#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 2.77 0.19 3.17 2.02 -1.26 -5.00 118.70 120.59 1p7m s GLU 2 Ca 0.00 -0.60 0.11 0.00 0.02 0.00 0.00 54.97 54.49 1p7m s GLU 2 Cb 0.00 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.69 1p7m s GLU 2 CO 0.00 -0.54 -0.19 1.03 0.02 0.00 0.00 175.26 175.58 1p7m s ARG 3 N -4.70 1.71 0.14 1.61 0.52 -1.26 -2.62 118.95 114.36 1p7m s ARG 3 Ca 0.53 -1.46 -0.34 0.00 -0.52 0.00 0.00 55.73 53.94 1p7m s ARG 3 Cb -0.10 -1.95 -0.15 0.00 0.52 0.00 0.00 34.95 33.27 1p7m s ARG 3 CO 0.39 0.41 1.39 0.00 0.02 0.00 0.00 175.30 177.50 1p7m h GLY 5 N 4.72 0.00 0.59 0.00 0.00 -1.96 0.97 103.07 107.38 1p7m h GLY 5 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1p7m h GLY 5 CO 0.79 0.00 -0.08 1.87 0.00 0.00 0.00 176.54 179.13 1p7m n TRP 6 N -4.12 0.00 0.01 5.60 -0.00 -1.26 -3.45 117.44 114.21 1p7m n TRP 6 Ca 0.05 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.59 1p7m n TRP 6 Cb 0.43 -0.11 -0.11 0.00 -0.00 0.00 0.00 31.31 31.52 1p7m n TRP 6 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1p7m n VAL 7 N -0.71 0.68 0.37 5.87 0.31 0.33 -4.03 118.33 121.16 1p7m n VAL 7 Ca 0.17 -0.62 0.01 0.00 -0.01 0.00 0.00 64.34 63.88 1p7m n VAL 7 Cb 0.27 -0.34 0.06 0.00 -0.91 0.00 0.00 33.84 32.91 1p7m n VAL 7 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1p7m n SER 8 N -2.60 0.00 -1.88 4.52 7.64 -1.03 -4.63 113.62 115.64 1p7m n SER 8 Ca -0.10 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.47 1p7m n SER 8 Cb 0.74 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 1p7m n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p7m n GLN 9 N -0.66 0.84 -1.25 1.43 6.02 -1.26 -5.01 117.38 117.49 1p7m n GLN 9 Ca 0.01 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.64 1p7m n GLN 9 Cb 0.01 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.32 1p7m n GLN 9 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1p7m n ASP 10 N -2.51 -1.96 0.32 1.08 9.92 -1.26 -4.78 116.55 117.35 1p7m n ASP 10 Ca 0.00 0.58 0.18 0.00 -0.53 0.00 0.00 54.79 55.02 1p7m n ASP 10 Cb 0.00 -1.12 0.97 0.00 -0.64 0.00 0.00 41.12 40.33 1p7m n ASP 10 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1p7m h PRO 11 N -0.33 0.00 -0.80 -0.24 0.13 -1.95 -2.24 132.00 126.58 1p7m h PRO 11 Ca -0.45 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.72 1p7m h PRO 11 Cb 1.36 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.45 1p7m h PRO 11 CO 0.41 0.00 0.52 -0.07 -0.23 0.00 0.00 178.00 178.63 1p7m h LEU 12 N 0.00 0.83 -0.90 1.56 3.38 -1.97 -1.33 115.31 116.88 1p7m h LEU 12 Ca 0.01 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1p7m h LEU 12 Cb 0.41 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1p7m h LEU 12 CO -0.00 0.57 -0.21 1.88 0.09 0.00 0.00 178.44 180.76 1p7m h TYR 13 N 0.96 0.63 -0.68 1.13 0.05 -1.72 -2.61 116.97 114.73 1p7m h TYR 13 Ca 0.32 -0.13 0.01 0.00 0.05 0.00 0.00 58.73 58.99 1p7m h TYR 13 Cb 0.07 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.62 1p7m h TYR 13 CO -0.00 0.74 0.45 0.82 -1.05 0.00 0.00 178.16 179.12 1p7m h ILE 14 N 0.50 1.16 -0.01 -2.88 2.04 -1.39 0.97 117.51 117.91 1p7m h ILE 14 Ca 0.08 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 1p7m h ILE 14 Cb 0.65 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1p7m h ILE 14 CO 0.05 0.16 -0.00 0.00 0.00 0.00 0.00 178.15 178.36 1p7m h ALA 15 N 1.58 0.01 -0.67 1.87 0.00 -1.27 1.00 119.26 121.77 1p7m h ALA 15 Ca 0.26 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1p7m h ALA 15 Cb -0.07 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1p7m h ALA 15 CO -0.06 -0.29 0.23 -0.92 0.00 0.00 0.00 179.25 178.21 1p7m h TYR 16 N -0.39 1.06 -0.25 0.00 3.20 -1.21 -2.13 116.97 117.24 1p7m h TYR 16 Ca 0.00 -0.10 -0.14 0.00 3.14 0.00 0.00 58.73 61.63 1p7m h TYR 16 Cb 0.41 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 1p7m h TYR 16 CO 0.07 0.85 -0.40 1.25 -1.64 0.00 0.00 178.16 178.29 1p7m h HIS 17 N 0.97 0.89 0.00 -3.82 2.76 0.10 -2.94 115.15 113.11 1p7m h HIS 17 Ca 0.22 -0.30 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 1p7m h HIS 17 Cb 0.27 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.06 1p7m h HIS 17 CO 0.02 1.08 0.00 -0.25 -1.30 0.00 0.00 177.93 177.48 1p7m n ASP 18 N -4.19 0.06 0.00 3.26 8.00 0.34 -3.88 116.55 120.15 1p7m n ASP 18 Ca -0.05 0.52 0.00 0.00 0.71 0.00 0.00 54.79 55.97 1p7m n ASP 18 Cb 0.54 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1p7m n ASP 18 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1p7m n ASN 19 N -1.57 0.00 0.08 -2.24 3.02 -0.82 -5.01 115.26 108.72 1p7m n ASN 19 Ca 0.03 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1p7m n ASN 19 Cb 0.17 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 1p7m n ASN 19 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1p7m n GLU 20 N -1.08 0.00 -3.56 3.52 1.02 -1.24 -5.05 120.64 114.26 1p7m n GLU 20 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1p7m n GLU 20 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 -2.96 -0.50 0.00 -0.32 -0.00 -1.26 -4.03 117.44 108.38 1p7m n TRP 21 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 57.50 57.59 1p7m n TRP 21 Cb 0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 31.31 30.44 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 -1.17 0.50 0.00 5.87 0.00 -1.14 -4.83 105.19 104.42 1p7m n GLY 22 Ca -0.06 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1p7m n GLY 22 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1p7m n VAL 23 N 0.00 0.00 -3.29 1.61 3.14 -1.26 -4.85 118.33 113.69 1p7m n VAL 23 Ca 0.00 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.06 1p7m n VAL 23 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.73 1p7m n VAL 23 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1p7m s PRO 24 N -0.02 3.83 0.70 1.45 0.04 -1.26 -4.98 135.00 134.76 1p7m s PRO 24 Ca 0.00 0.37 -0.14 0.00 0.04 0.00 0.00 61.00 61.27 1p7m s PRO 24 Cb 0.00 -2.57 0.02 0.00 0.04 0.00 0.00 34.50 31.99 1p7m s PRO 24 CO 0.00 0.23 1.11 -2.00 0.04 0.00 0.00 177.00 176.39 1p7m s GLU 25 N -3.03 2.58 -0.08 4.56 2.12 -1.26 -3.88 118.70 119.72 1p7m s GLU 25 Ca 0.49 1.37 -0.19 0.00 0.36 0.00 0.00 54.97 57.01 1p7m s GLU 25 Cb -0.11 -1.92 -0.05 0.00 0.26 0.00 0.00 34.13 32.31 1p7m s GLU 25 CO 0.22 -1.42 0.51 0.95 -0.54 0.00 0.00 175.26 174.98 1p7m s THR 26 N -2.45 5.10 0.03 -1.70 -4.23 -1.25 -4.91 115.64 106.24 1p7m s THR 26 Ca 0.66 1.03 0.02 0.00 -1.18 0.00 0.00 61.69 62.22 1p7m s THR 26 Cb -0.20 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.76 1p7m s THR 26 CO 0.45 0.37 0.05 -1.81 -0.54 0.00 0.00 174.62 173.15 1p7m s ASP 27 N 0.28 5.44 0.36 3.99 1.01 -1.26 -4.83 116.67 121.66 1p7m s ASP 27 Ca 0.27 0.03 0.03 0.00 0.71 0.00 0.00 52.55 53.60 1p7m s ASP 27 Cb -0.16 -1.48 0.66 0.00 1.01 0.00 0.00 42.92 42.95 1p7m s ASP 27 CO 0.12 0.23 1.99 0.28 0.21 0.00 0.00 175.17 178.01 1p7m h SER 28 N 3.83 0.64 0.01 0.27 0.02 -1.95 -0.51 113.55 115.88 1p7m h SER 28 Ca -0.48 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1p7m h SER 28 Cb 1.17 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1p7m h SER 28 CO 0.62 0.51 -0.01 0.11 -1.14 0.00 0.00 176.83 176.93 1p7m h LYS 29 N 0.74 -0.02 -0.43 3.45 1.57 -2.00 -2.95 116.57 116.93 1p7m h LYS 29 Ca 0.19 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1p7m h LYS 29 Cb -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1p7m h LYS 29 CO -0.03 0.70 0.16 1.57 -0.57 0.00 0.00 179.45 181.28 1p7m h LYS 30 N -0.78 0.62 -0.52 3.15 2.10 -1.94 -1.51 116.57 117.69 1p7m h LYS 30 Ca -0.00 -0.09 -0.04 0.00 -2.00 0.00 0.00 60.65 58.52 1p7m h LYS 30 Cb 0.73 -0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 31.92 1p7m h LYS 30 CO 0.00 0.52 0.15 -0.07 -2.00 0.00 0.00 179.45 178.05 1p7m h LEU 31 N 0.61 0.72 -0.72 7.07 3.38 -1.15 -1.54 115.31 123.69 1p7m h LEU 31 Ca 0.15 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1p7m h LEU 31 Cb 0.15 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1p7m h LEU 31 CO -0.01 0.70 0.46 0.15 0.09 0.00 0.00 178.44 179.83 1p7m h PHE 32 N 0.76 0.87 -0.37 1.13 3.57 -1.09 -0.32 116.94 121.50 1p7m h PHE 32 Ca 0.17 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.56 1p7m h PHE 32 Cb 0.25 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1p7m h PHE 32 CO 0.01 0.52 -0.29 0.93 -2.23 0.00 0.00 178.31 177.25 1p7m h GLU 33 N 0.92 0.80 0.05 1.11 5.08 -1.27 -2.64 114.58 118.64 1p7m h GLU 33 Ca 0.28 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1p7m h GLU 33 Cb -0.04 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1p7m h GLU 33 CO -0.08 0.99 -0.03 1.98 -1.00 0.00 0.00 179.01 180.87 1p7m h MET 34 N 0.68 -0.07 0.00 2.33 4.05 -0.51 -1.02 114.93 120.39 1p7m h MET 34 Ca 0.08 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 1p7m h MET 34 Cb 0.83 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.64 1p7m h MET 34 CO 0.07 0.11 -0.10 0.97 0.23 0.00 0.00 176.91 178.18 1p7m h ILE 35 N -0.24 0.78 0.18 1.77 6.09 -1.09 0.57 117.51 125.57 1p7m h ILE 35 Ca -0.01 -0.40 -0.01 0.00 -1.37 0.00 0.00 64.86 63.07 1p7m h ILE 35 Cb 0.21 1.24 0.00 0.00 0.47 0.00 0.00 36.82 38.74 1p7m h ILE 35 CO 0.01 0.10 -0.09 0.00 -3.07 0.00 0.00 178.15 175.11 1p7m h LEU 37 N -0.79 0.97 -0.59 0.00 3.38 -0.88 -1.02 115.31 116.37 1p7m h LEU 37 Ca -0.02 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.60 1p7m h LEU 37 Cb 0.52 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1p7m h LEU 37 CO 0.04 0.97 -0.16 -0.08 0.09 0.00 0.00 178.44 179.31 1p7m h GLU 38 N 0.95 0.96 -0.52 1.13 4.57 0.14 -2.65 114.58 119.15 1p7m h GLU 38 Ca 0.19 -0.37 -0.07 0.00 -1.18 0.00 0.00 59.36 57.92 1p7m h GLU 38 Cb 0.43 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1p7m h GLU 38 CO 0.01 1.04 0.03 0.78 -1.18 0.00 0.00 179.01 179.69 1p7m h GLY 39 N 0.93 0.92 1.49 1.92 0.00 0.81 -1.66 103.07 107.49 1p7m h GLY 39 Ca 0.12 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1p7m h GLY 39 CO 0.05 0.56 0.00 -0.18 0.00 0.00 0.00 176.54 176.98 1p7m n GLN 40 N -4.22 0.41 0.00 4.80 7.27 -0.43 -2.96 117.38 122.25 1p7m n GLN 40 Ca 0.03 0.05 0.10 0.00 0.07 0.00 0.00 57.00 57.25 1p7m n GLN 40 Cb 0.29 -1.50 0.62 0.00 2.41 0.00 0.00 30.24 32.06 1p7m n GLN 40 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1p7m n GLN 41 N -1.24 0.91 -1.99 3.69 10.64 -0.62 -4.51 117.38 124.25 1p7m n GLN 41 Ca 0.13 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.88 1p7m n GLN 41 Cb 0.18 -1.36 -0.03 0.00 -0.86 0.00 0.00 30.24 28.17 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 -2.00 3.70 0.00 2.61 0.00 -1.16 -2.27 121.76 122.64 1p7m s ALA 42 Ca 0.31 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.60 1p7m s ALA 42 Cb 0.14 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1p7m s ALA 42 CO 0.24 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.66 1p7m n GLY 43 N 3.08 1.02 3.87 0.00 0.00 -1.26 -4.88 105.19 107.02 1p7m n GLY 43 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 4.41 0.65 0.99 1.43 -0.96 -5.07 118.68 120.13 1p7m s LEU 44 Ca 0.00 0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 53.55 1p7m s LEU 44 Cb 0.00 -2.21 -0.00 0.00 0.03 0.00 0.00 46.19 44.00 1p7m s LEU 44 CO 0.00 0.38 1.12 -0.44 0.23 0.00 0.00 176.35 177.64 1p7m s SER 45 N -1.03 5.10 0.29 2.29 0.01 -1.26 -4.61 113.70 114.49 1p7m s SER 45 Ca 0.17 2.05 0.02 0.00 1.31 0.00 0.00 55.95 59.50 1p7m s SER 45 Cb -0.13 -2.56 0.56 0.00 0.21 0.00 0.00 66.02 64.10 1p7m s SER 45 CO 0.07 -1.63 1.85 -0.25 0.41 0.00 0.00 173.24 173.68 1p7m h TRP 46 N 0.13 1.11 -0.52 2.43 2.91 -1.98 -0.20 115.95 119.84 1p7m h TRP 46 Ca -0.47 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 59.50 1p7m h TRP 46 Cb 1.25 -0.36 -0.02 0.00 -0.51 0.00 0.00 29.16 29.52 1p7m h TRP 46 CO 0.54 0.47 0.02 0.82 -1.03 0.00 0.00 178.44 179.25 1p7m h ILE 47 N 0.99 1.25 -0.85 2.65 1.08 -2.00 -1.92 117.51 118.71 1p7m h ILE 47 Ca 0.48 -1.02 0.05 0.00 -0.39 0.00 0.00 64.86 63.97 1p7m h ILE 47 Cb 0.45 0.83 -0.06 0.00 -3.07 0.00 0.00 36.82 34.98 1p7m h ILE 47 CO -0.24 0.36 0.54 0.74 -0.69 0.00 0.00 178.15 178.86 1p7m h THR 48 N 0.80 1.09 -0.09 -0.27 2.02 -1.39 0.64 112.91 115.71 1p7m h THR 48 Ca 0.16 