#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p7m s GLU 2 N 0.00 3.18 0.83 3.17 2.56 -1.26 -4.68 118.70 122.50 1p7m s GLU 2 Ca 0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 54.97 54.45 1p7m s GLU 2 Cb 0.00 -2.94 0.09 0.00 2.00 0.00 0.00 34.13 33.28 1p7m s GLU 2 CO 0.00 0.67 1.11 1.03 -0.56 0.00 0.00 175.26 177.51 1p7m s ARG 3 N -1.70 1.75 0.12 4.30 0.52 -1.26 -0.50 118.95 122.18 1p7m s ARG 3 Ca 0.23 1.28 -0.31 0.00 -0.52 0.00 0.00 55.73 56.41 1p7m s ARG 3 Cb -0.12 -1.83 -0.10 0.00 0.52 0.00 0.00 34.95 33.42 1p7m s ARG 3 CO 0.14 -2.04 1.72 0.00 0.02 0.00 0.00 175.30 175.14 1p7m h GLY 5 N 8.10 0.00 -0.53 0.00 0.00 -1.96 0.55 103.07 109.22 1p7m h GLY 5 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1p7m h GLY 5 CO 0.94 0.00 -0.33 1.87 0.00 0.00 0.00 176.54 179.01 1p7m n TRP 6 N -3.03 0.00 -0.04 5.60 -0.00 -1.26 -4.16 117.44 114.55 1p7m n TRP 6 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.45 1p7m n TRP 6 Cb 0.33 -0.05 -0.14 0.00 -0.00 0.00 0.00 31.31 31.45 1p7m n TRP 6 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 177.69 179.24 1p7m n VAL 7 N -0.18 1.11 1.10 5.87 3.14 0.19 -4.02 118.33 125.54 1p7m n VAL 7 Ca 0.11 -0.74 0.10 0.00 -2.96 0.00 0.00 64.34 60.86 1p7m n VAL 7 Cb 0.42 -0.53 0.56 0.00 -1.06 0.00 0.00 33.84 33.23 1p7m n VAL 7 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1p7m n SER 8 N -2.74 0.00 -0.03 6.55 2.88 -1.11 -3.51 113.62 115.66 1p7m n SER 8 Ca -0.19 -0.25 -0.12 0.00 -1.33 0.00 0.00 58.87 56.98 1p7m n SER 8 Cb 0.95 -0.18 -0.07 0.00 -0.75 0.00 0.00 64.21 64.16 1p7m n SER 8 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1p7m h GLN 9 N 0.00 0.17 -2.56 -1.46 1.08 -1.78 -3.46 115.11 107.09 1p7m h GLN 9 Ca 0.00 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.09 1p7m h GLN 9 Cb 0.12 -0.02 -0.17 0.00 -0.05 0.00 0.00 27.48 27.37 1p7m h GLN 9 CO 0.00 0.41 0.10 -0.51 -0.95 0.00 0.00 178.83 177.89 1p7m s ASP 10 N -5.66 -0.52 0.46 1.46 1.01 -1.23 -5.04 116.67 107.14 1p7m s ASP 10 Ca -0.14 0.33 0.18 0.00 0.71 0.00 0.00 52.55 53.63 1p7m s ASP 10 Cb 0.05 0.52 1.15 0.00 1.01 0.00 0.00 42.92 45.65 1p7m s ASP 10 CO 0.70 -0.71 1.95 -0.65 0.21 0.00 0.00 175.17 176.67 1p7m h PRO 11 N 2.77 0.28 -0.53 8.23 0.11 -1.90 -2.00 132.00 138.97 1p7m h PRO 11 Ca -0.30 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.80 1p7m h PRO 11 Cb 1.20 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1p7m h PRO 11 CO 0.40 0.19 0.35 -0.07 -0.21 0.00 0.00 178.00 178.65 1p7m h LEU 12 N 0.29 0.60 -1.36 2.35 3.38 -1.96 -1.55 115.31 117.05 1p7m h LEU 12 Ca 0.32 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 1p7m h LEU 12 Cb 0.85 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1p7m h LEU 12 CO -0.08 0.43 0.14 1.88 0.09 0.00 0.00 178.44 180.90 1p7m h TYR 13 N 0.70 0.57 -0.83 1.13 0.05 -1.66 -2.04 116.97 114.90 1p7m h TYR 13 Ca 0.20 -0.02 0.14 0.00 0.05 0.00 0.00 58.73 59.09 1p7m h TYR 13 Cb -0.06 -0.18 -0.09 0.00 1.01 0.00 0.00 36.73 37.41 1p7m h TYR 13 CO -0.00 0.47 0.43 0.82 -1.05 0.00 0.00 178.16 178.82 1p7m h ILE 14 N 0.57 0.75 -0.01 -2.88 5.03 -1.39 1.06 117.51 120.65 1p7m h ILE 14 Ca 0.14 -0.22 -0.00 0.00 -0.12 0.00 0.00 64.86 64.66 1p7m h ILE 14 Cb 0.15 0.07 -0.00 0.00 -3.03 0.00 0.00 36.82 34.01 1p7m h ILE 14 CO -0.01 0.11 -0.00 0.00 -0.68 0.00 0.00 178.15 177.57 1p7m h ALA 15 N 1.54 0.01 -0.48 1.87 0.00 -1.45 -1.46 119.26 119.29 1p7m h ALA 15 Ca 0.45 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1p7m h ALA 15 Cb 0.60 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1p7m h ALA 15 CO -0.35 -0.26 0.06 -0.92 0.00 0.00 0.00 179.25 177.78 1p7m h TYR 16 N -0.43 0.86 -0.44 0.00 3.20 -1.05 -2.73 116.97 116.39 1p7m h TYR 16 Ca 0.00 -0.13 -0.07 0.00 3.14 0.00 0.00 58.73 61.68 1p7m h TYR 16 Cb 0.45 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1p7m h TYR 16 CO 0.08 0.80 -0.00 1.25 -1.64 0.00 0.00 178.16 178.65 1p7m h HIS 17 N 0.67 0.75 0.00 -3.82 2.76 0.11 -2.83 115.15 112.80 1p7m h HIS 17 Ca 0.14 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1p7m h HIS 17 Cb 0.42 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.17 1p7m h HIS 17 CO 0.03 0.71 0.00 -0.44 -1.30 0.00 0.00 177.93 176.93 1p7m h ASP 18 N 0.67 0.00 0.00 3.26 3.32 -1.08 -3.34 116.42 119.26 1p7m h ASP 18 Ca 0.13 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 1p7m h ASP 18 Cb 0.42 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1p7m h ASP 18 CO 0.02 0.00 -0.73 -0.55 -1.72 0.00 0.00 179.24 176.26 1p7m h ASN 19 N 0.00 0.00 0.00 6.45 7.08 -1.23 -3.47 115.58 124.41 1p7m h ASN 19 Ca 0.00 -0.28 -0.19 0.00 -3.08 0.00 0.00 56.30 52.75 1p7m h ASN 19 Cb 0.69 0.00 -0.14 0.00 -2.08 0.00 0.00 38.32 36.80 1p7m h ASN 19 CO 0.00 1.05 -0.38 -1.84 -2.08 0.00 0.00 177.43 174.18 1p7m n GLU 20 N -4.56 0.66 -1.34 4.14 0.28 -1.20 -4.93 120.64 113.69 1p7m n GLU 20 Ca -0.17 -1.52 -0.38 0.00 -0.16 0.00 0.00 57.16 54.93 1p7m n GLU 20 Cb 0.43 -1.15 -0.02 0.00 1.43 0.00 0.00 31.44 32.12 1p7m n GLU 20 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 177.13 178.84 1p7m n TRP 21 N 1.47 2.56 -2.63 -1.84 -0.00 -1.25 -4.16 117.44 111.59 1p7m n TRP 21 Ca 0.07 -2.74 -0.06 0.00 -0.00 0.00 0.00 57.50 54.77 1p7m n TRP 21 Cb 0.66 -2.30 0.02 0.00 -0.00 0.00 0.00 31.31 29.69 1p7m n TRP 21 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1p7m n GLY 22 N 3.88 0.38 0.07 5.87 0.00 -1.04 -4.83 105.19 109.51 1p7m n GLY 22 Ca 0.62 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 46.19 1p7m n GLY 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p7m n VAL 23 N -2.61 0.92 -2.96 1.61 0.31 -1.26 -4.32 118.33 110.02 1p7m n VAL 23 Ca -0.04 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.49 1p7m n VAL 23 Cb 0.53 -0.78 -0.03 0.00 -0.91 0.00 0.00 33.84 32.65 1p7m n VAL 23 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1p7m s PRO 24 N -2.32 3.74 0.90 5.55 0.04 -1.26 -5.00 135.00 136.66 1p7m s PRO 24 Ca -0.11 0.36 -0.11 0.00 0.04 0.00 0.00 61.00 61.18 1p7m s PRO 24 Cb 0.04 -2.45 0.14 0.00 0.04 0.00 0.00 34.50 32.27 1p7m s PRO 24 CO 0.50 0.02 1.11 -1.83 0.04 0.00 0.00 177.00 176.83 1p7m s GLU 25 N -3.78 1.16 -0.35 4.56 -1.05 -1.26 -4.19 118.70 113.78 1p7m s GLU 25 Ca 0.50 