#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xx7 h ILE 2 N 0.00 1.03 -0.61 2.46 5.03 -2.05 -2.97 117.51 120.39 1xx7 h ILE 2 Ca 0.00 -0.09 -0.09 0.00 -0.12 0.00 0.00 64.86 64.56 1xx7 h ILE 2 Cb 0.00 0.73 -0.02 0.00 -3.03 0.00 0.00 36.82 34.50 1xx7 h ILE 2 CO 0.00 0.05 0.02 0.44 -0.68 0.00 0.00 178.15 177.98 1xx7 h ASP 3 N 0.27 1.04 -0.66 1.72 3.32 -2.05 0.83 116.42 120.89 1xx7 h ASP 3 Ca 0.10 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 56.80 1xx7 h ASP 3 Cb 0.05 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 1xx7 h ASP 3 CO -0.02 1.08 0.23 -0.07 -1.72 0.00 0.00 179.24 178.74 1xx7 h LEU 4 N 0.96 0.96 -0.28 1.55 3.38 -1.97 0.10 115.31 120.01 1xx7 h LEU 4 Ca 0.18 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1xx7 h LEU 4 Cb 0.53 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1xx7 h LEU 4 CO 0.03 0.88 -0.22 0.40 0.09 0.00 0.00 178.44 179.62 1xx7 h ILE 5 N 1.00 1.30 -0.52 1.22 2.04 -1.26 -1.13 117.51 120.17 1xx7 h ILE 5 Ca 0.23 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 1xx7 h ILE 5 Cb 0.25 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1xx7 h ILE 5 CO -0.01 0.43 0.26 -0.07 0.00 0.00 0.00 178.15 178.76 1xx7 h LEU 6 N 0.38 0.64 -0.21 1.44 3.38 -0.75 -1.31 115.31 118.88 1xx7 h LEU 6 Ca 0.05 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1xx7 h LEU 6 Cb 0.76 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1xx7 h LEU 6 CO 0.06 0.54 0.00 0.25 0.09 0.00 0.00 178.44 179.38 1xx7 h LEU 7 N 0.72 0.36 -1.54 1.67 5.85 -0.67 -2.77 115.31 118.93 1xx7 h LEU 7 Ca 0.18 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1xx7 h LEU 7 Cb 0.06 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1xx7 h LEU 7 CO -0.03 0.58 0.10 0.00 -0.34 0.00 0.00 178.44 178.75 1xx7 h ALA 8 N 0.80 1.64 -0.02 1.25 0.00 -0.97 -2.36 119.26 119.60 1xx7 h ALA 8 Ca 0.06 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xx7 h ALA 8 Cb 0.39 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1xx7 h ALA 8 CO 0.01 0.28 0.04 0.78 0.00 0.00 0.00 179.25 180.36 1xx7 h GLY 9 N 0.57 0.00 2.00 0.00 0.00 -0.95 -1.43 103.07 103.26 1xx7 h GLY 9 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 1xx7 h GLY 9 CO -0.01 0.00 -0.20 0.50 0.00 0.00 0.00 176.54 176.83 1xx7 h LYS 10 N 0.00 0.00 0.00 4.80 1.57 -1.31 -1.48 116.57 120.15 1xx7 h LYS 10 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1xx7 h LYS 10 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1xx7 h LYS 10 CO -0.00 0.20 0.00 -0.07 -0.57 0.00 0.00 179.45 179.01 1xx7 h LEU 11 N 0.00 0.00 -1.07 2.94 3.38 -1.40 -0.54 115.31 118.61 1xx7 h LEU 11 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1xx7 h LEU 11 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1xx7 h LEU 11 CO 0.03 0.00 -0.33 0.11 0.09 0.00 0.00 178.44 178.33 1xx7 h LYS 12 N 0.00 0.00 0.00 1.13 1.57 -1.41 0.11 116.57 117.96 1xx7 h LYS 12 Ca 0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.40 1xx7 h LYS 12 Cb 0.27 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.51 1xx7 h LYS 12 CO 0.00 0.33 -2.42 0.54 -0.57 0.00 0.00 179.45 177.33 1xx7 n ARG 13 N -3.57 0.68 -1.97 3.15 1.74 -0.85 -4.77 116.66 111.07 1xx7 n ARG 13 Ca -0.00 0.09 -0.42 0.00 -0.77 0.00 0.00 57.85 56.74 1xx7 n ARG 13 Cb 0.47 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.37 1xx7 n ARG 13 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xx7 s ILE 14 N -2.50 3.51 0.56 0.55 1.01 -0.27 -4.93 121.20 119.13 1xx7 s ILE 14 Ca -0.25 0.60 -0.15 0.00 0.00 0.00 0.00 60.65 60.86 1xx7 s ILE 14 Cb 0.08 -3.45 -0.06 0.00 0.01 0.00 0.00 42.46 39.04 1xx7 s ILE 14 CO 0.68 -0.12 1.01 -2.16 0.00 0.00 0.00 174.94 174.35 1xx7 s PRO 15 N 4.43 3.77 -0.46 2.79 0.04 -1.26 -1.07 135.00 143.24 1xx7 s PRO 15 Ca 0.76 0.91 -0.29 0.00 0.04 0.00 0.00 61.00 62.43 1xx7 s PRO 15 Cb -0.32 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.14 1xx7 s PRO 15 CO 0.31 -0.43 1.14 1.03 0.04 0.00 0.00 177.00 179.10 1xx7 s ARG 16 N -4.43 3.76 0.21 4.56 1.81 -0.41 -4.53 118.95 119.91 1xx7 s ARG 16 Ca 0.58 0.63 0.14 0.00 -1.72 0.00 0.00 55.73 55.36 1xx7 s ARG 16 Cb -0.11 -3.89 -0.02 0.00 -0.45 0.00 0.00 34.95 30.47 1xx7 s ARG 16 CO 0.39 -1.34 1.29 0.52 -0.68 0.00 0.00 175.30 175.48 1xx7 h MET 17 N 9.15 0.00 -0.70 3.54 2.86 -1.90 -3.06 114.93 124.82 1xx7 h MET 17 Ca -0.23 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.53 1xx7 h MET 17 Cb 1.06 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.64 1xx7 h MET 17 CO 1.12 0.55 0.29 0.78 1.06 0.00 0.00 176.91 180.70 1xx7 h GLY 18 N 3.45 1.04 0.69 8.32 0.00 -1.91 -1.45 103.07 113.20 1xx7 h GLY 18 Ca -0.04 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 1xx7 h GLY 18 CO 0.07 -0.04 -0.23 1.49 0.00 0.00 0.00 176.54 177.83 1xx7 h TRP 19 N 0.46 0.41 -0.37 5.60 -0.00 -1.93 -2.52 115.95 117.60 1xx7 h TRP 19 Ca 0.37 -0.16 0.06 0.00 -0.00 0.00 0.00 58.89 59.16 1xx7 h TRP 19 Cb 0.50 -0.07 -0.05 0.00 -0.00 0.00 0.00 29.16 29.53 1xx7 h TRP 19 CO -0.16 0.84 0.04 1.25 -0.00 0.00 0.00 178.44 180.42 1xx7 h LEU 20 N -0.13 -0.06 -1.07 -4.49 6.46 -1.56 -1.22 115.31 113.25 1xx7 h LEU 20 Ca -0.00 0.07 -0.07 0.00 -0.12 0.00 0.00 57.88 57.76 1xx7 h LEU 20 Cb 0.83 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.86 1xx7 h LEU 20 CO 0.05 0.01 -0.08 0.40 -0.62 0.00 0.00 178.44 178.20 1xx7 h ILE 21 N 0.16 1.23 0.00 4.05 2.04 -1.28 -0.84 117.51 122.87 1xx7 h ILE 21 Ca 0.18 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1xx7 h ILE 21 Cb 0.23 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1xx7 h ILE 21 CO -0.27 0.33 0.00 0.29 0.00 0.00 0.00 178.15 178.50 1xx7 n LYS 22 N -4.22 0.04 -0.65 2.37 4.76 -0.81 -4.89 118.16 114.76 1xx7 n LYS 22 Ca 0.01 0.29 0.00 0.00 -2.87 0.00 0.00 58.31 55.74 1xx7 n LYS 22 Cb 0.31 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 1xx7 n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xx7 n GLY 23 N -0.46 0.62 3.68 0.72 0.00 -0.32 -4.98 105.19 104.46 1xx7 n GLY 23 Ca 0.03 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1xx7 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xx7 