#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 3.24 0.91 0.03 2.12 -1.26 -4.80 118.70 118.93 1p7m s GLU 2 Ca 0.00 -0.42 -0.11 0.00 0.36 0.00 0.00 54.97 54.80 1p7m s GLU 2 Cb 0.00 -2.97 0.14 0.00 0.26 0.00 0.00 34.13 31.56 1p7m s GLU 2 CO 0.00 0.65 1.12 1.03 -0.54 0.00 0.00 175.26 177.52 1p7m s ARG 3 N -1.92 1.12 0.74 4.30 0.52 -1.26 -2.52 118.95 119.93 1p7m s ARG 3 Ca 0.26 1.34 -0.15 0.00 -0.52 0.00 0.00 55.73 56.66 1p7m s ARG 3 Cb -0.12 -1.75 0.04 0.00 0.52 0.00 0.00 34.95 33.63 1p7m s ARG 3 CO 0.17 -2.49 1.22 0.00 0.02 0.00 0.00 175.30 174.22 1p7m h GLY 5 N -0.33 0.56 -0.12 0.00 0.00 -1.95 -0.99 103.07 100.24 1p7m h GLY 5 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1p7m h GLY 5 CO 0.49 -0.10 -0.02 -2.67 0.00 0.00 0.00 176.54 174.24 1p7m n TRP 6 N -5.16 0.00 0.06 5.60 2.14 -1.26 -3.85 117.44 114.96 1p7m n TRP 6 Ca 0.05 0.00 -0.21 0.00 2.07 0.00 0.00 57.50 59.42 1p7m n TRP 6 Cb 0.25 -0.02 -0.12 0.00 -0.81 0.00 0.00 31.31 30.62 1p7m n TRP 6 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 1p7m h VAL 7 N 1.81 1.32 0.00 -1.67 2.07 -1.52 -2.90 116.25 115.36 1p7m h VAL 7 Ca 0.00 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1p7m h VAL 7 Cb 0.41 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 1p7m h VAL 7 CO 0.00 0.70 0.00 -1.54 0.02 0.00 0.00 177.57 176.75 1p7m n SER 8 N -3.91 0.00 -0.24 0.57 3.41 -1.16 -3.13 113.62 109.16 1p7m n SER 8 Ca -0.12 -0.08 -0.05 0.00 -0.26 0.00 0.00 58.87 58.35 1p7m n SER 8 Cb 0.89 -0.23 0.05 0.00 -0.26 0.00 0.00 64.21 64.66 1p7m n SER 8 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1p7m h GLN 9 N 0.00 0.92 -2.76 4.33 5.75 -1.67 -3.46 115.11 118.22 1p7m h GLN 9 Ca 0.00 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.43 1p7m h GLN 9 Cb 0.14 -0.20 -0.13 0.00 1.07 0.00 0.00 27.48 28.36 1p7m h GLN 9 CO 0.00 0.64 0.28 -0.51 -2.65 0.00 0.00 178.83 176.59 1p7m s ASP 10 N -5.89 -0.53 0.32 -0.69 1.11 -1.19 -5.04 116.67 104.77 1p7m s ASP 10 Ca -0.13 0.04 0.03 0.00 0.18 0.00 0.00 52.55 52.67 1p7m s ASP 10 Cb 0.14 0.54 0.56 0.00 1.07 0.00 0.00 42.92 45.23 1p7m s ASP 10 CO 0.78 -0.86 1.88 1.55 1.18 0.00 0.00 175.17 179.70 1p7m h PRO 11 N 2.06 0.65 -0.86 8.23 0.13 -1.89 -2.74 132.00 137.59 1p7m h PRO 11 Ca -0.31 -0.12 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 1p7m h PRO 11 Cb 1.28 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 1p7m h PRO 11 CO 0.36 0.60 0.45 -0.07 -0.23 0.00 0.00 178.00 179.11 1p7m h LEU 12 N 0.63 1.09 -0.68 1.56 3.38 -1.96 -2.17 115.31 117.15 1p7m h LEU 12 Ca 0.14 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1p7m h LEU 12 Cb 0.26 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1p7m h LEU 12 CO -0.00 0.89 0.18 1.88 0.09 0.00 0.00 178.44 181.47 1p7m h TYR 13 N 1.21 1.14 -1.01 1.13 0.05 -1.78 -2.71 116.97 115.00 1p7m h TYR 13 Ca 0.30 -0.13 0.08 0.00 0.05 0.00 0.00 58.73 59.02 1p7m h TYR 13 Cb 0.06 -0.32 -0.07 0.00 1.01 0.00 0.00 36.73 37.41 1p7m h TYR 13 CO 0.01 0.93 0.65 0.82 -1.05 0.00 0.00 178.16 179.52 1p7m h ILE 14 N 1.02 1.06 -0.23 -2.88 2.04 -1.25 0.33 117.51 117.60 1p7m h ILE 14 Ca 0.22 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 1p7m h ILE 14 Cb 0.36 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 1p7m h ILE 14 CO 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 178.15 178.34 1p7m h ALA 15 N 1.47 0.31 -0.64 1.87 0.00 -1.21 0.19 119.26 121.25 1p7m h ALA 15 Ca 0.45 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1p7m h ALA 15 Cb 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1p7m h ALA 15 CO -0.19 0.06 0.06 -0.92 0.00 0.00 0.00 179.25 178.25 1p7m h TYR 16 N 0.17 1.18 -0.08 0.00 3.20 -1.16 -2.02 116.97 118.26 1p7m h TYR 16 Ca 0.06 -0.18 -0.19 0.00 3.14 0.00 0.00 58.73 61.56 1p7m h TYR 16 Cb 0.45 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 1p7m h TYR 16 CO 0.04 1.01 -0.74 1.25 -1.64 0.00 0.00 178.16 178.08 1p7m h HIS 17 N 1.01 0.60 -0.00 -3.82 2.76 -0.28 -3.16 115.15 112.26 1p7m h HIS 17 Ca 0.19 -0.27 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 1p7m h HIS 17 Cb 0.50 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.37 1p7m h HIS 17 CO 0.04 1.04 -0.02 -0.25 -1.30 0.00 0.00 177.93 177.43 1p7m n ASP 18 N -3.84 0.03 -0.06 3.26 8.00 0.65 -4.15 116.55 120.43 1p7m n ASP 18 Ca -0.05 0.27 -0.05 0.00 0.71 0.00 0.00 54.79 55.68 1p7m n ASP 18 Cb 0.72 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 1p7m n ASP 18 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1p7m h ASN 19 N 0.02 0.00 0.00 -2.24 7.08 -1.32 -3.48 115.58 115.63 1p7m h ASN 19 Ca 0.00 -0.16 0.00 0.00 -3.08 0.00 0.00 56.30 53.06 1p7m h ASN 19 Cb 0.44 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.68 1p7m h ASN 19 CO 0.00 0.72 0.00 -0.62 -2.08 0.00 0.00 177.43 175.45 1p7m n GLU 20 N -4.68 0.00 -0.33 4.14 1.02 -1.25 -4.99 120.64 114.56 1p7m n GLU 20 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1p7m n GLU 20 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.62 1p7m n GLU 20 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1p7m n TRP 21 N -2.91 0.00 0.00 -0.32 -0.00 -1.25 -0.94 117.44 112.02 1p7m n TRP 21 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1p7m n TRP 21 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 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 -0.07 0.64 0.04 5.87 0.00 -1.26 -4.97 105.19 105.43 1p7m n GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1p7m n GLY 22 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1p7m n VAL 23 N 0.00 0.31 -2.75 1.61 0.24 -0.12 -4.84 118.33 112.78 1p7m n VAL 23 Ca 0.00 -0.65 -0.33 0.00 -2.04 0.00 0.00 64.34 61.32 1p7m n VAL 23 Cb 0.00 0.86 -0.06 0.00 -1.47 0.00 0.00 33.84 33.16 1p7m n VAL 23 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1p7m s PRO 24 N -0.36 4.18 0.43 7.34 0.04 -1.26 -5.02 135.00 140.35 1p7m s PRO 24 Ca 0.01 1.10 0.06 0.00 0.04 0.00 0.00 61.00 62.21 1p7m s PRO 24 Cb 0.01 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1p7m s PRO 24 CO 0.01 -0.07 0.60 -1.83 0.04 0.00 0.00 177.00 175.75 1p7m s GLU 25 N -3.32 2.86 -0.30 4.56 -1.05 -1.25 -3.80 118.70 116.41 1p7m