1.21 -0.22 0.00 -0.15 0.00 0.00 54.97 56.31 1p7m s GLU 25 Cb -0.10 -1.77 0.00 0.00 -0.44 0.00 0.00 34.13 31.82 1p7m s GLU 25 CO 0.31 -2.43 0.70 0.95 0.95 0.00 0.00 175.26 175.75 1p7m s THR 26 N -2.75 4.83 0.40 1.83 -4.23 -1.25 -4.90 115.64 109.57 1p7m s THR 26 Ca 0.65 0.80 -0.05 0.00 -1.18 0.00 0.00 61.69 61.91 1p7m s THR 26 Cb -0.21 -4.12 -0.04 0.00 1.34 0.00 0.00 72.50 69.47 1p7m s THR 26 CO 0.58 -0.32 0.68 -1.81 -0.54 0.00 0.00 174.62 173.21 1p7m s ASP 27 N 1.77 6.35 0.09 3.99 1.01 -1.26 -4.86 116.67 123.76 1p7m s ASP 27 Ca 0.28 0.81 -0.18 0.00 0.71 0.00 0.00 52.55 54.16 1p7m s ASP 27 Cb -0.14 -2.19 -0.07 0.00 1.01 0.00 0.00 42.92 41.53 1p7m s ASP 27 CO 0.15 -0.40 1.54 0.28 0.21 0.00 0.00 175.17 176.94 1p7m h SER 28 N 0.83 0.44 0.09 0.27 0.02 -1.96 -2.84 113.55 110.40 1p7m h SER 28 Ca -0.48 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.17 1p7m h SER 28 Cb 1.20 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1p7m h SER 28 CO 0.63 0.63 -0.04 0.11 -1.14 0.00 0.00 176.83 177.01 1p7m h LYS 29 N 0.25 -0.12 -0.78 3.45 1.79 -2.01 -2.35 116.57 116.80 1p7m h LYS 29 Ca 0.08 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.63 1p7m h LYS 29 Cb 0.39 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.02 1p7m h LYS 29 CO 0.01 0.08 0.51 0.87 -1.08 0.00 0.00 179.45 179.85 1p7m h LYS 30 N -0.30 0.76 -0.04 3.15 1.79 -1.98 0.91 116.57 120.87 1p7m h LYS 30 Ca -0.01 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.35 1p7m h LYS 30 Cb 0.25 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1p7m h LYS 30 CO 0.02 0.50 -0.27 -0.07 -1.08 0.00 0.00 179.45 178.55 1p7m h LEU 31 N 0.78 0.06 0.03 2.94 4.07 -1.24 -1.14 115.31 120.82 1p7m h LEU 31 Ca 0.35 -0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.30 1p7m h LEU 31 Cb 0.34 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 1p7m h LEU 31 CO -0.13 0.34 -0.05 -0.26 -1.08 0.00 0.00 178.44 177.26 1p7m h PHE 32 N 0.06 -0.14 -0.26 1.13 0.04 -0.27 -2.19 116.94 115.32 1p7m h PHE 32 Ca 0.01 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.71 1p7m h PHE 32 Cb 0.51 0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 1p7m h PHE 32 CO 0.00 -0.09 -0.13 0.93 -0.60 0.00 0.00 178.31 178.43 1p7m h GLU 33 N -0.11 0.54 -0.46 1.51 5.08 -1.46 -2.96 114.58 116.72 1p7m h GLU 33 Ca 0.01 -0.24 0.09 0.00 -1.00 0.00 0.00 59.36 58.23 1p7m h GLU 33 Cb 0.12 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.27 1p7m h GLU 33 CO -0.04 0.79 -0.11 1.98 -1.00 0.00 0.00 179.01 180.63 1p7m h MET 34 N 0.27 0.00 0.00 2.33 4.05 -1.01 0.24 114.93 120.81 1p7m h MET 34 Ca 0.06 -0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.42 1p7m h MET 34 Cb 0.63 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.43 1p7m h MET 34 CO 0.04 0.00 -0.27 0.97 0.23 0.00 0.00 176.91 177.88 1p7m h ILE 35 N 0.00 1.10 -0.06 1.77 6.09 -1.42 -0.23 117.51 124.76 1p7m h ILE 35 Ca 0.22 -0.94 -0.04 0.00 -1.37 0.00 0.00 64.86 62.73 1p7m h ILE 35 Cb 0.33 1.52 0.00 0.00 0.47 0.00 0.00 36.82 39.15 1p7m h ILE 35 CO -0.47 0.26 -0.11 0.00 -3.07 0.00 0.00 178.15 174.76 1p7m h LEU 37 N -0.30 1.01 -1.36 0.00 -0.00 -0.53 -2.69 115.31 111.43 1p7m h LEU 37 Ca 0.00 -0.38 0.03 0.00 -0.00 0.00 0.00 57.88 57.53 1p7m h LEU 37 Cb 0.68 -0.28 -0.04 0.00 -0.00 0.00 0.00 40.66 41.03 1p7m h LEU 37 CO 0.03 1.16 0.45 -0.33 -0.00 0.00 0.00 178.44 179.74 1p7m h GLU 38 N 0.85 0.83 -0.26 1.13 4.39 -1.07 -0.04 114.58 120.41 1p7m h GLU 38 Ca 0.12 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1p7m h GLU 38 Cb 0.74 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1p7m h GLU 38 CO 0.06 0.55 0.15 0.78 -1.16 0.00 0.00 179.01 179.38 1p7m h GLY 39 N 0.85 0.37 0.99 -3.84 0.00 -1.06 0.85 103.07 101.23 1p7m h GLY 39 Ca 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1p7m h GLY 39 CO -0.07 0.14 -0.01 -1.06 0.00 0.00 0.00 176.54 175.54 1p7m n GLN 40 N -4.47 0.92 0.00 4.80 6.02 -0.05 -3.16 117.38 121.44 1p7m n GLN 40 Ca 0.01 -0.09 0.13 0.00 -0.01 0.00 0.00 57.00 57.03 1p7m n GLN 40 Cb 0.09 -1.50 0.34 0.00 1.02 0.00 0.00 30.24 30.19 1p7m n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1p7m n GLN 41 N -0.96 0.40 -2.04 -1.09 -0.00 0.29 -4.42 117.38 109.57 1p7m n GLN 41 Ca 0.21 -0.23 -0.42 0.00 -0.00 0.00 0.00 57.00 56.56 1p7m n GLN 41 Cb 0.17 -1.50 -0.03 0.00 -0.00 0.00 0.00 30.24 28.88 1p7m n GLN 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1p7m s ALA 42 N -2.75 3.62 0.00 2.61 0.00 -1.19 -2.58 121.76 121.48 1p7m s ALA 42 Ca 0.18 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1p7m s ALA 42 Cb 0.18 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1p7m s ALA 42 CO 0.60 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1p7m n GLY 43 N 4.09 1.56 3.91 0.00 0.00 -1.26 -4.95 105.19 108.54 1p7m n GLY 43 Ca 0.17 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1p7m n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p7m s LEU 44 N 0.00 4.35 0.67 0.99 1.02 -1.06 -5.07 118.68 119.57 1p7m s LEU 44 Ca 0.00 0.37 -0.16 0.00 0.02 0.00 0.00 54.13 54.36 1p7m s LEU 44 Cb 0.00 -2.93 0.00 0.00 0.02 0.00 0.00 46.19 43.28 1p7m s LEU 44 CO 0.00 0.17 1.16 -0.44 0.02 0.00 0.00 176.35 177.26 1p7m s SER 45 N -2.32 4.84 0.39 2.29 0.01 -1.26 -4.53 113.70 113.12 1p7m s SER 45 Ca 0.34 2.18 0.07 0.00 1.31 0.00 0.00 55.95 59.86 1p7m s SER 45 Cb -0.13 -2.57 0.82 0.00 0.21 0.00 0.00 66.02 64.35 1p7m s SER 45 CO 0.25 -1.82 1.99 -0.25 0.41 0.00 0.00 173.24 173.82 1p7m h TRP 46 N 0.11 0.64 0.00 2.43 2.91 -1.93 -0.36 115.95 119.75 1p7m h TRP 46 Ca -0.48 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 59.52 1p7m h TRP 46 Cb 1.27 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.70 1p7m h TRP 46 CO 0.51 0.35 -0.19 0.82 -1.03 0.00 0.00 178.44 178.90 1p7m h ILE 47 N 0.65 1.05 -0.80 2.65 1.08 -2.00 -2.26 117.51 117.88 1p7m h ILE 47 Ca 0.26 -0.68 -0.01 0.00 -0.39 0.00 0.00 64.86 64.03 1p7m h ILE 47 Cb 0.21 1.38 -0.04 0.00 -3.07 0.00 0.00 36.82 35.29 1p7m h ILE 47 CO -0.08 0.19 0.46 0.74 -0.69 0.00 0.00 178.15 178.77 1p7m h THR 48 N 0.00 1.23 -0.01 -0.27 2.02 -1.40 -1.72 112.91 112.76 1p7m h THR 48 Ca -0.00 -0.55 -0.11 0.00 0.77 0.00 0.00 66.41 66.52 1p7m h THR 48 Cb 0.36 