s VAL 24 N -2.00 3.25 0.13 1.61 1.01 -0.52 -4.93 120.40 118.95 1xx7 s VAL 24 Ca 0.00 0.64 -0.12 0.00 0.00 0.00 0.00 61.98 62.50 1xx7 s VAL 24 Cb 0.00 -3.41 -0.06 0.00 0.00 0.00 0.00 36.38 32.91 1xx7 s VAL 24 CO 0.00 -0.01 1.44 1.55 0.00 0.00 0.00 175.10 178.08 1xx7 h PRO 25 N 8.42 0.89 -2.15 2.72 0.13 -1.93 -3.36 132.00 136.72 1xx7 h PRO 25 Ca -0.41 -0.50 -0.59 0.00 -0.87 0.00 0.00 66.00 63.63 1xx7 h PRO 25 Cb 1.19 0.03 -0.41 0.00 0.13 0.00 0.00 31.00 31.94 1xx7 h PRO 25 CO 0.93 1.15 -0.71 0.09 -0.23 0.00 0.00 178.00 179.22 1xx7 n ASN 26 N -4.07 2.94 -4.77 1.44 3.02 -1.26 -5.09 115.26 107.46 1xx7 n ASN 26 Ca -0.03 -3.28 -0.40 0.00 -0.03 0.00 0.00 54.58 50.85 1xx7 n ASN 26 Cb 0.56 -0.66 0.01 0.00 -0.61 0.00 0.00 39.78 39.08 1xx7 n ASN 26 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1xx7 s PRO 27 N -2.20 3.80 0.73 3.52 0.04 -1.26 -4.94 135.00 134.69 1xx7 s PRO 27 Ca 0.39 2.28 -0.16 0.00 0.04 0.00 0.00 61.00 63.55 1xx7 s PRO 27 Cb 0.16 -2.69 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 1xx7 s PRO 27 CO -0.04 -0.67 0.62 -0.85 0.04 0.00 0.00 177.00 176.10 1xx7 n GLU 28 N -0.07 0.31 -1.95 4.56 0.28 -1.26 -4.76 120.64 117.75 1xx7 n GLU 28 Ca 0.05 0.15 -0.29 0.00 -0.16 0.00 0.00 57.16 56.91 1xx7 n GLU 28 Cb 0.43 -1.92 0.08 0.00 1.43 0.00 0.00 31.44 31.46 1xx7 n GLU 28 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1xx7 s SER 29 N -1.54 4.71 0.22 -1.84 1.04 -1.26 -1.29 113.70 113.75 1xx7 s SER 29 Ca 0.67 0.79 -0.04 0.00 0.48 0.00 0.00 55.95 57.85 1xx7 s SER 29 Cb -0.34 -1.36 0.21 0.00 0.10 0.00 0.00 66.02 64.63 1xx7 s SER 29 CO 0.57 -1.76 1.65 0.58 0.98 0.00 0.00 173.24 175.26 1xx7 h VAL 30 N -0.91 1.27 -0.78 5.02 2.07 -0.93 -2.21 116.25 119.77 1xx7 h VAL 30 Ca -0.46 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 65.80 1xx7 h VAL 30 Cb 1.31 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 1xx7 h VAL 30 CO 0.65 0.43 0.51 0.00 0.02 0.00 0.00 177.57 179.18 1xx7 h ALA 31 N 1.11 1.01 0.00 1.67 0.00 -1.05 0.67 119.26 122.67 1xx7 h ALA 31 Ca 0.10 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1xx7 h ALA 31 Cb 0.69 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1xx7 h ALA 31 CO 0.05 0.35 -0.16 -0.44 0.00 0.00 0.00 179.25 179.05 1xx7 h ASP 32 N 1.01 -0.47 0.34 0.00 3.32 -1.75 0.17 116.42 119.05 1xx7 h ASP 32 Ca 0.30 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 1xx7 h ASP 32 Cb -0.05 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1xx7 h ASP 32 CO -0.09 -0.22 -0.25 -0.74 -1.72 0.00 0.00 179.24 176.22 1xx7 h HIS 33 N -0.27 -0.65 -0.66 4.55 -0.00 -1.26 -2.89 115.15 113.97 1xx7 h HIS 33 Ca 0.05 -0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.46 1xx7 h HIS 33 Cb 0.33 0.24 -0.04 0.00 -0.00 0.00 0.00 27.41 27.95 1xx7 h HIS 33 CO -0.21 -0.38 0.44 0.77 -0.00 0.00 0.00 177.93 178.55 1xx7 h SER 34 N -0.59 0.64 0.16 3.26 0.02 -0.77 -0.15 113.55 116.12 1xx7 h SER 34 Ca -0.03 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1xx7 h SER 34 Cb 0.50 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 1xx7 h SER 34 CO 0.01 0.43 -0.26 0.22 -1.14 0.00 0.00 176.83 176.09 1xx7 h TYR 35 N 0.74 -0.70 0.00 3.45 3.20 -0.89 -1.66 116.97 121.12 1xx7 h TYR 35 Ca 0.27 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.09 1xx7 h TYR 35 Cb 0.15 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1xx7 h TYR 35 CO -0.00 -0.37 -0.31 -0.09 -1.64 0.00 0.00 178.16 175.75 1xx7 h ARG 36 N -0.49 0.00 -0.43 1.82 2.43 -1.17 -1.31 114.38 115.24 1xx7 h ARG 36 Ca 0.02 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1xx7 h ARG 36 Cb 0.50 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1xx7 h ARG 36 CO -0.13 0.31 0.22 0.28 -1.51 0.00 0.00 179.97 179.14 1xx7 h VAL 37 N 0.00 1.17 -0.62 0.20 2.07 -0.81 0.02 116.25 118.29 1xx7 h VAL 37 Ca -0.00 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1xx7 h VAL 37 Cb 0.86 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1xx7 h VAL 37 CO 0.04 0.18 0.39 0.00 0.02 0.00 0.00 177.57 178.21 1xx7 h ALA 38 N 1.06 0.78 -0.26 1.67 0.00 -0.76 0.81 119.26 122.57 1xx7 h ALA 38 Ca 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1xx7 h ALA 38 Cb 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1xx7 h ALA 38 CO -0.02 0.23 0.08 0.35 0.00 0.00 0.00 179.25 179.89 1xx7 h PHE 39 N 0.83 0.42 -0.85 0.00 3.57 -1.05 -1.60 116.94 118.26 1xx7 h PHE 39 Ca 0.22 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1xx7 h PHE 39 Cb -0.07 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.51 1xx7 h PHE 39 CO -0.03 0.47 0.48 0.82 -2.23 0.00 0.00 178.31 177.83 1xx7 h ILE 40 N 0.25 1.24 -0.68 1.41 2.04 -0.72 -1.87 117.51 119.18 1xx7 h ILE 40 Ca 0.08 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 1xx7 h ILE 40 Cb 0.25 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 1xx7 h ILE 40 CO -0.00 0.27 0.32 0.74 0.00 0.00 0.00 178.15 179.47 1xx7 h THR 41 N 1.19 1.23 -0.25 -0.27 2.02 -0.48 0.25 112.91 116.60 1xx7 h THR 41 Ca 0.30 -0.66 0.01 0.00 0.77 0.00 0.00 66.41 66.83 1xx7 h THR 41 Cb 0.00 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1xx7 h THR 41 CO -0.05 0.27 0.14 0.25 0.37 0.00 0.00 175.52 176.50 1xx7 h LEU 42 N 0.95 0.23 -0.52 2.58 5.85 -0.79 -0.70 115.31 122.90 1xx7 h LEU 42 Ca 0.23 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 1xx7 h LEU 42 Cb 0.13 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1xx7 h LEU 42 CO -0.03 0.17 0.07 -0.07 -0.34 0.00 0.00 178.44 178.24 1xx7 h LEU 43 N 0.29 0.85 -0.33 2.25 3.38 -0.97 -2.56 115.31 118.22 1xx7 h LEU 43 Ca 0.10 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 1xx7 h LEU 43 Cb -0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1xx7 h LEU 43 CO -0.05 0.90 -0.32 -0.07 0.09 0.00 0.00 178.44 179.00 1xx7 h LEU 44 N 0.76 0.85 -0.65 1.67 3.38 -0.76 -2.12 115.31 118.44 1xx7 h LEU 44 Ca 0.16 -0.47 0.13 0.00 0.09 0.00 0.00 57.88 57.79 1xx7 h LEU 44 Cb 0.43 -0.24 -0.10 0.00 0.09 0.00 0.00 40.66 40.84 1xx7 h LEU 44 CO 0.01 1.14 0.11 0.00 0.09 0.00 0.00 178.44 179.80 1xx7 h ALA 