#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1np8 h GLU 12 N 0.00 0.00 -0.06 -1.46 4.57 -2.06 -3.25 114.58 112.32 1np8 h GLU 12 Ca 0.00 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1np8 h GLU 12 Cb 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1np8 h GLU 12 CO 0.00 0.49 0.25 1.49 -1.18 0.00 0.00 179.01 180.06 1np8 h GLU 13 N -1.00 0.00 0.00 1.92 4.81 -2.05 -1.16 114.58 117.10 1np8 h GLU 13 Ca -0.15 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.04 1np8 h GLU 13 Cb 0.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1np8 h GLU 13 CO -0.09 0.00 -0.17 1.49 -0.73 0.00 0.00 179.01 179.51 1np8 h GLU 14 N 0.00 0.11 -0.58 1.92 4.81 -2.00 -2.01 114.58 116.83 1np8 h GLU 14 Ca 0.03 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1np8 h GLU 14 Cb 0.52 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 1np8 h GLU 14 CO -0.00 0.89 0.26 0.00 -0.73 0.00 0.00 179.01 179.42 1np8 h ARG 15 N -0.61 0.82 0.00 1.92 3.08 -1.27 -2.42 114.38 115.90 1np8 h ARG 15 Ca -0.02 -0.11 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 1np8 h ARG 15 Cb 0.94 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1np8 h ARG 15 CO 0.03 0.65 -0.37 -0.56 -1.07 0.00 0.00 179.97 178.65 1np8 h GLN 16 N 0.82 0.00 -0.42 0.04 3.07 -1.48 -2.91 115.11 114.23 1np8 h GLN 16 Ca 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.89 1np8 h GLN 16 Cb 0.12 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.66 1np8 h GLN 16 CO -0.02 0.33 0.08 0.35 0.09 0.00 0.00 178.83 179.66 1np8 h PHE 17 N 0.00 0.73 -0.65 0.06 3.57 -0.89 -0.06 116.94 119.70 1np8 h PHE 17 Ca -0.01 -0.10 0.06 0.00 3.53 0.00 0.00 57.97 61.46 1np8 h PHE 17 Cb 1.26 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.75 1np8 h PHE 17 CO 0.00 0.70 0.35 -0.09 -2.23 0.00 0.00 178.31 177.04 1np8 h ARG 18 N 0.55 0.64 -0.67 1.11 9.65 -1.42 0.94 114.38 125.17 1np8 h ARG 18 Ca 0.13 -0.04 -0.08 0.00 -1.10 0.00 0.00 59.98 58.90 1np8 h ARG 18 Cb 0.35 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.76 1np8 h ARG 18 CO 0.01 0.42 0.13 0.87 2.80 0.00 0.00 179.97 184.19 1np8 h LYS 19 N 0.66 1.10 -0.14 0.20 1.57 -1.28 -1.84 116.57 116.82 1np8 h LYS 19 Ca 0.29 -0.28 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1np8 h LYS 19 Cb 0.19 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1np8 h LYS 19 CO -0.18 0.99 -0.01 1.25 -0.57 0.00 0.00 179.45 180.93 1np8 h LEU 20 N 1.03 -0.07 0.42 2.94 6.46 0.45 -1.58 115.31 124.96 1np8 h LEU 20 Ca 0.21 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.98 1np8 h LEU 20 Cb 0.42 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1np8 h LEU 20 CO 0.01 -0.01 -0.20 0.15 -0.62 0.00 0.00 178.44 177.76 1np8 h PHE 21 N 0.04 -0.52 -1.00 1.25 3.57 -0.70 -0.65 116.94 118.93 1np8 h PHE 21 Ca 0.07 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.63 1np8 h PHE 21 Cb 0.08 0.17 -0.07 0.00 2.79 0.00 0.00 35.95 38.93 1np8 h PHE 21 CO -0.15 -0.30 0.64 0.28 -2.23 0.00 0.00 178.31 176.55 1np8 h VAL 22 N -0.61 1.05 -0.20 1.41 2.07 -1.30 0.18 116.25 118.86 1np8 h VAL 22 Ca -0.06 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 1np8 h VAL 22 Cb 0.46 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1np8 h VAL 22 CO 0.09 0.21 -0.01 -0.61 0.02 0.00 0.00 177.57 177.27 1np8 h GLN 23 N 1.13 0.36 -0.32 1.57 5.75 -1.15 -3.04 115.11 119.41 1np8 h GLN 23 Ca 0.44 -0.12 -0.14 0.00 -0.15 0.00 0.00 58.65 58.69 1np8 h GLN 23 Cb 0.23 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 1np8 h GLN 23 CO -0.19 0.58 -0.35 1.25 -2.65 0.00 0.00 178.83 177.46 1np8 h LEU 24 N 0.10 0.75 -1.70 -2.39 5.85 -0.68 -3.14 115.31 114.11 1np8 h LEU 24 Ca 0.05 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 1np8 h LEU 24 Cb 0.42 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1np8 h LEU 24 CO 0.01 1.03 -0.11 0.00 -0.34 0.00 0.00 178.44 179.04 1np8 h ALA 25 N 1.01 1.11 -0.85 1.25 0.00 -0.65 -3.47 119.26 117.66 1np8 h ALA 25 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1np8 h ALA 25 Cb 0.88 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1np8 h ALA 25 CO 0.08 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.87 1np8 n GLY 26 N -0.32 0.79 0.36 0.00 0.00 -1.15 -3.71 105.19 101.16 1np8 n GLY 26 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1np8 n GLY 26 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1np8 h ASP 27 N 7.43 1.03 0.23 1.61 3.45 -1.93 -2.69 116.42 125.54 1np8 h ASP 27 Ca 0.00 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1np8 h ASP 27 Cb 0.00 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 38.54 1np8 h ASP 27 CO 0.00 0.69 0.00 -0.90 -1.57 0.00 0.00 179.24 177.46 1np8 n ASP 28 N -4.49 0.00 -0.88 6.45 5.68 -1.26 -4.91 116.55 117.15 1np8 n ASP 28 Ca 0.13 -0.62 -0.11 0.00 -0.50 0.00 0.00 54.79 53.69 1np8 n ASP 28 Cb 0.12 -0.12 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 1np8 n ASP 28 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1np8 n MET 29 N -1.12 -1.28 -4.04 0.11 2.81 -1.01 -4.97 117.12 107.62 1np8 n MET 29 Ca 0.19 0.87 -0.09 0.00 -1.81 0.00 0.00 57.70 56.86 1np8 n MET 29 Cb 0.16 -5.07 -0.11 0.00 -0.71 0.00 0.00 33.22 27.50 1np8 n MET 29 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1np8 s GLU 30 N -2.84 0.48 -0.34 0.03 2.02 -1.25 -4.71 118.70 112.08 1np8 s GLU 30 Ca 0.00 -0.89 -0.22 0.00 0.02 0.00 0.00 54.97 53.88 1np8 s GLU 30 Cb 0.00 0.06 0.00 0.00 0.10 0.00 0.00 34.13 34.29 1np8 s GLU 30 CO 0.00 -0.05 0.70 0.08 0.02 0.00 0.00 175.26 176.00 1np8 s VAL 31 N -2.44 4.84 0.78 2.63 1.01 0.93 -4.59 120.40 123.55 1np8 s VAL 31 Ca -0.05 0.79 -0.09 0.00 0.00 0.00 0.00 61.98 62.63 1np8 s VAL 31 Cb -0.03 -4.11 0.10 0.00 0.00 0.00 0.00 36.38 32.34 1np8 s VAL 31 CO -0.04 -0.31 1.12 -0.94 0.00 0.00 0.00 175.10 174.92 1np8 s SER 32 N 1.76 4.37 0.32 3.32 1.04 -1.26 -1.49 113.70 121.75 1np8 s SER 32 Ca 0.28 0.44 -0.00 0.00 0.48 0.00 0.00 55.95 57.15 1np8 s SER 32 Cb -0.14 -0.91 0.52 0.00 0.10 0.00 0.00 66.02 65.59 1np8 s SER 32 CO 0.15 -1.92 1.97 0.00 0.98 0.00 0.00 173.24 174.42 1np8 h ALA 33 N -0.92 1.45 -0.23 5.32 0.00 -1.89 0.83 119.26 123.82 1np8 h ALA 33 Ca -0.44 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1np8 h ALA 33 Cb 1.30 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1np8 h ALA 33 CO 0.56 0.50 -0.06 1.15 0.00 0.00 0.00 179.25 181.40 1np8 h THR 34 N 0.98 1.28 -0.40 0.00 2.02 -1.93 -0.73 112.91 114.14 1np8 h THR 34 Ca 0.26 -1.05 -0.06 0.00 0.77 0.00 0.00 66.41 66.33 1np8 h THR 34 Cb -0.08 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1np8 h THR 34 CO -0.05 0.33 0.01 -0.33 0.37 0.00 0.00 175.52 175.84 1np8 h GLU 35 N 0.18 0.64 -0.45 6.66 5.08 -1.78 -1.59 114.58 123.32 1np8 h GLU 35 Ca 0.06 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1np8 h GLU 35 Cb 0.52 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1np8 h GLU 35 CO 0.02 0.65 0.08 1.25 -1.00 0.00 0.00 179.01 180.01 1np8 h LEU 36 N 0.61 0.72 -0.66 1.33 5.85 -0.73 -1.98 115.31 120.45 1np8 h LEU 36 Ca 0.13 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1np8 h LEU 36 Cb 0.37 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 1np8 h LEU 36 CO 0.01 0.79 0.40 -0.03 -0.34 0.00 0.00 178.44 179.28 1np8 h MET 37 N 0.62 0.75 -0.27 1.25 4.05 -0.68 -0.65 114.93 119.98 1np8 h MET 37 Ca 0.14 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.49 1np8 h MET 37 Cb 0.38 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 1np8 h MET 37 CO 0.01 0.49 0.09 -0.91 0.23 0.00 0.00 176.91 176.82 1np8 h ASN 38 N 0.77 0.40 -0.13 1.39 2.35 -0.97 0.14 115.58 119.53 1np8 h ASN 38 Ca 0.28 -0.20 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 1np8 h ASN 38 Cb 0.07 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1np8 h ASN 38 CO -0.13 0.50 -0.22 -0.29 -1.65 0.00 0.00 177.43 175.63 1np8 h ILE 39 N 0.28 1.26 -0.18 2.81 6.09 -1.15 -1.05 117.51 125.57 1np8 h ILE 39 Ca 0.09 -1.26 -0.16 0.00 -1.37 0.00 0.00 64.86 62.17 1np8 h ILE 39 Cb 0.24 1.28 -0.01 0.00 0.47 0.00 0.00 36.82 38.80 1np8 h ILE 39 CO -0.00 0.41 -0.54 -0.07 -3.07 0.00 0.00 178.15 174.87 1np8 h LEU 40 N 0.50 0.59 -1.13 2.19 3.38 -0.91 -2.32 115.31 117.61 1np8 h LEU 40 Ca 0.08 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 1np8 h LEU 40 Cb 0.66 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1np8 h LEU 40 CO 0.05 1.02 -0.32 0.78 0.09 0.00 0.00 178.44 180.06 1np8 h ASN 41 N 0.41 0.00 0.18 -0.43 2.35 -0.40 -2.16 115.58 115.54 1np8 h ASN 41 Ca 0.01 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 1np8 h ASN 41 Cb 1.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 1np8 h ASN 41 CO 0.10 0.32 -0.33 0.50 -1.65 0.00 0.00 177.43 176.37 1np8 h LYS 42 N 0.00 0.23 -0.24 0.81 3.64 -0.69 -1.11 116.57 119.21 1np8 h LYS 42 Ca -0.00 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1np8 h LYS 42 Cb 0.78 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 1np8 h LYS 42 CO 0.04 0.54 0.06 0.28 -2.27 0.00 0.00 179.45 178.11 1np8 h VAL 43 N 0.20 1.21 0.00 2.00 2.07 -0.88 -2.49 116.25 118.36 1np8 h VAL 43 Ca 0.03 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 1np8 h VAL 43 Cb 0.69 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1np8 h VAL 43 CO 0.05 0.21 -0.21 -0.37 0.02 0.00 0.00 177.57 177.27 1np8 h VAL 44 N 0.21 0.51 -0.67 2.57 -1.51 -1.35 -2.08 116.25 113.93 1np8 h VAL 44 Ca 0.07 -1.11 -0.07 0.00 -1.23 0.00 0.00 66.70 64.36 1np8 h VAL 44 Cb 0.27 1.78 -0.03 0.00 -2.13 0.00 0.00 31.29 31.17 1np8 h VAL 44 CO -0.00 0.21 0.14 0.74 -1.23 0.00 0.00 177.57 177.43 1np8 h THR 45 N 0.00 1.26 0.00 7.19 2.02 -0.99 -2.97 112.91 119.42 1np8 h THR 45 Ca -0.00 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.19 1np8 h THR 45 Cb 0.76 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1np8 h THR 45 CO 0.03 0.37 -0.25 0.54 0.37 0.00 0.00 175.52 176.58 1np8 n ARG 46 N -4.23 0.23 -3.76 6.66 1.74 -0.95 -4.57 116.66 111.78 1np8 n ARG 46 Ca 0.05 0.13 -0.29 0.00 -0.77 0.00 0.00 57.85 56.97 1np8 n ARG 46 Cb 0.27 -1.71 -0.12 0.00 -1.02 0.00 0.00 32.46 29.87 1np8 n ARG 46 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1np8 s HIS 47 N -3.11 2.48 -1.37 -1.55 3.76 -0.82 -4.93 115.29 109.74 1np8 s HIS 47 Ca 0.09 -2.78 0.10 0.00 -0.15 0.00 0.00 55.06 52.33 