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1p7m h THR 48 CO 0.03 0.25 -0.51 -0.37 0.37 0.00 0.00 175.52 175.29 1p7m h VAL 49 N 1.11 1.37 -0.29 3.16 -1.51 -1.44 -2.68 116.25 115.97 1p7m h VAL 49 Ca 0.29 -1.76 -0.01 0.00 -1.23 0.00 0.00 66.70 63.99 1p7m h VAL 49 Cb -0.00 1.94 -0.01 0.00 -2.13 0.00 0.00 31.29 31.08 1p7m h VAL 49 CO -0.05 0.50 0.16 0.25 -1.23 0.00 0.00 177.57 177.20 1p7m h LEU 50 N 0.02 0.37 -0.43 4.19 6.46 -1.00 1.74 115.31 126.66 1p7m h LEU 50 Ca -0.00 -0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.64 1p7m h LEU 50 Cb 0.91 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.73 1p7m h LEU 50 CO 0.07 0.35 0.17 0.11 -0.62 0.00 0.00 178.44 178.52 1p7m h LYS 51 N 0.35 0.64 0.00 1.25 1.57 -1.36 -0.84 116.57 118.19 1p7m h LYS 51 Ca 0.10 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1p7m h LYS 51 Cb 0.07 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1p7m h LYS 51 CO -0.02 0.60 0.00 1.63 -0.57 0.00 0.00 179.45 181.09 1p7m n LYS 52 N -4.61 0.03 -0.07 3.15 4.01 -1.02 -2.93 118.16 116.71 1p7m n LYS 52 Ca 0.00 0.07 -0.12 0.00 -0.51 0.00 0.00 58.31 57.76 1p7m n LYS 52 Cb 0.15 -1.50 -0.05 0.00 -0.51 0.00 0.00 35.03 33.12 1p7m n LYS 52 CO 0.00 0.00 0.00 -0.09 -1.11 0.00 0.00 177.40 176.20 1p7m h ARG 53 N 0.00 0.39 -0.48 1.97 2.43 0.41 1.56 114.38 120.67 1p7m h ARG 53 Ca 0.00 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 58.97 1p7m h ARG 53 Cb 0.41 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1p7m h ARG 53 CO 0.00 0.63 0.07 0.93 -1.51 0.00 0.00 179.97 180.09 1p7m h GLU 54 N 0.13 0.80 -0.34 0.20 5.08 -1.40 0.32 114.58 119.37 1p7m h GLU 54 Ca 0.05 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 58.07 1p7m h GLU 54 Cb 0.47 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1p7m h GLU 54 CO 0.02 0.81 -0.29 -0.91 -1.00 0.00 0.00 179.01 177.64 1p7m h ASN 55 N 0.67 0.84 -0.51 1.42 2.35 -1.47 -2.70 115.58 116.18 1p7m h ASN 55 Ca 0.15 -0.45 -0.01 0.00 -0.55 0.00 0.00 56.30 55.44 1p7m h ASN 55 Cb 0.40 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1p7m h ASN 55 CO 0.01 1.12 0.29 0.22 -1.65 0.00 0.00 177.43 177.41 1p7m h TYR 56 N 0.58 0.69 -0.89 1.19 5.03 0.25 -2.11 116.97 121.70 1p7m h TYR 56 Ca 0.06 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.42 1p7m h TYR 56 Cb 0.86 -0.22 -0.06 0.00 1.55 0.00 0.00 36.73 38.86 1p7m h TYR 56 CO 0.07 0.50 0.58 0.00 -1.32 0.00 0.00 178.16 177.99 1p7m h ARG 57 N 0.67 0.99 -0.20 1.82 2.47 -0.27 -1.16 114.38 118.70 1p7m h ARG 57 Ca 0.18 -0.06 -0.12 0.00 -1.26 0.00 0.00 59.98 58.72 1p7m h ARG 57 Cb 0.03 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.12 1p7m h ARG 57 CO -0.03 0.66 -0.38 0.00 0.56 0.00 0.00 179.97 180.78 1p7m h ALA 58 N 1.51 0.98 -0.12 0.04 0.00 -1.08 0.19 119.26 120.78 1p7m h ALA 58 Ca 0.38 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1p7m h ALA 58 Cb 0.18 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1p7m h ALA 58 CO -0.14 0.61 -0.45 0.00 0.00 0.00 0.00 179.25 179.27 1p7m n PHE 60 N -4.26 0.99 0.22 0.00 3.72 -0.56 -4.45 117.46 113.11 1p7m n PHE 60 Ca -0.08 -0.49 0.00 0.00 -0.05 0.00 0.00 57.45 56.84 1p7m n PHE 60 Cb 0.57 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 1p7m n PHE 60 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 1p7m n HIS 61 N 1.59 0.00 -0.00 1.38 -0.00 0.67 -2.23 115.22 116.62 1p7m n HIS 61 Ca 0.24 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.30 1p7m n HIS 61 Cb 0.62 -0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.51 1p7m n HIS 61 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 1p7m h GLN 62 N 0.09 0.62 0.00 1.57 4.20 -1.85 -3.47 115.11 116.26 1p7m h GLN 62 Ca 0.00 -0.43 0.00 0.00 0.06 0.00 0.00 58.65 58.28 1p7m h GLN 62 Cb 0.01 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1p7m h GLN 62 CO 0.00 1.05 0.00 1.19 -0.67 0.00 0.00 178.83 180.40 1p7m n PHE 63 N -3.94 0.00 0.00 2.96 3.72 -0.94 -5.10 117.46 114.16 1p7m n PHE 63 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1p7m n PHE 63 Cb 0.65 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 1p7m n PHE 63 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1p7m n ASP 64 N 0.00 0.00 0.00 4.37 2.03 -1.26 -5.06 116.55 116.64 1p7m n ASP 64 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1p7m n ASP 64 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1p7m n ASP 64 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1p7m n PRO 65 N 0.00 0.00 -0.14 -0.67 -0.04 -1.26 -4.63 135.00 128.26 1p7m n PRO 65 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 1p7m n PRO 65 Cb 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 1p7m n PRO 65 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1p7m h VAL 66 N 0.00 1.11 -0.66 0.52 2.07 -1.99 -1.90 116.25 115.40 1p7m h VAL 66 Ca 0.00 -0.21 0.12 0.00 0.82 0.00 0.00 66.70 67.43 1p7m h VAL 66 Cb 0.00 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1p7m h VAL 66 CO 0.00 0.11 0.44 0.11 0.02 0.00 0.00 177.57 178.25 1p7m h LYS 67 N 0.59 0.40 -0.52 1.57 6.56 -1.99 0.34 116.57 123.52 1p7m h LYS 67 Ca 0.16 -0.02 -0.07 0.00 -1.06 0.00 0.00 60.65 59.66 1p7m h LYS 67 Cb -0.07 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 31.48 1p7m h LYS 67 CO -0.03 0.26 0.05 0.28 -2.06 0.00 0.00 179.45 177.95 1p7m h VAL 68 N 0.41 1.24 0.00 0.50 2.07 -1.61 0.71 116.25 119.57 1p7m h VAL 68 Ca 0.31 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1p7m h VAL 68 Cb 0.67 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1p7m h VAL 68 CO -0.09 0.34 0.00 0.00 0.02 0.00 0.00 177.57 177.84 1p7m h ALA 69 N 1.26 1.00 -0.01 1.67 0.00 -0.09 0.14 119.26 123.23 1p7m h ALA 69 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1p7m h ALA 69 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1p7m h ALA 69 CO 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 179.25 178.87 1p7m n ALA 70 N -1.98 3.36 -2.41 0.00 0.00 0.19 -4.80 120.51 114.88 1p7m n ALA 70 Ca -0.01 -0.45 -0.43 0.00 0.00 0.00 0.00 53.44 52.55 1p7m n ALA 70 Cb 0.16 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 1p7m n ALA 70 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1p7m s MET 71 N -2.62 3.86 0.54 0.00 -1.94 0.47 -4.99 119.30 114.61 1p7m s MET 71 Ca 0.20 1.20 0.03 0.00 -1.71 0.00 0.00 55.69 55.41 1p7m s MET 71 Cb 0.18 -3.91 0.04 0.00 2.01 0.00 0.00 34.83 33.16 1p7m s MET 71 CO 0.59 -1.20 0.75 -1.14 -0.01 0.00 0.00 175.02 174.01 1p7m s GLN 72 N 4.30 2.48 0.55 2.03 0.74 -1.26 -4.91 119.66 123.59 1p7m s GLN 72 Ca 0.57 -1.01 0.28 0.00 0.05 0.00 0.00 55.36 55.25 1p7m s GLN 72 Cb -0.16 -2.55 1.46 0.00 1.10 0.00 0.00 33.01 32.86 1p7m s GLN 72 CO 0.25 -0.71 1.95 0.93 -0.55 0.00 0.00 175.29 177.16 1p7m h GLU 73 N 0.14 0.00 -0.11 1.67 5.08 -1.99 -0.90 114.58 118.47 1p7m h GLU 73 Ca -0.40 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 57.99 1p7m h GLU 73 Cb 1.