45 N 0.74 0.76 -0.54 1.53 0.00 -1.12 0.44 119.26 121.07 1xx7 h ALA 45 Ca 0.05 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1xx7 h ALA 45 Cb 0.90 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1xx7 h ALA 45 CO 0.08 -0.34 0.01 0.93 0.00 0.00 0.00 179.25 179.93 1xx7 h GLU 46 N 0.23 0.92 -0.61 0.00 3.07 -1.32 -0.63 114.58 116.24 1xx7 h GLU 46 Ca 0.35 -0.26 -0.07 0.00 -0.50 0.00 0.00 59.36 58.88 1xx7 h GLU 46 Cb 0.56 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.34 1xx7 h GLU 46 CO -0.47 0.90 0.12 1.49 -1.40 0.00 0.00 179.01 179.65 1xx7 h GLU 47 N 0.85 0.97 -0.49 2.33 4.57 -0.81 -1.79 114.58 120.21 1xx7 h GLU 47 Ca 0.16 -0.23 -0.07 0.00 -1.18 0.00 0.00 59.36 58.04 1xx7 h GLU 47 Cb 0.49 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 1xx7 h GLU 47 CO 0.02 0.88 0.01 -0.07 -1.18 0.00 0.00 179.01 178.68 1xx7 h LEU 48 N 0.92 0.83 -0.15 1.64 3.38 -0.48 -2.35 115.31 119.09 1xx7 h LEU 48 Ca 0.19 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.91 1xx7 h LEU 48 Cb 0.37 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1xx7 h LEU 48 CO 0.01 0.93 -0.16 0.50 0.09 0.00 0.00 178.44 179.80 1xx7 h LYS 49 N 0.71 -0.18 -0.88 1.13 3.64 -0.99 0.40 116.57 120.40 1xx7 h LYS 49 Ca 0.14 0.01 0.21 0.00 -1.27 0.00 0.00 60.65 59.74 1xx7 h LYS 49 Cb 0.49 0.04 -0.12 0.00 -0.41 0.00 0.00 32.23 32.23 1xx7 h LYS 49 CO 0.02 -0.12 0.37 0.87 -2.27 0.00 0.00 179.45 178.32 1xx7 h LYS 50 N -0.19 0.39 0.00 1.90 6.56 -1.19 0.16 116.57 124.20 1xx7 h LYS 50 Ca 0.10 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 1xx7 h LYS 50 Cb 0.34 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 1xx7 h LYS 50 CO -0.27 0.26 0.00 1.63 -2.06 0.00 0.00 179.45 179.01 1xx7 n LYS 51 N -5.04 0.94 -1.09 3.15 5.02 -0.77 -4.89 118.16 115.48 1xx7 n LYS 51 Ca 0.21 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.47 1xx7 n LYS 51 Cb 0.62 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 34.24 1xx7 n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xx7 n GLY 52 N 0.77 0.61 3.64 0.72 0.00 0.56 -5.03 105.19 106.48 1xx7 n GLY 52 Ca 0.17 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 1xx7 n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xx7 s VAL 53 N -2.04 5.06 -0.34 1.61 1.01 0.06 -4.98 120.40 120.77 1xx7 s VAL 53 Ca 0.00 0.99 -0.29 0.00 0.00 0.00 0.00 61.98 62.69 1xx7 s VAL 53 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1xx7 s VAL 53 CO 0.00 0.12 1.37 -1.83 0.00 0.00 0.00 175.10 174.75 1xx7 s GLU 54 N 2.01 3.77 -0.08 2.72 1.03 -1.26 -3.73 118.70 123.17 1xx7 s GLU 54 Ca 0.24 1.15 0.04 0.00 0.03 0.00 0.00 54.97 56.44 1xx7 s GLU 54 Cb -0.16 -3.95 -0.00 0.00 -0.80 0.00 0.00 34.13 29.23 1xx7 s GLU 54 CO 0.09 -1.31 -0.22 0.42 -1.33 0.00 0.00 175.26 172.92 1xx7 s ILE 55 N 4.84 1.86 -0.87 1.83 -1.09 -1.26 -5.02 121.20 121.51 1xx7 s ILE 55 Ca 0.59 -0.93 -0.25 0.00 -2.23 0.00 0.00 60.65 57.83 1xx7 s ILE 55 Cb -0.16 -1.61 0.04 0.00 -1.58 0.00 0.00 42.46 39.15 1xx7 s ILE 55 CO 0.27 0.52 1.39 -0.62 -1.23 0.00 0.00 174.94 175.27 1xx7 s ASP 56 N 0.20 6.26 0.14 3.58 -1.08 -1.26 -4.88 116.67 119.62 1xx7 s ASP 56 Ca -0.12 -0.88 -0.12 0.00 -0.52 0.00 0.00 52.55 50.91 1xx7 s ASP 56 Cb -0.16 -2.56 -0.02 0.00 -1.46 0.00 0.00 42.92 38.72 1xx7 s ASP 56 CO 0.06 -1.73 1.53 0.58 0.52 0.00 0.00 175.17 176.13 1xx7 h VAL 57 N 6.43 1.28 -0.85 1.11 2.07 -1.98 -1.29 116.25 123.02 1xx7 h VAL 57 Ca -0.05 -1.29 0.05 0.00 0.82 0.00 0.00 66.70 66.22 1xx7 h VAL 57 Cb 1.03 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.95 1xx7 h VAL 57 CO 1.34 0.44 0.53 -0.08 0.02 0.00 0.00 177.57 179.82 1xx7 h GLU 58 N 0.70 0.96 -0.19 1.57 4.81 -2.00 -1.22 114.58 119.21 1xx7 h GLU 58 Ca 0.10 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 1xx7 h GLU 58 Cb 0.71 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1xx7 h GLU 58 CO 0.05 0.64 -0.21 -0.22 -0.73 0.00 0.00 179.01 178.54 1xx7 h LYS 59 N 0.99 0.48 -0.72 1.92 3.64 -1.88 -2.18 116.57 118.82 1xx7 h LYS 59 Ca 0.36 -0.26 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1xx7 h LYS 59 Cb 0.12 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 1xx7 h LYS 59 CO -0.16 0.84 0.45 0.00 -2.27 0.00 0.00 179.45 178.31 1xx7 h ALA 60 N 0.63 0.94 -0.61 5.00 0.00 -0.99 -1.41 119.26 122.82 1xx7 h ALA 60 Ca 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1xx7 h ALA 60 Cb 0.76 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1xx7 h ALA 60 CO 0.05 0.24 0.24 -0.07 0.00 0.00 0.00 179.25 179.71 1xx7 h LEU 61 N 0.88 0.85 -0.62 0.00 3.38 -1.14 -0.76 115.31 117.90 1xx7 h LEU 61 Ca 0.29 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1xx7 h LEU 61 Cb 0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1xx7 h LEU 61 CO -0.11 0.79 0.21 0.11 0.09 0.00 0.00 178.44 179.54 1xx7 h LYS 62 N 0.86 0.96 -0.36 1.13 1.57 -1.13 -1.37 116.57 118.22 1xx7 h LYS 62 Ca 0.20 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1xx7 h LYS 62 Cb 0.21 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1xx7 h LYS 62 CO -0.02 0.84 0.17 0.82 -0.57 0.00 0.00 179.45 180.69 1xx7 h ILE 63 N 0.89 1.17 -0.49 1.86 2.04 -0.95 -2.01 117.51 120.01 1xx7 h ILE 63 Ca 0.20 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.61 1xx7 h ILE 63 Cb 0.27 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1xx7 h ILE 63 CO -0.01 0.18 0.25 0.00 0.00 0.00 0.00 178.15 178.57 1xx7 h ALA 64 N 1.02 0.63 -0.91 1.87 0.00 -0.90 0.51 119.26 121.48 1xx7 h ALA 64 Ca 0.12 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1xx7 h ALA 64 Cb 0.13 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1xx7 h ALA 64 CO -0.01 -0.11 0.58 0.82 0.00 0.00 0.00 179.25 180.53 1xx7 h ILE 65 N 0.48 1.12 0.00 0.00 2.04 -1.04 -3.23 117.51 116.87 1xx7 h ILE 65 Ca 0.22 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1xx7 h ILE 65 Cb 0.13 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1xx7 h ILE 65 CO -0.16 0.20 -0.87 2.30 0.00 0.00 0.00 178.15 179.62 1xx7 n ILE 66 N -4.54 0.04 0.24 -0.67 -6.64 -0.78 -4.60 119.36 102.42 1xx7 n ILE 66 Ca 0.12 -0.08 0.07 0.00 -1.77 0.00 