s GLU 25 Ca 0.62 -1.03 -0.19 0.00 -0.15 0.00 0.00 54.97 54.22 1p7m s GLU 25 Cb -0.09 -2.70 -0.02 0.00 -0.44 0.00 0.00 34.13 30.88 1p7m s GLU 25 CO 0.16 -0.29 0.56 0.95 0.95 0.00 0.00 175.26 177.59 1p7m s THR 26 N -2.41 5.01 -0.00 1.83 -4.23 -1.26 -4.87 115.64 109.70 1p7m s THR 26 Ca 0.53 0.77 0.01 0.00 -1.18 0.00 0.00 61.69 61.82 1p7m s THR 26 Cb -0.10 -3.92 -0.04 0.00 1.34 0.00 0.00 72.50 69.78 1p7m s THR 26 CO 0.34 -0.06 -0.00 -0.62 -0.54 0.00 0.00 174.62 173.74 1p7m s ASP 27 N 1.63 5.08 0.36 3.99 2.15 -1.26 -4.71 116.67 123.91 1p7m s ASP 27 Ca 0.22 -0.01 0.03 0.00 0.43 0.00 0.00 52.55 53.22 1p7m s ASP 27 Cb -0.15 -1.32 0.67 0.00 -0.30 0.00 0.00 42.92 41.82 1p7m s ASP 27 CO 0.11 0.28 2.02 0.28 -0.17 0.00 0.00 175.17 177.69 1p7m h SER 28 N 4.39 0.69 0.01 -0.34 0.02 -1.94 0.50 113.55 116.88 1p7m h SER 28 Ca -0.49 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1p7m h SER 28 Cb 1.18 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1p7m h SER 28 CO 0.57 0.50 -0.00 0.11 -1.14 0.00 0.00 176.83 176.86 1p7m h LYS 29 N 0.81 -0.01 0.00 3.45 1.79 -2.00 -3.08 116.57 117.54 1p7m h LYS 29 Ca 0.22 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.66 1p7m h LYS 29 Cb -0.09 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.55 1p7m h LYS 29 CO -0.05 0.66 -0.14 1.57 -1.08 0.00 0.00 179.45 180.41 1p7m h LYS 30 N -0.69 0.00 -0.40 3.15 5.09 -1.91 -1.85 116.57 119.96 1p7m h LYS 30 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 60.65 60.64 1p7m h LYS 30 Cb 0.67 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.99 1p7m h LYS 30 CO 0.00 0.14 -0.15 -0.07 -2.09 0.00 0.00 179.45 177.28 1p7m h LEU 31 N 0.00 0.74 -0.11 7.07 4.07 -0.90 0.18 115.31 126.35 1p7m h LEU 31 Ca -0.00 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 57.71 1p7m h LEU 31 Cb 0.31 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 1p7m h LEU 31 CO 0.02 0.90 0.02 0.15 -1.08 0.00 0.00 178.44 178.45 1p7m h PHE 32 N 0.66 0.19 -0.04 1.13 3.57 -1.25 0.16 116.94 121.36 1p7m h PHE 32 Ca 0.11 -0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.43 1p7m h PHE 32 Cb 0.63 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1p7m h PHE 32 CO 0.03 0.36 -0.64 1.05 -2.23 0.00 0.00 178.31 176.87 1p7m h GLU 33 N -0.03 0.18 -0.06 1.11 4.11 -1.44 -2.65 114.58 115.79 1p7m h GLU 33 Ca 0.03 -0.13 -0.02 0.00 0.07 0.00 0.00 59.36 59.32 1p7m h GLU 33 Cb 0.26 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1p7m h GLU 33 CO 0.00 0.76 -0.03 1.98 0.07 0.00 0.00 179.01 181.79 1p7m h MET 34 N 0.13 0.12 0.00 1.06 4.05 -0.45 -2.39 114.93 117.44 1p7m h MET 34 Ca -0.01 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.31 1p7m h MET 34 Cb 1.16 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.95 1p7m h MET 34 CO 0.10 0.50 -0.20 0.97 0.23 0.00 0.00 176.91 178.51 1p7m h ILE 35 N -0.27 0.93 0.00 1.77 6.09 -0.72 -0.30 117.51 125.01 1p7m h ILE 35 Ca 0.01 -0.76 -0.00 0.00 -1.37 0.00 0.00 64.86 62.74 1p7m h ILE 35 Cb 0.47 1.43 0.00 0.00 0.47 0.00 0.00 36.82 39.20 1p7m h ILE 35 CO 0.01 0.20 -0.00 0.00 -3.07 0.00 0.00 178.15 175.29 1p7m h LEU 37 N -0.46 0.77 -0.64 0.00 3.38 -1.24 -2.57 115.31 114.55 1p7m h LEU 37 Ca -0.00 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.58 1p7m h LEU 37 Cb 0.46 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1p7m h LEU 37 CO 0.00 0.98 -0.10 -0.08 0.09 0.00 0.00 178.44 179.34 1p7m h GLU 38 N 0.66 0.97 -0.50 1.13 4.57 -1.02 -2.78 114.58 117.60 1p7m h GLU 38 Ca 0.09 -0.34 -0.03 0.00 -1.18 0.00 0.00 59.36 57.89 1p7m h GLU 38 Cb 0.75 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 1p7m h GLU 38 CO 0.06 1.01 0.19 0.78 -1.18 0.00 0.00 179.01 179.87 1p7m h GLY 39 N 0.96 0.78 1.65 1.92 0.00 -0.30 -0.41 103.07 107.66 1p7m h GLY 39 Ca 0.14 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1p7m h GLY 39 CO 0.04 0.37 0.00 -1.06 0.00 0.00 0.00 176.54 175.89 1p7m n GLN 40 N -4.34 0.22 0.00 4.80 6.02 -0.99 -2.43 117.38 120.65 1p7m n GLN 40 Ca 0.04 0.13 0.13 0.00 -0.01 0.00 0.00 57.00 57.29 1p7m n GLN 40 Cb 0.16 -1.50 0.75 0.00 1.02 0.00 0.00 30.24 30.68 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 -1.32 0.68 -2.12 -1.09 10.64 -0.16 -4.28 117.38 119.72 1p7m n GLN 41 Ca 0.08 0.01 -0.42 0.00 -1.83 0.00 0.00 57.00 54.84 1p7m n GLN 41 Cb 0.16 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 28.01 1p7m n GLN 41 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1p7m s ALA 42 N -2.20 3.62 0.00 2.61 0.00 -1.02 -2.56 121.76 122.21 1p7m s ALA 42 Ca 0.35 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1p7m s ALA 42 Cb 0.18 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1p7m s ALA 42 CO 0.34 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 175.29 1p7m n GLY 43 N 3.92 1.96 3.86 0.00 0.00 -1.26 -4.93 105.19 108.73 1p7m n GLY 43 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 4.21 0.69 0.99 1.43 -1.06 -5.09 118.68 119.86 1p7m s LEU 44 Ca 0.00 0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 53.28 1p7m s LEU 44 Cb 0.00 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 43.89 1p7m s LEU 44 CO 0.00 0.31 1.11 -0.44 0.23 0.00 0.00 176.35 177.56 1p7m s SER 45 N -1.60 4.92 0.36 2.29 0.01 -1.26 -4.48 113.70 113.92 1p7m s SER 45 Ca 0.22 1.97 0.06 0.00 1.31 0.00 0.00 55.95 59.51 1p7m s SER 45 Cb -0.12 -2.54 0.75 0.00 0.21 0.00 0.00 66.02 64.31 1p7m s SER 45 CO 0.13 -1.76 1.94 -0.25 0.41 0.00 0.00 173.24 173.71 1p7m h TRP 46 N -0.28 0.78 -0.38 2.43 2.91 -1.96 -1.35 115.95 118.11 1p7m h TRP 46 Ca -0.46 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 59.51 1p7m h TRP 46 Cb 1.24 -0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 29.62 1p7m h TRP 46 CO 0.55 0.39 -0.05 0.82 -1.03 0.00 0.00 178.44 179.13 1p7m h ILE 47 N 0.76 1.23 -0.83 2.65 1.08 -2.01 -2.72 117.51 117.66 1p7m h ILE 47 Ca 0.34 -0.96 0.02 0.00 -0.39 0.00 0.00 64.86 63.87 1p7m h ILE 47 Cb 0.33 0.99 -0.05 0.00 -3.07 0.00 0.00 36.82 35.03 1p7m h ILE 47 CO -0.12 0.33 0.54 0.74 -0.69 0.00 0.00 178.15 178.95 1p7m h THR 48 N 0.58 1.17 -0.13 -0.27 2.02 -1.59 -1.58 112.91 113.11 1p7m h THR 48 Ca 0.11 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 