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 1p7m h GLU 73 CO 0.48 0.00 -0.08 0.93 -1.00 0.00 0.00 179.01 179.34 1p7m h GLU 74 N 0.00 -0.08 -0.54 2.33 4.39 -1.99 -0.61 114.58 118.08 1p7m h GLU 74 Ca 0.27 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.93 1p7m h GLU 74 Cb 1.20 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 1p7m h GLU 74 CO -0.00 -0.05 0.12 0.38 -1.16 0.00 0.00 179.01 178.30 1p7m h ASP 75 N -0.08 0.77 -0.86 1.42 3.04 -1.54 -2.13 116.42 117.05 1p7m h ASP 75 Ca 0.07 -0.14 0.07 0.00 -3.24 0.00 0.00 57.03 53.79 1p7m h ASP 75 Cb 0.18 -0.20 -0.07 0.00 -1.04 0.00 0.00 39.33 38.20 1p7m h ASP 75 CO -0.16 0.77 0.52 0.58 -2.04 0.00 0.00 179.24 178.90 1p7m h VAL 76 N 0.80 1.00 -0.94 4.15 2.07 -0.89 0.10 116.25 122.54 1p7m h VAL 76 Ca 0.17 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.43 1p7m h VAL 76 Cb 0.30 -0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.01 1p7m h VAL 76 CO -0.00 0.17 0.60 -0.33 0.02 0.00 0.00 177.57 178.03 1p7m h GLU 77 N 0.92 1.09 -0.54 1.57 5.08 -0.47 0.42 114.58 122.64 1p7m h GLU 77 Ca 0.39 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1p7m h GLU 77 Cb 0.24 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1p7m h GLU 77 CO -0.20 0.72 0.26 -0.09 -1.00 0.00 0.00 179.01 178.71 1p7m h ARG 78 N 1.12 0.78 -0.20 2.33 2.43 -0.73 -2.62 114.38 117.50 1p7m h ARG 78 Ca 0.39 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 59.35 1p7m h ARG 78 Cb 0.10 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1p7m h ARG 78 CO -0.15 0.64 -0.29 -0.07 -1.51 0.00 0.00 179.97 178.59 1p7m h LEU 79 N 0.73 0.39 -0.92 3.80 3.38 0.68 -2.32 115.31 121.06 1p7m h LEU 79 Ca 0.19 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1p7m h LEU 79 Cb 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1p7m h LEU 79 CO -0.02 0.67 0.46 0.58 0.09 0.00 0.00 178.44 180.22 1p7m h VAL 80 N 0.34 0.00 0.00 1.22 2.07 0.16 0.11 116.25 120.15 1p7m h VAL 80 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1p7m h VAL 80 Cb 0.69 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1p7m h VAL 80 CO 0.05 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.64 1p7m n GLN 81 N -2.27 5.83 -2.30 1.57 10.64 -0.91 -4.65 117.38 125.29 1p7m n GLN 81 Ca -0.01 -0.01 -0.43 0.00 -1.83 0.00 0.00 57.00 54.72 1p7m n GLN 81 Cb 0.48 -0.44 -0.02 0.00 -0.86 0.00 0.00 30.24 29.40 1p7m n GLN 81 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1p7m s ASP 82 N -0.84 6.22 0.00 2.61 1.01 0.40 -3.24 116.67 122.83 1p7m s ASP 82 Ca 0.00 0.81 0.00 0.00 0.71 0.00 0.00 52.55 54.07 1p7m s ASP 82 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1p7m s ASP 82 CO 0.00 -1.53 0.00 0.00 0.21 0.00 0.00 175.17 173.85 1p7m n ALA 83 N 9.21 0.00 -2.54 5.23 0.00 -1.26 -3.07 120.51 128.08 1p7m n ALA 83 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.56 1p7m n ALA 83 Cb 0.48 -0.19 0.01 0.00 0.00 0.00 0.00 19.45 19.76 1p7m n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p7m n GLY 84 N -1.79 0.54 0.00 0.00 0.00 -1.20 -5.03 105.19 97.71 1p7m n GLY 84 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1p7m n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1p7m n ILE 85 N -3.27 0.00 -1.54 -0.61 -5.35 -1.17 -4.38 119.36 103.03 1p7m n ILE 85 Ca -0.01 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.30 1p7m n ILE 85 Cb 0.52 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.30 1p7m n ILE 85 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1p7m n ILE 86 N -1.91 -0.00 -1.72 7.28 2.08 -1.26 -4.80 119.36 119.03 1p7m n ILE 86 Ca 0.00 -0.50 -0.43 0.00 0.56 0.00 0.00 62.75 62.38 1p7m n ILE 86 Cb 0.00 -1.44 -0.03 0.00 -0.75 0.00 0.00 39.64 37.42 1p7m n ILE 86 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 1p7m s ARG 87 N 8.37 3.44 0.00 0.38 3.52 -1.26 -4.75 118.95 128.65 1p7m s ARG 87 Ca 1.05 2.05 0.00 0.00 -0.13 0.00 0.00 55.73 58.70 1p7m s ARG 87 Cb -0.35 -4.27 0.00 0.00 -1.56 0.00 0.00 34.95 28.77 1p7m s ARG 87 CO 0.23 -1.75 0.00 0.72 -0.81 0.00 0.00 175.30 173.70 1p7m n HIS 88 N 10.30 0.00 -0.37 5.12 8.25 -1.26 -5.02 115.22 132.24 1p7m n HIS 88 Ca 0.26 0.00 0.31 0.00 -0.26 0.00 0.00 57.72 58.02 1p7m n HIS 88 Cb 0.44 0.00 0.57 0.00 1.12 0.00 0.00 29.99 32.12 1p7m n HIS 88 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1p7m h ARG 89 N 0.00 0.15 0.30 -0.41 0.11 -1.93 0.22 114.38 112.81 1p7m h ARG 89 Ca 0.00 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 1p7m h ARG 89 Cb 0.00 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.03 1p7m h ARG 89 CO 0.00 0.10 -0.24 0.78 0.10 0.00 0.00 179.97 180.71 1p7m h GLY 90 N 0.15 -0.57 1.05 0.08 0.00 -1.97 0.16 103.07 101.97 1p7m h GLY 90 Ca 0.79 0.27 -0.03 0.00 0.00 0.00 0.00 47.33 48.36 1p7m h GLY 90 CO -0.58 -0.23 0.39 0.50 0.00 0.00 0.00 176.54 176.62 1p7m h LYS 91 N -0.55 1.23 -0.93 4.80 1.57 -1.01 -2.23 116.57 119.45 1p7m h LYS 91 Ca -0.02 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1p7m h LYS 91 Cb 0.48 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1p7m h LYS 91 CO -0.02 0.95 0.56 0.82 -0.57 0.00 0.00 179.45 181.19 1p7m h ILE 92 N 1.21 1.26 -0.83 1.86 1.08 -0.88 -0.28 117.51 120.93 1p7m h ILE 92 Ca 0.29 -0.56 0.11 0.00 -0.39 0.00 0.00 64.86 64.31 1p7m h ILE 92 Cb 0.14 -0.06 -0.06 0.00 -3.07 0.00 0.00 36.82 33.77 1p7m h ILE 92 CO -0.03 0.27 0.54 1.56 -0.69 0.00 0.00 178.15 179.80 1p7m h GLN 93 N 1.29 0.70 -0.90 2.37 4.20 -0.35 0.16 115.11 122.58 1p7m h GLN 93 Ca 0.34 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 1p7m h GLN 93 Cb -0.05 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.53 