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 66.91 1p7m h THR 48 Cb 0.46 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1p7m h THR 48 CO 0.02 0.19 -0.31 1.62 0.37 0.00 0.00 175.52 177.41 1p7m h VAL 49 N 1.01 1.26 -0.16 3.16 3.04 -0.98 -2.59 116.25 120.99 1p7m h VAL 49 Ca 0.35 -1.22 0.01 0.00 -1.01 0.00 0.00 66.70 64.83 1p7m h VAL 49 Cb 0.08 1.53 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 1p7m h VAL 49 CO -0.14 0.36 0.09 0.25 -1.01 0.00 0.00 177.57 177.12 1p7m h LEU 50 N 0.16 0.14 -0.32 3.16 5.85 -0.11 2.41 115.31 126.59 1p7m h LEU 50 Ca 0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1p7m h LEU 50 Cb 0.63 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1p7m h LEU 50 CO 0.05 0.11 0.16 0.11 -0.34 0.00 0.00 178.44 178.52 1p7m h LYS 51 N 0.19 0.45 0.00 1.25 1.57 -1.30 -0.79 116.57 117.94 1p7m h LYS 51 Ca 0.06 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1p7m h LYS 51 Cb -0.00 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1p7m h LYS 51 CO -0.03 0.41 0.00 0.87 -0.57 0.00 0.00 179.45 180.13 1p7m h LYS 52 N 0.38 0.00 -0.27 3.15 6.56 -1.06 -2.95 116.57 122.37 1p7m h LYS 52 Ca 0.11 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.68 1p7m h LYS 52 Cb 0.11 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.75 1p7m h LYS 52 CO -0.01 0.00 0.09 -0.09 -2.06 0.00 0.00 179.45 177.38 1p7m h ARG 53 N 0.00 0.41 -0.29 3.15 2.43 0.56 1.47 114.38 122.11 1p7m h ARG 53 Ca 0.00 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 1p7m h ARG 53 Cb 0.51 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1p7m h ARG 53 CO 0.00 0.46 0.02 1.49 -1.51 0.00 0.00 179.97 180.43 1p7m h GLU 54 N 0.28 0.51 -0.35 0.20 4.81 -1.35 -0.99 114.58 117.68 1p7m h GLU 54 Ca 0.09 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 1p7m h GLU 54 Cb 0.22 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1p7m h GLU 54 CO -0.00 0.64 -0.12 -0.91 -0.73 0.00 0.00 179.01 177.88 1p7m h ASN 55 N 0.30 0.72 -0.27 1.04 2.35 -1.43 -2.80 115.58 115.49 1p7m h ASN 55 Ca 0.08 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1p7m h ASN 55 Cb 0.40 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1p7m h ASN 55 CO 0.01 0.94 0.17 0.22 -1.65 0.00 0.00 177.43 177.13 1p7m h TYR 56 N 0.49 0.35 -0.54 1.19 3.20 0.21 -1.90 116.97 119.97 1p7m h TYR 56 Ca 0.08 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.01 1p7m h TYR 56 Cb 0.65 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 1p7m h TYR 56 CO 0.05 0.24 0.36 0.00 -1.64 0.00 0.00 178.16 177.18 1p7m h ARG 57 N 0.36 0.50 -0.75 1.82 3.08 -1.15 -1.80 114.38 116.44 1p7m h ARG 57 Ca 0.10 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 1p7m h ARG 57 Cb -0.01 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 1p7m h ARG 57 CO -0.02 0.33 0.25 0.00 -1.07 0.00 0.00 179.97 179.46 1p7m h ALA 58 N 1.70 1.02 -0.11 0.04 0.00 -1.07 0.47 119.26 121.31 1p7m h ALA 58 Ca 0.23 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1p7m h ALA 58 Cb 0.25 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1p7m h ALA 58 CO -0.06 0.66 -0.44 0.00 0.00 0.00 0.00 179.25 179.41 1p7m n PHE 60 N -4.28 0.82 0.31 0.00 3.01 -0.95 -4.42 117.46 111.95 1p7m n PHE 60 Ca -0.08 -0.41 0.00 0.00 1.01 0.00 0.00 57.45 57.98 1p7m n PHE 60 Cb 0.56 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 1p7m n PHE 60 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1p7m n HIS 61 N 1.28 0.00 0.10 1.38 8.25 0.16 -2.66 115.22 123.73 1p7m n HIS 61 Ca 0.20 -0.02 -0.15 0.00 -0.26 0.00 0.00 57.72 57.49 1p7m n HIS 61 Cb 0.51 -0.05 -0.11 0.00 1.12 0.00 0.00 29.99 31.46 1p7m n HIS 61 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1p7m h GLN 62 N 0.80 0.28 0.00 -0.41 1.08 -1.84 -3.48 115.11 111.53 1p7m h GLN 62 Ca 0.00 -0.43 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 1p7m h GLN 62 Cb 0.18 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1p7m h GLN 62 CO 0.00 1.18 0.00 1.19 -0.95 0.00 0.00 178.83 180.25 1p7m n PHE 63 N -3.57 0.00 0.00 2.96 3.72 -1.09 -5.11 117.46 114.37 1p7m n PHE 63 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1p7m n PHE 63 Cb 0.97 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.51 1p7m n PHE 63 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1p7m n ASP 64 N 0.00 0.00 0.00 4.37 8.00 -1.26 -5.05 116.55 122.61 1p7m n ASP 64 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1p7m n ASP 64 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1p7m n ASP 64 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1p7m n PRO 65 N 0.00 0.00 -0.22 -0.24 -0.04 -1.26 -4.53 135.00 128.71 1p7m n PRO 65 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 1p7m n PRO 65 Cb 0.00 0.00 0.26 0.00 -0.04 0.00 0.00 33.50 33.72 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 1.15 -0.67 0.52 2.07 -1.99 -2.22 116.25 115.11 1p7m h VAL 66 Ca 0.00 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.26 1p7m h VAL 66 Cb 0.00 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.81 1p7m h VAL 66 CO 0.00 0.18 0.44 0.11 0.02 0.00 0.00 177.57 178.32 1p7m h LYS 67 N 0.98 0.61 -0.08 1.57 6.56 -1.98 -0.62 116.57 123.61 1p7m h LYS 67 Ca 0.30 -0.04 -0.20 0.00 -1.06 0.00 0.00 60.65 59.65 1p7m h LYS 67 Cb -0.01 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 31.51 1p7m h LYS 67 CO -0.08 0.41 -0.78 -0.39 -2.06 0.00 0.00 179.45 176.54 1p7m h VAL 68 N 0.63 1.36 0.00 0.50 -1.51 -1.64 -1.67 116.25 113.92 1p7m h VAL 68 Ca 0.29 -2.16 -0.00 0.00 -1.23 0.00 0.00 66.70 63.61 1p7m h VAL 68 Cb 0.33 2.14 -0.00 0.00 -2.13 0.00 0.00 31.29 31.64 1p7m h VAL 68 CO -0.09 0.66 -0.00 0.00 -1.23 0.00 0.00 177.57 176.90 1p7m h ALA 69 N 0.81 1.05 0.00 5.19 0.00 -1.00 0.67 119.26 125.97 1p7m h ALA 69 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1p7m h ALA 69 Cb 1.