0.00 62.75 61.10 1xx7 n ILE 66 Cb 0.12 0.53 0.56 0.00 -1.44 0.00 0.00 39.64 39.42 1xx7 n ILE 66 CO 0.00 0.00 0.00 1.12 -1.77 0.00 0.00 176.55 175.90 1xx7 h HIS 67 N 0.00 0.00 -0.28 4.28 2.07 -0.93 -1.52 115.15 118.77 1xx7 h HIS 67 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1xx7 h HIS 67 Cb 0.57 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.55 1xx7 h HIS 67 CO 0.00 0.13 0.00 -0.25 -3.07 0.00 0.00 177.93 174.74 1xx7 n ASP 68 N -4.30 2.72 0.15 3.10 8.00 -1.26 -4.68 116.55 120.28 1xx7 n ASP 68 Ca -0.03 -1.94 0.07 0.00 0.71 0.00 0.00 54.79 53.60 1xx7 n ASP 68 Cb 0.21 -0.19 0.55 0.00 -0.02 0.00 0.00 41.12 41.67 1xx7 n ASP 68 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1xx7 h LEU 69 N 1.81 0.19 -2.28 0.64 5.85 -1.53 -0.90 115.31 119.09 1xx7 h LEU 69 Ca 0.00 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.75 1xx7 h LEU 69 Cb 0.68 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1xx7 h LEU 69 CO 0.00 0.14 0.13 1.23 -0.34 0.00 0.00 178.44 179.60 1xx7 h GLY 70 N 0.23 0.00 2.00 3.75 0.00 -1.83 -0.91 103.07 106.31 1xx7 h GLY 70 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1xx7 h GLY 70 CO -0.01 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.71 1xx7 n GLU 71 N -3.87 0.17 0.29 4.80 1.02 -0.34 -1.33 120.64 121.38 1xx7 n GLU 71 Ca 0.00 0.50 0.18 0.00 -0.02 0.00 0.00 57.16 57.83 1xx7 n GLU 71 Cb 0.24 -1.90 0.83 0.00 -0.02 0.00 0.00 31.44 30.59 1xx7 n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xx7 h ALA 72 N 2.17 1.02 0.00 0.62 0.00 -1.31 0.32 119.26 122.08 1xx7 h ALA 72 Ca 0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 1xx7 h ALA 72 Cb 0.23 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1xx7 h ALA 72 CO 0.00 0.02 -1.93 -0.89 0.00 0.00 0.00 179.25 176.45 1xx7 n ILE 73 N -3.13 0.92 0.16 0.00 5.41 -0.73 -4.72 119.36 117.27 1xx7 n ILE 73 Ca -0.01 -0.29 0.06 0.00 1.00 0.00 0.00 62.75 63.52 1xx7 n ILE 73 Cb 0.24 -1.40 0.06 0.00 -0.71 0.00 0.00 39.64 37.83 1xx7 n ILE 73 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1xx7 h ILE 74 N -0.31 0.44 -1.88 1.39 1.08 -1.26 -3.51 117.51 113.46 1xx7 h ILE 74 Ca -0.39 -1.65 0.20 0.00 -0.39 0.00 0.00 64.86 62.63 1xx7 h ILE 74 Cb 1.46 2.15 -0.09 0.00 -3.07 0.00 0.00 36.82 37.28 1xx7 h ILE 74 CO -0.16 0.25 -0.55 0.35 -0.69 0.00 0.00 178.15 177.35 1xx7 n THR 75 N -3.10 -0.12 -2.73 -0.27 -2.24 0.10 -4.67 114.28 101.26 1xx7 n THR 75 Ca 0.01 0.33 -0.43 0.00 -2.27 0.00 0.00 64.05 61.69 1xx7 n THR 75 Cb 0.65 -0.60 -0.01 0.00 -2.10 0.00 0.00 70.33 68.28 1xx7 n THR 75 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xx7 s ASP 76 N -6.15 6.84 -0.06 3.42 2.15 -1.26 -4.65 116.67 116.96 1xx7 s ASP 76 Ca 0.00 -2.43 -0.32 0.00 0.43 0.00 0.00 52.55 50.24 1xx7 s ASP 76 Cb 0.00 -2.50 -0.10 0.00 -0.30 0.00 0.00 42.92 40.02 1xx7 s ASP 76 CO 0.00 -1.08 1.97 0.18 -0.17 0.00 0.00 175.17 176.07 1xx7 n LEU 77 N 7.44 3.72 -4.76 -1.34 4.77 -1.26 -4.25 117.00 121.32 1xx7 n LEU 77 Ca 0.40 0.84 -0.30 0.00 -0.03 0.00 0.00 56.01 56.92 1xx7 n LEU 77 Cb 0.46 -1.46 0.12 0.00 -2.33 0.00 0.00 43.42 40.21 1xx7 n LEU 77 CO 0.68 -0.02 0.69 -2.16 -1.33 0.00 0.00 177.39 175.24 1xx7 s PRO 78 N 4.58 1.62 0.24 3.23 0.04 -1.26 -4.85 135.00 138.61 1xx7 s PRO 78 Ca 0.93 0.75 -0.06 0.00 0.04 0.00 0.00 61.00 62.65 1xx7 s PRO 78 Cb -0.54 -1.86 0.45 0.00 0.04 0.00 0.00 34.50 32.59 1xx7 s PRO 78 CO 0.46 -1.97 1.66 -0.07 0.04 0.00 0.00 177.00 177.11 1xx7 h LEU 79 N -1.35 -0.19 -0.74 -3.56 3.38 -1.97 -0.82 115.31 110.06 1xx7 h LEU 79 Ca -0.48 0.17 0.10 0.00 0.09 0.00 0.00 57.88 57.76 1xx7 h LEU 79 Cb 1.28 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 42.23 1xx7 h LEU 79 CO 0.56 -0.12 0.37 0.77 0.09 0.00 0.00 178.44 180.11 1xx7 h SER 80 N 0.17 0.47 0.47 -0.43 4.64 -2.02 0.14 113.55 116.99 1xx7 h SER 80 Ca 0.41 0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.75 1xx7 h SER 80 Cb 0.72 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 1xx7 h SER 80 CO -0.59 0.26 -0.24 0.00 -0.87 0.00 0.00 176.83 175.39 1xx7 h ALA 81 N 1.46 1.28 0.00 5.18 0.00 -1.52 -3.15 119.26 122.51 1xx7 h ALA 81 Ca 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xx7 h ALA 81 Cb 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xx7 h ALA 81 CO -0.29 0.30 0.00 1.04 0.00 0.00 0.00 179.25 180.30 1xx7 n GLN 82 N -3.78 0.21 0.24 0.00 6.02 0.48 -2.08 117.38 118.48 1xx7 n GLN 82 Ca -0.01 0.23 0.07 0.00 -0.01 0.00 0.00 57.00 57.27 1xx7 n GLN 82 Cb 0.34 -1.77 0.59 0.00 1.02 0.00 0.00 30.24 30.41 1xx7 n GLN 82 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1xx7 h LYS 83 N 0.00 0.00 -0.00 -1.09 1.79 -1.49 -3.32 116.57 112.47 1xx7 h LYS 83 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1xx7 h LYS 83 Cb 0.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 1xx7 h LYS 83 CO 0.00 0.08 -0.20 0.66 -1.08 0.00 0.00 179.45 178.91 1xx7 n TYR 84 N -4.41 0.00 -4.00 -1.35 4.01 -0.89 -5.02 117.16 105.51 1xx7 n TYR 84 Ca -0.03 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.61 1xx7 n TYR 84 Cb 0.16 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.08 1xx7 n TYR 84 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xx7 s LEU 85 N -1.92 2.21 -0.67 7.72 1.43 -0.90 -5.11 118.68 121.44 1xx7 s LEU 85 Ca 0.03 -0.45 -0.19 0.00 -1.03 0.00 0.00 54.13 52.49 1xx7 s LEU 85 Cb 0.04 0.01 0.11 0.00 0.03 0.00 0.00 46.19 46.39 1xx7 s LEU 85 CO 0.19 -0.23 0.81 0.21 0.23 0.00 0.00 176.35 177.56 1xx7 s ASN 86 N -1.30 6.29 0.06 2.29 3.84 -1.26 -4.48 114.94 120.38 1xx7 s ASN 86 Ca -0.12 -1.56 -0.32 0.00 0.21 0.00 0.00 52.86 51.07 1xx7 s ASN 86 Cb -0.09 -2.33 -0.18 0.00 -0.55 0.00 0.00 41.25 38.10 1xx7 s ASN 86 CO -0.01 -1.12 1.52 0.50 -2.79 0.00 0.00 177.10 175.21 1xx7 h LYS 87 N 9.08 -0.88 -0.80 0.43 3.64 -1.94 -2.04 116.57 124.06 1xx7 h LYS 87 Ca -0.20 0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1xx7 h LYS 87 Cb 1.07 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 33.05 1xx7 h LYS 87 CO 1.09 -0.57 0.43 0.93 -2.27 0.00 0.00 179.45 179.05 1xx7 h GLU 88 N -0.98 1.11 -0.47 1.90 5.08 -1.99 -0.18 114.58 119.06 1xx7 h GLU 88 Ca -0.09 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1xx7 h GLU 88 Cb 0.72 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1xx7 h GLU 88 CO 0.15 0.82 0.18 1.49 -1.00 0.00 0.00 179.01 180.66 1xx7 h GLU 89 N 1.11 0.70 -0.30 2.33 4.81 -1.98 0.10 114.58 121.36 1xx7 h GLU 89 Ca 0.28 -0.13 -0.17 0.00 -0.13 0.00 0.00 59.36 59.21 1xx7 h GLU 89 Cb 0.04 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1xx7 h GLU 89 CO -0.04 0.63 -0.50 0.00 -0.73 0.00 0.00 179.01 178.37 1xx7 h ALA 90 N 1.03 0.55 -0.59 2.92 0.00 -0.99 -1.66 119.26 120.51 1xx7 h ALA 90 Ca 0.15 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.60 1xx7 h ALA 90 Cb 0.20 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1xx7 h ALA 90 CO -0.01 0.68 0.35 0.93 0.00 0.00 0.00 179.25 181.20 1xx7 h GLU 91 N 0.65 0.67 -0.13 0.00 5.08 -0.79 -0.81 114.58 119.24 1xx7 h GLU 91 Ca 0.03 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1xx7 h GLU 91 Cb 1.09 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1xx7 h GLU 91 CO 0.11 0.44 0.07 0.00 -1.00 0.00 0.00 179.01 178.63 1xx7 h ALA 92 N 1.27 0.17 -0.37 3.43 0.00 -0.76 0.99 119.26 123.99 1xx7 h ALA 92 Ca 0.24 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1xx7 h ALA 92 Cb 0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1xx7 h ALA 92 CO -0.12 -0.28 0.05 0.87 0.00 0.00 0.00 179.25 179.77 1xx7 h LYS 93 N 0.10 0.16 -0.35 0.00 6.56 -1.07 0.94 116.57 122.91 1xx7 h LYS 93 Ca 0.05 -0.01 -0.15 0.00 -1.06 0.00 0.00 60.65 59.48 1xx7 h LYS 93 Cb 0.10 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.71 1xx7 h LYS 93 CO -0.01 0.11 -0.37 0.00 -2.06 0.00 0.00 179.45 177.12 1xx7 h ALA 94 N 1.30 0.68 -0.43 3.86 0.00 -0.95 -1.80 119.26 121.92 1xx7 h ALA 94 Ca 0.18 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1xx7 h ALA 94 Cb 0.23 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1xx7 h ALA 94 CO -0.26 0.67 0.29 -0.07 0.00 0.00 0.00 179.25 179.87 1xx7 h LEU 95 N 0.68 0.49 -1.15 0.00 3.38 -0.56 -2.70 115.31 115.45 1xx7 h LEU 95 Ca 0.06 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1xx7 h LEU 95 Cb 0.94 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.50 1xx7 h LEU 95 CO 0.09 0.36 0.59 0.50 0.09 0.00 0.00 178.44 180.06 1xx7 h LYS 96 N 0.59 0.99 0.00 1.13 1.63 -0.49 0.27 116.57 120.68 1xx7 h LYS 96 Ca 0.16 -0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.82 1xx7 h LYS 96 Cb -0.07 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.33 1xx7 h LYS 96 CO -0.04 0.65 -0.36 -0.44 -3.45 0.00 0.00 179.45 175.81 1xx7 h ASP 97 N 1.02 0.00 0.00 4.20 3.32 -1.03 -3.16 116.42 120.76 1xx7 h ASP 97 Ca 0.39 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.37 1xx7 h ASP 97 Cb 0.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1xx7 h ASP 97 CO -0.15 0.36 -1.27 1.33 -1.72 0.00 0.00 179.24 177.80 1xx7 n VAL 98 N -3.59 0.27 -3.20 -1.35 0.24 -0.96 -4.86 118.33 104.88 1xx7 n VAL 98 Ca -0.00 -0.15 -0.23 0.00 -2.04 0.00 0.00 64.34 61.91 1xx7 n VAL 98 Cb 0.49 -0.85 -0.06 0.00 -1.47 0.00 0.00 33.84 31.96 1xx7 n VAL 98 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1xx7 n LEU 99 N -2.26 1.59 -0.20 1.34 4.77 0.90 -4.95 117.00 118.18 1xx7 n LEU 99 Ca -0.07 -5.06 -0.02 0.00 -0.03 0.00 0.00 56.01 50.83 1xx7 n LEU 99 Cb 0.62 0.27 0.08 0.00 -2.33 0.00 0.00 43.42 42.06 1xx7 n LEU 99 CO 0.07 2.17 1.04 1.55 -1.33 0.00 0.00 177.39 180.89 1xx7 h PRO 100 N 3.59 0.52 0.00 3.23 0.13 -1.53 0.38 132.00 138.32 1xx7 h PRO 100 Ca 0.11 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1xx7 h PRO 100 Cb 0.82 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1xx7 h PRO 100 CO 0.59 0.35 0.00 0.39 -0.23 0.00 0.00 178.00 179.09 1xx7 n GLU 101 N -4.88 0.00 -0.75 0.86 1.02 -1.26 0.07 120.64 115.70 1xx7 n GLU 101 Ca 0.07 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.25 1xx7 n GLU 101 Cb 0.19 0.00 0.31 0.00 -0.02 0.00 0.00 31.44 31.92 1xx7 n GLU 101 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1xx7 n TYR 102 N -1.70 1.67 -0.11 -0.32 4.01 0.12 -4.63 117.16 116.19 1xx7 n TYR 102 Ca 0.00 -0.97 -0.11 0.00 -0.16 0.00 0.00 57.90 56.66 1xx7 n TYR 102 Cb 0.00 -0.48 -0.03 0.00 -0.31 0.00 0.00 39.34 38.52 1xx7 n TYR 102 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1xx7 h THR 103 N 2.61 1.27 -0.67 -0.72 2.02 -0.42 -1.96 112.91 115.04 1xx7 h THR 103 Ca 0.08 -1.03 -0.04 0.00 0.77 0.00 0.00 66.41 66.20 1xx7 h THR 103 Cb 1.85 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 69.49 1xx7 h THR 103 CO 0.44 0.34 0.27 -0.33 0.37 0.00 0.00 175.52 176.61 1xx7 h GLU 104 N 0.41 0.97 -0.62 6.66 3.07 -1.82 -2.32 114.58 120.93 1xx7 h GLU 104 Ca 0.09 -0.16 -0.03 0.00 -0.50 0.00 0.00 59.36 58.76 1xx7 h GLU 104 Cb 0.50 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 1xx7 h GLU 104 CO 0.02 0.79 0.27 -0.07 -1.40 0.00 0.00 179.01 178.63 1xx7 h LEU 105 N 0.96 0.83 -0.07 1.33 3.38 -1.81 -1.49 115.31 118.44 1xx7 h LEU 105 Ca 0.23 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1xx7 h LEU 105 Cb 0.18 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1xx7 h LEU 105 CO -0.02 0.75 0.03 0.15 0.09 0.00 0.00 178.44 179.44 1xx7 h PHE 106 N 0.86 0.11 -0.68 1.13 3.57 -1.22 -2.49 116.94 118.21 1xx7 h PHE 106 Ca 0.21 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.82 1xx7 h PHE 106 Cb 0.16 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.79 1xx7 h PHE 106 CO 0.01 0.22 0.26 0.93 -2.23 0.00 0.00 178.31 177.49 1xx7 h GLU 107 N -0.04 0.41 -0.08 1.11 3.07 -1.34 0.44 114.58 118.16 1xx7 h GLU 107 Ca 0.02 -0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.90 1xx7 h GLU 107 Cb 0.16 -0.09 -0.06 0.00 -0.84 0.00 0.00 28.75 27.92 1xx7 h GLU 107 CO -0.00 0.27 -0.30 0.93 -1.40 0.00 0.00 179.01 178.51 1xx7 h GLU 108 N 0.42 -0.38 -0.20 2.33 5.08 -1.17 0.92 114.58 121.58 1xx7 h GLU 108 Ca 0.36 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.79 1xx7 h GLU 108 Cb 0.50 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1xx7 h GLU 108 CO -0.36 -0.26 -0.05 -0.92 -1.00 0.00 0.00 179.01 