb 0.52 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3neh h LEU 284 CO 0.03 0.55 -0.46 1.05 0.09 0.00 0.00 178.44 179.69 3neh h GLU 285 N 0.64 0.31 -0.61 1.13 4.11 -1.27 -2.21 114.58 116.69 3neh h GLU 285 Ca 0.15 -0.17 0.07 0.00 0.07 0.00 0.00 59.36 59.49 3neh h GLU 285 Cb 0.16 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 3neh h GLU 285 CO -0.01 0.71 0.40 1.15 0.07 0.00 0.00 179.01 181.33 3neh h THR 286 N 0.26 0.97 0.00 -1.06 2.02 -0.82 -1.46 112.91 112.81 3neh h THR 286 Ca 0.02 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 3neh h THR 286 Cb 0.91 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3neh h THR 286 CO 0.07 0.10 -0.13 -0.07 0.37 0.00 0.00 175.52 175.87 3neh h LEU 287 N 0.54 0.00 -2.25 2.58 4.07 -0.93 -3.15 115.31 116.16 3neh h LEU 287 Ca 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.22 3neh h LEU 287 Cb 0.35 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.09 3neh h LEU 287 CO -0.08 0.13 -0.05 -0.33 -1.08 0.00 0.00 178.44 177.03 3neh h GLU 288 N 0.00 0.00 0.00 1.13 5.08 -1.21 0.18 114.58 119.76 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 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3neh h GLU 288 CO 0.02 0.05 0.00 1.63 -1.00 0.00 0.00 179.01 179.71 3neh n LYS 289 N -3.74 0.19 -0.02 2.33 5.02 -1.19 -3.91 118.16 116.84 3neh n LYS 289 Ca -0.02 0.40 -0.02 0.00 -2.02 0.00 0.00 58.31 56.64 3neh n LYS 289 Cb 0.15 -1.85 -0.03 0.00 -0.02 0.00 0.00 35.03 33.28 3neh n LYS 289 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3neh n HIS 290 N -2.21 0.00 -4.12 2.13 8.25 0.50 -5.08 115.22 114.69 3neh n HIS 290 Ca 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.39 3neh n HIS 290 Cb 0.24 -0.19 -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 -2.09 0.70 0.76 4.41 2.02 -0.40 -5.15 117.35 117.60 3neh s TYR 291 Ca -0.04 -0.86 -0.11 0.00 -0.37 0.00 0.00 57.07 55.69 3neh s TYR 291 Cb 0.01 -0.44 0.05 0.00 -0.40 0.00 0.00 41.96 41.18 3neh s TYR 291 CO 0.14 -0.21 1.08 0.95 -1.57 0.00 0.00 175.55 175.95 3neh s THR 292 N -3.18 3.41 0.31 -0.71 -4.23 -1.26 -4.44 115.64 105.54 3neh s THR 292 Ca 0.05 0.46 0.01 0.00 -1.18 0.00 0.00 61.69 61.03 3neh s THR 292 Cb 0.02 -3.21 0.28 0.00 1.34 0.00 0.00 72.50 70.94 3neh s THR 292 CO -0.05 -0.60 1.92 0.50 -0.54 0.00 0.00 174.62 175.85 3neh h LYS 293 N -0.95 0.97 -0.68 3.99 3.64 -1.97 0.42 116.57 121.99 3neh h LYS 293 Ca -0.46 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 58.83 3neh h LYS 293 Cb 1.25 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 3neh h LYS 293 CO 0.59 0.64 0.30 1.49 -2.27 0.00 0.00 179.45 180.19 3neh h GLU 294 N 0.99 0.99 -0.40 1.90 4.81 -1.99 0.12 114.58 121.00 3neh h GLU 294 Ca 0.37 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.33 3neh h GLU 294 Cb 0.18 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3neh h GLU 294 CO -0.13 0.81 -0.16 0.93 -0.73 0.00 0.00 179.01 179.72 3neh h GLU 295 N 0.95 0.82 -0.67 1.92 5.08 -1.68 -2.16 114.58 118.84 3neh h GLU 295 Ca 0.23 -0.35 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 3neh h GLU 295 Cb 0.16 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 3neh h GLU 295 CO -0.02 0.98 0.09 0.82 -1.00 0.00 0.00 179.01 179.87 3neh h ILE 296 N 0.63 1.27 -0.27 3.13 2.04 -0.77 -1.63 117.51 121.91 3neh h ILE 296 Ca 0.09 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 3neh h ILE 296 Cb 0.71 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3neh h ILE 296 CO 0.05 0.40 0.12 -0.08 0.00 0.00 0.00 178.15 178.64 3neh h GLU 297 N 1.04 0.36 0.11 2.37 4.81 -0.88 0.99 114.58 123.39 