66.83 1p7m h THR 48 Cb 0.44 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1p7m h THR 48 CO 0.02 0.20 -0.35 -0.37 0.37 0.00 0.00 175.52 175.39 1p7m h VAL 49 N 1.08 1.28 -0.61 3.16 -1.51 -1.45 -2.99 116.25 115.21 1p7m h VAL 49 Ca 0.32 -1.37 0.01 0.00 -1.23 0.00 0.00 66.70 64.43 1p7m h VAL 49 Cb -0.05 1.57 -0.03 0.00 -2.13 0.00 0.00 31.29 30.65 1p7m h VAL 49 CO -0.09 0.41 0.40 0.25 -1.23 0.00 0.00 177.57 177.31 1p7m h LEU 50 N 0.23 0.70 -0.01 4.19 6.46 -1.05 1.71 115.31 127.53 1p7m h LEU 50 Ca 0.03 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1p7m h LEU 50 Cb 0.73 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1p7m h LEU 50 CO 0.06 0.50 0.01 0.11 -0.62 0.00 0.00 178.44 178.50 1p7m h LYS 51 N 0.82 0.01 0.00 1.25 6.56 -1.36 -1.28 116.57 122.58 1p7m h LYS 51 Ca 0.22 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.81 1p7m h LYS 51 Cb -0.09 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.57 1p7m h LYS 51 CO -0.05 0.06 0.00 1.63 -2.06 0.00 0.00 179.45 179.03 1p7m n LYS 52 N -5.06 0.25 -0.07 3.15 5.02 -1.03 -3.17 118.16 117.25 1p7m n LYS 52 Ca -0.07 0.02 -0.11 0.00 -2.02 0.00 0.00 58.31 56.13 1p7m n LYS 52 Cb 0.05 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.52 1p7m n LYS 52 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1p7m h ARG 53 N 0.00 0.35 -0.16 1.97 2.43 0.38 1.61 114.38 120.96 1p7m h ARG 53 Ca 0.00 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 1p7m h ARG 53 Cb 0.35 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1p7m h ARG 53 CO 0.00 0.52 -0.15 1.49 -1.51 0.00 0.00 179.97 180.32 1p7m h GLU 54 N 0.13 0.38 -0.42 0.20 4.81 -1.49 -2.09 114.58 116.10 1p7m h GLU 54 Ca 0.06 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.02 1p7m h GLU 54 Cb 0.35 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1p7m h GLU 54 CO 0.01 0.75 -0.00 -0.97 -0.73 0.00 0.00 179.01 178.07 1p7m h ASN 55 N 0.02 0.73 -0.46 1.04 -1.24 -1.49 -2.87 115.58 111.31 1p7m h ASN 55 Ca 0.03 -0.31 0.01 0.00 0.71 0.00 0.00 56.30 56.73 1p7m h ASN 55 Cb 0.68 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 1p7m h ASN 55 CO 0.04 0.86 0.30 0.22 -1.29 0.00 0.00 177.43 177.56 1p7m h TYR 56 N 0.58 0.57 0.00 0.67 3.20 0.24 -1.43 116.97 120.79 1p7m h TYR 56 Ca 0.12 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1p7m h TYR 56 Cb 0.49 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 1p7m h TYR 56 CO 0.04 0.35 -0.08 0.07 -1.64 0.00 0.00 178.16 176.90 1p7m h ARG 57 N 0.61 0.00 -0.38 1.82 -0.00 -1.33 -1.38 114.38 113.73 1p7m h ARG 57 Ca 0.17 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 60.06 1p7m h ARG 57 Cb -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 29.90 1p7m h ARG 57 CO -0.05 0.08 -0.13 0.00 -0.00 0.00 0.00 179.97 179.88 1p7m h ALA 58 N 1.92 1.07 -0.27 0.08 0.00 -1.04 2.01 119.26 123.02 1p7m h ALA 58 Ca -0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1p7m h ALA 58 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1p7m h ALA 58 CO 0.01 0.57 -0.04 0.00 0.00 0.00 0.00 179.25 179.79 1p7m h PHE 60 N 0.27 0.58 0.00 0.00 -1.00 -1.37 -3.46 116.94 111.97 1p7m h PHE 60 Ca 0.07 -0.43 0.00 0.00 2.81 0.00 0.00 57.97 60.43 1p7m h PHE 60 Cb 0.49 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.03 1p7m h PHE 60 CO 0.05 1.50 0.00 1.58 -1.61 0.00 0.00 178.31 179.82 1p7m n HIS 61 N -3.92 0.00 0.07 -0.55 -0.00 0.68 -4.15 115.22 107.35 1p7m n HIS 61 Ca -0.20 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 57.88 1p7m n HIS 61 Cb 0.93 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.80 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 0.00 0.31 -2.40 1.57 4.20 -1.90 -3.46 115.11 113.44 1p7m h GLN 62 Ca 0.00 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.39 1p7m h GLN 62 Cb 0.00 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1p7m h GLN 62 CO 0.00 0.98 -0.02 1.97 -0.67 0.00 0.00 178.83 181.09 1p7m n PHE 63 N -3.75 -1.11 -3.48 2.96 1.16 -1.26 -4.85 117.46 107.13 1p7m n PHE 63 Ca -0.04 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.18 1p7m n PHE 63 Cb 0.77 -1.11 -0.06 0.00 -1.61 0.00 0.00 39.48 37.47 1p7m n PHE 63 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1p7m s ASP 64 N -1.21 6.73 0.01 5.98 1.01 -1.26 -4.95 116.67 122.97 1p7m s ASP 64 Ca 0.00 0.92 -0.25 0.00 0.71 0.00 0.00 52.55 53.93 1p7m s ASP 64 Cb 0.00 -2.23 -0.18 0.00 1.01 0.00 0.00 42.92 41.52 1p7m s ASP 64 CO 0.00 0.16 1.35 1.55 0.21 0.00 0.00 175.17 178.44 1p7m h PRO 65 N 3.75 -0.08 -0.37 8.23 0.13 -1.94 -1.01 132.00 140.70 1p7m h PRO 65 Ca -0.49 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1p7m h PRO 65 Cb 1.20 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1p7m h PRO 65 CO 0.66 0.27 0.21 0.28 -0.23 0.00 0.00 178.00 179.18 1p7m h VAL 66 N -0.45 1.14 -0.48 1.56 2.07 -1.95 -0.47 116.25 117.67 1p7m h VAL 66 Ca -0.01 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 1p7m h VAL 66 Cb 0.39 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1p7m h VAL 66 CO 0.01 0.15 -0.06 0.11 0.02 0.00 0.00 177.57 177.80 1p7m h LYS 67 N 0.47 0.85 -0.54 1.57 6.56 -1.99 -2.53 116.57 120.97 1p7m h LYS 67 Ca 0.13 -0.27 -0.05 0.00 -1.06 0.00 0.00 60.65 59.40 1p7m h LYS 67 Cb 0.05 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 31.61 1p7m h LYS 67 CO -0.02 0.89 0.14 0.28 -2.06 0.00 0.00 179.45 178.67 1p7m h VAL 68 N 0.78 1.22 0.00 0.50 2.07 -0.74 0.14 116.25 120.22 1p7m h VAL 68 Ca 0.14 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1p7m h VAL 68 Cb 0.56 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1p7m h VAL 68 CO 0.03 0.30 0.00 0.00 0.02 0.00 0.00 177.57 177.92 1p7m h ALA 69 N 1.36 1.00 -0.00 1.67 0.00 -0.67 0.28 119.26 122.89 1p7m h ALA 69 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1p7m h ALA 69 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1p7m h ALA 69 CO -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 179.25 178.98 1p7m n ALA 70 N -2.02 3.05 -2.60 0.00 0.00 0.45 -4.71 120.51 114.67 1p7m n ALA 70 Ca -0.01 -0.29 -0.43 0.00 0.00 0.00 0.00 53.44 52.71 1p7m n ALA 70 Cb 0.18 