176.42 1xx7 h TYR 109 N -0.40 -0.10 -0.24 4.33 3.20 -0.86 0.56 116.97 123.46 1xx7 h TYR 109 Ca 0.08 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 1xx7 h TYR 109 Cb 0.53 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 1xx7 h TYR 109 CO -0.37 -0.09 -0.13 1.03 -1.64 0.00 0.00 178.16 176.97 1xx7 h SER 110 N 0.00 0.53 1.86 -2.11 0.87 0.40 -2.56 113.55 112.54 1xx7 h SER 110 Ca 0.10 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1xx7 h SER 110 Cb 0.14 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1xx7 h SER 110 CO -0.20 0.83 0.00 0.11 -0.53 0.00 0.00 176.83 177.03 1xx7 h LYS 111 N 0.23 0.00 -6.73 2.24 6.56 0.84 -3.48 116.57 116.23 1xx7 h LYS 111 Ca 0.05 0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 59.09 1xx7 h LYS 111 Cb 0.63 0.00 -0.20 0.00 -0.57 0.00 0.00 32.23 32.10 1xx7 h LYS 111 CO 0.04 0.00 -0.84 0.00 -2.06 0.00 0.00 179.45 176.59 1xx7 n ALA 112 N -2.06 -1.31 -0.02 3.86 0.00 0.20 -4.90 120.51 116.29 1xx7 n ALA 112 Ca 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 53.44 53.46 1xx7 n ALA 112 Cb 0.50 -3.40 -0.00 0.00 0.00 0.00 0.00 19.45 16.55 1xx7 n ALA 112 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1xx7 h LEU 113 N -1.54 -0.00 -9.77 0.00 3.38 -1.88 -3.40 115.31 102.11 1xx7 h LEU 113 Ca -0.59 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.81 1xx7 h LEU 113 Cb 1.38 0.00 0.18 0.00 0.09 0.00 0.00 40.66 42.31 1xx7 h LEU 113 CO 0.77 0.16 -0.12 0.35 0.09 0.00 0.00 178.44 179.69 1xx7 n THR 114 N -2.91 2.65 -0.19 0.22 -2.24 -1.26 -4.76 114.28 105.79 1xx7 n THR 114 Ca -0.00 -0.43 0.09 0.00 -2.27 0.00 0.00 64.05 61.44 1xx7 n THR 114 Cb 0.00 -0.94 0.39 0.00 -2.10 0.00 0.00 70.33 67.68 1xx7 n THR 114 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1xx7 h LEU 115 N -0.06 0.61 -0.46 3.22 -0.00 -1.96 -1.91 115.31 114.75 1xx7 h LEU 115 Ca -0.47 0.01 -0.11 0.00 -0.00 0.00 0.00 57.88 57.32 1xx7 h LEU 115 Cb 1.36 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.89 1xx7 h LEU 115 CO 0.46 0.37 -0.13 -0.33 -0.00 0.00 0.00 178.44 178.81 1xx7 h GLU 116 N 0.68 0.90 -0.51 0.17 3.07 -1.93 -1.24 114.58 115.73 1xx7 h GLU 116 Ca 0.34 -0.35 -0.08 0.00 -0.50 0.00 0.00 59.36 58.76 1xx7 h GLU 116 Cb 0.43 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 1xx7 h GLU 116 CO -0.12 1.00 -0.01 0.78 -1.40 0.00 0.00 179.01 179.26 1xx7 h GLY 117 N 0.74 0.98 1.15 -3.84 0.00 -1.72 -2.96 103.07 97.42 1xx7 h GLY 117 Ca 0.11 -0.73 -0.06 0.00 0.00 0.00 0.00 47.33 46.65 1xx7 h GLY 117 CO 0.05 0.67 0.16 1.46 0.00 0.00 0.00 176.54 178.88 1xx7 h GLN 118 N 0.77 1.06 -0.59 4.80 4.20 -1.29 -2.54 115.11 121.52 1xx7 h GLN 118 Ca 0.14 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1xx7 h GLN 118 Cb 0.54 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 1xx7 h GLN 118 CO 0.03 0.93 0.33 1.25 -0.67 0.00 0.00 178.83 180.71 1xx7 h LEU 119 N 1.01 0.74 -0.61 1.46 5.85 -1.19 -1.08 115.31 121.49 1xx7 h LEU 119 Ca 0.21 -0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.69 1xx7 h LEU 119 Cb 0.35 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1xx7 h LEU 119 CO 0.00 0.61 -0.65 0.58 -0.34 0.00 0.00 178.44 178.64 1xx7 h VAL 120 N 0.80 1.42 -0.70 1.05 2.07 -1.48 0.60 116.25 120.01 1xx7 h VAL 120 Ca 0.21 -2.11 -0.03 0.00 0.82 0.00 0.00 66.70 65.59 1xx7 h VAL 120 Cb 0.03 2.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1xx7 h VAL 120 CO -0.03 0.62 0.31 0.50 0.02 0.00 0.00 177.57 178.99 1xx7 h LYS 121 N 0.13 1.02 -0.50 1.57 1.63 -1.23 0.13 116.57 119.32 1xx7 h LYS 121 Ca -0.01 -0.16 -0.12 0.00 -0.85 0.00 0.00 60.65 59.51 1xx7 h LYS 121 Cb 1.17 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.61 1xx7 h LYS 121 CO 0.10 0.82 -0.15 0.82 -3.45 0.00 0.00 179.45 177.59 1xx7 h ILE 122 N 0.98 1.27 -0.62 2.00 5.03 -0.81 -2.21 117.51 123.15 1xx7 h ILE 122 Ca 0.24 -1.30 -0.09 0.00 -0.12 0.00 0.00 64.86 63.58 1xx7 h ILE 122 Cb 0.16 1.06 -0.02 0.00 -3.03 0.00 0.00 36.82 34.98 1xx7 h ILE 122 CO -0.03 0.45 0.02 0.00 -0.68 0.00 0.00 178.15 177.92 1xx7 h ALA 123 N 0.89 0.84 -0.39 1.87 0.00 -0.58 -0.83 119.26 121.06 1xx7 h ALA 123 Ca 0.12 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1xx7 h ALA 123 Cb 0.72 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1xx7 h ALA 123 CO 0.06 0.66 0.16 0.22 0.00 0.00 0.00 179.25 180.35 1xx7 h ASP 124 N 0.99 0.21 -0.06 0.00 3.58 -0.68 -0.98 116.42 119.48 1xx7 h ASP 124 Ca 0.18 0.03 -0.19 0.00 0.42 0.00 0.00 57.03 57.47 1xx7 h ASP 124 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1xx7 h ASP 124 CO 0.03 0.16 -0.64 0.11 -2.88 0.00 0.00 179.24 176.01 1xx7 h LYS 125 N 0.34 0.67 -0.69 0.28 1.57 -1.26 -2.85 116.57 114.62 1xx7 h LYS 125 Ca 0.17 -0.48 -0.06 0.00 -1.87 0.00 0.00 60.65 58.41 1xx7 h LYS 125 Cb 0.12 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1xx7 h LYS 125 CO -0.15 1.10 0.19 -0.07 -0.57 0.00 0.00 179.45 179.95 1xx7 h LEU 126 N 0.49 1.02 -0.30 2.94 3.38 -0.94 -0.53 115.31 121.37 1xx7 h LEU 126 Ca -0.01 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.79 1xx7 h LEU 126 Cb 1.23 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1xx7 h LEU 126 CO 0.13 0.96 0.12 -0.78 0.09 0.00 0.00 178.44 178.96 1xx7 h ASP 127 N 1.04 0.16 -0.44 -0.43 3.58 -1.13 -1.02 116.42 118.17 1xx7 h ASP 127 Ca 0.22 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 1xx7 h ASP 127 Cb 0.33 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 1xx7 h ASP 127 CO -0.00 0.13 0.24 -0.03 -2.88 0.00 0.00 179.24 176.70 1xx7 h MET 128 N 0.27 0.62 -0.26 0.28 4.05 -1.28 0.31 114.93 118.91 1xx7 h MET 128 Ca 0.13 -0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.42 1xx7 h MET 128 Cb 0.08 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 1xx7 h MET 128 CO -0.12 0.49 -0.08 0.82 0.23 0.00 0.00 176.91 178.25 1xx7 h ILE 129 N 0.58 1.29 -0.69 1.77 2.04 -0.95 -1.51 117.51 120.04 1xx7 h ILE 129 Ca 0.16 -1.11 -0.06 0.00 1.00 0.00 0.00 64.86 64.85 1xx7 h ILE 129 Cb 0.05 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1xx7 h ILE 129 CO -0.03 0.35 0.20 0.40 0.00 0.00 0.00 