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1p7m h ALA 69 CO 0.14 0.00 -0.67 0.00 0.00 0.00 0.00 179.25 178.72 1p7m n ALA 70 N -2.10 3.62 -2.44 0.00 0.00 -0.48 -4.79 120.51 114.33 1p7m n ALA 70 Ca -0.03 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 1p7m n ALA 70 Cb 0.08 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 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 -3.05 4.22 0.48 0.00 -1.94 0.23 -5.00 119.30 114.25 1p7m s MET 71 Ca 0.09 1.63 0.03 0.00 -1.71 0.00 0.00 55.69 55.73 1p7m s MET 71 Cb 0.16 -3.76 0.02 0.00 2.01 0.00 0.00 34.83 33.26 1p7m s MET 71 CO 0.74 -0.72 0.68 -1.14 -0.01 0.00 0.00 175.02 174.57 1p7m s GLN 72 N 3.50 2.76 0.59 2.03 0.74 -1.26 -4.91 119.66 123.12 1p7m s GLN 72 Ca 0.54 -0.86 0.29 0.00 0.05 0.00 0.00 55.36 55.38 1p7m s GLN 72 Cb -0.21 -2.60 1.38 0.00 1.10 0.00 0.00 33.01 32.68 1p7m s GLN 72 CO 0.14 -0.45 1.78 0.93 -0.55 0.00 0.00 175.29 177.14 1p7m h GLU 73 N 0.35 0.00 -0.92 1.67 5.08 -1.97 0.54 114.58 119.33 1p7m h GLU 73 Ca -0.43 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.01 1p7m h GLU 73 Cb 1.28 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.47 1p7m h GLU 73 CO 0.51 0.00 0.60 0.93 -1.00 0.00 0.00 179.01 180.05 1p7m h GLU 74 N 0.00 0.99 -0.29 2.33 5.08 -2.00 0.42 114.58 121.12 1p7m h GLU 74 Ca 0.28 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.43 1p7m h GLU 74 Cb 1.56 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1p7m h GLU 74 CO -0.00 0.65 -0.44 0.38 -1.00 0.00 0.00 179.01 178.60 1p7m h ASP 75 N 1.02 0.79 -0.53 1.42 2.03 -0.26 -2.80 116.42 118.09 1p7m h ASP 75 Ca 0.41 -0.37 -0.01 0.00 -0.73 0.00 0.00 57.03 56.32 1p7m h ASP 75 Cb 0.25 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 38.51 1p7m h ASP 75 CO -0.16 1.11 0.28 0.58 -1.03 0.00 0.00 179.24 180.02 1p7m h VAL 76 N 0.59 1.18 -0.18 4.15 2.07 -0.89 0.14 116.25 123.31 1p7m h VAL 76 Ca 0.04 -0.48 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 1p7m h VAL 76 Cb 1.00 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1p7m h VAL 76 CO 0.09 0.20 -0.19 1.05 0.02 0.00 0.00 177.57 178.75 1p7m h GLU 77 N 0.71 0.31 -0.36 1.57 4.11 -1.13 -1.63 114.58 118.17 1p7m h GLU 77 Ca 0.19 -0.09 -0.09 0.00 0.07 0.00 0.00 59.36 59.43 1p7m h GLU 77 Cb 0.07 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1p7m h GLU 77 CO -0.03 0.50 -0.13 -0.09 0.07 0.00 0.00 179.01 179.32 1p7m h ARG 78 N 0.29 0.73 -0.14 1.06 2.43 -1.09 -3.18 114.38 114.47 1p7m h ARG 78 Ca 0.05 -0.30 -0.12 0.00 -0.81 0.00 0.00 59.98 58.80 1p7m h ARG 78 Cb 0.50 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1p7m h ARG 78 CO 0.03 0.90 -0.44 -0.07 -1.51 0.00 0.00 179.97 178.89 1p7m h LEU 79 N 0.52 0.36 -1.87 3.80 3.38 -0.31 -2.88 115.31 118.31 1p7m h LEU 79 Ca 0.09 -0.16 0.33 0.00 0.09 0.00 0.00 57.88 58.22 1p7m h LEU 79 Cb 0.66 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 1p7m h LEU 79 CO 0.04 0.76 0.81 0.58 0.09 0.00 0.00 178.44 180.73 1p7m h VAL 80 N 0.28 0.43 -0.02 1.22 2.07 -1.28 1.17 116.25 120.12 1p7m h VAL 80 Ca 0.02 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1p7m h VAL 80 Cb 0.89 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1p7m h VAL 80 CO 0.07 0.01 -0.44 0.00 0.02 0.00 0.00 177.57 177.24 1p7m n GLN 81 N -4.27 1.31 -2.95 1.57 10.64 -1.10 -4.19 117.38 118.40 1p7m n GLN 81 Ca 0.25 -1.05 -0.43 0.00 -1.83 0.00 0.00 57.00 53.95 1p7m n GLN 81 Cb 1.18 -1.46 -0.05 0.00 -0.86 0.00 0.00 30.24 29.04 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 -2.40 6.40 0.00 2.61 -1.08 0.40 -3.98 116.67 118.61 1p7m s ASP 82 Ca 0.19 -0.16 0.00 0.00 -0.52 0.00 0.00 52.55 52.06 1p7m s ASP 82 Cb 0.18 -2.39 0.00 0.00 -1.46 0.00 0.00 42.92 39.25 1p7m s ASP 82 CO 0.54 -0.96 0.00 0.00 0.52 0.00 0.00 175.17 175.27 1p7m n ALA 83 N 6.81 0.00 -2.44 3.66 0.00 -1.26 -3.37 120.51 123.91 1p7m n ALA 83 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.41 1p7m n ALA 83 Cb 0.48 -0.06 0.01 0.00 0.00 0.00 0.00 19.45 19.88 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 0.41 0.00 0.00 0.00 -1.26 -5.02 105.19 97.53 1p7m n GLY 84 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.51 0.00 -1.51 -0.61 -5.35 -1.22 -4.43 119.36 102.74 1p7m n ILE 85 Ca -0.03 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.31 1p7m n ILE 85 Cb 0.53 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.31 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 -1.68 0.00 -1.50 7.28 2.08 -1.26 -4.79 119.36 119.50 1p7m n ILE 86 Ca 0.00 -0.43 -0.45 0.00 0.56 0.00 0.00 62.75 62.42 1p7m n ILE 86 Cb 0.00 -1.35 -0.06 0.00 -0.75 0.00 0.00 39.64 37.47 1p7m n ILE 86 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1p7m n ARG 87 N 7.59 1.10 0.00 0.38 1.74 -1.26 -4.72 116.66 121.49 1p7m n ARG 87 Ca 0.49 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 1p7m n ARG 87 Cb 0.36 -2.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.11 1p7m n ARG 87 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1p7m n HIS 88 N 11.50 0.00 0.03 -1.55 -0.00 -1.26 -5.01 115.22 118.93 1p7m n HIS 88 Ca 0.41 0.00 0.19 0.00 0.46 0.00 0.00 57.72 58.78 1p7m n HIS 88 Cb 0.31 0.00 0.69 0.00 -0.12 0.00 0.00 29.99 30.87 1p7m n HIS 88 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1p7m h ARG 89 N 0.00 0.00 0.70 1.57 3.08 -1.90 -2.13 114.38 115.70 1p7m h ARG 89 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1p7m h ARG 89 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 1p7m h ARG 89 CO 0.00 0.00 -0.34 0.78 -1.07 0.00 0.00 179.97 179.34 1p7m h GLY 90 N 0.00 -0.98 0.99 0.04 0.00 -1.96 -1.80 103.07 99.37 1p7m h GLY 90 Ca 0.23 0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.91 1p7m h GLY 90 CO -0.00 -0.36 0.34 0.50 0.00 0.00 0.00 176.54 177.02 1p7m h LYS 91 N -1.20 0.84 -0.08 4.80 1.57 -1.87 -2.58 116.57 118.04 1p7m h LYS 91 Ca -0.10 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1p7m h LYS 91 Cb 0.74 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1p7m h LYS 91 CO 0.16 0.63 0.05 0.82 -0.57 0.00 0.00 179.45 180.54 1p7m h ILE 92 N 0.82 1.04 -0.20 1.86 2.04 -1.45 -1.60 117.51 120.03 1p7m h ILE 92 Ca 0.21 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 66.02 1p7m h ILE 92 Cb 0.03 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1p7m h ILE 92 CO -0.04 0.04 0.15 0.06 0.00 0.00 0.00 178.15 178.36 1p7m h GLN 93 N 0.09 0.00 -0.79 2.37 3.07 -1.20 -0.06 115.11 118.58 1p7m h GLN 93 Ca 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.73 1p7m h GLN 93 Cb 0.02 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.54 1p7m h GLN 93 CO -0.01 0.00 0.34 0.00 0.09 0.00 0.00 178.83 179.25 1p7m h ALA 94 N 1.90 1.10 -0.89 0.06 0.00 -0.89 -2.13 119.26 118.41 1p7m h ALA 94 Ca 0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1p7m h ALA 94 Cb 0.38 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1p7m h ALA 94 CO -0.00 0.65 0.56 0.82 0.00 0.00 0.00 179.25 181.28 1p7m h ILE 95 N 1.14 1.24 -0.53 0.00 2.04 -0.75 0.14 117.51 120.79 1p7m h ILE 95 Ca 0.27 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.66 1p7m h ILE 95 Cb 0.18 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.19 1p7m h ILE 95 CO -0.03 0.25 0.31 0.40 0.00 0.00 0.00 178.15 179.08 1p7m h ILE 96 N 1.22 1.02 -0.60 -0.67 5.03 -1.26 -0.69 117.51 121.57 1p7m h ILE 96 Ca 0.32 -0.21 -0.03 0.00 -0.12 0.00 0.00 64.86 64.82 1p7m h ILE 96 Cb -0.08 0.37 -0.03 0.00 -3.03 0.00 0.00 36.82 34.05 1p7m h ILE 96 CO -0.06 0.11 0.25 1.23 -0.68 0.00 0.00 178.15 178.99 1p7m h GLY 97 N 0.60 0.94 0.14 5.37 0.00 -0.74 -2.31 103.07 107.06 1p7m h GLY 97 Ca 0.22 -0.47 0.15 0.00 0.00 0.00 0.00 47.33 47.23 1p7m h GLY 97 CO -0.12 0.45 0.32 3.43 0.00 0.00 0.00 176.54 180.62 1p7m h ASN 98 N 0.86 0.31 -0.72 0.19 -0.26 0.81 0.23 115.58 117.01 1p7m h ASN 98 Ca 0.21 0.11 -0.07 0.00 -0.56 0.00 0.00 56.30 55.99 1p7m h ASN 98 Cb 0.16 0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 37.47 1p7m h ASN 98 CO -0.02 0.11 0.18 0.00 -1.06 0.00 0.00 177.43 176.64 1p7m h ALA 99 N 1.56 0.95 -0.94 -0.83 0.00 -1.22 -1.34 119.26 117.44 1p7m h ALA 99 Ca 0.43 -0.25 0.17 0.00 0.00 0.00 0.00 54.91 55.25 1p7m h ALA 99 Cb 0.65 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1p7m h ALA 99 CO -0.40 0.67 0.60 0.00 0.00 0.00 0.00 179.25 180.12 1p7m h ARG 100 N 1.09 0.67 -0.02 0.00 2.47 -0.45 1.18 114.38 119.31 1p7m h ARG 100 Ca 0.23 -0.04 -0.07 0.00 -1.26 0.00 0.00 59.98 58.83 1p7m h ARG 100 Cb 0.37 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.53 1p7m h ARG 100 CO 0.00 0.44 -0.34 0.00 0.56 0.00 0.00 179.97 180.63 1p7m h ALA 101 N 1.60 1.40 -0.52 0.04 0.00 -0.12 -0.80 119.26 120.86 1p7m h ALA 101 Ca 0.49 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1p7m h ALA 101 Cb 0.84 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1p7m h ALA 101 CO -0.25 0.44 0.20 -0.92 0.00 0.00 0.00 179.25 178.72 1p7m h TYR 102 N 0.03 0.80 -0.37 0.00 5.03 0.20 -0.60 116.97 122.05 1p7m h TYR 102 Ca 0.00 -0.07 -0.04 0.00 2.58 0.00 0.00 58.73 61.20 1p7m h TYR 102 Cb 0.62 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.64 1p7m h TYR 102 CO 0.00 0.67 0.04 -0.07 -1.32 0.00 0.00 178.16 177.49 1p7m h LEU 103 N 0.70 0.53 -1.12 2.82 4.07 -0.44 -1.41 115.31 120.46 1p7m h LEU 103 Ca 0.17 -0.09 -0.03 0.00 0.08 0.00 0.00 57.88 58.02 1p7m h LEU 103 Cb 0.22 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.79 1p7m h LEU 103 CO -0.01 0.57 0.28 1.56 -1.08 0.00 0.00 178.44 179.76 1p7m h GLN 104 N 0.55 0.90 -0.27 1.13 4.20 0.27 1.12 115.11 123.01 1p7m h GLN 104 Ca 0.12 -0.13 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 1p7m h GLN 104 Cb 0.29 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 1p7m h GLN 104 CO 0.00 0.71 -0.40 0.52 -0.67 0.00 0.00 178.83 178.99 1p7m h MET 105 N 0.90 0.76 -0.34 1.46 2.86 -0.43 -1.96 114.93 118.18 1p7m h MET 105 Ca 0.22 -0.45 -0.11 0.00 -2.06 0.00 0.00 59.70 57.30 1p7m h MET 105 Cb 0.12 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1p7m h MET 105 CO -0.03 1.08 -0.20 0.93 1.06 0.00 0.00 176.91 179.75 1p7m h GLU 106 N 0.51 0.74 -0.05 1.72 4.39 -0.66 0.74 114.58 121.95 1p7m h GLU 106 Ca 0.03 -0.34 0.02 0.00 0.34 0.00 0.00 59.36 59.40 1p7m h GLU 106 Cb 1.00 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1p7m h GLU 106 CO 0.09 0.95 0.07 1.96 -1.16 0.00 0.00 179.01 180.93 1p7m h GLN 107 N 0.52 0.00 0.00 2.33 1.08 0.13 1.04 115.11 120.21 1p7m h GLN 107 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1p7m h GLN 107 Cb 0.75 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 1p7m h GLN 107 CO 0.06 0.00 -0.88 0.09 -0.95 0.00 0.00 178.83 177.15 1p7m n ASN 108 N -3.68 0.65 -1.16 1.46 3.02 -0.42 -4.94 115.26 110.20 1p7m n ASN 108 Ca -0.02 -0.36 -0.13 0.00 -0.03 0.00 0.00 54.58 54.05 1p7m n ASN 108 Cb 0.16 0.68 -0.03 0.00 -0.61 0.00 0.00 39.78 39.98 1p7m n ASN 108 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p7m n GLY 109 N 1.43 0.75 3.02 7.41 0.00 0.36 -4.98 105.19 113.17 1p7m n GLY 109 Ca 0.03 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.70 1.58 0.65 1.61 2.02 0.03 -4.97 118.70 115.92 1p7m s GLU 110 Ca 0.00 -1.75 -0.18 0.00 0.02 0.00 0.00 54.97 53.06 1p7m s GLU 110 Cb 0.00 -3.10 -0.01 0.00 0.10 0.00 0.00 34.13 31.11 1p7m s GLU 110 CO 0.00 -0.87 1.22 -2.30 0.02 0.00 0.00 175.26 173.32 1p7m n PRO 111 N 4.31 1.02 -0.35 0.39 -0.02 -1.26 -4.59 135.00 134.50 1p7m n PRO 111 Ca 0.01 0.40 0.01 0.00 -2.02 0.00 0.00 63.50 61.89 1p7m n PRO 111 Cb 0.42 -2.45 0.14 0.00 -0.02 0.00 0.00 33.50 31.59 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 0.45 1.14 -0.13 6.00 -1.00 -1.93 -2.49 116.94 118.97 1p7m h PHE 112 Ca -0.50 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.28 1p7m h PHE 112 Cb 1.34 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 40.52 1p7m h PHE 112 CO 0.40 0.63 -0.06 0.00 -1.61 0.00 0.00 178.31 177.67 1p7m h ALA 113 N 1.41 1.66 0.24 2.45 0.00 -1.86 -2.69 119.26 120.47 1p7m h ALA 113 Ca 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1p7m h ALA 113 Cb 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1p7m h ALA 113 CO -0.14 0.26 -0.12 0.22 0.00 0.00 0.00 179.25 179.47 1p7m h ASP 114 N 0.19 -0.27 -0.44 0.00 3.58 -1.80 -2.44 116.42 115.23 1p7m h ASP 114 Ca 0.04 -0.23 -0.12 0.00 0.42 0.00 0.00 57.03 57.14 1p7m h ASP 114 Cb 0.24 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1p7m h ASP 114 CO 0.01 0.12 -0.20 2.19 -2.88 0.00 0.00 179.24 178.48 1p7m h PHE 115 N -0.72 1.05 -0.07 0.28 -0.00 -1.61 -2.82 116.94 113.04 1p7m h