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.79 3.80 0.64 0.00 -1.94 0.98 -5.02 119.30 114.97 1p7m s MET 71 Ca 0.18 0.57 0.04 0.00 -1.71 0.00 0.00 55.69 54.77 1p7m s MET 71 Cb 0.19 -3.83 0.10 0.00 2.01 0.00 0.00 34.83 33.30 1p7m s MET 71 CO 0.58 -1.06 0.88 -1.14 -0.01 0.00 0.00 175.02 174.27 1p7m s GLN 72 N 3.72 2.03 0.48 2.03 2.00 -1.26 -4.91 119.66 123.74 1p7m s GLN 72 Ca 0.41 -1.35 0.20 0.00 -2.00 0.00 0.00 55.36 52.62 1p7m s GLN 72 Cb -0.11 -2.49 1.23 0.00 0.80 0.00 0.00 33.01 32.44 1p7m s GLN 72 CO 0.22 -1.12 1.98 0.93 -0.50 0.00 0.00 175.29 176.80 1p7m h GLU 73 N -0.15 0.18 -0.64 1.67 5.08 -1.97 -0.65 114.58 118.10 1p7m h GLU 73 Ca -0.34 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.11 1p7m h GLU 73 Cb 1.28 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.42 1p7m h GLU 73 CO 0.41 0.12 0.27 1.05 -1.00 0.00 0.00 179.01 179.86 1p7m h GLU 74 N 0.19 0.47 -0.64 2.33 4.11 -2.00 0.27 114.58 119.30 1p7m h GLU 74 Ca 0.27 -0.03 -0.06 0.00 0.07 0.00 0.00 59.36 59.61 1p7m h GLU 74 Cb 0.81 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1p7m h GLU 74 CO -0.05 0.31 0.15 -0.44 0.07 0.00 0.00 179.01 179.06 1p7m h ASP 75 N 0.48 0.95 -0.68 3.06 3.32 -1.49 -2.60 116.42 119.46 1p7m h ASP 75 Ca 0.32 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1p7m h ASP 75 Cb 0.37 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1p7m h ASP 75 CO -0.29 0.92 0.39 0.58 -1.72 0.00 0.00 179.24 179.12 1p7m h VAL 76 N 0.96 1.20 -0.61 -1.35 2.07 -0.35 0.40 116.25 118.57 1p7m h VAL 76 Ca 0.20 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.27 1p7m h VAL 76 Cb 0.34 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1p7m h VAL 76 CO 0.00 0.22 0.37 -0.33 0.02 0.00 0.00 177.57 177.85 1p7m h GLU 77 N 0.93 0.72 -0.00 1.57 5.08 -0.24 -1.92 114.58 120.71 1p7m h GLU 77 Ca 0.24 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.36 1p7m h GLU 77 Cb 0.00 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1p7m h GLU 77 CO -0.04 0.47 -0.88 0.07 -1.00 0.00 0.00 179.01 177.63 1p7m h ARG 78 N 0.74 0.26 -0.26 2.33 0.11 -1.32 -3.18 114.38 113.06 1p7m h ARG 78 Ca 0.25 -0.27 -0.02 0.00 0.10 0.00 0.00 59.98 60.04 1p7m h ARG 78 Cb 0.03 0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 1p7m h ARG 78 CO -0.10 0.98 0.08 -0.07 0.10 0.00 0.00 179.97 180.96 1p7m h LEU 79 N 0.15 0.32 -1.58 0.08 3.38 -0.45 -1.47 115.31 115.74 1p7m h LEU 79 Ca -0.05 -0.03 0.28 0.00 0.09 0.00 0.00 57.88 58.17 1p7m h LEU 79 Cb 1.50 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 42.09 1p7m h LEU 79 CO 0.14 0.32 0.70 0.58 0.09 0.00 0.00 178.44 180.26 1p7m h VAL 80 N 0.36 0.52 -0.02 1.22 2.07 -1.34 0.47 116.25 119.52 1p7m h VAL 80 Ca 0.09 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1p7m h VAL 80 Cb 0.11 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1p7m h VAL 80 CO -0.01 0.05 -0.09 0.00 0.02 0.00 0.00 177.57 177.54 1p7m n GLN 81 N -4.49 1.77 -2.62 1.57 10.64 -0.60 -4.19 117.38 119.46 1p7m n GLN 81 Ca 0.24 -1.55 -0.43 0.00 -1.83 0.00 0.00 57.00 53.43 1p7m n GLN 81 Cb 0.95 -1.39 -0.02 0.00 -0.86 0.00 0.00 30.24 28.91 1p7m n GLN 81 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1p7m s ASP 82 N -1.82 6.56 0.00 2.61 2.15 0.16 -3.41 116.67 122.92 1p7m s ASP 82 Ca 0.22 0.30 0.00 0.00 0.43 0.00 0.00 52.55 53.51 1p7m s ASP 82 Cb 0.17 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 1p7m s ASP 82 CO 0.31 -1.30 0.00 0.00 -0.17 0.00 0.00 175.17 174.01 1p7m n ALA 83 N 7.94 0.00 -2.26 3.66 0.00 -1.26 -3.37 120.51 125.22 1p7m n ALA 83 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.51 1p7m n ALA 83 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.96 0.41 0.00 0.00 0.00 -1.22 -5.03 105.19 97.39 1p7m n GLY 84 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.63 0.00 -1.91 -0.61 -5.35 -1.22 -4.63 119.36 102.01 1p7m n ILE 85 Ca -0.02 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.15 1p7m n ILE 85 Cb 0.52 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.38 1p7m n ILE 85 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1p7m s ILE 86 N -0.58 3.29 -0.26 7.28 1.01 -1.26 -4.87 121.20 125.80 1p7m s ILE 86 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.29 1p7m s ILE 86 Cb 0.00 -3.70 -0.07 0.00 0.01 0.00 0.00 42.46 38.71 1p7m s ILE 86 CO 0.00 -0.67 2.23 -2.11 0.00 0.00 0.00 174.94 174.39 1p7m n ARG 87 N 8.99 1.70 -2.66 2.79 1.85 -1.26 -4.76 116.66 123.31 1p7m n ARG 87 Ca 0.34 0.45 -0.03 0.00 -1.00 0.00 0.00 57.85 57.61 1p7m n ARG 87 Cb 0.49 -3.05 0.03 0.00 -1.05 0.00 0.00 32.46 28.89 1p7m n ARG 87 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1p7m s HIS 88 N 8.24 -0.15 0.50 2.89 3.76 -1.26 -5.01 115.29 124.27 1p7m s HIS 88 Ca 1.03 -0.04 0.29 0.00 -0.15 0.00 0.00 55.06 56.19 1p7m s HIS 88 Cb -0.46 0.03 1.39 0.00 1.11 0.00 0.00 32.58 34.65 1p7m s HIS 88 CO 0.38 -0.12 1.85 0.00 -0.85 0.00 0.00 174.74 176.01 1p7m h ARG 89 N 4.21 0.11 0.74 1.40 3.08 -1.90 0.12 114.38 122.14 1p7m h ARG 89 Ca -0.02 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1p7m h ARG 89 Cb 1.18 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.21 1p7m h ARG 89 CO -0.12 0.07 -0.37 0.78 -1.07 0.00 0.00 179.97 179.26 1p7m h GLY 90 N 0.11 -1.07 1.04 0.04 0.00 -1.97 0.18 103.07 101.40 1p7m h GLY 90 Ca 0.48 0.40 -0.06 0.00 0.00 0.00 0.00 47.33 48.15 1p7m h GLY 90 CO -0.07 -0.39 0.17 1.70 0.00 0.00 0.00 176.54 177.95 1p7m h LYS 91 N -1.01 1.06 -0.10 4.80 3.64 -1.75 -2.76 116.57 120.44 1p7m h LYS 91 Ca -0.10 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1p7m h LYS 91 Cb 0.78 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1p7m h LYS 91 CO 0.16 0.94 0.06 0.82 -2.27 0.00 0.00 179.45 179.16 1p7m h ILE 92 N 0.99 1.07 -0.13 2.00 2.04 -0.96 -1.63 117.51 120.89 1p7m h ILE 92 Ca 0.21 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.92 1p7m h ILE 92 Cb 0.36 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1p7m h ILE 92 CO 0.00 0.06 0.10 0.06 0.00 0.00 0.00 178.15 178.38 1p7m h GLN 93 N 0.09 0.00 -0.56 2.37 -0.00 -0.57 0.61 115.11 117.05 1p7m h GLN 93 Ca 0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.63 1p7m h GLN 93 Cb 