1np8 s HIS 47 Cb 0.14 -2.12 0.51 0.00 1.11 0.00 0.00 32.58 32.21 1np8 s HIS 47 CO 0.64 -0.72 1.23 -0.35 -0.85 0.00 0.00 174.74 174.69 1np8 n PRO 48 N 2.96 0.13 0.00 8.40 -0.04 -1.26 -1.70 135.00 143.48 1np8 n PRO 48 Ca 0.14 0.21 0.14 0.00 -0.04 0.00 0.00 63.50 63.95 1np8 n PRO 48 Cb 0.36 -1.50 0.80 0.00 -0.04 0.00 0.00 33.50 33.12 1np8 n PRO 48 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1np8 n ASP 49 N -1.31 0.00 -4.40 3.54 5.75 -1.26 -4.66 116.55 114.21 1np8 n ASP 49 Ca 0.05 -0.62 -0.38 0.00 -0.01 0.00 0.00 54.79 53.83 1np8 n ASP 49 Cb 0.09 -0.10 -0.12 0.00 -1.03 0.00 0.00 41.12 39.95 1np8 n ASP 49 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1np8 s LEU 50 N -2.21 3.94 0.27 -2.12 1.43 -0.69 -4.43 118.68 114.88 1np8 s LEU 50 Ca 0.37 -0.58 -0.29 0.00 -1.03 0.00 0.00 54.13 52.60 1np8 s LEU 50 Cb 0.19 -1.94 -0.09 0.00 0.03 0.00 0.00 46.19 44.38 1np8 s LEU 50 CO 0.37 -0.18 1.18 -0.75 0.23 0.00 0.00 176.35 177.20 1np8 s LYS 51 N 1.56 4.53 0.08 1.70 2.20 -0.33 -4.91 119.74 124.58 1np8 s LYS 51 Ca 0.04 1.93 -0.26 0.00 -0.36 0.00 0.00 55.97 57.32 1np8 s LYS 51 Cb -0.17 -3.17 0.08 0.00 -1.51 0.00 0.00 37.83 33.07 1np8 s LYS 51 CO 0.04 0.04 0.80 -0.08 -0.36 0.00 0.00 175.35 175.79 1np8 s THR 52 N -0.89 0.00 -0.19 3.43 -1.32 -1.26 -0.81 115.64 114.59 1np8 s THR 52 Ca 0.48 -0.14 0.12 0.00 -1.21 0.00 0.00 61.69 60.94 1np8 s THR 52 Cb -0.34 -1.18 0.42 0.00 -1.51 0.00 0.00 72.50 69.89 1np8 s THR 52 CO 0.43 0.00 1.21 -0.90 -2.21 0.00 0.00 174.62 173.15 1np8 n ASP 53 N -0.32 1.78 -0.39 8.08 5.75 -1.26 -5.04 116.55 125.14 1np8 n ASP 53 Ca -0.11 -3.71 0.05 0.00 -0.01 0.00 0.00 54.79 51.01 1np8 n ASP 53 Cb 0.62 -0.50 -0.02 0.00 -1.03 0.00 0.00 41.12 40.19 1np8 n ASP 53 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1np8 n GLY 54 N -0.94 -2.24 3.45 6.12 0.00 -1.26 -4.77 105.19 105.55 1np8 n GLY 54 Ca 0.19 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 1np8 n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1np8 s PHE 55 N -2.50 3.20 0.69 1.61 0.40 -1.26 -4.85 117.98 115.27 1np8 s PHE 55 Ca 0.00 -0.56 -0.13 0.00 -0.60 0.00 0.00 56.93 55.64 1np8 s PHE 55 Cb 0.00 -2.90 0.01 0.00 0.51 0.00 0.00 43.02 40.64 1np8 s PHE 55 CO 0.00 -0.71 1.08 0.20 0.70 0.00 0.00 175.22 176.49 1np8 s GLY 56 N 1.99 1.90 0.33 4.36 0.00 -1.26 -4.89 107.32 109.74 1np8 s GLY 56 Ca 0.08 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.15 1np8 s GLY 56 CO 0.11 0.67 1.97 1.19 0.00 0.00 0.00 173.10 177.04 1np8 h ILE 57 N -0.43 1.19 0.01 0.90 2.10 -1.97 -2.34 117.51 116.97 1np8 h ILE 57 Ca -0.45 -0.40 0.02 0.00 1.08 0.00 0.00 64.86 65.11 1np8 h ILE 57 Cb 1.23 0.24 -0.03 0.00 -1.09 0.00 0.00 36.82 37.17 1np8 h ILE 57 CO 0.54 0.19 -0.13 -0.78 -1.08 0.00 0.00 178.15 176.90 1np8 h ASP 58 N 0.92 -0.36 -0.39 2.19 3.58 -1.98 0.36 116.42 120.73 1np8 h ASP 58 Ca 0.24 0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.65 1np8 h ASP 58 Cb -0.05 0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 1np8 h ASP 58 CO -0.05 -0.18 -0.12 0.00 -2.88 0.00 0.00 179.24 176.02 1np8 h THR 59 N -0.22 1.26 0.00 2.25 1.03 -1.89 -2.56 112.91 112.78 1np8 h THR 59 Ca 0.04 -1.21 -0.05 0.00 -0.01 0.00 0.00 66.41 65.18 1np8 h THR 59 Cb 0.27 1.03 -0.01 0.00 -1.07 0.00 0.00 68.15 68.37 1np8 h THR 59 CO -0.12 0.42 -0.24 0.00 -0.01 0.00 0.00 175.52 175.57 1np8 h ARG 61 N 0.00 0.55 -0.02 0.00 3.08 -0.62 -1.66 114.38 115.70 1np8 h ARG 61 Ca -0.00 -0.47 -0.16 0.00 0.07 0.00 0.00 59.98 59.43 1np8 h ARG 61 Cb 0.58 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1np8 h ARG 61 CO 0.03 1.09 -0.70 0.66 -1.07 0.00 0.00 179.97 179.98 1np8 h SER 62 N 0.37 0.16 -0.31 7.04 4.64 -1.08 -0.67 113.55 123.70 1np8 h SER 62 Ca -0.05 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.14 1np8 h SER 62 Cb 1.38 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 1np8 h SER 62 CO 0.14 0.80 0.07 0.24 -0.87 0.00 0.00 176.83 177.22 1np8 h MET 63 N 0.09 0.49 -0.60 4.77 2.86 -1.01 -1.82 114.93 119.71 1np8 h MET 63 Ca -0.02 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1np8 h MET 63 Cb 1.24 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.81 1np8 h MET 63 CO 0.10 0.57 0.25 0.28 1.06 0.00 0.00 176.91 179.16 1np8 h VAL 64 N 0.34 1.23 -0.64 -2.22 2.07 -1.22 -2.24 116.25 113.56 1np8 h VAL 64 Ca 0.10 -0.71 0.04 0.00 0.82 0.00 0.00 66.70 66.95 1np8 h VAL 64 Cb 0.30 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1np8 h VAL 64 CO 0.00 0.28 0.38 0.00 0.02 0.00 0.00 177.57 178.24 1np8 h ALA 65 N 1.09 0.85 0.00 1.67 0.00 -0.90 0.48 119.26 122.46 1np8 h ALA 65 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1np8 h ALA 65 Cb 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1np8 h ALA 65 CO -0.02 0.09 -0.20 1.33 0.00 0.00 0.00 179.25 180.45 1np8 n VAL 66 N -4.75 0.07 0.60 0.00 0.24 -0.70 -3.73 118.33 110.05 1np8 n VAL 66 Ca 0.07 -0.04 0.09 0.00 -2.04 0.00 0.00 64.34 62.42 1np8 n VAL 66 Cb 0.13 -0.24 -0.11 0.00 -1.47 0.00 0.00 33.84 32.15 1np8 n VAL 66 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1np8 n MET 67 N -1.60 0.91 -1.45 7.34 2.81 -0.85 -4.70 117.12 