PHE 115 Ca -0.03 -0.26 -0.01 0.00 -0.00 0.00 0.00 57.97 57.67 1p7m h PHE 115 Cb 0.49 -0.24 -0.00 0.00 -0.00 0.00 0.00 35.95 36.19 1p7m h PHE 115 CO 0.04 1.05 0.02 -0.24 -0.00 0.00 0.00 178.31 179.18 1p7m h VAL 116 N 0.75 1.20 -0.36 0.88 3.04 -1.57 -1.64 116.25 118.55 1p7m h VAL 116 Ca 0.10 -0.62 0.11 0.00 -1.01 0.00 0.00 66.70 65.27 1p7m h VAL 116 Cb 0.77 1.48 -0.01 0.00 -2.01 0.00 0.00 31.29 31.51 1p7m h VAL 116 CO 0.06 0.17 0.32 -0.50 -1.01 0.00 0.00 177.57 176.62 1p7m h TRP 117 N -0.10 0.00 -0.17 3.17 -0.00 -1.46 0.78 115.95 118.16 1p7m h TRP 117 Ca 0.02 0.00 -0.17 0.00 -0.00 0.00 0.00 58.89 58.74 1p7m h TRP 117 Cb 0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.42 1p7m h TRP 117 CO 0.01 0.00 -0.60 1.03 -0.00 0.00 0.00 178.44 178.88 1p7m h SER 118 N 0.00 0.64 0.38 -3.49 0.87 -1.04 2.62 113.55 113.52 1p7m h SER 118 Ca 0.17 -0.36 -0.06 0.00 -1.23 0.00 0.00 61.79 60.31 1p7m h SER 118 Cb 0.82 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 1p7m h SER 118 CO -0.00 1.09 -0.29 -0.26 -0.53 0.00 0.00 176.83 176.83 1p7m h PHE 119 N 0.42 0.00 -0.51 2.24 -1.00 -0.41 -1.57 116.94 116.12 1p7m h PHE 119 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1p7m h PHE 119 Cb 1.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.72 1p7m h PHE 119 CO 0.05 0.29 0.00 1.33 -1.61 0.00 0.00 178.31 178.37 1p7m n VAL 120 N -4.01 2.31 -3.28 -0.55 0.24 -1.10 -4.78 118.33 107.16 1p7m n VAL 120 Ca -0.02 -1.19 -0.17 0.00 -2.04 0.00 0.00 64.34 60.92 1p7m n VAL 120 Cb 0.36 -0.26 0.07 0.00 -1.47 0.00 0.00 33.84 32.53 1p7m n VAL 120 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1p7m n ASN 121 N 0.60 -4.11 -0.29 -1.34 4.13 -0.59 -2.28 115.26 111.39 1p7m n ASN 121 Ca 0.24 -0.45 -0.01 0.00 1.68 0.00 0.00 54.58 56.03 1p7m n ASN 121 Cb 1.04 -4.13 -0.01 0.00 -1.54 0.00 0.00 39.78 35.14 1p7m n ASN 121 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1p7m n HIS 122 N -4.09 -0.19 -4.16 3.10 1.44 0.88 -4.83 115.22 107.36 1p7m n HIS 122 Ca -0.09 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.44 1p7m n HIS 122 Cb 0.58 -1.06 -0.12 0.00 0.12 0.00 0.00 29.99 29.52 1p7m n HIS 122 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1p7m s GLN 123 N -0.98 0.79 0.87 -1.40 -0.21 -0.97 -5.03 119.66 112.74 1p7m s GLN 123 Ca 0.00 -0.93 -0.11 0.00 0.02 0.00 0.00 55.36 54.34 1p7m s GLN 123 Cb 0.00 -0.78 0.11 0.00 1.00 0.00 0.00 33.01 33.34 1p7m s GLN 123 CO 0.00 0.17 1.10 -1.25 -2.12 0.00 0.00 175.29 173.19 1p7m s PRO 124 N -1.71 1.48 -0.12 2.91 0.04 -1.26 -4.76 135.00 131.57 1p7m s PRO 124 Ca -0.03 1.12 -0.03 0.00 0.04 0.00 0.00 61.00 62.11 1p7m s PRO 124 Cb -0.10 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 1p7m s PRO 124 CO 0.02 -2.18 -0.01 -1.14 0.04 0.00 0.00 177.00 173.73 1p7m s GLN 125 N -4.83 3.31 -0.32 4.56 -0.44 0.20 -4.96 119.66 117.18 1p7m s GLN 125 Ca 0.63 -0.45 -0.20 0.00 -2.50 0.00 0.00 55.36 52.84 1p7m s GLN 125 Cb -0.19 -2.86 -0.00 0.00 -1.64 0.00 0.00 33.01 28.31 1p7m s GLN 125 CO 0.57 0.49 0.64 -1.64 0.50 0.00 0.00 175.29 175.85 1p7m s MET 126 N -0.31 3.83 -0.42 1.67 -1.94 -1.26 -0.65 119.30 120.22 1p7m s MET 126 Ca 0.06 0.23 -0.22 0.00 -1.71 0.00 0.00 55.69 54.05 1p7m s MET 126 Cb -0.12 -3.76 0.02 0.00 2.01 0.00 0.00 34.83 32.98 1p7m s MET 126 CO 0.02 -0.63 0.71 0.99 -0.01 0.00 0.00 175.02 176.10 1p7m s THR 127 N 2.66 4.76 -0.89 2.05 2.01 -0.63 -4.88 115.64 120.73 1p7m s THR 127 Ca 0.25 0.40 0.10 0.00 0.31 0.00 0.00 61.69 62.76 1p7m s THR 127 Cb -0.15 -4.22 0.49 0.00 0.01 0.00 0.00 72.50 68.63 1p7m s THR 127 CO 0.13 -0.57 1.30 0.00 -0.69 0.00 0.00 174.62 174.79 1p7m n GLN 128 N 6.41 3.13 -2.12 4.92 6.02 -1.26 -4.57 117.38 129.91 1p7m n GLN 128 Ca 0.00 -1.91 -0.40 0.00 -0.01 0.00 0.00 57.00 54.68 1p7m n GLN 128 Cb 0.48 -1.83 -0.01 0.00 1.02 0.00 0.00 30.24 29.89 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 -1.93 3.33 -0.87 -1.58 0.00 -1.26 -4.91 121.76 114.53 1p7m s ALA 129 Ca 0.34 1.19 0.22 0.00 0.00 0.00 0.00 51.96 53.71 1p7m s ALA 129 Cb 0.24 -3.46 -0.17 0.00 0.00 0.00 0.00 23.12 19.73 1p7m s ALA 129 CO 0.13 -0.70 0.90 0.25 0.00 0.00 0.00 175.76 176.34 1p7m n THR 130 N 0.37 0.01 -3.91 0.00 -2.24 -1.26 -4.23 114.28 103.01 1p7m n THR 130 Ca 0.02 -0.07 -0.08 0.00 -2.27 0.00 0.00 64.05 61.65 1p7m n THR 130 Cb 0.43 0.78 -0.08 0.00 -2.10 0.00 0.00 70.33 69.37 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 -3.07 0.16 0.20 4.28 -4.23 -1.26 -4.89 115.64 106.83 1p7m s THR 131 Ca 0.06 -1.33 -0.11 0.00 -1.18 0.00 0.00 61.69 59.13 1p7m s THR 131 Cb 0.16 -1.39 0.14 0.00 1.34 0.00 0.00 72.50 72.75 1p7m s THR 131 CO 0.86 -0.73 1.86 -0.07 -0.54 0.00 0.00 174.62 176.00 1p7m h LEU 132 N 2.84 0.84 -1.33 4.79 3.38 -1.93 -0.20 115.31 123.70 1p7m h LEU 132 Ca -0.34 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 1p7m h LEU 132 Cb 1.19 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1p7m h LEU 132 CO 0.58 0.63 -0.20 -1.28 0.09 0.00 0.00 178.44 178.26 1p7m h SER 133 N 0.98 0.19 -0.01 -0.43 0.87 -2.00 -0.37 113.55 112.79 1p7m h SER 133 Ca 0.26 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1p7m h SER 133 Cb -0.09 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1p7m h SER 133 CO -0.05 0.41 0.00 1.21 -0.53 0.00 0.00 176.83 177.86 1p7m n GLU 134 N -4.22 1.06 -3.55 2.24 2.13 -0.21 -4.78 120.64 113.30 1p7m n GLU 134 Ca -0.01 -0.09 -0.36 0.00 0.66 0.00 0.00 57.16 57.37 1p7m n GLU 134 Cb 0.31 -1.43 -0.06 0.00 0.27 0.00 0.00 31.44 30.54 1p7m n GLU 134 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1p7m s ILE 135 N -1.99 5.07 0.16 6.31 2.07 -0.15 -4.67 121.20 128.00 1p7m s ILE 135 Ca 0.41 0.57 -0.30 0.00 -1.41 0.00 0.00 60.65 59.91 1p7m s ILE 135 Cb 0.19 -3.66 -0.07 0.00 0.13 0.00 0.00 42.46 39.05 1p7m s ILE 135 CO 0.32 0.36 0.98 -2.16 -1.91 0.00 0.00 174.94 172.53 1p7m s PRO 136 N -1.69 4.73 0.00 3.50 0.04 -1.26 -4.94 135.00 135.37 1p7m s PRO 136 Ca 0.31 1.51 0.15 0.00 0.04 0.00 0.00 61.00 63.01 1p7m s PRO 136 Cb -0.15 -3.33 0.21 0.00 0.04 0.00 0.00 34.50 31.28 1p7m s PRO 136 CO 0.17 0.28 1.10 0.25 0.04 0.00 0.00 177.00 178.84 1p7m n THR 137 