178.15 179.08 1xx7 h ILE 130 N 0.27 1.25 -0.15 -0.67 2.04 -1.19 -2.51 117.51 116.55 1xx7 h ILE 130 Ca 0.07 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 64.96 1xx7 h ILE 130 Cb 0.56 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1xx7 h ILE 130 CO 0.03 0.35 -0.23 -0.61 0.00 0.00 0.00 178.15 177.68 1xx7 h GLN 131 N 1.02 0.25 -0.40 2.37 5.75 -0.69 -2.13 115.11 121.29 1xx7 h GLN 131 Ca 0.22 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.61 1xx7 h GLN 131 Cb 0.31 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 1xx7 h GLN 131 CO -0.01 0.48 0.14 0.00 -2.65 0.00 0.00 178.83 176.80 1xx7 h ALA 132 N 1.53 0.52 -0.73 3.38 0.00 -0.92 -0.04 119.26 123.01 1xx7 h ALA 132 Ca 0.04 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1xx7 h ALA 132 Cb 0.54 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1xx7 h ALA 132 CO 0.04 0.15 0.44 -0.92 0.00 0.00 0.00 179.25 178.96 1xx7 h TYR 133 N 0.50 0.82 -0.29 0.00 3.20 -1.06 0.24 116.97 120.39 1xx7 h TYR 133 Ca 0.13 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.91 1xx7 h TYR 133 Cb 0.23 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 1xx7 h TYR 133 CO 0.01 0.44 -0.28 0.93 -1.64 0.00 0.00 178.16 177.62 1xx7 h GLU 134 N 0.84 0.71 -0.03 1.82 5.08 -1.08 -1.54 114.58 120.38 1xx7 h GLU 134 Ca 0.31 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1xx7 h GLU 134 Cb 0.09 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1xx7 h GLU 134 CO -0.14 0.99 -0.17 1.88 -1.00 0.00 0.00 179.01 180.57 1xx7 h TYR 135 N 0.45 0.04 -0.46 4.33 0.05 -0.85 -2.68 116.97 117.85 1xx7 h TYR 135 Ca 0.05 -0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.70 1xx7 h TYR 135 Cb 0.85 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.56 1xx7 h TYR 135 CO 0.07 0.21 -0.18 0.93 -1.05 0.00 0.00 178.16 178.14 1xx7 h GLU 136 N 0.04 0.91 -0.79 4.88 5.08 -0.56 -1.14 114.58 123.00 1xx7 h GLU 136 Ca 0.01 -0.36 0.07 0.00 -1.00 0.00 0.00 59.36 58.08 1xx7 h GLU 136 Cb 0.32 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 1xx7 h GLU 136 CO 0.02 1.01 0.51 -0.07 -1.00 0.00 0.00 179.01 179.49 1xx7 h LEU 137 N 0.80 0.72 -0.89 1.33 3.38 -0.99 -0.82 115.31 118.83 1xx7 h LEU 137 Ca 0.11 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1xx7 h LEU 137 Cb 0.73 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1xx7 h LEU 137 CO 0.06 0.45 0.00 -1.20 0.09 0.00 0.00 178.44 177.84 1xx7 n SER 138 N -4.49 1.35 0.00 -0.43 7.64 -1.04 -4.95 113.62 111.70 1xx7 n SER 138 Ca 0.12 -1.64 0.00 0.00 1.01 0.00 0.00 58.87 58.36 1xx7 n SER 138 Cb 0.25 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1xx7 n SER 138 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xx7 n GLY 139 N 1.07 1.24 3.68 0.23 0.00 -0.31 -5.07 105.19 106.02 1xx7 n GLY 139 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1xx7 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xx7 s ALA 140 N -1.03 3.65 -2.03 4.61 0.00 -0.48 -4.87 121.76 121.62 1xx7 s ALA 140 Ca 0.00 1.16 0.18 0.00 0.00 0.00 0.00 51.96 53.30 1xx7 s ALA 140 Cb 0.00 -3.73 0.28 0.00 0.00 0.00 0.00 23.12 19.66 1xx7 s ALA 140 CO 0.00 -1.26 1.21 1.63 0.00 0.00 0.00 175.76 177.34 1xx7 n LYS 141 N 6.32 2.01 -0.98 0.00 5.02 -1.26 -4.23 118.16 125.05 1xx7 n LYS 141 Ca 0.17 -1.90 0.03 0.00 -2.02 0.00 0.00 58.31 54.59 1xx7 n LYS 141 Cb 0.41 -1.39 0.15 0.00 -0.02 0.00 0.00 35.03 34.18 1xx7 n LYS 141 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1xx7 n ASN 142 N 1.09 1.80 -0.63 4.39 6.94 -1.26 -4.75 115.26 122.85 1xx7 n ASN 142 Ca 0.14 -3.42 0.06 0.00 -0.02 0.00 0.00 54.58 51.34 1xx7 n ASN 142 Cb 0.49 -0.46 0.16 0.00 -2.36 0.00 0.00 39.78 37.61 1xx7 n ASN 142 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1xx7 n LEU 143 N -0.71 3.00 -0.34 -4.53 4.77 -1.26 -4.78 117.00 113.16 1xx7 n LEU 143 Ca 0.18 -2.16 0.13 0.00 -0.03 0.00 0.00 56.01 54.12 1xx7 n LEU 143 Cb 0.82 -0.26 0.31 0.00 -2.33 0.00 0.00 43.42 41.96 1xx7 n LEU 143 CO -0.00 0.71 1.16 0.77 -1.33 0.00 0.00 177.39 178.69 1xx7 h SER 144 N 1.83 0.68 0.61 -1.43 4.64 -1.96 -2.38 113.55 115.55 1xx7 h SER 144 Ca 0.00 0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 1xx7 h SER 144 Cb 0.83 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1xx7 h SER 144 CO 0.03 0.21 -0.10 1.05 -0.87 0.00 0.00 176.83 177.16 1xx7 h GLU 145 N 0.68 0.00 0.00 4.77 9.09 -2.01 -2.09 114.58 125.02 1xx7 h GLU 145 Ca 0.57 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.98 1xx7 h GLU 145 Cb 0.92 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.02 1xx7 h GLU 145 CO -0.41 0.10 0.00 1.19 0.05 0.00 0.00 179.01 179.94 1xx7 n PHE 146 N -3.37 0.00 0.88 2.06 3.72 -0.90 -1.38 117.46 118.47 1xx7 n PHE 146 Ca -0.01 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.51 1xx7 n PHE 146 Cb 0.28 -0.30 0.25 0.00 -0.94 0.00 0.00 39.48 38.77 1xx7 n PHE 146 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1xx7 n TRP 147 N -1.30 0.14 0.36 1.38 7.02 -0.79 -3.87 117.44 120.39 1xx7 n TRP 147 Ca 0.05 0.04 0.04 0.00 -1.02 0.00 0.00 57.50 56.61 1xx7 n TRP 147 Cb 0.10 -0.37 0.19 0.00 -2.42 0.00 0.00 31.31 28.81 1xx7 n TRP 147 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1xx7 n ASN 148 N -1.66 0.00 0.25 -0.99 3.02 -0.48 -2.35 115.26 113.04 1xx7 n ASN 148 Ca 0.05 0.19 0.15 0.00 -0.03 0.00 0.00 54.58 54.94 1xx7 n ASN 148 Cb 0.36 -0.30 0.46 0.00 -0.61 0.00 0.00 39.78 39.70 1xx7 n ASN 148 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xx7 h ALA 149 N 2.36 1.00 -0.32 5.41 0.00 -1.75 -3.28 119.26 122.69 1xx7 h ALA 149 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1xx7 h ALA 149 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xx7 h ALA 149 CO 0.00 0.00 0.01 -0.07 0.00 0.00 0.00 179.25 179.19 1xx7 h LEU 150 N 0.00 0.54 -1.19 0.00 4.07 -1.77 -2.45 115.31 114.50 1xx7 h LEU 150 Ca 0.00 -0.30 0.13 0.00 0.08 0.00 0.00 57.88 57.79 1xx7 h LEU 150 Cb 0.72 -0.14 -0.07 0.00 1.08 0.00 0.00 40.66 42.24 1xx7 h LEU 150 CO 0.00 0.70 0.59 -0.33 -1.08 0.00 0.00 178.44 178.32 1xx7 h GLU 151 N 0.36 0.79 -0.75 1.13 5.08 -1.78 -1.52 114.58 