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.50 1p7m h GLN 93 CO -0.01 0.00 0.10 0.00 -0.00 0.00 0.00 178.83 178.93 1p7m h ALA 94 N 1.92 1.13 -0.97 0.06 0.00 -1.01 -2.08 119.26 118.32 1p7m h ALA 94 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1p7m h ALA 94 Cb 0.26 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1p7m h ALA 94 CO -0.00 0.58 0.61 0.82 0.00 0.00 0.00 179.25 181.26 1p7m h ILE 95 N 0.84 1.26 -0.71 0.00 2.04 -0.50 -1.44 117.51 119.00 1p7m h ILE 95 Ca 0.18 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.53 1p7m h ILE 95 Cb 0.35 -0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.26 1p7m h ILE 95 CO 0.00 0.26 0.47 0.40 0.00 0.00 0.00 178.15 179.28 1p7m h ILE 96 N 1.32 1.18 -0.60 -0.67 1.08 -1.21 -1.06 117.51 117.55 1p7m h ILE 96 Ca 0.35 -0.33 0.01 0.00 -0.39 0.00 0.00 64.86 64.50 1p7m h ILE 96 Cb -0.10 0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 33.76 1p7m h ILE 96 CO -0.07 0.17 0.40 1.23 -0.69 0.00 0.00 178.15 179.19 1p7m h GLY 97 N 0.95 0.84 1.19 5.37 0.00 -0.89 -0.96 103.07 109.57 1p7m h GLY 97 Ca 0.26 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.30 1p7m h GLY 97 CO -0.06 0.30 0.49 3.43 0.00 0.00 0.00 176.54 180.70 1p7m h ASN 98 N 0.81 0.79 -0.35 0.19 2.35 -0.33 -1.97 115.58 117.06 1p7m h ASN 98 Ca 0.22 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.92 1p7m h ASN 98 Cb -0.08 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 1p7m h ASN 98 CO -0.05 0.55 0.06 0.00 -1.65 0.00 0.00 177.43 176.35 1p7m h ALA 99 N 1.56 0.47 -0.79 -0.83 0.00 -0.93 -2.53 119.26 116.21 1p7m h ALA 99 Ca 0.29 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1p7m h ALA 99 Cb 0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1p7m h ALA 99 CO -0.08 0.16 0.49 0.00 0.00 0.00 0.00 179.25 179.82 1p7m h ARG 100 N 0.42 1.07 -0.07 0.00 2.47 -1.20 -0.23 114.38 116.83 1p7m h ARG 100 Ca 0.11 -0.09 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 1p7m h ARG 100 Cb 0.34 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 1p7m h ARG 100 CO 0.01 0.74 -0.09 0.00 0.56 0.00 0.00 179.97 181.19 1p7m h ALA 101 N 1.45 1.73 -0.49 0.04 0.00 -1.09 0.17 119.26 121.07 1p7m h ALA 101 Ca 0.29 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1p7m h ALA 101 Cb -0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1p7m h ALA 101 CO -0.06 0.21 0.18 -0.92 0.00 0.00 0.00 179.25 178.66 1p7m h TYR 102 N 0.10 0.77 -0.21 0.00 5.03 -0.63 -1.00 116.97 121.02 1p7m h TYR 102 Ca 0.02 -0.07 -0.04 0.00 2.58 0.00 0.00 58.73 61.23 1p7m h TYR 102 Cb 0.22 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.27 1p7m h TYR 102 CO 0.00 0.65 -0.06 -0.07 -1.32 0.00 0.00 178.16 177.36 1p7m h LEU 103 N 0.66 0.29 -1.23 2.82 3.38 -0.68 -1.69 115.31 118.86 1p7m h LEU 103 Ca 0.16 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1p7m h LEU 103 Cb 0.22 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1p7m h LEU 103 CO -0.01 0.40 0.09 1.56 0.09 0.00 0.00 178.44 180.56 1p7m h GLN 104 N 0.31 0.62 -0.49 1.13 1.08 0.27 -1.72 115.11 116.30 1p7m h GLN 104 Ca 0.07 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.12 1p7m h GLN 104 Cb 0.31 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1p7m h GLN 104 CO 0.01 0.57 0.17 1.98 -0.95 0.00 0.00 178.83 180.61 1p7m h MET 105 N 0.60 0.76 -0.71 1.46 4.05 -0.60 -1.96 114.93 118.53 1p7m h MET 105 Ca 0.14 -0.16 0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1p7m h MET 105 Cb 0.25 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.90 1p7m h MET 105 CO -0.00 0.70 0.47 0.93 0.23 0.00 0.00 176.91 179.24 1p7m h GLU 106 N 0.66 0.93 0.00 0.39 5.08 -1.18 0.95 114.58 121.42 1p7m h GLU 106 Ca 0.16 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1p7m h GLU 106 Cb 0.25 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1p7m h GLU 106 CO -0.01 0.62 -0.03 1.96 -1.00 0.00 0.00 179.01 180.55 1p7m h GLN 107 N 0.96 0.00 0.00 2.33 4.20 -0.60 0.39 115.11 122.39 1p7m h GLN 107 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1p7m h GLN 107 Cb -0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1p7m h GLN 107 CO -0.06 0.03 -0.99 0.09 -0.67 0.00 0.00 178.83 177.23 1p7m n ASN 108 N -3.73 0.62 -1.32 1.46 5.03 0.28 -4.95 115.26 112.64 1p7m n ASN 108 Ca -0.03 -0.13 -0.13 0.00 0.87 0.00 0.00 54.58 55.17 1p7m n ASN 108 Cb 0.12 0.72 -0.02 0.00 -1.02 0.00 0.00 39.78 39.58 1p7m n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1p7m n GLY 109 N 1.35 0.27 3.00 7.41 0.00 0.17 -4.99 105.19 112.40 1p7m n GLY 109 Ca 0.02 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 1p7m n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p7m s GLU 110 N -4.19 1.54 0.31 1.61 2.12 -1.14 -5.01 118.70 113.93 1p7m s GLU 110 Ca 0.00 -1.66 -0.26 0.00 0.36 0.00 0.00 54.97 53.40 1p7m s GLU 110 Cb 0.00 -3.00 -0.14 0.00 0.26 0.00 0.00 34.13 31.25 1p7m s GLU 110 CO 0.00 -0.86 0.76 -2.30 -0.54 0.00 0.00 175.26 172.32 1p7m n PRO 111 N 4.36 0.80 -0.31 4.30 -0.02 -1.26 -4.76 135.00 138.11 1p7m n PRO 111 Ca -0.00 0.28 0.06 0.00 -2.02 0.00 0.00 63.50 61.82 1p7m n PRO 111 Cb 0.42 -1.54 0.26 0.00 -0.02 0.00 0.00 33.50 32.62 1p7m n PRO 111 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1p7m h PHE 112 N 1.41 1.04 0.00 6.00 -1.00 -1.93 -0.18 116.94 122.27 1p7m h PHE 112 Ca -0.37 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.37 1p7m h PHE 112 Cb 1.38 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 40.60 1p7m h PHE 112 CO 0.43 0.48 -0.32 0.00 -1.61 0.00 0.00 178.31 177.29 1p7m h ALA 113 N 1.53 1.24 -0.08 2.45 0.00 -1.84 -3.04 119.26 119.52 1p7m h ALA 113 Ca 0.43 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1p7m h ALA 113 Cb 0.37 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1p7m h ALA 113 CO -0.19 0.41 -0.03 0.22 0.00 0.00 0.00 179.25 179.65 1p7m h ASP 114 N 0.00 0.16 -0.10 0.00 3.58 -1.35 -2.81 116.42 115.90 1p7m h ASP 114 Ca -0.00 -0.40 -0.16 0.00 0.42 0.00 0.00 57.03 56.88 1p7m h ASP 114 Cb 0.67 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 1p7m h ASP 114 CO 0.04 0.53 -0.51 2.19 -2.88 0.00 0.00 179.24 178.61 1p7m h PHE 115 N -0.21 0.83 -0.08 0.28 -0.00 -1.56 -2.82 116.94 113.38 1p7m h PHE 115 Ca 0.02 -0.28 -0.00 0.00 -0.00 0.00 0.00 57.97 57.70 1p7m h PHE 115 Cb 0.46 -0.16 -0.00 0.00 -0.00 0.00 0.00 35.95 36.25 1p7m h PHE 115 CO 0.06 1.04 0.04 -0.39 -0.00 0.00 0.00 178.31 179.06 1p7m h VAL 116 N 0.52 1.11 -0.24 0.88 -1.51 -1.58 -0.08 116.25 115.34 1p7m h VAL 116 Ca 0.02 -0.31 0.07 0.00 -1.23 0.00 0.00 66.70 65.25 1p7m h VAL 116 Cb 1.06 1.17 -0.01 0.00 -2.13 0.00 0.00 31.29 31.38 1p7m h VAL 116 CO 0.10 0.09 0.23 -0.50 -1.23 0.00 0.00 177.57 176.26 1p7m h TRP 117 N 0.01 0.00 -0.01 5.19 -0.00 -1.51 0.39 115.95 120.03 1p7m h TRP 117 Ca 0.03 0.00 -0.23 0.00 -0.00 0.00 0.00 58.89 58.69 1p7m h TRP 117 Cb 0.11 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.28 1p7m h TRP 117 CO -0.03 0.00 -0.95 1.03 -0.00 0.00 0.00 178.44 178.49 1p7m h SER 118 N 0.00 0.62 0.57 -3.49 0.87 -0.85 1.38 113.55 112.66 1p7m h SER 118 Ca 0.12 -0.49 -0.05 0.00 -1.23 0.00 0.00 61.79 60.14 1p7m h SER 118 Cb 0.57 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1p7m h SER 118 CO -0.00 1.29 -0.25 -0.26 -0.53 0.00 0.00 176.83 177.08 1p7m h PHE 119 N 0.27 0.00 -0.50 2.24 -1.00 0.78 -2.28 116.94 116.46 1p7m h PHE 119 Ca -0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.69 1p7m h PHE 119 Cb 1.58 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.14 1p7m h PHE 119 CO 0.07 0.25 0.00 1.55 -1.61 0.00 0.00 178.31 178.57 1p7m n VAL 120 N -3.67 2.18 -2.73 -0.55 3.14 -0.95 -4.59 118.33 111.16 1p7m n VAL 120 Ca -0.01 -1.14 -0.12 0.00 -2.96 0.00 0.00 64.34 60.11 1p7m n VAL 120 Cb 0.37 -0.25 0.02 0.00 -1.06 0.00 0.00 33.84 32.92 1p7m n VAL 120 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1p7m n ASN 121 N 0.60 -4.08 -2.52 6.55 5.15 -0.86 -3.15 115.26 116.96 1p7m n ASN 121 Ca 0.23 -0.18 -0.06 0.00 -0.60 0.00 0.00 54.58 53.97 1p7m n ASN 121 Cb 1.00 -2.92 -0.00 0.00 -0.53 0.00 0.00 39.78 37.33 1p7m n ASN 121 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1p7m n HIS 122 N -3.92 -1.75 -3.69 1.20 -0.00 0.47 -4.89 115.22 102.65 1p7m n HIS 122 Ca -0.05 0.02 -0.14 0.00 -0.00 0.00 0.00 57.72 57.54 1p7m n HIS 122 Cb 0.56 -1.77 -0.08 0.00 -0.00 0.00 0.00 29.99 28.70 1p7m n HIS 122 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 1p7m s GLN 123 N -5.06 0.73 0.55 1.57 -2.07 -1.19 -5.04 119.66 109.15 1p7m s GLN 123 Ca 0.02 0.08 -0.20 0.00 -1.82 0.00 0.00 55.36 53.44 1p7m s GLN 123 Cb -0.01 0.34 -0.05 0.00 -1.09 0.00 0.00 33.01 32.20 1p7m s GLN 123 CO 0.02 -0.19 1.21 -1.25 -1.32 0.00 0.00 175.29 173.76 1p7m s PRO 124 N -0.98 3.22 -0.10 9.60 0.04 -1.26 -4.89 135.00 140.63 1p7m s PRO 124 Ca -0.10 1.86 0.03 0.00 0.04 0.00 0.00 61.00 62.82 1p7m s PRO 124 Cb -0.04 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.41 1p7m s PRO 124 CO 0.05 -1.01 -0.21 -1.14 0.04 0.00 0.00 177.00 174.73 1p7m s GLN 125 N -3.11 2.72 -0.26 4.56 -0.44 -1.01 -5.02 119.66 117.10 1p7m s GLN 125 Ca 0.73 -0.76 -0.09 0.00 -2.50 0.00 0.00 55.36 52.74 1p7m s GLN 125 Cb -0.31 -2.13 -0.04 0.00 -1.64 0.00 0.00 33.01 28.89 1p7m s GLN 125 CO 0.35 0.08 0.12 -1.64 0.50 0.00 0.00 175.29 174.70 1p7m s MET 126 N 0.57 3.80 0.09 1.67 -1.94 -1.26 -1.80 119.30 120.43 1p7m s MET 126 Ca -0.14 -0.40 0.15 0.00 -1.71 0.00 0.00 55.69 53.59 1p7m s MET 126 Cb -0.17 -3.46 -0.12 0.00 2.01 0.00 0.00 34.83 33.10 1p7m s MET 126 CO 0.05 -0.15 0.94 1.15 -0.01 0.00 0.00 175.02 177.00 1p7m h THR 127 N 5.42 0.68 -5.95 2.05 2.02 -1.87 -3.48 112.91 111.77 1p7m h THR 127 Ca -0.37 -2.21 -0.40 0.00 0.77 0.00 0.00 66.41 64.20 1p7m h THR 127 Cb 1.18 2.20 0.09 0.00 -1.74 0.00 0.00 68.15 69.88 1p7m h THR 127 CO 0.58 0.39 -0.76 0.00 0.37 0.00 0.00 175.52 176.09 1p7m n GLN 128 N -3.00 -6.31 -2.10 6.66 6.02 -1.26 -4.92 117.38 112.47 1p7m n GLN 128 Ca -0.08 0.73 -0.36 0.00 -0.01 0.00 0.00 57.00 57.28 1p7m n GLN 128 Cb 0.85 -5.62 0.02 0.00 1.02 0.00 0.00 30.24 26.52 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 -3.42 2.65 -0.10 -1.58 0.00 -1.26 -4.63 121.76 113.43 1p7m s ALA 129 Ca 0.29 0.97 0.17 0.00 0.00 0.00 0.00 51.96 53.39 1p7m s ALA 129 Cb -0.14 -3.42 -0.25 0.00 0.00 0.00 0.00 23.12 19.31 1p7m s ALA 129 CO 0.77 -1.00 0.23 0.25 0.00 0.00 0.00 175.76 176.01 1p7m n THR 130 N -1.35 0.61 -4.19 0.00 -2.24 -1.26 0.22 114.28 106.06 1p7m n THR 130 Ca 0.12 -0.58 -0.12 0.00 -2.27 0.00 0.00 64.05 61.20 1p7m n THR 130 Cb 0.50 -0.24 -0.10 0.00 -2.10 0.00 0.00 70.33 68.39 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 -2.85 0.58 0.33 4.28 -4.23 -1.26 -4.56 115.64 107.93 1p7m s THR 131 Ca -0.08 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1p7m s THR 131 Cb 0.08 -1.92 0.25 0.00 1.34 0.00 0.00 72.50 72.26 1p7m s THR 131 CO 0.74 -0.65 1.98 -0.07 -0.54 0.00 0.00 174.62 176.08 1p7m h LEU 132 N 2.84 0.81 -1.60 4.79 3.38 -1.95 -0.54 115.31 123.05 1p7m h LEU 132 Ca -0.36 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 1p7m h LEU 132 Cb 1.19 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1p7m h LEU 132 CO 0.63 0.61 -0.07 0.28 0.09 0.00 0.00 178.44 179.98 1p7m h SER 133 N 0.95 0.16 0.05 -0.43 0.02 -1.97 -0.53 113.55 111.80 1p7m h SER 133 Ca 0.25 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1p7m h SER 133 Cb -0.08 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1p7m h SER 133 CO -0.05 0.25 0.00 -0.62 -1.14 0.00 0.00 176.83 175.27 1p7m n GLU 134 N -4.36 0.71 -2.51 3.45 -0.58 -0.22 -4.74 120.64 112.39 1p7m n GLU 134 Ca -0.01 0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.31 1p7m n GLU 134 Cb 0.20 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.54 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 -2.07 4.37 0.20 -3.67 1.10 -0.21 -4.82 121.20 116.10 1p7m s ILE 135 Ca 0.35 1.68 -0.30 0.00 -0.51 0.00 0.00 60.65 61.87 1p7m s ILE 135 Cb 0.17 -4.08 -0.08 0.00 0.15 0.00 0.00 42.46 38.61 1p7m s ILE 135 CO 0.29 0.01 1.11 -2.16 -2.11 0.00 0.00 174.94 172.08 1p7m s PRO 136 N 2.10 4.59 0.00 3.50 0.04 -1.26 -4.93 135.00 139.03 1p7m s PRO 136 Ca 0.54 1.75 0.07 0.00 0.04 0.00 0.00 61.00 63.40 1p7m s PRO 136 Cb -0.23 -3.26 0.14 0.00 0.04 0.00 0.00 34.50 31.19 1p7m s PRO 136 CO 0.21 0.08 1.00 0.25 0.04 0.00 0.00 177.00 178.58 1p7m