1p7m h GLN 93 CO -0.06 0.46 0.56 0.00 -0.67 0.00 0.00 178.83 179.11 1p7m h ALA 94 N 1.60 1.29 -0.52 3.87 0.00 -0.85 -1.70 119.26 122.94 1p7m h ALA 94 Ca 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1p7m h ALA 94 Cb 0.55 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1p7m h ALA 94 CO -0.16 0.62 0.29 0.82 0.00 0.00 0.00 179.25 180.82 1p7m h ILE 95 N 1.23 1.18 -0.81 0.00 1.08 -0.46 -0.46 117.51 119.27 1p7m h ILE 95 Ca 0.32 -0.45 0.02 0.00 -0.39 0.00 0.00 64.86 64.36 1p7m h ILE 95 Cb -0.08 0.52 -0.04 0.00 -3.07 0.00 0.00 36.82 34.15 1p7m h ILE 95 CO -0.06 0.19 0.53 0.40 -0.69 0.00 0.00 178.15 178.51 1p7m h ILE 96 N 0.70 1.18 -0.40 -0.67 1.08 -0.85 -1.02 117.51 117.54 1p7m h ILE 96 Ca 0.18 -0.37 -0.04 0.00 -0.39 0.00 0.00 64.86 64.24 1p7m h ILE 96 Cb 0.05 0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 33.80 1p7m h ILE 96 CO -0.03 0.19 0.06 1.23 -0.69 0.00 0.00 178.15 178.91 1p7m h GLY 97 N 1.06 0.65 0.77 5.37 0.00 -0.70 -2.22 103.07 108.00 1p7m h GLY 97 Ca 0.30 -0.37 0.07 0.00 0.00 0.00 0.00 47.33 47.34 1p7m h GLY 97 CO -0.08 0.34 0.61 3.43 0.00 0.00 0.00 176.54 180.85 1p7m h ASN 98 N 0.59 0.95 -0.14 0.19 -0.26 0.27 0.53 115.58 117.71 1p7m h ASN 98 Ca 0.13 0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.86 1p7m h ASN 98 Cb 0.28 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 37.35 1p7m h ASN 98 CO 0.00 0.60 -0.02 0.00 -1.06 0.00 0.00 177.43 176.95 1p7m h ALA 99 N 1.50 0.18 -0.72 -0.83 0.00 -1.20 -0.68 119.26 117.51 1p7m h ALA 99 Ca 0.42 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1p7m h ALA 99 Cb 0.23 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1p7m h ALA 99 CO -0.17 -0.09 0.31 0.00 0.00 0.00 0.00 179.25 179.30 1p7m h ARG 100 N -0.04 1.06 0.00 0.00 3.08 -1.12 -1.01 114.38 116.35 1p7m h ARG 100 Ca 0.04 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 1p7m h ARG 100 Cb 0.41 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1p7m h ARG 100 CO 0.01 0.85 -0.30 0.00 -1.07 0.00 0.00 179.97 179.46 1p7m h ALA 101 N 1.29 1.49 -0.51 0.04 0.00 0.21 -1.73 119.26 120.06 1p7m h ALA 101 Ca 0.25 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1p7m h ALA 101 Cb 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1p7m h ALA 101 CO -0.02 0.37 0.12 -0.92 0.00 0.00 0.00 179.25 178.80 1p7m h TYR 102 N 0.00 0.86 -0.28 0.00 3.20 0.21 -0.60 116.97 120.36 1p7m h TYR 102 Ca -0.00 -0.10 0.01 0.00 3.14 0.00 0.00 58.73 61.77 1p7m h TYR 102 Cb 0.53 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1p7m h TYR 102 CO 0.00 0.76 0.19 -0.07 -1.64 0.00 0.00 178.16 177.40 1p7m h LEU 103 N 0.71 0.31 -1.69 2.82 4.07 -0.84 0.20 115.31 120.89 1p7m h LEU 103 Ca 0.16 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 1p7m h LEU 103 Cb 0.34 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 1p7m h LEU 103 CO 0.00 0.23 0.07 1.56 -1.08 0.00 0.00 178.44 179.22 1p7m h GLN 104 N 0.37 0.27 -0.50 1.13 1.08 -0.29 0.68 115.11 117.86 1p7m h GLN 104 Ca 0.10 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.21 1p7m h GLN 104 Cb -0.03 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 1p7m h GLN 104 CO -0.02 0.24 0.05 0.52 -0.95 0.00 0.00 178.83 178.66 1p7m h MET 105 N 0.28 0.84 -0.23 1.46 2.86 -0.19 -1.74 114.93 118.21 1p7m h MET 105 Ca 0.07 -0.25 -0.17 0.00 -2.06 0.00 0.00 59.70 57.29 1p7m h MET 105 Cb 0.07 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1p7m h MET 105 CO -0.01 0.86 -0.54 0.93 1.06 0.00 0.00 176.91 179.21 1p7m h GLU 106 N 0.71 0.77 -0.31 1.72 5.08 -0.85 0.31 114.58 122.01 1p7m h GLU 106 Ca 0.15 -0.52 0.09 0.00 -1.00 0.00 0.00 59.36 58.07 1p7m h GLU 106 Cb 0.45 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1p7m h GLU 106 CO 0.02 1.15 0.29 1.96 -1.00 0.00 0.00 179.01 181.43 1p7m h GLN 107 N 0.50 0.00 -0.00 2.33 1.08 0.51 1.49 115.11 121.02 1p7m h GLN 107 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1p7m h GLN 107 Cb 1.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 1p7m h GLN 107 CO 0.12 0.00 -0.77 -1.71 -0.95 0.00 0.00 178.83 175.52 1p7m n ASN 108 N -3.93 1.00 -1.19 1.46 2.85 -0.67 -4.95 115.26 109.83 1p7m n ASN 108 Ca 0.05 -0.86 -0.12 0.00 -0.11 0.00 0.00 54.58 53.54 1p7m n ASN 108 Cb 0.45 0.70 -0.02 0.00 1.24 0.00 0.00 39.78 42.15 1p7m n ASN 108 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1p7m n GLY 109 N 1.48 0.35 3.06 8.20 0.00 0.51 -4.98 105.19 113.81 1p7m n GLY 109 Ca 0.05 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 1p7m n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p7m s GLU 110 N -4.05 1.74 0.76 1.61 0.41 0.75 -4.96 118.70 114.95 1p7m s GLU 110 Ca 0.00 -1.79 -0.15 0.00 -0.41 0.00 0.00 54.97 52.61 1p7m s GLU 110 Cb 0.00 -3.30 0.02 0.00 -1.78 0.00 0.00 34.13 29.06 1p7m s GLU 110 CO 0.00 -0.94 0.88 -2.30 -0.49 0.00 0.00 175.26 172.41 1p7m n PRO 111 N 4.39 0.34 -0.13 0.39 -0.02 -1.26 -4.53 135.00 134.17 1p7m n PRO 111 Ca -0.00 0.17 -0.09 0.00 -2.02 0.00 0.00 63.50 61.56 1p7m n PRO 111 Cb 0.42 -2.16 -0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1p7m n PRO 111 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1p7m h PHE 112 N -0.51 0.57 0.00 6.00 3.57 -1.95 -2.55 116.94 122.07 1p7m h PHE 112 Ca -0.46 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 60.94 1p7m h PHE 112 Cb 1.33 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 1p7m h PHE 112 CO 0.40 0.47 -0.36 0.00 -2.23 0.00 0.00 178.31 176.59 1p7m h ALA 113 N 1.05 1.15 0.13 2.41 0.00 -1.87 -2.92 119.26 119.21 1p7m h ALA 113 Ca 0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1p7m h ALA 113 Cb 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1p7m h ALA 113 CO -0.02 0.45 -0.06 0.22 0.00 0.00 0.00 179.25 179.83 1p7m h ASP 114 N 0.00 -0.15 -0.55 0.00 1.82 -1.81 -2.32 116.42 113.41 1p7m h ASP 114 Ca -0.00 -0.38 -0.11 0.00 -0.39 0.00 0.00 57.03 56.14 1p7m h ASP 114 Cb 0.76 0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.79 1p7m h ASP 114 CO 0.05 0.35 -0.11 2.19 -1.61 0.00 0.00 179.24 180.11 1p7m h PHE 115 N -0.71 1.16 -0.07 0.28 -0.00 -1.57 -2.58 116.94 113.46 1p7m h PHE 115 Ca -0.02 -0.24 -0.01 0.00 -0.00 0.00 0.00 57.97 57.70 1p7m h PHE 115 Cb 0.52 -0.29 -0.00 0.00 -0.00 0.00 0.00 