119.58 1np8 n MET 67 Ca 0.06 -0.05 -0.39 0.00 -1.81 0.00 0.00 57.70 55.51 1np8 n MET 67 Cb 0.35 -1.38 -0.02 0.00 -0.71 0.00 0.00 33.22 31.47 1np8 n MET 67 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1np8 n ASP 68 N -1.63 5.77 -0.11 7.83 2.03 0.12 -4.77 116.55 125.79 1np8 n ASP 68 Ca 0.01 -2.68 0.26 0.00 0.52 0.00 0.00 54.79 52.90 1np8 n ASP 68 Cb 0.34 -1.54 0.71 0.00 -0.72 0.00 0.00 41.12 39.92 1np8 n ASP 68 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1np8 h SER 69 N 5.78 0.00 -0.71 1.67 0.02 -1.87 -2.11 113.55 116.32 1np8 h SER 69 Ca 0.67 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.62 1np8 h SER 69 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1np8 h SER 69 CO 1.82 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 176.61 1np8 n ASP 70 N -4.27 4.15 -2.88 3.07 5.68 -1.26 -4.99 116.55 116.05 1np8 n ASP 70 Ca 0.15 -2.11 -0.21 0.00 -0.50 0.00 0.00 54.79 52.12 1np8 n ASP 70 Cb 0.84 -0.51 0.02 0.00 -1.14 0.00 0.00 41.12 40.32 1np8 n ASP 70 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1np8 n THR 71 N 1.50 -1.50 0.69 2.12 -1.04 -0.80 -4.88 114.28 110.38 1np8 n THR 71 Ca 0.25 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.38 1np8 n THR 71 Cb 0.69 -2.95 0.33 0.00 -1.82 0.00 0.00 70.33 66.57 1np8 n THR 71 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1np8 n THR 72 N -4.21 0.37 -0.05 12.58 -2.24 -1.26 -4.91 114.28 114.57 1np8 n THR 72 Ca -0.13 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1np8 n THR 72 Cb 0.62 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1np8 n THR 72 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1np8 n GLY 73 N 1.36 0.77 3.36 3.38 0.00 -1.26 -5.01 105.19 107.80 1np8 n GLY 73 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 1np8 n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1np8 s LYS 74 N -0.73 1.64 -0.32 1.61 1.02 -1.26 -4.86 119.74 116.83 1np8 s LYS 74 Ca 0.00 -1.74 -0.14 0.00 0.02 0.00 0.00 55.97 54.11 1np8 s LYS 74 Cb 0.00 0.37 -0.02 0.00 -0.52 0.00 0.00 37.83 37.65 1np8 s LYS 74 CO 0.00 -0.63 0.31 -0.51 -0.92 0.00 0.00 175.35 173.60 1np8 s LEU 75 N -3.23 4.35 0.00 3.17 1.02 -0.56 -4.80 118.68 118.63 1np8 s LEU 75 Ca 0.35 -0.19 -0.11 0.00 0.02 0.00 0.00 54.13 54.20 1np8 s LEU 75 Cb 0.02 -2.27 0.19 0.00 0.02 0.00 0.00 46.19 44.16 1np8 s LEU 75 CO 0.19 -0.25 1.15 0.61 0.02 0.00 0.00 176.35 178.07 1np8 n GLY 76 N 4.98 -0.83 0.42 -3.19 0.00 -1.26 -0.05 105.19 105.26 1np8 n GLY 76 Ca -0.11 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 1np8 n GLY 76 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1np8 h PHE 77 N -1.38 -1.31 -0.48 1.61 3.57 -1.99 0.14 116.94 117.10 1np8 h PHE 77 Ca -0.37 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.20 1np8 h PHE 77 Cb 1.12 0.60 -0.03 0.00 2.79 0.00 0.00 35.95 40.44 1np8 h PHE 77 CO 0.00 -0.49 0.30 0.93 -2.23 0.00 0.00 178.31 176.82 1np8 h GLU 78 N -0.48 0.59 0.07 1.11 4.39 -1.99 0.24 114.58 118.51 1np8 h GLU 78 Ca 0.08 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 1np8 h GLU 78 Cb 0.63 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1np8 h GLU 78 CO -0.44 0.39 -0.03 0.93 -1.16 0.00 0.00 179.01 178.69 1np8 h GLU 79 N 0.61 -0.09 -0.68 2.33 5.08 -1.82 -1.97 114.58 118.04 1np8 h GLU 79 Ca 0.19 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1np8 h GLU 79 Cb -0.02 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1np8 h GLU 79 CO -0.07 -0.00 0.25 0.35 -1.00 0.00 0.00 179.01 178.54 1np8 h PHE 80 N -0.15 1.04 -0.31 4.33 3.57 -0.53 -1.96 116.94 122.93 1np8 h PHE 80 Ca -0.01 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.43 1np8 h PHE 80 Cb 0.12 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 1np8 h PHE 80 CO -0.06 0.81 0.16 -0.22 -2.23 0.00 0.00 178.31 176.78 1np8 h LYS 81 N 1.00 0.32 -0.07 1.11 3.64 -0.29 0.25 116.57 122.54 1np8 h LYS 81 Ca 0.23 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1np8 h LYS 81 Cb 0.23 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1np8 h LYS 81 CO -0.01 0.21 0.04 -0.92 -2.27 0.00 0.00 179.45 176.50 1np8 h TYR 82 N 0.33 0.09 -0.10 1.91 3.20 -1.15 0.03 116.97 121.28 1np8 h TYR 82 Ca 0.13 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 1np8 h TYR 82 Cb 0.03 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 1np8 h TYR 82 CO -0.09 0.09 0.05 1.25 -1.64 0.00 0.00 178.16 177.82 1np8 h LEU 83 N 0.06 0.14 -0.56 2.82 5.85 -1.12 -1.90 115.31 120.60 1np8 h LEU 83 Ca 0.02 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1np8 h LEU 83 Cb 0.03 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1np8 h LEU 83 CO -0.00 0.23 0.35 -0.25 -0.34 0.00 0.00 178.44 178.42 1np8 h TRP 84 N 0.03 0.73 -0.63 1.25 2.91 -0.38 0.63 115.95 120.49 1np8 h TRP 84 Ca 0.03 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.04 1np8 h TRP 84 Cb 0.13 -0.24 -0.03 0.00 -0.51 0.00 0.00 29.16 28.51 1np8 h TRP 84 CO -0.03 0.49 0.31 -0.91 -1.03 0.00 0.00 178.44 177.28 1np8 h ASN 85 N 0.76 0.80 -0.21 2.65 2.35 -0.92 -1.50 115.58 119.50 1np8 h ASN 85 Ca 0.20 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1np8 h ASN 85 