N 2.30 0.30 -3.37 1.26 -2.24 -1.26 -4.78 114.28 106.49 1p7m n THR 137 Ca 0.01 -0.65 -0.18 0.00 -2.27 0.00 0.00 64.05 60.96 1p7m n THR 137 Cb 0.48 1.08 -0.08 0.00 -2.10 0.00 0.00 70.33 69.70 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 -1.20 1.35 0.10 3.42 0.15 -1.26 -4.47 113.70 111.80 1p7m s SER 138 Ca 0.22 -1.61 0.01 0.00 0.70 0.00 0.00 55.95 55.27 1p7m s SER 138 Cb 0.14 0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 64.88 1p7m s SER 138 CO 0.20 -0.27 0.23 0.42 1.20 0.00 0.00 173.24 175.03 1p7m s THR 139 N 1.43 5.31 0.38 6.45 -4.23 -1.26 -4.88 115.64 118.84 1p7m s THR 139 Ca 0.17 -0.54 0.13 0.00 -1.18 0.00 0.00 61.69 60.27 1p7m s THR 139 Cb -0.16 -3.65 0.35 0.00 1.34 0.00 0.00 72.50 70.38 1p7m s THR 139 CO -0.04 0.04 1.84 1.55 -0.54 0.00 0.00 174.62 177.48 1p7m h PRO 140 N 2.70 0.55 -0.13 3.99 0.13 -2.00 0.81 132.00 138.05 1p7m h PRO 140 Ca -0.46 -0.03 -0.23 0.00 -0.87 0.00 0.00 66.00 64.40 1p7m h PRO 140 Cb 1.17 -0.12 0.01 0.00 0.13 0.00 0.00 31.00 32.19 1p7m h PRO 140 CO 0.72 0.36 -0.82 0.00 -0.23 0.00 0.00 178.00 178.03 1p7m h ALA 141 N 1.61 0.30 -0.20 -0.56 0.00 -1.94 -2.03 119.26 116.44 1p7m h ALA 141 Ca 0.49 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1p7m h ALA 141 Cb 0.99 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1p7m h ALA 141 CO -0.23 0.69 -0.01 0.77 0.00 0.00 0.00 179.25 180.48 1p7m h SER 142 N 0.51 0.35 -0.90 0.00 0.02 -1.10 0.57 113.55 113.00 1p7m h SER 142 Ca -0.06 -0.32 0.02 0.00 -0.84 0.00 0.00 61.79 60.58 1p7m h SER 142 Cb 1.45 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.85 1p7m h SER 142 CO 0.17 0.58 0.60 0.44 -1.14 0.00 0.00 176.83 177.48 1p7m h ASP 143 N 0.10 1.01 -0.14 3.07 3.32 0.47 0.22 116.42 124.47 1p7m h ASP 143 Ca 0.05 -0.02 -0.22 0.00 0.02 0.00 0.00 57.03 56.86 1p7m h ASP 143 Cb 0.41 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.72 1p7m h ASP 143 CO 0.01 0.72 -0.76 0.00 -1.72 0.00 0.00 179.24 177.49 1p7m h ALA 144 N 1.45 0.29 -0.39 3.45 0.00 -1.11 -1.32 119.26 121.62 1p7m h ALA 144 Ca 0.34 -0.60 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1p7m h ALA 144 Cb -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1p7m h ALA 144 CO -0.08 0.65 0.24 1.25 0.00 0.00 0.00 179.25 181.31 1p7m h LEU 145 N 0.50 0.40 -0.32 0.00 7.12 0.10 0.55 115.31 123.66 1p7m h LEU 145 Ca -0.05 -0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.94 1p7m h LEU 145 Cb 1.40 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 41.42 1p7m h LEU 145 CO 0.16 0.29 0.13 0.77 -0.13 0.00 0.00 178.44 179.66 1p7m h SER 146 N 0.49 0.43 -0.82 1.25 4.64 -0.57 -1.39 113.55 117.58 1p7m h SER 146 Ca 0.15 -0.16 0.03 0.00 -0.47 0.00 0.00 61.79 61.34 1p7m h SER 146 Cb -0.02 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 61.91 1p7m h SER 146 CO -0.05 0.47 0.54 0.11 -0.87 0.00 0.00 176.83 177.02 1p7m h LYS 147 N 0.36 1.01 -0.06 4.77 1.57 -0.62 -0.96 116.57 122.64 1p7m h LYS 147 Ca 0.11 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1p7m h LYS 147 Cb 0.17 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1p7m h LYS 147 CO -0.01 0.67 0.00 0.00 -0.57 0.00 0.00 179.45 179.54 1p7m h ALA 148 N 1.51 0.08 -0.61 3.86 0.00 0.64 -2.61 119.26 122.12 1p7m h ALA 148 Ca 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1p7m h ALA 148 Cb -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1p7m h ALA 148 CO -0.09 -0.25 0.36 -0.07 0.00 0.00 0.00 179.25 179.20 1p7m h LEU 149 N -0.19 0.74 -0.98 0.00 3.38 -0.87 -1.57 115.31 115.82 1p7m h LEU 149 Ca 0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1p7m h LEU 149 Cb 0.33 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1p7m h LEU 149 CO 0.00 0.58 0.60 0.50 0.09 0.00 0.00 178.44 180.21 1p7m h LYS 150 N 0.85 1.30 -0.23 1.13 3.64 -1.00 -1.23 116.57 121.02 1p7m h LYS 150 Ca 0.22 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1p7m h LYS 150 Cb -0.02 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.51 1p7m h LYS 150 CO -0.04 0.89 -0.17 0.87 -2.27 0.00 0.00 179.45 178.74 1p7m h LYS 151 N 1.33 0.40 0.00 1.90 1.57 -0.92 -1.56 116.57 119.28 1p7m h LYS 151 Ca 0.35 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1p7m h LYS 151 Cb -0.09 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1p7m h LYS 151 CO -0.07 0.56 0.00 0.54 -0.57 0.00 0.00 179.45 179.91 1p7m n ARG 152 N -4.20 0.57 -1.20 3.15 5.12 -0.62 -4.75 116.66 114.73 1p7m n ARG 152 Ca -0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1p7m n ARG 152 Cb 0.33 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 30.28 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 0.12 0.69 3.55 -0.13 0.00 -0.59 -4.43 105.19 104.39 1p7m n GLY 153 Ca 0.09 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.00 3.22 0.66 1.61 2.19 -0.56 -4.54 117.98 118.55 1p7m s PHE 154 Ca 0.00 -0.06 -0.00 0.00 0.33 0.00 0.00 56.93 57.20 1p7m s PHE 154 Cb 0.00 -2.54 0.09 0.00 -1.31 0.00 0.00 43.02 39.26 1p7m s PHE 154 CO 0.00 -0.35 0.91 0.15 1.83 0.00 0.00 175.22 177.76 1p7m s LYS 155 N 1.86 2.03 -1.08 10.12 1.02 -1.26 -3.97 119.74 128.45 1p7m s LYS 155 Ca 0.09 -0.95 -0.07 0.00 0.02 0.00 0.00 55.97 55.06 1p7m s LYS 155 Cb -0.17 -2.38 -0.05 0.00 -0.52 0.00 0.00 37.83 34.71 1p7m s LYS 155 CO 0.11 -1.16 0.91 1.19 -0.92 0.00 0.00 175.35 175.47 1p7m n PHE 156 N -2.66 -2.37 -2.33 3.18 3.01 -1.26 -4.94 117.46 110.09 1p7m n PHE 156 Ca 0.12 0.82 -0.17 0.00 1.01 0.00 0.00 57.45 59.24 1p7m n PHE 156 Cb 0.60 -4.16 0.03 0.00 -0.01 0.00 0.00 39.48 35.94 1p7m n PHE 156 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1p7m n VAL 157 N -3.45 2.07 -1.29 -4.37 0.31 -1.26 -4.27 118.33 106.08 1p7m n VAL 157 Ca -0.10 -3.86 -0.39 0.00 -0.01 0.00 0.00 64.34 59.98 1p7m n VAL 157 Cb 0.62 -0.36 0.02 0.00 -0.91 0.00 0.00 33.84 33.21 1p7m n VAL 157 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p7m n GLY 158 N -0.62 -2.80 0.41 2.92 0.00 -1.26 -4.36 105.19 99.48 1p7m n GLY 158 Ca 0.31 -0.21 0.23 0.00 0.00 0.00 0.00 46.02 46.36 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 0.01 0.62 -0.06 2.61 2.02 -1.97 0.54 112.91 116.69 1p7m h THR 