35.95 36.18 1p7m h PHE 115 CO 0.08 1.07 0.00 -0.24 -0.00 0.00 0.00 178.31 179.22 1p7m h VAL 116 N 0.92 1.24 -0.19 0.88 3.04 -1.60 -1.76 116.25 118.77 1p7m h VAL 116 Ca 0.14 -0.74 0.06 0.00 -1.01 0.00 0.00 66.70 65.15 1p7m h VAL 116 Cb 0.68 1.60 -0.01 0.00 -2.01 0.00 0.00 31.29 31.55 1p7m h VAL 116 CO 0.05 0.20 0.22 -0.50 -1.01 0.00 0.00 177.57 176.53 1p7m h TRP 117 N -0.16 0.00 -0.25 3.17 -0.00 -1.41 -1.20 115.95 116.10 1p7m h TRP 117 Ca 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.86 1p7m h TRP 117 Cb 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.47 1p7m h TRP 117 CO 0.03 0.00 -0.05 1.03 -0.00 0.00 0.00 178.44 179.45 1p7m h SER 118 N 0.00 0.48 -0.07 -3.49 0.87 -0.90 1.75 113.55 112.18 1p7m h SER 118 Ca 0.09 -0.35 -0.03 0.00 -1.23 0.00 0.00 61.79 60.26 1p7m h SER 118 Cb 0.53 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1p7m h SER 118 CO -0.00 0.72 -0.04 -0.26 -0.53 0.00 0.00 176.83 176.72 1p7m h PHE 119 N 0.23 0.28 -0.29 2.24 0.04 -1.01 -1.04 116.94 117.39 1p7m h PHE 119 Ca 0.07 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1p7m h PHE 119 Cb 0.51 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.57 1p7m h PHE 119 CO 0.05 0.32 0.00 0.28 -0.60 0.00 0.00 178.31 178.36 1p7m n VAL 120 N -4.35 1.21 -3.62 -0.55 0.31 -1.12 -4.78 118.33 105.44 1p7m n VAL 120 Ca -0.00 -0.65 -0.24 0.00 -0.01 0.00 0.00 64.34 63.43 1p7m n VAL 120 Cb 0.21 -0.29 0.07 0.00 -0.91 0.00 0.00 33.84 32.92 1p7m n VAL 120 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1p7m n ASN 121 N 0.35 -6.02 -1.93 4.52 3.02 -0.39 -1.63 115.26 113.17 1p7m n ASN 121 Ca 0.13 -0.57 -0.04 0.00 -0.03 0.00 0.00 54.58 54.08 1p7m n ASN 121 Cb 0.65 -4.93 -0.01 0.00 -0.61 0.00 0.00 39.78 34.89 1p7m n ASN 121 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1p7m n HIS 122 N -4.94 -1.43 -4.03 3.10 8.25 0.59 -4.85 115.22 111.90 1p7m n HIS 122 Ca -0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.37 1p7m n HIS 122 Cb 0.56 -1.49 -0.11 0.00 1.12 0.00 0.00 29.99 30.08 1p7m n HIS 122 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1p7m s GLN 123 N -3.93 0.46 0.57 -0.41 -2.07 -0.65 -5.07 119.66 108.57 1p7m s GLN 123 Ca 0.00 -0.90 -0.18 0.00 -1.82 0.00 0.00 55.36 52.47 1p7m s GLN 123 Cb 0.00 0.14 -0.04 0.00 -1.09 0.00 0.00 33.01 32.01 1p7m s GLN 123 CO 0.00 -0.07 1.09 -1.25 -1.32 0.00 0.00 175.29 173.74 1p7m s PRO 124 N -2.60 3.28 -0.17 9.60 0.04 -1.26 -4.81 135.00 139.08 1p7m s PRO 124 Ca -0.05 1.42 -0.04 0.00 0.04 0.00 0.00 61.00 62.37 1p7m s PRO 124 Cb -0.02 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 1p7m s PRO 124 CO -0.05 -0.87 -0.03 -1.14 0.04 0.00 0.00 177.00 174.95 1p7m s GLN 125 N -3.65 3.62 -0.28 4.56 -0.44 0.18 -4.99 119.66 118.66 1p7m s GLN 125 Ca 0.68 -0.54 -0.19 0.00 -2.50 0.00 0.00 55.36 52.81 1p7m s GLN 125 Cb -0.20 -2.95 -0.02 0.00 -1.64 0.00 0.00 33.01 28.21 1p7m s GLN 125 CO 0.32 0.15 0.59 -1.64 0.50 0.00 0.00 175.29 175.20 1p7m s MET 126 N 0.61 3.98 -0.32 1.67 -1.94 -1.26 -0.97 119.30 121.06 1p7m s MET 126 Ca -0.02 0.33 -0.22 0.00 -1.71 0.00 0.00 55.69 54.06 1p7m s MET 126 Cb -0.14 -3.69 0.00 0.00 2.01 0.00 0.00 34.83 33.01 1p7m s MET 126 CO 0.02 -0.47 0.74 0.99 -0.01 0.00 0.00 175.02 176.29 1p7m s THR 127 N 2.48 4.82 -1.39 2.05 2.01 -0.58 -4.89 115.64 120.14 1p7m s THR 127 Ca 0.24 0.98 0.13 0.00 0.31 0.00 0.00 61.69 63.35 1p7m s THR 127 Cb -0.15 -4.12 0.50 0.00 0.01 0.00 0.00 72.50 68.74 1p7m s THR 127 CO 0.10 -0.28 1.37 0.00 -0.69 0.00 0.00 174.62 175.13 1p7m n GLN 128 N 6.17 2.80 -2.18 4.92 6.02 -1.26 -4.53 117.38 129.31 1p7m n GLN 128 Ca 0.02 -1.99 -0.41 0.00 -0.01 0.00 0.00 57.00 54.61 1p7m n GLN 128 Cb 0.48 -1.65 -0.03 0.00 1.02 0.00 0.00 30.24 30.06 1p7m n GLN 128 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1p7m s ALA 129 N -1.68 3.52 -0.14 -1.58 0.00 -1.26 -4.91 121.76 115.71 1p7m s ALA 129 Ca 0.36 1.16 0.20 0.00 0.00 0.00 0.00 51.96 53.68 1p7m s ALA 129 Cb 0.22 -3.48 -0.15 0.00 0.00 0.00 0.00 23.12 19.71 1p7m s ALA 129 CO 0.18 -0.56 0.74 0.25 0.00 0.00 0.00 175.76 176.37 1p7m n THR 130 N 1.95 0.70 -4.25 0.00 -2.24 -1.26 -3.72 114.28 105.46 1p7m n THR 130 Ca 0.04 -0.61 -0.14 0.00 -2.27 0.00 0.00 64.05 61.07 1p7m n THR 130 Cb 0.42 -0.38 -0.10 0.00 -2.10 0.00 0.00 70.33 68.17 1p7m n THR 130 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1p7m s THR 131 N -3.19 0.84 0.26 4.28 -4.23 -1.26 -4.78 115.64 107.56 1p7m s THR 131 Ca -0.04 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.43 1p7m s THR 131 Cb 0.10 -2.03 0.26 0.00 1.34 0.00 0.00 72.50 72.17 1p7m s THR 131 CO 0.83 -0.57 1.92 -0.07 -0.54 0.00 0.00 174.62 176.20 1p7m h LEU 132 N 2.72 1.09 -1.63 4.79 3.38 -1.92 -0.92 115.31 122.82 1p7m h LEU 132 Ca -0.37 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 1p7m h LEU 132 Cb 1.20 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1p7m h LEU 132 CO 0.63 0.76 0.17 -1.28 0.09 0.00 0.00 178.44 178.82 1p7m h SER 133 N 1.27 0.37 -0.02 -0.43 0.87 -2.00 0.15 113.55 113.75 1p7m h SER 133 Ca 0.38 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 1p7m h SER 133 Cb -0.06 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1p7m h SER 133 CO -0.10 0.30 0.00 -0.62 -0.53 0.00 0.00 176.83 175.88 1p7m n GLU 134 N -4.46 1.14 -3.61 2.24 -0.58 -0.38 -4.80 120.64 110.20 1p7m n GLU 134 Ca 0.02 -0.21 -0.36 0.00 -0.42 0.00 0.00 57.16 56.19 1p7m n GLU 134 Cb 0.09 -1.38 -0.06 0.00 -0.57 0.00 0.00 31.44 29.53 1p7m n GLU 134 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1p7m s ILE 135 N -1.97 5.14 0.37 -3.67 2.07 0.52 -4.60 121.20 119.05 1p7m s ILE 135 Ca 0.35 0.52 -0.26 0.00 -1.41 0.00 0.00 60.65 59.85 1p7m s ILE 135 Cb 0.17 -3.63 -0.09 0.00 0.13 0.00 0.00 42.46 39.04 1p7m s ILE 135 CO 0.28 0.43 1.12 -2.16 -1.91 0.00 0.00 174.94 172.69 1p7m s PRO 136 N -1.53 4.24 0.00 3.50 0.04 -1.26 -4.94 135.00 135.04 1p7m s PRO 136 Ca 0.27 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1p7m s PRO 136 Cb -0.15 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1p7m s PRO 136 CO 0.15 -0.13 0.53 -2.37 0.04 0.00 0.00 177.00 175.22 1p7m n THR 137 N 0.31 0.21 -3.11 1.26 5.66 -1.26 -4.88 114.28 112.47 1p7m n THR 137 Ca 0.03 -0.50 -0.08 0.00 -3.05 0.00 0.00 