Cb -0.03 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1np8 h ASN 85 CO -0.04 0.68 0.05 0.78 -1.65 0.00 0.00 177.43 177.25 1np8 h ASN 86 N 0.89 0.33 -0.29 5.81 2.35 -0.49 -1.86 115.58 122.32 1np8 h ASN 86 Ca 0.22 -0.24 0.06 0.00 -0.55 0.00 0.00 56.30 55.79 1np8 h ASN 86 Cb 0.08 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.31 1np8 h ASN 86 CO -0.03 0.48 -0.05 0.40 -1.65 0.00 0.00 177.43 176.58 1np8 h ILE 87 N 0.16 0.73 -0.68 2.81 1.08 -0.40 0.38 117.51 121.58 1np8 h ILE 87 Ca 0.07 -0.01 -0.02 0.00 -0.39 0.00 0.00 64.86 64.51 1np8 h ILE 87 Cb 0.29 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.71 1np8 h ILE 87 CO 0.00 0.00 0.36 0.11 -0.69 0.00 0.00 178.15 177.94 1np8 h LYS 88 N 0.02 0.95 -0.27 2.37 1.79 -1.26 0.16 116.57 120.33 1np8 h LYS 88 Ca 0.14 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1np8 h LYS 88 Cb 0.21 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 1np8 h LYS 88 CO -0.28 0.72 0.13 -0.22 -1.08 0.00 0.00 179.45 178.71 1np8 h LYS 89 N 0.93 0.39 -0.05 3.15 3.64 -0.61 -1.96 116.57 122.06 1np8 h LYS 89 Ca 0.24 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1np8 h LYS 89 Cb 0.05 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1np8 h LYS 89 CO -0.04 0.38 -0.14 -1.49 -2.27 0.00 0.00 179.45 175.90 1np8 h TRP 90 N 0.30 0.07 -0.31 1.91 6.55 0.14 -1.76 115.95 122.85 1np8 h TRP 90 Ca 0.09 -0.01 -0.13 0.00 0.95 0.00 0.00 58.89 59.80 1np8 h TRP 90 Cb 0.12 -0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 28.39 1np8 h TRP 90 CO -0.02 0.20 -0.34 0.37 -1.05 0.00 0.00 178.44 177.60 1np8 h GLN 91 N 0.07 0.68 -0.57 0.49 4.15 -0.26 0.15 115.11 119.82 1np8 h GLN 91 Ca 0.01 -0.32 -0.10 0.00 0.77 0.00 0.00 58.65 59.01 1np8 h GLN 91 Cb 0.28 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 1np8 h GLN 91 CO 0.02 0.92 -0.03 0.78 -1.93 0.00 0.00 178.83 178.59 1np8 h GLY 92 N 0.98 1.11 0.90 2.39 0.00 -0.70 -2.34 103.07 105.41 1np8 h GLY 92 Ca 0.06 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 46.53 1np8 h GLY 92 CO 0.07 0.77 0.10 -2.22 0.00 0.00 0.00 176.54 175.27 1np8 h ILE 93 N 0.92 1.17 -0.30 2.60 2.04 -1.08 -0.69 117.51 122.17 1np8 h ILE 93 Ca 0.16 -0.52 0.07 0.00 1.00 0.00 0.00 64.86 65.57 1np8 h ILE 93 Cb 0.59 1.05 -0.08 0.00 -0.74 0.00 0.00 36.82 37.65 1np8 h ILE 93 CO 0.04 0.17 -0.22 0.22 0.00 0.00 0.00 178.15 178.36 1np8 h TYR 94 N 0.25 -0.58 -0.22 1.37 3.20 -0.55 0.12 116.97 120.55 1np8 h TYR 94 Ca 0.08 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1np8 h TYR 94 Cb 0.18 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1np8 h TYR 94 CO -0.01 -0.30 0.10 -0.22 -1.64 0.00 0.00 178.16 176.09 1np8 h LYS 95 N -0.20 0.33 -0.69 1.82 3.64 -1.33 -2.37 116.57 117.77 1np8 h LYS 95 Ca 0.16 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1np8 h LYS 95 Cb 0.44 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1np8 h LYS 95 CO -0.42 0.36 0.44 0.00 -2.27 0.00 0.00 179.45 177.57 1np8 h ARG 96 N 0.22 0.92 -0.00 1.90 3.08 -0.57 -2.99 114.38 116.93 1np8 h ARG 96 Ca 0.08 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1np8 h ARG 96 Cb 0.15 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1np8 h ARG 96 CO -0.01 0.62 -0.15 1.19 -1.07 0.00 0.00 179.97 180.55 1np8 n PHE 97 N -4.59 0.00 -2.24 3.04 3.01 0.35 -4.33 117.46 112.71 1np8 n PHE 97 Ca 0.06 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.09 1np8 n PHE 97 Cb 0.03 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.22 1np8 n PHE 97 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1np8 n ASP 98 N -1.21 4.61 0.16 4.37 2.03 -0.90 -4.70 116.55 120.91 1np8 n ASP 98 Ca 0.11 -2.95 0.13 0.00 0.52 0.00 0.00 54.79 52.60 1np8 n ASP 98 Cb 0.30 -1.61 0.45 0.00 -0.72 0.00 0.00 41.12 39.54 1np8 n ASP 98 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1np8 h THR 99 N 4.32 0.00 -0.38 5.18 1.35 -1.83 -2.68 112.91 118.86 1np8 h THR 99 Ca 0.46 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1np8 h THR 99 Cb 0.71 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1np8 h THR 99 CO 1.64 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 176.01 1np8 n ASP 100 N -2.52 2.56 -3.85 5.36 5.68 -1.26 -4.97 116.55 117.55 1np8 n ASP 100 Ca 0.03 -1.92 -0.35 0.00 -0.50 0.00 0.00 54.79 52.06 1np8 n ASP 100 Cb 0.35 -0.25 0.02 0.00 -1.14 0.00 0.00 41.12 40.11 1np8 n ASP 100 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1np8 n ARG 101 N 0.90 -1.27 -0.00 0.11 3.00 -1.01 -4.89 116.66 113.49 1np8 n ARG 101 Ca 0.17 0.34 0.10 0.00 -0.01 0.00 0.00 57.85 58.45 1np8 n ARG 101 Cb 0.44 -3.75 -0.13 0.00 0.00 0.00 0.00 32.46 29.02 1np8 n ARG 101 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1np8 n SER 102 N -2.59 0.72 0.00 0.55 3.41 -1.26 -4.94 113.62 109.51 1np8 n SER 102 Ca -0.14 -0.70 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 1np8 n SER 102 Cb 0.60 1.28 0.00 0.00 -0.26 0.00 0.00 64.21 65.84 1np8 n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1np8 n GLY 103 N 1.43 0.56 3.19 5.00 0.00 -1.26 -4.82 105.19 109.29 1np8 n GLY 103 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1np8 