117.89 1xx7 h GLU 151 Ca 0.09 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1xx7 h GLU 151 Cb 0.42 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1xx7 h GLU 151 CO 0.01 0.52 0.29 -0.44 -1.00 0.00 0.00 179.01 178.39 1xx7 h ASP 152 N 0.81 1.04 0.32 1.42 3.32 -1.55 -3.25 116.42 118.53 1xx7 h ASP 152 Ca 0.45 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 1xx7 h ASP 152 Cb 0.59 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1xx7 h ASP 152 CO -0.22 0.93 -0.26 -0.07 -1.72 0.00 0.00 179.24 177.91 1xx7 h LEU 153 N 1.10 -0.67 -1.85 1.55 3.38 -0.83 -1.95 115.31 116.04 1xx7 h LEU 153 Ca 0.25 0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.40 1xx7 h LEU 153 Cb 0.23 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1xx7 h LEU 153 CO -0.02 -0.39 0.53 -0.33 0.09 0.00 0.00 178.44 178.32 1xx7 h GLU 154 N -0.58 0.00 -0.26 1.13 5.08 -1.55 0.35 114.58 118.75 1xx7 h GLU 154 Ca -0.02 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1xx7 h GLU 154 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1xx7 h GLU 154 CO -0.02 0.00 0.22 0.87 -1.00 0.00 0.00 179.01 179.08 1xx7 h LYS 155 N 0.00 0.00 -5.90 2.33 1.57 -1.38 -3.44 116.57 109.75 1xx7 h LYS 155 Ca 0.21 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.39 1xx7 h LYS 155 Cb 1.26 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.50 1xx7 h LYS 155 CO -0.00 0.00 -0.17 -0.51 -0.57 0.00 0.00 179.45 178.20 1xx7 s LEU 156 N -8.28 4.39 0.25 2.94 1.43 0.12 -4.99 118.68 114.55 1xx7 s LEU 156 Ca -0.05 0.91 -0.05 0.00 -1.03 0.00 0.00 54.13 53.91 1xx7 s LEU 156 Cb 0.17 -2.64 0.31 0.00 0.03 0.00 0.00 46.19 44.06 1xx7 s LEU 156 CO 0.63 0.19 1.89 1.05 0.23 0.00 0.00 176.35 180.34 1xx7 h GLU 157 N 5.54 1.13 0.00 1.70 4.11 -1.86 -2.32 114.58 122.89 1xx7 h GLU 157 Ca -0.47 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 58.89 1xx7 h GLU 157 Cb 1.20 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 1xx7 h GLU 157 CO 0.68 0.75 -0.03 0.97 0.07 0.00 0.00 179.01 181.45 1xx7 h ILE 158 N 1.17 0.71 -0.15 -1.06 6.09 -1.94 -2.29 117.51 120.04 1xx7 h ILE 158 Ca 0.38 -0.12 0.04 0.00 -1.37 0.00 0.00 64.86 63.79 1xx7 h ILE 158 Cb 0.03 1.07 -0.01 0.00 0.47 0.00 0.00 36.82 38.39 1xx7 h ILE 158 CO -0.13 0.03 0.33 0.77 -3.07 0.00 0.00 178.15 176.08 1xx7 h SER 159 N 0.00 0.00 1.08 2.19 4.64 -1.68 0.55 113.55 120.33 1xx7 h SER 159 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xx7 h SER 159 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1xx7 h SER 159 CO 0.00 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 175.99 1xx7 h ARG 160 N 0.00 0.00 -0.24 4.77 3.08 -1.60 -2.24 114.38 118.14 1xx7 h ARG 160 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1xx7 h ARG 160 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1xx7 h ARG 160 CO -0.00 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.56 1xx7 n TYR 161 N -2.51 0.30 -2.24 3.04 4.01 0.19 -4.45 117.16 115.50 1xx7 n TYR 161 Ca 0.03 -0.15 -0.05 0.00 -0.16 0.00 0.00 57.90 57.56 1xx7 n TYR 161 Cb 0.32 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.42 1xx7 n TYR 161 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1xx7 n LEU 162 N 0.94 2.73 0.13 7.72 4.77 -0.84 -4.85 117.00 127.60 1xx7 n LEU 162 Ca 0.17 -3.54 -0.00 0.00 -0.03 0.00 0.00 56.01 52.61 1xx7 n LEU 162 Cb 0.48 -0.09 0.14 0.00 -2.33 0.00 0.00 43.42 41.61 1xx7 n LEU 162 CO 0.15 1.34 0.47 0.03 -1.33 0.00 0.00 177.39 178.04 1xx7 h ARG 163 N 1.79 0.00 -0.19 3.23 -0.00 -1.78 -2.64 114.38 114.80 1xx7 h ARG 163 Ca 0.03 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.44 1xx7 h ARG 163 Cb 1.42 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.38 1xx7 h ARG 163 CO 0.30 0.62 -0.14 0.93 0.00 0.00 0.00 179.97 181.68 1xx7 h GLU 164 N 0.00 0.43 -0.40 0.04 3.07 -1.93 -1.83 114.58 113.97 1xx7 h GLU 164 Ca -0.01 -0.21 -0.14 0.00 -0.50 0.00 0.00 59.36 58.50 1xx7 h GLU 164 Cb 1.22 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.12 1xx7 h GLU 164 CO 0.08 0.76 -0.31 0.97 -1.40 0.00 0.00 179.01 179.12 1xx7 h ILE 165 N 0.11 1.27 -0.04 3.13 6.09 -1.95 -0.89 117.51 125.23 1xx7 h ILE 165 Ca 0.04 -1.47 -0.02 0.00 -1.37 0.00 0.00 64.86 62.04 1xx7 h ILE 165 Cb 0.66 1.28 -0.00 0.00 0.47 0.00 0.00 36.82 39.23 1xx7 h ILE 165 CO 0.04 0.49 -0.06 0.40 -3.07 0.00 0.00 178.15 175.95 1xx7 h ILE 166 N 0.75 1.07 0.08 2.19 2.04 -1.48 -2.09 117.51 120.07 1xx7 h ILE 166 Ca 0.08 -0.30 -0.12 0.00 1.00 0.00 0.00 64.86 65.51 1xx7 h ILE 166 Cb 0.87 1.11 0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1xx7 h ILE 166 CO 0.08 0.09 -0.53 -0.33 0.00 0.00 0.00 178.15 177.46 1xx7 h GLU 167 N 0.05 0.22 -0.99 2.37 5.08 -1.07 -2.05 114.58 118.20 1xx7 h GLU 167 Ca 0.01 -0.34 0.33 0.00 -1.00 0.00 0.00 59.36 58.36 1xx7 h GLU 167 Cb 0.14 0.12 -0.16 0.00 0.50 0.00 0.00 28.75 29.36 1xx7 h GLU 167 CO 0.01 1.13 0.50 0.93 -1.00 0.00 0.00 179.01 180.58 1xx7 h GLU 168 N -0.51 0.21 0.01 2.33 5.08 -0.94 -0.11 114.58 120.66 1xx7 h GLU 168 Ca -0.09 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1xx7 h GLU 168 Cb 1.38 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.59 1xx7 h GLU 168 CO 0.10 0.14 -0.33 0.28 -1.00 0.00 0.00 179.01 178.20 1xx7 h VAL 169 N 0.22 1.55 -0.73 3.13 2.07 -1.37 -3.17 116.25 117.95 1xx7 h VAL 169 Ca 0.74 -2.05 0.16 0.00 0.82 0.00 0.00 66.70 66.36 1xx7 h VAL 169 Cb 1.73 2.83 -0.12 0.00 -1.52 0.00 0.00 31.29 34.21 1xx7 h VAL 169 CO -0.67 0.57 0.07 0.03 0.02 0.00 0.00 177.57 177.59 1xx7 h ARG 170 N -0.47 0.16 0.00 1.57 -0.00 -0.71 0.12 114.38 115.04 1xx7 h ARG 170 Ca -0.05 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.43 1xx7 h ARG 170 Cb 1.11 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 31.05 1xx7 h ARG 170 CO 0.07 0.10 0.00 -2.13 0.00 0.00 0.00 179.97 178.01 1xx7 n ARG 171 N -5.27 0.02 0.00 0.04 0.63 -0.12 -5.10 116.66 106.87 1xx7 n ARG 171 Ca 0.13 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.17 1xx7 n ARG 171 Cb 0.46 -1.21 0.09 0.00 0.45 0.00 0.00 32.46 32.24 1xx7 n ARG 171 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40