3neh h GLU 297 Ca 0.20 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3neh h GLU 297 Cb 0.46 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 3neh h GLU 297 CO 0.02 0.29 -0.08 0.78 -0.73 0.00 0.00 179.01 179.29 3neh h GLY 298 N 0.48 -0.18 1.05 1.92 0.00 -0.64 -0.02 103.07 105.67 3neh h GLY 298 Ca 0.09 0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 3neh h GLY 298 CO -0.01 -0.08 0.32 0.74 0.00 0.00 0.00 176.54 177.50 3neh h PHE 299 N -0.19 1.22 -0.18 5.60 0.04 -0.64 -0.43 116.94 122.36 3neh h PHE 299 Ca -0.01 -0.09 -0.20 0.00 2.80 0.00 0.00 57.97 60.47 3neh h PHE 299 Cb 0.17 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 37.95 3neh h PHE 299 CO -0.09 0.92 -0.69 0.00 -0.60 0.00 0.00 178.31 177.86 3neh h ALA 300 N 1.17 0.45 0.00 2.45 0.00 -0.68 -3.34 119.26 119.31 3neh h ALA 300 Ca 0.27 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3neh h ALA 300 Cb 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3neh h ALA 300 CO -0.02 0.70 0.00 -1.13 0.00 0.00 0.00 179.25 178.80 3neh n SER 301 N -3.94 0.00 -0.05 0.00 3.41 -0.50 0.01 113.62 112.55 3neh n SER 301 Ca -0.06 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.47 3neh n SER 301 Cb 0.69 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.72 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 0.70 0.04 4.33 9.65 -0.98 -0.51 114.38 127.61 3neh h ARG 302 Ca 0.00 -0.33 -0.00 0.00 -1.10 0.00 0.00 59.98 58.54 3neh h ARG 302 Cb 0.00 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.57 3neh h ARG 302 CO 0.00 0.94 -0.02 -0.91 2.80 0.00 0.00 179.97 182.78 3neh h ASN 303 N 0.59 -0.05 -0.64 -3.80 2.35 -1.28 0.31 115.58 113.06 3neh h ASN 303 Ca 0.06 -0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.82 3neh h ASN 303 Cb 0.87 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 39.21 3neh h ASN 303 CO 0.08 -0.01 0.40 0.15 -1.65 0.00 0.00 177.43 176.39 3neh h PHE 304 N -0.08 0.75 -0.08 1.19 3.57 -1.70 -1.98 116.94 118.61 3neh h PHE 304 Ca -0.01 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 3neh h PHE 304 Cb 0.07 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 3neh h PHE 304 CO -0.07 0.43 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.22 3neh h LEU 305 N 0.79 0.12 0.00 0.59 3.38 -0.67 -0.19 115.31 119.33 3neh h LEU 305 Ca 0.26 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3neh h LEU 305 Cb 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3neh h LEU 305 CO -0.10 0.29 0.00 0.59 0.09 0.00 0.00 178.44 179.31 3neh n ASN 306 N -4.29 0.00 -0.53 -0.43 3.02 0.06 -3.59 115.26 109.50 3neh n ASN 306 Ca -0.01 0.48 0.07 0.00 -0.03 0.00 0.00 54.58 55.08 3neh n ASN 306 Cb 0.26 -0.49 0.19 0.00 -0.61 0.00 0.00 39.78 39.12 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 -1.49 0.37 -2.04 3.10 8.25 -0.09 -5.04 115.22 118.27 3neh n HIS 307 Ca 0.06 -1.18 -0.40 0.00 -0.26 0.00 0.00 57.72 55.94 3neh n HIS 307 Cb 0.27 -0.26 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 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 -3.01 4.36 0.23 2.41 1.43 -1.18 -4.91 118.68 118.01 3neh s LEU 308 Ca 0.37 2.75 -0.31 0.00 -1.03 0.00 0.00 54.13 55.91 3neh s LEU 308 Cb 0.33 -3.71 -0.12 0.00 0.03 0.00 0.00 46.19 42.73 3neh s LEU 308 CO 0.02 -0.67 1.68 -2.84 0.23 0.00 0.00 176.35 174.76 3neh s PRO 309 N -1.95 4.13 0.00 1.29 0.02 -1.26 -5.14 135.00 132.09 3neh s PRO 309 Ca 0.51 2.58 0.00 0.00 0.02 0.00 0.00 61.00 64.12 3neh s PRO 309 Cb -0.41 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.05 3neh s PRO 309 CO 0.54 -0.71 0.05 1.63 -0.33 0.00 0.00 177.00 178.17