n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1np8 s THR 104 N -2.25 0.12 -0.28 2.61 -4.23 -1.26 -1.18 115.64 109.16 1np8 s THR 104 Ca 0.00 -1.96 -0.05 0.00 -1.18 0.00 0.00 61.69 58.50 1np8 s THR 104 Cb 0.00 -2.29 0.02 0.00 1.34 0.00 0.00 72.50 71.56 1np8 s THR 104 CO 0.00 -0.22 0.04 -0.63 -0.54 0.00 0.00 174.62 173.26 1np8 s ILE 105 N -4.05 3.59 0.40 2.99 -1.09 -0.78 -4.70 121.20 117.56 1np8 s ILE 105 Ca 0.32 -0.84 0.06 0.00 -2.23 0.00 0.00 60.65 57.96 1np8 s ILE 105 Cb 0.07 -2.86 0.06 0.00 -1.58 0.00 0.00 42.46 38.15 1np8 s ILE 105 CO 0.07 0.09 0.51 0.61 -1.23 0.00 0.00 174.94 175.00 1np8 n GLY 106 N 4.79 2.10 0.31 6.18 0.00 -1.26 -1.57 105.19 115.75 1np8 n GLY 106 Ca -0.15 -2.21 0.15 0.00 0.00 0.00 0.00 46.02 43.81 1np8 n GLY 106 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1np8 h SER 107 N 0.13 0.11 0.19 1.61 0.02 -1.81 0.33 113.55 114.14 1np8 h SER 107 Ca -0.20 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1np8 h SER 107 Cb 0.87 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1np8 h SER 107 CO 0.29 -0.14 -0.08 0.59 -1.14 0.00 0.00 176.83 176.34 1np8 n ASN 108 N -5.18 0.74 -0.05 3.07 3.02 -1.26 -4.00 115.26 111.60 1np8 n ASN 108 Ca 0.23 -0.93 -0.06 0.00 -0.03 0.00 0.00 54.58 53.80 1np8 n ASN 108 Cb 0.74 -0.01 -0.08 0.00 -0.61 0.00 0.00 39.78 39.81 1np8 n ASN 108 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1np8 n GLU 109 N -0.63 2.11 0.13 3.52 1.02 0.73 -4.76 120.64 122.77 1np8 n GLU 109 Ca 0.17 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.15 1np8 n GLU 109 Cb 0.28 -1.27 -0.10 0.00 -0.02 0.00 0.00 31.44 30.34 1np8 n GLU 109 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1np8 h LEU 110 N 0.00 -1.54 -0.62 -4.62 7.12 -0.66 -1.58 115.31 113.42 1np8 h LEU 110 Ca -0.28 0.16 0.13 0.00 0.13 0.00 0.00 57.88 58.01 1np8 h LEU 110 Cb 1.62 0.56 -0.11 0.00 -0.53 0.00 0.00 40.66 42.20 1np8 h LEU 110 CO 0.01 -0.56 -0.11 -0.65 -0.13 0.00 0.00 178.44 176.99 1np8 h PRO 111 N -0.77 0.03 -0.42 5.25 0.11 -1.85 0.13 132.00 134.47 1np8 h PRO 111 Ca -0.01 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1np8 h PRO 111 Cb 0.76 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 1np8 h PRO 111 CO -0.27 0.02 0.25 0.78 -0.21 0.00 0.00 178.00 178.57 1np8 h GLY 112 N 0.03 0.62 0.94 -0.55 0.00 -1.82 -1.38 103.07 100.91 1np8 h GLY 112 Ca 0.30 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 1np8 h GLY 112 CO -0.61 0.25 0.07 0.00 0.00 0.00 0.00 176.54 176.25 1np8 h ALA 113 N 1.11 0.16 -0.65 3.60 0.00 -0.29 -1.67 119.26 121.51 1np8 h ALA 113 Ca 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1np8 h ALA 113 Cb 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1np8 h ALA 113 CO -0.03 -0.31 0.36 0.74 0.00 0.00 0.00 179.25 180.02 1np8 h PHE 114 N 0.11 0.88 -0.44 0.00 0.05 -0.70 -1.31 116.94 115.52 1np8 h PHE 114 Ca 0.04 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.83 1np8 h PHE 114 Cb 0.07 -0.28 -0.02 0.00 2.00 0.00 0.00 35.95 37.71 1np8 h PHE 114 CO -0.04 0.61 0.29 1.49 -0.18 0.00 0.00 178.31 180.47 1np8 h GLU 115 N 0.91 0.58 0.00 1.51 4.81 -0.87 0.10 114.58 121.62 1np8 h GLU 115 Ca 0.23 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1np8 h GLU 115 Cb 0.01 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 1np8 h GLU 115 CO -0.04 0.39 -0.09 0.00 -0.73 0.00 0.00 179.01 178.54 1np8 h ALA 116 N 1.16 1.62 -0.00 2.92 0.00 -0.61 0.35 119.26 124.70 1np8 h ALA 116 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1np8 h ALA 116 Cb -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1np8 h ALA 116 CO -0.03 0.11 -0.06 0.00 0.00 0.00 0.00 179.25 179.27 1np8 n ALA 117 N -2.41 2.67 -0.16 0.00 0.00 -0.27 -4.90 120.51 115.44 1np8 n ALA 117 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1np8 n ALA 117 Cb 0.17 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1np8 n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1np8 n GLY 118 N 1.23 0.92 3.35 0.00 0.00 0.12 -5.07 105.19 105.75 1np8 n GLY 118 Ca 0.16 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1np8 n GLY 118 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1np8 s PHE 119 N -2.00 2.39 -0.22 1.61 0.40 0.19 -4.98 117.98 115.38 1np8 s PHE 119 Ca 0.00 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 55.96 1np8 s PHE 119 Cb 0.00 -1.48 0.05 0.00 0.51 0.00 0.00 43.02 42.11 1np8 s PHE 119 CO 0.00 0.07 -0.07 -1.01 0.70 0.00 0.00 175.22 174.91 1np8 s HIS 120 N -0.72 2.36 0.06 0.36 3.76 -1.26 -2.86 115.29 116.99 1np8 s HIS 120 Ca 0.11 -1.65 0.01 0.00 -0.15 0.00 0.00 55.06 53.39 1np8 s HIS 120 Cb -0.10 -1.58 -0.04 0.00 1.11 0.00 0.00 32.58 31.97 1np8 s HIS 120 CO 0.01 -0.75 0.15 -0.51 -0.85 0.00 0.00 174.74 172.79 1np8 s LEU 121 N 1.41 4.11 0.54 0.89 1.02 -1.26 -5.12 118.68 120.26 1np8 s LEU 121 Ca -0.04 0.15 0.01 0.00 0.02 0.00 0.00 54.13 54.28 1np8 s LEU 121 Cb -0.18 -2.72 0.03 0.00 0.02 0.00 0.00 46.19 43.34 1np8 s LEU 121 CO -0.07 0.18 0.76 0.54 0.02 0.00 0.00 176.35 177.77 1np8 s ASN 122 N -2.41 5.34 0.19 2.29 6.03 -1.26 -4.86 114.94 120.26 1np8 s ASN 122 Ca 0.32 -0.01 -0.22 0.00 -1.03 0.00 0.00 52.86 