n THR 137 N 2.19 0.65 -3.26 1.26 -2.24 -1.26 -4.83 114.28 106.80 1p7m n THR 137 Ca 0.02 -0.83 -0.11 0.00 -2.27 0.00 0.00 64.05 60.87 1p7m n THR 137 Cb 0.46 0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 69.36 1p7m n THR 137 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1p7m s SER 138 N -0.85 0.13 0.16 3.42 0.15 -1.26 -4.40 113.70 111.06 1p7m s SER 138 Ca 0.12 -1.49 0.04 0.00 0.70 0.00 0.00 55.95 55.32 1p7m s SER 138 Cb 0.07 1.03 -0.04 0.00 -1.71 0.00 0.00 66.02 65.38 1p7m s SER 138 CO 0.09 -0.20 0.23 0.42 1.20 0.00 0.00 173.24 174.98 1p7m s THR 139 N 1.38 4.96 0.31 6.45 -4.23 -1.26 -4.89 115.64 118.37 1p7m s THR 139 Ca 0.19 -0.88 0.05 0.00 -1.18 0.00 0.00 61.69 59.87 1p7m s THR 139 Cb -0.09 -3.56 0.30 0.00 1.34 0.00 0.00 72.50 70.49 1p7m s THR 139 CO -0.05 -0.12 1.84 1.55 -0.54 0.00 0.00 174.62 177.29 1p7m h PRO 140 N 2.17 0.82 -0.07 3.99 0.13 -1.98 1.12 132.00 138.17 1p7m h PRO 140 Ca -0.48 -0.05 -0.19 0.00 -0.87 0.00 0.00 66.00 64.40 1p7m h PRO 140 Cb 1.20 -0.18 0.01 0.00 0.13 0.00 0.00 31.00 32.16 1p7m h PRO 140 CO 0.66 0.54 -0.71 0.00 -0.23 0.00 0.00 178.00 178.26 1p7m h ALA 141 N 1.58 0.18 -0.58 -0.56 0.00 -1.95 -1.97 119.26 115.96 1p7m h ALA 141 Ca 0.50 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1p7m h ALA 141 Cb 0.66 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1p7m h ALA 141 CO -0.27 0.52 0.01 0.66 0.00 0.00 0.00 179.25 180.16 1p7m h SER 142 N 0.23 0.97 -0.35 0.00 4.64 -1.52 0.16 113.55 117.68 1p7m h SER 142 Ca -0.07 -0.26 -0.04 0.00 -0.47 0.00 0.00 61.79 60.94 1p7m h SER 142 Cb 1.37 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1p7m h SER 142 CO 0.14 1.02 0.05 -0.78 -0.87 0.00 0.00 176.83 176.39 1p7m h ASP 143 N 0.91 0.57 0.03 4.97 3.58 0.12 -2.33 116.42 124.27 1p7m h ASP 143 Ca 0.17 -0.27 -0.08 0.00 0.42 0.00 0.00 57.03 57.27 1p7m h ASP 143 Cb 0.53 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1p7m h ASP 143 CO 0.03 0.69 -0.22 0.00 -2.88 0.00 0.00 179.24 176.85 1p7m h ALA 144 N 0.90 1.28 -0.71 -0.78 0.00 -1.13 -2.56 119.26 116.25 1p7m h ALA 144 Ca 0.11 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1p7m h ALA 144 Cb 0.37 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 1p7m h ALA 144 CO 0.01 0.48 0.38 1.25 0.00 0.00 0.00 179.25 181.37 1p7m h LEU 145 N 0.30 0.52 -0.55 0.00 7.12 -0.14 -1.35 115.31 121.21 1p7m h LEU 145 Ca 0.05 0.05 -0.13 0.00 0.13 0.00 0.00 57.88 57.98 1p7m h LEU 145 Cb 0.56 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.63 1p7m h LEU 145 CO 0.04 0.31 -0.20 -1.28 -0.13 0.00 0.00 178.44 177.17 1p7m h SER 146 N 0.66 0.97 -0.66 1.25 0.87 -1.12 -2.64 113.55 112.87 1p7m h SER 146 Ca 0.34 -0.36 0.03 0.00 -1.23 0.00 0.00 61.79 60.58 1p7m h SER 146 Cb 0.31 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.96 1p7m h SER 146 CO -0.24 1.13 0.40 0.11 -0.53 0.00 0.00 176.83 177.71 1p7m h LYS 147 N 0.82 0.76 -0.21 2.24 1.57 -1.04 0.37 116.57 121.07 1p7m h LYS 147 Ca 0.11 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1p7m h LYS 147 Cb 0.77 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1p7m h LYS 147 CO 0.06 0.50 -0.06 0.00 -0.57 0.00 0.00 179.45 179.39 1p7m h ALA 148 N 1.29 0.30 -0.64 3.86 0.00 -1.29 -2.55 119.26 120.23 1p7m h ALA 148 Ca 0.27 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1p7m h ALA 148 Cb 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1p7m h ALA 148 CO -0.11 0.09 0.21 -0.07 0.00 0.00 0.00 179.25 179.36 1p7m h LEU 149 N 0.14 0.89 -0.87 0.00 3.38 -1.11 -2.61 115.31 115.14 1p7m h LEU 149 Ca 0.05 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1p7m h LEU 149 Cb 0.51 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1p7m h LEU 149 CO 0.02 0.83 0.46 0.50 0.09 0.00 0.00 178.44 180.34 1p7m h LYS 150 N 0.93 1.23 -0.58 1.13 3.64 -0.13 -1.18 116.57 121.62 1p7m h LYS 150 Ca 0.21 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 1p7m h LYS 150 Cb 0.25 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1p7m h LYS 150 CO -0.01 0.91 0.05 0.87 -2.27 0.00 0.00 179.45 179.00 1p7m h LYS 151 N 1.22 0.96 0.00 1.90 1.57 -1.08 -2.24 116.57 118.91 1p7m h LYS 151 Ca 0.30 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1p7m h LYS 151 Cb 0.06 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1p7m h LYS 151 CO -0.05 0.92 0.00 0.54 -0.57 0.00 0.00 179.45 180.29 1p7m n ARG 152 N -4.21 0.56 -1.71 3.15 1.74 -1.07 -4.72 116.66 110.40 1p7m n ARG 152 Ca 0.03 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.07 1p7m n ARG 152 Cb 0.30 -1.01 -0.01 0.00 -1.02 0.00 0.00 32.46 30.72 1p7m n ARG 152 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p7m n GLY 153 N 0.06 0.39 3.55 -0.13 0.00 -0.84 -4.63 105.19 103.59 1p7m n GLY 153 Ca 0.00 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1p7m n GLY 153 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1p7m s PHE 154 N -2.19 3.11 0.68 1.61 2.19 -0.47 -4.73 117.98 118.18 1p7m s PHE 154 Ca 0.00 0.19 0.01 0.00 0.33 0.00 0.00 56.93 57.46 1p7m s PHE 154 Cb 0.00 -3.26 0.11 0.00 -1.31 0.00 0.00 43.02 38.56 1p7m s PHE 154 CO 0.00 -0.75 0.93 0.15 1.83 0.00 0.00 175.22 177.39 1p7m s LYS 155 N 2.80 1.89 -1.16 10.12 1.02 -1.26 -4.12 119.74 129.03 1p7m s LYS 155 Ca 0.24 -1.13 -0.05 0.00 0.02 0.00 0.00 55.97 55.06 1p7m s LYS 155 Cb -0.14 -2.39 -0.03 0.00 -0.52 0.00 0.00 37.83 34.75 1p7m s LYS 155 CO 0.17 -1.26 0.88 1.19 -0.92 0.00 0.00 175.35 175.41 1p7m n PHE 156 N -2.68 -2.20 -2.75 3.18 3.72 -1.26 -4.92 117.46 110.54 1p7m n PHE 156 Ca 0.14 0.83 -0.00 0.00 -0.05 0.00 0.00 57.45 58.37 1p7m n PHE 156 Cb 0.61 -4.40 0.05 0.00 -0.94 0.00 0.00 39.48 34.79 1p7m n PHE 156 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1p7m n VAL 157 N -3.83 1.11 -0.80 -4.37 0.24 -1.26 -4.38 118.33 105.04 1p7m n VAL 157 Ca -0.19 -2.65 -0.34 0.00 -2.04 0.00 0.00 64.34 59.13 1p7m n VAL 157 Cb 0.64 1.16 0.12 0.00 -1.47 0.00 0.00 33.84 34.30 1p7m n VAL 157 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1p7m n GLY 158 N -0.42 -2.62 0.38 7.63 0.00 -1.26 -4.40 105.19 104.50 1p7m n GLY 158 Ca 0.08 -0.71 0.16 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.62 0.78 -0.34 2.61 2.02 -1.93 0.34 112.91 114.77 1p7m h THR 159 Ca -0.47 -0.15 -0.13 0.00 0.77 0.00 0.00 66.41 66.44 1p7m h THR 159 Cb 1.32 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1p7m h THR 159 CO 0.33 0.08 -0.31 0.74 0.37 0.00 0.00 175.52 176.73 1p7m h THR 160 N 0.42 1.28 -0.54 3.16 2.02 -1.86 -2.71 112.91 114.69 1p7m h THR 160 Ca 0.39 -1.