159 Ca -0.42 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 66.56 1p7m h THR 159 Cb 1.43 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1p7m h THR 159 CO 0.42 0.00 -0.80 0.74 0.37 0.00 0.00 175.52 176.26 1p7m h THR 160 N 0.00 1.38 -0.41 3.16 2.02 -1.84 -2.81 112.91 114.41 1p7m h THR 160 Ca 0.31 -2.23 -0.09 0.00 0.77 0.00 0.00 66.41 65.17 1p7m h THR 160 Cb 1.27 2.20 -0.02 0.00 -1.74 0.00 0.00 68.15 69.87 1p7m h THR 160 CO -0.00 0.67 -0.11 0.40 0.37 0.00 0.00 175.52 176.85 1p7m h ILE 161 N 0.28 1.25 -0.34 3.11 2.04 -0.22 -1.42 117.51 122.21 1p7m h ILE 161 Ca -0.05 -1.15 -0.15 0.00 1.00 0.00 0.00 64.86 64.52 1p7m h ILE 161 Cb 1.40 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1p7m h ILE 161 CO 0.14 0.39 -0.37 0.00 0.00 0.00 0.00 178.15 178.30 1p7m h TYR 163 N 0.66 0.38 -0.23 0.00 3.20 -1.24 -2.25 116.97 117.49 1p7m h TYR 163 Ca 0.06 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 1p7m h TYR 163 Cb 0.93 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 1p7m h TYR 163 CO 0.05 0.56 -0.14 0.66 -1.64 0.00 0.00 178.16 177.66 1p7m h SER 164 N 0.08 0.36 -0.42 -2.11 4.64 -1.23 -2.62 113.55 112.26 1p7m h SER 164 Ca 0.05 -0.09 0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1p7m h SER 164 Cb 0.42 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 1p7m h SER 164 CO 0.01 0.53 0.26 0.15 -0.87 0.00 0.00 176.83 176.91 1p7m h PHE 165 N 0.35 0.48 -0.64 4.77 3.57 -0.75 -2.29 116.94 122.44 1p7m h PHE 165 Ca 0.07 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 1p7m h PHE 165 Cb 0.45 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1p7m h PHE 165 CO 0.01 0.29 0.21 0.52 -2.23 0.00 0.00 178.31 177.11 1p7m h MET 166 N 0.52 0.96 -0.72 1.11 2.86 -1.04 -0.13 114.93 118.49 1p7m h MET 166 Ca 0.16 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1p7m h MET 166 Cb -0.01 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.46 1p7m h MET 166 CO -0.07 0.81 0.46 1.96 1.06 0.00 0.00 176.91 181.13 1p7m h GLN 167 N 0.93 0.96 -0.05 1.72 1.08 -1.20 -2.07 115.11 116.48 1p7m h GLN 167 Ca 0.21 -0.07 -0.24 0.00 -1.45 0.00 0.00 58.65 57.10 1p7m h GLN 167 Cb 0.24 -0.21 0.01 0.00 -0.05 0.00 0.00 27.48 27.47 1p7m h GLN 167 CO -0.01 0.66 -0.91 0.00 -0.95 0.00 0.00 178.83 177.62 1p7m h ALA 168 N 1.25 0.28 -0.26 3.87 0.00 -1.15 -2.99 119.26 120.26 1p7m h ALA 168 Ca 0.26 -0.66 0.05 0.00 0.00 0.00 0.00 54.91 54.56 1p7m h ALA 168 Cb -0.07 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1p7m h ALA 168 CO -0.05 0.72 0.18 0.00 0.00 0.00 0.00 179.25 180.10 1p7m n GLY 170 N -1.55 0.62 0.25 0.00 0.00 -0.81 -3.81 105.19 99.89 1p7m n GLY 170 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 -9.20 0.99 3.38 -1.72 -3.42 115.31 105.34 1p7m h LEU 171 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 1p7m h LEU 171 Cb 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.58 1p7m h LEU 171 CO 0.00 0.10 -0.74 -0.69 0.09 0.00 0.00 178.44 177.20 1p7m s VAL 172 N -4.70 3.34 0.27 1.22 1.01 -1.24 0.62 120.40 120.94 1p7m s VAL 172 Ca -0.04 -1.14 0.07 0.00 0.00 0.00 0.00 61.98 60.87 1p7m s VAL 172 Cb 0.16 -2.52 -0.06 0.00 0.00 0.00 0.00 36.38 33.96 1p7m s VAL 172 CO 0.66 0.21 -0.07 0.20 0.00 0.00 0.00 175.10 176.10 1p7m s ASN 173 N -1.90 2.78 -0.12 3.32 0.01 0.18 -4.62 114.94 114.57 1p7m s ASN 173 Ca 0.19 -1.18 -0.00 0.00 -0.71 0.00 0.00 52.86 51.17 1p7m s ASN 173 Cb -0.11 -0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.38 1p7m s ASN 173 CO 0.11 -0.32 0.12 0.47 -1.51 0.00 0.00 177.10 175.97 1p7m n ASP 174 N -0.57 -3.00 -0.35 -1.22 8.00 -1.26 -1.60 116.55 116.56 1p7m n ASP 174 Ca -0.06 -0.01 0.23 0.00 0.71 0.00 0.00 54.79 55.67 1p7m n ASP 174 Cb 0.63 -1.74 0.48 0.00 -0.02 0.00 0.00 41.12 40.47 1p7m n ASP 174 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 1p7m h HIS 175 N 0.09 0.81 0.00 1.24 3.86 -1.92 -3.33 115.15 115.90 1p7m h HIS 175 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1p7m h HIS 175 Cb 0.97 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.21 1p7m h HIS 175 CO 0.03 -0.01 0.00 1.55 0.86 0.00 0.00 177.93 180.36 1p7m n VAL 176 N -4.80 0.00 0.00 2.45 3.14 -1.26 -4.86 118.33 113.00 1p7m n VAL 176 Ca 0.28 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.66 1p7m n VAL 176 Cb 0.92 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.70 1p7m n VAL 176 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1p7m n VAL 177 N 0.00 0.00 0.61 1.55 0.31 -1.25 -4.40 118.33 115.15 1p7m n VAL 177 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1p7m n VAL 177 Cb 0.35 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.31 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 0.00 2.41 3.62 2.92 0.00 -1.26 -4.82 105.19 108.05 1p7m n GLY 178 Ca 0.00 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.31 2.78 0.00 0.00 6.14 0.73 -4.99 117.35 119.70 1p7m s TYR 182 Ca 0.03 -3.00 0.00 0.00 0.64 0.00 0.00 57.07 54.74 1p7m s TYR 182 Cb 0.02 -2.18 0.00 0.00 0.42 0.00 0.00 41.96 40.22 1p7m s TYR 182 CO 0.04 -0.65 0.06 -0.35 0.64 0.00 0.00 175.55 175.29 1p7m n PRO 183 N 2.36 0.00 -0.53 4.97 -0.05 -1.23 -4.54 135.00 135.98 1p7m n PRO 183 Ca 0.21 0.05 0.00 0.00 -0.05 0.00 0.00 63.50 63.71 1p7m n PRO 183 Cb 0.38 -0.61 0.00 0.00 -0.05 0.00 0.00 33.50 33.22 1p7m n PRO 183 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1p7m n GLY 184 N 2.11 0.00 0.01 0.55 0.00 -1.26 -4.63 105.19 101.97 1p7m n GLY 184 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1p7m n GLY 184 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1p7m n ASN 185 N 0.02 0.67 -4.91 1.61 0.23 -1.26 -4.93 115.26 106.69 1p7m n ASN 185 Ca 0.00 -0.53 -0.28 0.00 -0.53 0.00 0.00 54.58 53.24 1p7m n ASN 185 Cb 0.16 1.06 -0.03 0.00 -2.08 0.00 0.00 39.78 38.89 1p7m n ASN 185 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1p7m s LYS 186 N -3.15 3.59 0.00 -3.83 1.02 -1.26 -5.33 119.74 110.78 1p7m s LYS 186 Ca 0.04 -0.13 0.13 0.00 0.02 0.00 0.00 55.97 56.04 1p7m s LYS 186 Cb 0.15 -2.71 0.79 0.00 -0.52 0.00 0.00 37.83 35.54 1p7m s LYS 186 CO 0.84 0.28 1.21 -0.35 -0.92 0.00 0.00 175.35 176.42