64.05 60.44 1p7m n THR 137 Cb 0.47 1.04 -0.03 0.00 -1.55 0.00 0.00 70.33 70.26 1p7m n THR 137 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1p7m s SER 138 N -0.21 -0.51 0.37 1.09 1.04 -1.26 -4.64 113.70 109.58 1p7m s SER 138 Ca 0.00 -1.59 0.08 0.00 0.48 0.00 0.00 55.95 54.91 1p7m s SER 138 Cb 0.00 1.32 -0.04 0.00 0.10 0.00 0.00 66.02 67.40 1p7m s SER 138 CO 0.00 -0.15 0.22 0.42 0.98 0.00 0.00 173.24 174.71 1p7m s THR 139 N 1.18 2.92 0.28 2.02 -4.23 -1.26 -4.89 115.64 111.66 1p7m s THR 139 Ca 0.23 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.19 1p7m s THR 139 Cb -0.04 -3.02 0.26 0.00 1.34 0.00 0.00 72.50 71.04 1p7m s THR 139 CO -0.07 -0.11 1.78 -0.65 -0.54 0.00 0.00 174.62 175.02 1p7m h PRO 140 N 1.37 0.69 -0.39 3.99 0.11 -2.00 0.70 132.00 136.47 1p7m h PRO 140 Ca -0.43 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 1p7m h PRO 140 Cb 1.26 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1p7m h PRO 140 CO 0.62 0.46 -0.20 0.00 -0.21 0.00 0.00 178.00 178.68 1p7m h ALA 141 N 1.58 0.55 -0.28 -0.75 0.00 -1.95 0.81 119.26 119.23 1p7m h ALA 141 Ca 0.50 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1p7m h ALA 141 Cb 0.71 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1p7m h ALA 141 CO -0.36 0.51 -0.03 0.66 0.00 0.00 0.00 179.25 180.03 1p7m h SER 142 N 0.64 0.50 -0.67 0.00 4.64 -1.43 -1.02 113.55 116.20 1p7m h SER 142 Ca 0.09 -0.34 -0.07 0.00 -0.47 0.00 0.00 61.79 61.01 1p7m h SER 142 Cb 0.75 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.68 1p7m h SER 142 CO 0.06 0.72 0.17 -0.78 -0.87 0.00 0.00 176.83 176.13 1p7m h ASP 143 N 0.28 1.02 0.33 4.97 1.82 0.41 -2.24 116.42 123.01 1p7m h ASP 143 Ca 0.07 -0.23 -0.09 0.00 -0.39 0.00 0.00 57.03 56.40 1p7m h ASP 143 Cb 0.48 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.21 1p7m h ASP 143 CO 0.02 0.98 -0.38 0.00 -1.61 0.00 0.00 179.24 178.26 1p7m h ALA 144 N 1.07 1.30 -0.34 -0.78 0.00 -0.72 -2.92 119.26 116.86 1p7m h ALA 144 Ca 0.21 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1p7m h ALA 144 Cb 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1p7m h ALA 144 CO 0.00 0.51 -0.26 1.25 0.00 0.00 0.00 179.25 180.75 1p7m h LEU 145 N 0.07 0.82 0.02 0.00 5.85 -0.70 -1.36 115.31 120.02 1p7m h LEU 145 Ca 0.01 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 1p7m h LEU 145 Cb 0.70 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1p7m h LEU 145 CO 0.05 1.09 -0.01 0.28 -0.34 0.00 0.00 178.44 179.51 1p7m h SER 146 N 0.56 -0.03 -0.28 1.25 0.02 -1.26 0.45 113.55 114.25 1p7m h SER 146 Ca 0.06 -0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 60.76 1p7m h SER 146 Cb 0.82 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 1p7m h SER 146 CO 0.07 0.16 -0.08 0.07 -1.14 0.00 0.00 176.83 175.91 1p7m h LYS 147 N -0.22 0.68 0.02 3.45 2.10 -1.56 0.13 116.57 121.17 1p7m h LYS 147 Ca -0.00 -0.20 -0.00 0.00 -2.00 0.00 0.00 60.65 58.44 1p7m h LYS 147 Cb 0.20 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 1p7m h LYS 147 CO 0.01 0.75 -0.01 0.00 -2.00 0.00 0.00 179.45 178.20 1p7m h ALA 148 N 1.29 -0.03 -0.49 0.07 0.00 -1.03 -2.49 119.26 116.56 1p7m h ALA 148 Ca 0.11 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1p7m h ALA 148 Cb 0.51 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1p7m h ALA 148 CO 0.03 -0.26 0.11 -0.07 0.00 0.00 0.00 179.25 179.06 1p7m h LEU 149 N -0.54 0.70 -1.12 0.00 3.38 -0.02 -1.99 115.31 115.72 1p7m h LEU 149 Ca -0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1p7m h LEU 149 Cb 0.51 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1p7m h LEU 149 CO 0.01 0.70 0.52 0.50 0.09 0.00 0.00 178.44 180.26 1p7m h LYS 150 N 0.73 1.11 -0.32 1.13 3.64 -0.71 -1.16 116.57 121.00 1p7m h LYS 150 Ca 0.16 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1p7m h LYS 150 Cb 0.29 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1p7m h LYS 150 CO -0.00 0.76 0.07 0.87 -2.27 0.00 0.00 179.45 178.88 1p7m h LYS 151 N 1.14 0.46 0.00 1.90 1.79 -0.89 -0.04 116.57 120.93 1p7m h LYS 151 Ca 0.30 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 1p7m h LYS 151 Cb -0.08 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.49 1p7m h LYS 151 CO -0.06 0.43 0.00 0.54 -1.08 0.00 0.00 179.45 179.28 1p7m n ARG 152 N -4.36 0.53 -1.50 3.15 5.12 -0.47 -4.75 116.66 114.38 1p7m n ARG 152 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1p7m n ARG 152 Cb 0.18 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.17 1p7m n ARG 152 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1p7m n GLY 153 N 0.04 0.51 3.56 -0.13 0.00 -0.03 -4.38 105.19 104.77 1p7m n GLY 153 Ca 0.08 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 1p7m n GLY 153 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p7m s PHE 154 N -2.00 3.19 0.53 1.61 0.08 -1.04 -4.66 117.98 115.69 1p7m s PHE 154 Ca 0.00 0.18 0.01 0.00 0.12 0.00 0.00 56.93 57.24 1p7m s PHE 154 Cb 0.00 -2.84 0.03 0.00 -0.57 0.00 0.00 43.02 39.64 1p7m s PHE 154 CO 0.00 -0.48 0.75 0.15 -0.10 0.00 0.00 175.22 175.54 1p7m s LYS 155 N 2.29 2.64 -1.17 0.44 1.02 -1.26 -4.31 119.74 119.38 1p7m s LYS 155 Ca 0.17 -0.74 -0.06 0.00 0.02 0.00 0.00 55.97 55.36 1p7m s LYS 155 Cb -0.16 -2.51 -0.02 0.00 -0.52 0.00 0.00 37.83 34.62 1p7m s LYS 155 CO 0.12 -0.63 0.84 1.19 -0.92 0.00 0.00 175.35 175.96 1p7m n PHE 156 N -2.29 -2.14 -2.70 3.18 3.01 -1.26 -4.92 117.46 110.34 1p7m n PHE 156 Ca 0.07 0.79 -0.07 0.00 1.01 0.00 0.00 57.45 59.25 1p7m n PHE 156 Cb 0.59 -4.25 0.04 0.00 -0.01 0.00 0.00 39.48 35.85 1p7m n PHE 156 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 1p7m n VAL 157 N -3.90 0.94 -0.35 -4.37 3.14 -1.26 -4.16 118.33 108.38 1p7m n VAL 157 Ca -0.19 -2.85 -0.26 0.00 -2.96 0.00 0.00 64.34 58.08 1p7m n VAL 157 Cb 0.64 0.84 0.25 0.00 -1.06 0.00 0.00 33.84 34.50 1p7m n VAL 157 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1p7m n GLY 158 N -0.25 -3.70 0.29 7.55 0.00 -1.26 -4.57 105.19 103.25 1p7m n GLY 158 Ca 0.07 -1.32 0.04 0.00 0.00 0.00 0.00 46.02 44.80 1p7m n GLY 158 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1p7m h THR 159 N -3.26 1.12 -0.28 2.61 2.02 -1.94 -1.22 112.91 111.96 1p7m h THR 159 Ca -0.34 -0.33 -0.11 0.00 0.77 