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.12 1p7m h THR 160 Cb 0.89 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 1p7m h THR 160 CO -0.13 0.47 0.31 0.40 0.37 0.00 0.00 175.52 176.95 1p7m h ILE 161 N 0.61 1.17 0.05 3.11 1.08 -0.61 0.44 117.51 123.35 1p7m h ILE 161 Ca 0.07 -0.39 0.01 0.00 -0.39 0.00 0.00 64.86 64.16 1p7m h ILE 161 Cb 0.83 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 1p7m h ILE 161 CO 0.07 0.17 -0.10 0.00 -0.69 0.00 0.00 178.15 177.61 1p7m h TYR 163 N -0.19 0.88 -0.94 0.00 5.03 -1.25 -2.83 116.97 117.66 1p7m h TYR 163 Ca 0.02 -0.33 0.03 0.00 2.58 0.00 0.00 58.73 61.03 1p7m h TYR 163 Cb 0.21 -0.16 -0.05 0.00 1.55 0.00 0.00 36.73 38.28 1p7m h TYR 163 CO -0.14 1.11 0.62 0.77 -1.32 0.00 0.00 178.16 179.19 1p7m h SER 164 N 0.52 1.04 0.50 -2.11 0.02 0.03 -2.53 113.55 111.01 1p7m h SER 164 Ca 0.00 -0.02 -0.26 0.00 -0.84 0.00 0.00 61.79 60.68 1p7m h SER 164 Cb 1.17 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 63.47 1p7m h SER 164 CO 0.12 0.73 -1.13 2.19 -1.14 0.00 0.00 176.83 177.59 1p7m h PHE 165 N 1.21 0.56 -0.70 3.45 -5.15 -1.49 -3.23 116.94 111.59 1p7m h PHE 165 Ca 0.36 -0.37 0.06 0.00 -0.20 0.00 0.00 57.97 57.82 1p7m h PHE 165 Cb -0.05 -0.04 -0.04 0.00 0.22 0.00 0.00 35.95 36.04 1p7m h PHE 165 CO -0.01 1.24 0.46 0.52 -2.00 0.00 0.00 178.31 178.52 1p7m h MET 166 N 0.14 0.73 -0.69 6.09 2.86 -1.23 0.89 114.93 123.73 1p7m h MET 166 Ca -0.12 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1p7m h MET 166 Cb 1.82 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 33.29 1p7m h MET 166 CO 0.19 0.48 0.37 0.37 1.06 0.00 0.00 176.91 179.39 1p7m h GLN 167 N 0.75 0.96 0.17 1.72 5.75 -1.48 -2.68 115.11 120.30 1p7m h GLN 167 Ca 0.30 -0.11 -0.32 0.00 -0.15 0.00 0.00 58.65 58.36 1p7m h GLN 167 Cb 0.21 -0.19 0.01 0.00 1.07 0.00 0.00 27.48 28.58 1p7m h GLN 167 CO -0.09 0.72 -1.56 0.00 -2.65 0.00 0.00 178.83 175.25 1p7m h ALA 168 N 1.18 0.13 -0.24 3.38 0.00 -1.30 -3.30 119.26 119.11 1p7m h ALA 168 Ca 0.24 -1.05 0.07 0.00 0.00 0.00 0.00 54.91 54.17 1p7m h ALA 168 Cb 0.05 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1p7m h ALA 168 CO -0.04 1.00 0.25 0.00 0.00 0.00 0.00 179.25 180.45 1p7m n GLY 170 N -1.44 0.41 0.36 0.00 0.00 -1.03 -3.77 105.19 99.71 1p7m n GLY 170 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 0.79 -7.63 0.99 3.38 -1.76 -3.40 115.31 107.67 1p7m h LEU 171 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.62 1p7m h LEU 171 Cb 0.00 -0.17 -0.34 0.00 0.09 0.00 0.00 40.66 40.24 1p7m h LEU 171 CO 0.00 0.52 -0.75 0.68 0.09 0.00 0.00 178.44 178.98 1p7m s VAL 172 N -5.79 0.24 -0.21 1.22 -7.23 -1.22 -2.41 120.40 105.00 1p7m s VAL 172 Ca -0.11 0.05 -0.07 0.00 -1.81 0.00 0.00 61.98 60.04 1p7m s VAL 172 Cb 0.19 -0.32 -0.04 0.00 0.56 0.00 0.00 36.38 36.78 1p7m s VAL 172 CO 0.78 0.16 0.06 0.21 -0.31 0.00 0.00 175.10 176.01 1p7m s ASN 173 N 1.01 5.37 -0.04 4.85 3.84 -0.75 -4.54 114.94 124.68 1p7m s ASN 173 Ca -0.10 -0.06 0.01 0.00 0.21 0.00 0.00 52.86 52.91 1p7m s ASN 173 Cb -0.14 -1.94 0.02 0.00 -0.55 0.00 0.00 41.25 38.64 1p7m s ASN 173 CO -0.01 0.07 0.59 -0.90 -2.79 0.00 0.00 177.10 174.06 1p7m n ASP 174 N 4.20 -0.14 -0.14 -4.21 5.68 -1.26 -2.97 116.55 117.71 1p7m n ASP 174 Ca -0.16 -1.10 -0.05 0.00 -0.50 0.00 0.00 54.79 52.98 1p7m n ASP 174 Cb 0.52 0.10 0.02 0.00 -1.14 0.00 0.00 41.12 40.62 1p7m n ASP 174 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 1p7m h HIS 175 N 0.12 -0.57 0.00 2.11 -0.00 -1.92 -3.38 115.15 111.51 1p7m h HIS 175 Ca -0.06 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1p7m h HIS 175 Cb 1.03 0.32 0.00 0.00 -0.00 0.00 0.00 27.41 28.76 1p7m h HIS 175 CO -0.22 -0.31 0.00 1.55 -0.00 0.00 0.00 177.93 178.96 1p7m n VAL 176 N -5.40 0.00 -1.86 2.45 3.14 -1.26 -4.74 118.33 110.66 1p7m n VAL 176 Ca 0.03 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 61.00 1p7m n VAL 176 Cb 0.31 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.07 1p7m n VAL 176 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1p7m s VAL 177 N -2.00 2.27 0.00 1.55 1.01 0.60 -2.89 120.40 120.94 1p7m s VAL 177 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1p7m s VAL 177 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1p7m s VAL 177 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1p7m n GLY 178 N 2.09 0.91 3.45 4.51 0.00 -1.11 -4.95 105.19 110.09 1p7m n GLY 178 Ca 0.07 -0.64 -0.44 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 1.77 0.49 0.00 6.14 -0.72 -4.96 117.35 120.06 1p7m s TYR 182 Ca 0.00 0.05 -0.20 0.00 0.64 0.00 0.00 57.07 57.56 1p7m s TYR 182 Cb 0.00 -4.01 -0.08 0.00 0.42 0.00 0.00 41.96 38.29 1p7m s TYR 182 CO 0.00 -4.26 1.03 -1.25 0.64 0.00 0.00 175.55 171.71 1p7m s PRO 183 N 4.27 3.82 0.00 4.97 0.04 -1.26 -2.75 135.00 144.09 1p7m s PRO 183 Ca 0.78 1.33 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1p7m s PRO 183 Cb -0.35 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1p7m s PRO 183 CO 0.33 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.37 1p7m n GLY 184 N -0.34 0.83 0.40 0.56 0.00 -1.26 -4.73 105.19 100.65 1p7m n GLY 184 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 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 1.19 -4.84 1.61 3.02 -1.26 -4.88 115.26 110.10 1p7m n ASN 185 Ca 0.00 -1.77 -0.32 0.00 -0.03 0.00 0.00 54.58 52.46 1p7m n ASN 185 Cb 0.00 -0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 1p7m n ASN 185 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1p7m s LYS 186 N -1.79 3.94 0.00 3.52 1.02 -1.26 -5.17 119.74 120.01 1p7m s LYS 186 Ca 0.25 0.97 0.11 0.00 0.02 0.00 0.00 55.97 57.32 1p7m s LYS 186 Cb 0.13 -2.13 0.63 0.00 -0.52 0.00 0.00 37.83 35.93 1p7m s LYS 186 CO 0.19 -0.28 1.07 -0.35 -0.92 0.00 0.00 175.35 175.06