51.92 1np8 s ASN 122 Cb -0.13 -0.92 0.12 0.00 -3.03 0.00 0.00 41.25 37.29 1np8 s ASN 122 CO 0.25 -1.09 1.58 1.56 -2.03 0.00 0.00 177.10 177.36 1np8 h GLN 123 N 0.12 -0.15 -0.41 3.55 1.08 -1.99 -1.27 115.11 116.04 1np8 h GLN 123 Ca -0.42 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 56.87 1np8 h GLN 123 Cb 1.29 0.03 -0.09 0.00 -0.05 0.00 0.00 27.48 28.66 1np8 h GLN 123 CO 0.52 -0.10 -0.30 1.25 -0.95 0.00 0.00 178.83 179.26 1np8 h HIS 124 N -0.16 -0.80 -0.44 2.96 2.76 -2.00 -1.03 115.15 116.44 1np8 h HIS 124 Ca 0.23 0.06 -0.07 0.00 -2.20 0.00 0.00 60.37 58.39 1np8 h HIS 124 Cb 0.56 0.41 -0.02 0.00 1.55 0.00 0.00 27.41 29.92 1np8 h HIS 124 CO -0.69 -0.36 -0.01 0.82 -1.30 0.00 0.00 177.93 176.39 1np8 h ILE 125 N -0.22 1.26 -0.99 6.26 1.08 -1.83 -2.52 117.51 120.55 1np8 h ILE 125 Ca 0.18 -1.06 0.04 0.00 -0.39 0.00 0.00 64.86 63.63 1np8 h ILE 125 Cb 0.52 1.07 -0.06 0.00 -3.07 0.00 0.00 36.82 35.28 1np8 h ILE 125 CO -0.53 0.36 0.65 0.22 -0.69 0.00 0.00 178.15 178.16 1np8 h TYR 126 N 0.63 1.21 -0.01 1.37 3.20 -0.68 0.27 116.97 122.95 1np8 h TYR 126 Ca 0.12 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.85 1np8 h TYR 126 Cb 0.51 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1np8 h TYR 126 CO 0.04 0.69 -0.77 0.66 -1.64 0.00 0.00 178.16 177.13 1np8 h SER 127 N 1.24 0.18 0.12 -2.11 4.64 -1.16 -2.24 113.55 114.22 1np8 h SER 127 Ca 0.40 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 1np8 h SER 127 Cb 0.04 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1np8 h SER 127 CO -0.13 0.88 -0.06 -0.03 -0.87 0.00 0.00 176.83 176.62 1np8 h MET 128 N 0.09 -0.16 -0.39 4.77 1.85 -0.91 -2.14 114.93 118.04 1np8 h MET 128 Ca -0.02 0.01 0.08 0.00 -0.61 0.00 0.00 59.70 59.16 1np8 h MET 128 Cb 1.35 0.04 -0.08 0.00 0.43 0.00 0.00 31.60 33.34 1np8 h MET 128 CO 0.11 0.21 -0.17 0.82 -0.40 0.00 0.00 176.91 177.49 1np8 h ILE 129 N -0.56 0.47 -0.73 1.77 1.08 -0.49 0.80 117.51 119.85 1np8 h ILE 129 Ca -0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 1np8 h ILE 129 Cb 0.44 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.63 1np8 h ILE 129 CO 0.03 0.00 0.40 0.40 -0.69 0.00 0.00 178.15 178.29 1np8 h ILE 130 N -0.09 1.22 -0.37 -0.67 1.08 -1.43 0.23 117.51 117.47 1np8 h ILE 130 Ca 0.19 -0.55 -0.12 0.00 -0.39 0.00 0.00 64.86 64.00 1np8 h ILE 130 Cb 0.39 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 1np8 h ILE 130 CO -0.46 0.24 -0.25 -0.09 -0.69 0.00 0.00 178.15 176.91 1np8 h ARG 131 N 1.01 0.75 0.14 2.37 2.43 -0.64 -1.19 114.38 119.25 1np8 h ARG 131 Ca 0.26 -0.32 -0.33 0.00 -0.81 0.00 0.00 59.98 58.79 1np8 h ARG 131 Cb 0.03 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1np8 h ARG 131 CO -0.04 0.93 -1.65 -0.09 -1.51 0.00 0.00 179.97 177.61 1np8 h ARG 132 N 0.65 0.30 -0.01 0.20 9.65 -0.69 -3.41 114.38 121.07 1np8 h ARG 132 Ca 0.09 -0.50 0.00 0.00 -1.10 0.00 0.00 59.98 58.46 1np8 h ARG 132 Cb 0.76 0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.53 1np8 h ARG 132 CO 0.06 1.17 -0.22 0.66 2.80 0.00 0.00 179.97 184.44 1np8 n TYR 133 N -3.49 0.00 -4.34 2.20 4.02 0.78 -5.03 117.16 111.30 1np8 n TYR 133 Ca -0.20 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.41 1np8 n TYR 133 Cb 1.06 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 40.27 1np8 n TYR 133 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1np8 s SER 134 N -1.41 3.92 0.50 7.72 0.01 -0.45 -4.49 113.70 119.51 1np8 s SER 134 Ca 0.09 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1np8 s SER 134 Cb 0.09 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.78 1np8 s SER 134 CO 0.27 0.12 0.00 -0.90 0.41 0.00 0.00 173.24 173.14 1np8 n ASP 135 N 0.23 -0.20 0.20 2.44 5.68 0.42 -4.75 116.55 120.57 1np8 n ASP 135 Ca -0.12 -0.40 0.15 0.00 -0.50 0.00 0.00 54.79 53.91 1np8 n ASP 135 Cb 0.55 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 41.16 1np8 n ASP 135 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1np8 h GLU 136 N 0.00 0.00 -0.01 0.11 3.07 -1.96 -2.11 114.58 113.68 1np8 h GLU 136 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1np8 h GLU 136 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1np8 h GLU 136 CO 0.00 0.00 -0.53 2.41 -1.40 0.00 0.00 179.01 179.49 1np8 n THR 137 N -2.60 0.00 -1.13 1.13 -1.04 -1.26 -4.93 114.28 104.45 1np8 n THR 137 Ca 0.01 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1np8 n THR 137 Cb 0.22 0.96 0.00 0.00 -1.82 0.00 0.00 70.33 69.69 1np8 n THR 137 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1np8 n GLY 138 N 1.42 0.88 3.44 3.41 0.00 -0.79 -4.77 105.19 108.78 1np8 n GLY 138 Ca 0.09 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 1np8 n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1np8 s ASN 139 N -2.64 4.31 -0.07 1.61 0.01 -1.26 -2.65 114.94 114.25 1np8 s ASN 139 Ca 0.00 -0.22 0.02 0.00 -0.71 0.00 0.00 52.86 51.95 1np8 s ASN 139 Cb 0.00 -1.54 -0.02 0.00 0.41 0.00 0.00 41.25 40.10 1np8 s ASN 139 CO 0.00 0.21 -0.12 0.00 -1.51 0.00 0.00 177.10 175.68 1np8 s MET 140 N 0.12 2.76 0.95 -0.60 0.23 -0.60 -0.43 119.30 121.72 1np8 s MET 140 Ca -0.04 -0.65 -0.15 0.00 -1.03 0.00 0.00 55.69 53.81 1np8 s MET 140 Cb -0.14 -2.49 0.19 0.00 -1.53 0.00 0.00 34.83 30.86 1np8 s MET 140 CO 0.04 0.54 1.30 0.16 -2.03 0.00 0.00 175.02 175.04 1np8 s ASP 141 N -0.51 3.22 0.10 -1.18 3.84 -1.26 -1.86 116.67 119.02 1np8 s ASP 141 Ca 0.07 0.25 -0.21 0.00 -0.00 0.00 0.00 52.55 52.65 1np8 s ASP 141 Cb -0.12 -0.32 -0.11 0.00 -1.38 0.00 0.00 42.92 41.00 1np8 s ASP 141 CO 0.02 -2.67 1.75 0.15 -0.00 0.00 0.00 175.17 174.42 1np8 h PHE 142 N -1.57 0.14 -0.29 2.11 3.57 -1.23 -0.83 116.94 118.83 1np8 h PHE 142 Ca -0.44 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 60.99 1np8 h PHE 142 Cb 1.24 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 1np8 h PHE 142 CO -1.07 0.10 -0.15 0.38 -2.23 0.00 0.00 178.31 175.35 1np8 h ASP 143 N 0.14 0.49 -0.44 0.41 2.03 -1.89 -1.28 116.42 115.89 1np8 h ASP 143 Ca 0.04 -0.14 -0.12 0.00 -0.73 0.00 0.00 57.03 56.08 1np8 h ASP 143 Cb -0.00 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 38.35 1np8 h ASP 143 CO -0.01 0.67 -0.21 0.78 -1.03 0.00 0.00 179.24 179.44 1np8 h ASN 144 N 0.46 0.94 -0.24 4.15 4.21 -1.86 -1.01 115.58 122.23 1np8 h ASN 144 Ca 0.08 -0.40 -0.00 0.00 1.21 0.00 0.00 56.30 57.19 1np8 h ASN 144 Cb 0.53 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 1np8 h ASN 144 CO 0.03 1.13 0.15 0.15 -1.29 0.00 0.00 177.43 177.60 1np8 h PHE 145 N 0.74 0.32 -0.07 1.19 3.57 -0.80 0.60 116.94 122.50 1np8 h PHE 145 Ca 0.10 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1np8 h PHE 145 Cb 0.78 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 1np8 h PHE 145 CO 0.06 0.24 0.01 0.82 -2.23 0.00 0.00 178.31 177.21 1np8 h ILE 146 N 0.31 1.21 -0.67 1.41 5.03 -1.21 -1.08 117.51 122.50 1np8 h ILE 146 Ca 0.09 -0.64 0.03 0.00 -0.12 0.00 0.00 64.86 64.22 1np8 h ILE 146 Cb 0.01 1.50 -0.04 0.00 -3.03 0.00 0.00 36.82 35.27 1np8 h ILE 146 CO -0.02 0.18 0.42 0.28 -0.68 0.00 0.00 178.15 178.33 1np8 h SER 147 N -0.12 0.69 -0.38 1.72 0.02 -1.06 -0.60 113.55 113.82 1np8 h SER 147 Ca 0.02 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1np8 h SER 147 Cb 0.27 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1np8 h SER 147 CO 0.00 0.48 0.21 0.00 -1.14 0.00 0.00 176.83 176.38 1np8 h LEU 149 N 0.48 1.01 -0.20 0.00 3.38 -0.72 0.12 115.31 119.40 1np8 h LEU 149 Ca 0.13 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1np8 h LEU 149 Cb 0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1np8 h LEU 149 CO -0.02 1.02 0.11 0.58 0.09 0.00 0.00 178.44 180.21 1np8 h VAL 150 N 0.97 1.02 -0.67 1.22 2.07 -0.95 0.27 116.25 120.18 1np8 h VAL 150 Ca 0.19 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.58 1np8 h VAL 150 Cb 0.43 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1np8 h VAL 150 CO 0.01 0.04 0.23 0.03 0.02 0.00 0.00 177.57 177.90 1np8 h ARG 151 N 0.23 1.04 -0.12 1.57 2.47 -1.10 -0.75 114.38 117.72 1np8 h ARG 151 Ca 0.08 -0.21 -0.01 0.00 -1.26 0.00 0.00 59.98 58.57 1np8 h ARG 151 Cb -0.00 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.16 1np8 h ARG 151 CO -0.04 0.89 0.03 1.25 0.56 0.00 0.00 179.97 182.67 1np8 h LEU 152 N 0.97 0.18 -0.18 3.04 5.85 -0.40 -0.26 115.31 124.52 1np8 h LEU 152 Ca 0.22 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.78 1np8 h LEU 152 Cb 0.28 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 1np8 h LEU 152 CO -0.01 0.35 -0.21 -0.78 -0.34 0.00 0.00 178.44 177.45 1np8 h ASP 153 N 0.01 -0.66 -0.88 1.25 -0.00 -0.30 -0.46 116.42 115.38 1np8 h ASP 153 Ca 0.04 0.12 -0.01 0.00 -0.00 0.00 0.00 57.03 57.18 1np8 h ASP 153 Cb 0.24 0.31 -0.04 0.00 -0.00 0.00 0.00 39.33 39.83 1np8 h ASP 153 CO -0.00 -0.25 0.52 0.00 -0.00 0.00 0.00 179.24 179.51 1np8 h ALA 154 N 0.80 1.12 0.24 -0.78 0.00 -1.01 -1.42 119.26 118.21 1np8 h ALA 154 Ca 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1np8 h ALA 154 Cb 0.42 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1np8 h ALA 154 CO -0.32 0.59 -0.11 1.98 0.00 0.00 0.00 179.25 181.38 1np8 h MET 155 N 1.21 -0.31 -0.91 0.00 1.85 -0.50 -2.27 114.93 114.01 1np8 h MET 155 Ca 0.31 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.43 1np8 h MET 155 Cb -0.04 0.07 -0.04 0.00 0.43 0.00 0.00 31.60 32.02 1np8 h MET 155 CO -0.06 -0.07 0.59 0.74 -0.40 0.00 0.00 176.91 177.71 1np8 h PHE 156 N -0.51 1.16 -0.10 1.39 0.05 -1.02 -2.28 116.94 115.64 1np8 h PHE 156 Ca -0.03 0.02 0.04 0.00 3.82 0.00 0.00 57.97 61.82 1np8 h PHE 156 Cb 0.38 -0.39 -0.05 0.00 2.00 0.00 0.00 35.95 37.89 1np8 h PHE 156 CO -0.01 0.74 -0.20 0.00 -0.18 0.00 0.00 178.31 178.66 1np8 h ARG 157 N 1.24 -0.27 -7.22 1.51 2.47 -1.17 -3.40 114.38 107.55 1np8 h ARG 157 Ca 0.33 0.02 -0.52 0.00 -1.26 0.00 0.00 59.98 58.55 1np8 h ARG 157 Cb -0.12 0.06 0.14 0.00 -1.65 0.00 0.00 29.97 28.40 1np8 h ARG 157 CO -0.07 -0.18 0.35 0.00 0.56 0.00 0.00 179.97 180.64 1np8 s ALA 158 N -6.10 2.19 0.00 0.04 0.00 -0.86 -5.11 121.76 111.92 1np8 s ALA 158 Ca -0.15 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1np8 s ALA 158 Cb 0.10 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1np8 s ALA 158 CO 0.67 -1.74 0.00 1.19 0.00 0.00 0.00 175.76 175.88