0.00 0.00 66.41 66.40 1p7m h THR 159 Cb 1.13 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1p7m h THR 159 CO 0.21 0.13 -0.27 0.71 0.37 0.00 0.00 175.52 176.67 1p7m h THR 160 N 0.45 1.27 -0.50 3.16 1.35 -1.89 -0.88 112.91 115.87 1p7m h THR 160 Ca 0.12 -1.34 -0.07 0.00 -0.55 0.00 0.00 66.41 64.57 1p7m h THR 160 Cb 0.05 1.36 -0.02 0.00 -1.73 0.00 0.00 68.15 67.81 1p7m h THR 160 CO -0.02 0.43 0.05 0.40 -0.25 0.00 0.00 175.52 176.13 1p7m h ILE 161 N 0.48 1.26 -0.66 6.82 1.08 -1.55 0.14 117.51 125.08 1p7m h ILE 161 Ca 0.07 -0.99 -0.05 0.00 -0.39 0.00 0.00 64.86 63.50 1p7m h ILE 161 Cb 0.72 0.92 -0.03 0.00 -3.07 0.00 0.00 36.82 35.36 1p7m h ILE 161 CO 0.06 0.35 0.22 0.00 -0.69 0.00 0.00 178.15 178.08 1p7m h TYR 163 N 0.96 0.63 -0.61 0.00 3.20 -0.91 -2.35 116.97 117.89 1p7m h TYR 163 Ca 0.22 -0.22 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 1p7m h TYR 163 Cb 0.28 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1p7m h TYR 163 CO 0.02 0.94 0.07 0.77 -1.64 0.00 0.00 178.16 178.32 1p7m h SER 164 N 0.14 0.97 -0.04 -2.11 0.02 -0.60 -0.80 113.55 111.13 1p7m h SER 164 Ca 0.01 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1p7m h SER 164 Cb 0.90 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 1p7m h SER 164 CO 0.07 0.99 0.02 0.15 -1.14 0.00 0.00 176.83 176.92 1p7m h PHE 165 N 0.95 0.04 -0.24 3.45 3.57 -0.50 0.07 116.94 124.28 1p7m h PHE 165 Ca 0.19 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.50 1p7m h PHE 165 Cb 0.45 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 1p7m h PHE 165 CO 0.03 0.04 -0.57 0.00 -2.23 0.00 0.00 178.31 175.58 1p7m h MET 166 N 0.04 0.76 -0.64 1.11 -0.00 -1.33 0.37 114.93 115.24 1p7m h MET 166 Ca 0.01 -0.50 -0.03 0.00 -0.00 0.00 0.00 59.70 59.19 1p7m h MET 166 Cb 0.01 0.06 -0.03 0.00 -0.00 0.00 0.00 31.60 31.64 1p7m h MET 166 CO -0.00 1.12 0.30 0.37 -0.00 0.00 0.00 176.91 178.69 1p7m h GLN 167 N 0.58 0.93 0.00 -0.10 -0.00 -0.98 -2.39 115.11 113.14 1p7m h GLN 167 Ca 0.01 -0.14 -0.21 0.00 -0.00 0.00 0.00 58.65 58.30 1p7m h GLN 167 Cb 1.16 -0.16 -0.04 0.00 0.00 0.00 0.00 27.48 28.44 1p7m h GLN 167 CO 0.12 0.75 -1.45 0.00 0.00 0.00 0.00 178.83 178.25 1p7m h ALA 168 N 1.13 0.69 0.00 3.38 0.00 -0.96 -3.33 119.26 120.16 1p7m h ALA 168 Ca 0.22 -1.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.06 1p7m h ALA 168 Cb 0.14 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1p7m h ALA 168 CO -0.03 1.17 -0.00 0.00 0.00 0.00 0.00 179.25 180.39 1p7m n GLY 170 N -1.03 0.70 0.27 0.00 0.00 -1.17 -3.78 105.19 100.17 1p7m n GLY 170 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.00 1p7m n GLY 170 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1p7m h LEU 171 N 0.00 0.45 -8.60 0.99 3.38 -1.69 -3.42 115.31 106.42 1p7m h LEU 171 Ca 0.00 -0.07 -0.69 0.00 0.09 0.00 0.00 57.88 57.20 1p7m h LEU 171 Cb 0.00 -0.12 -0.30 0.00 0.09 0.00 0.00 40.66 40.34 1p7m h LEU 171 CO 0.00 0.50 -0.87 0.68 0.09 0.00 0.00 178.44 178.84 1p7m s VAL 172 N -5.02 2.20 0.31 1.22 -7.23 -1.21 -0.65 120.40 110.02 1p7m s VAL 172 Ca -0.07 -1.04 0.09 0.00 -1.81 0.00 0.00 61.98 59.15 1p7m s VAL 172 Cb 0.16 -1.79 -0.05 0.00 0.56 0.00 0.00 36.38 35.26 1p7m s VAL 172 CO 0.76 0.58 0.00 0.20 -0.31 0.00 0.00 175.10 176.33 1p7m s ASN 173 N -0.44 4.28 0.00 4.85 0.01 -0.14 -4.87 114.94 118.62 1p7m s ASN 173 Ca 0.05 -0.88 0.00 0.00 -0.71 0.00 0.00 52.86 51.32 1p7m s ASN 173 Cb -0.12 -0.62 0.00 0.00 0.41 0.00 0.00 41.25 40.93 1p7m s ASN 173 CO 0.01 -0.16 0.00 -0.67 -1.51 0.00 0.00 177.10 174.77 1p7m n ASP 174 N -0.93 -1.39 0.07 -1.22 2.03 -1.26 -1.52 116.55 112.33 1p7m n ASP 174 Ca -0.05 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.15 1p7m n ASP 174 Cb 0.61 -0.70 -0.05 0.00 -0.72 0.00 0.00 41.12 40.27 1p7m n ASP 174 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1p7m h HIS 175 N 0.00 -0.52 -0.22 -0.67 3.86 -1.91 -3.36 115.15 112.33 1p7m h HIS 175 Ca 0.00 0.01 -0.20 0.00 -1.16 0.00 0.00 60.37 59.02 1p7m h HIS 175 Cb 0.18 0.23 -0.30 0.00 1.06 0.00 0.00 27.41 28.57 1p7m h HIS 175 CO 0.00 -0.28 -0.80 1.33 0.86 0.00 0.00 177.93 179.04 1p7m n VAL 176 N -5.33 0.65 -2.24 2.45 0.24 -1.26 -4.84 118.33 108.00 1p7m n VAL 176 Ca -0.05 -1.91 0.00 0.00 -2.04 0.00 0.00 64.34 60.33 1p7m n VAL 176 Cb 0.24 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 1p7m n VAL 176 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1p7m n VAL 177 N -0.72-13.02 -3.60 3.34 0.31 -1.24 -4.58 118.33 98.83 1p7m n VAL 177 Ca -0.03 3.09 -0.20 0.00 -0.01 0.00 0.00 64.34 67.18 1p7m n VAL 177 Cb 0.86 -5.89 0.00 0.00 -0.91 0.00 0.00 33.84 27.90 1p7m n VAL 177 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p7m n GLY 178 N 1.76 -1.18 3.48 2.92 0.00 -1.26 -4.87 105.19 106.04 1p7m n GLY 178 Ca 0.00 0.64 -0.43 0.00 0.00 0.00 0.00 46.02 46.23 1p7m n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p7m s TYR 182 N 0.03 2.55 0.52 0.00 1.13 -0.92 -4.96 117.35 115.71 1p7m s TYR 182 Ca 0.03 1.55 -0.22 0.00 -1.41 0.00 0.00 57.07 57.02 1p7m s TYR 182 Cb 0.08 -3.30 -0.06 0.00 -1.10 0.00 0.00 41.96 37.58 1p7m s TYR 182 CO -0.02 -1.82 1.35 -0.35 -2.51 0.00 0.00 175.55 172.20 1p7m n PRO 183 N -1.87 1.77 0.00 -3.49 -0.04 -1.26 -4.74 135.00 125.37 1p7m n PRO 183 Ca 0.12 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 1p7m n PRO 183 Cb 0.51 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 1p7m n PRO 183 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1p7m n GLY 184 N 0.75 0.07 0.10 0.55 0.00 -1.26 -4.94 105.19 100.46 1p7m n GLY 184 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 1p7m n GLY 184 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p7m n ASN 185 N 0.00 1.66 -3.71 1.61 3.02 -1.26 -5.00 115.26 111.58 1p7m n ASN 185 Ca 0.00 -0.06 -0.21 0.00 -0.03 0.00 0.00 54.58 54.28 1p7m n ASN 185 Cb 0.00 0.24 0.01 0.00 -0.61 0.00 0.00 39.78 39.41 1p7m n ASN 185 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1p7m n LYS 186 N -2.89 -0.67 0.00 3.52 5.02 -1.26 -5.32 118.16 116.56 1p7m n LYS 186 Ca -0.33 -0.08 0.10 0.00 -2.02 0.00 0.00 58.31 55.99 1p7m n LYS 186 Cb 0.97 -0.84 0.61 0.00 -0.02 0.00 0.00 35.03 35.75 1p7m n LYS 186 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53