#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xb4 n SER 2 N 0.00 -0.75 0.00 3.17 7.64 -1.26 -5.14 113.62 117.28 1xb4 n SER 2 Ca 0.00 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1xb4 n SER 2 Cb 0.00 0.90 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 1xb4 n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xb4 n ALA 3 N -2.83 0.00 -2.71 -0.43 0.00 -1.26 -4.81 120.51 108.47 1xb4 n ALA 3 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1xb4 n ALA 3 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1xb4 n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xb4 s LEU 4 N 0.00 3.69 0.79 0.00 1.43 -1.26 -3.51 118.68 119.82 1xb4 s LEU 4 Ca 0.00 0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 1xb4 s LEU 4 Cb 0.00 -1.91 0.08 0.00 0.03 0.00 0.00 46.19 44.40 1xb4 s LEU 4 CO 0.00 0.36 1.14 -2.84 0.23 0.00 0.00 176.35 175.24 1xb4 s PRO 5 N -1.05 1.92 0.21 1.29 0.02 -1.26 -4.98 135.00 131.15 1xb4 s PRO 5 Ca 0.15 -0.05 0.07 0.00 0.02 0.00 0.00 61.00 61.19 1xb4 s PRO 5 Cb -0.11 -2.01 0.14 0.00 0.02 0.00 0.00 34.50 32.53 1xb4 s PRO 5 CO 0.04 -1.56 1.48 -1.35 -0.33 0.00 0.00 177.00 175.29 1xb4 h PRO 6 N -0.97 0.07 0.00 5.54 0.11 -2.00 -2.73 132.00 132.04 1xb4 h PRO 6 Ca -0.45 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1xb4 h PRO 6 Cb 1.32 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1xb4 h PRO 6 CO 0.62 0.80 0.00 -0.24 -0.21 0.00 0.00 178.00 178.96 1xb4 h VAL 7 N 0.05 0.00 -0.00 3.15 3.04 -1.97 -2.44 116.25 118.07 1xb4 h VAL 7 Ca -0.02 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 1xb4 h VAL 7 Cb 1.34 1.13 -0.00 0.00 -2.01 0.00 0.00 31.29 31.75 1xb4 h VAL 7 CO 0.11 0.00 0.01 0.22 -1.01 0.00 0.00 177.57 176.89 1xb4 h TYR 8 N 0.00 0.00 -0.71 3.17 3.20 -1.86 0.35 116.97 121.12 1xb4 h TYR 8 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1xb4 h TYR 8 Cb 0.32 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1xb4 h TYR 8 CO 0.00 0.00 0.00 0.43 -1.64 0.00 0.00 178.16 176.95 1xb4 n SER 9 N -3.41 3.98 -4.41 -2.11 7.64 -0.92 -4.86 113.62 109.53 1xb4 n SER 9 Ca -0.03 -2.04 -0.44 0.00 1.01 0.00 0.00 58.87 57.37 1xb4 n SER 9 Cb 0.08 -0.49 -0.04 0.00 -1.01 0.00 0.00 64.21 62.76 1xb4 n SER 9 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1xb4 s PHE 10 N -1.07 3.01 0.11 1.43 5.36 0.11 -4.94 117.98 121.99 1xb4 s PHE 10 Ca 0.48 -1.06 -0.18 0.00 -0.96 0.00 0.00 56.93 55.21 1xb4 s PHE 10 Cb 0.25 -4.14 0.00 0.00 -0.34 0.00 0.00 43.02 38.80 1xb4 s PHE 10 CO 0.32 -1.41 0.97 -2.30 -1.46 0.00 0.00 175.22 171.34 1xb4 n PRO 11 N 6.54 -0.25 0.26 10.12 -0.02 -1.26 -0.78 135.00 149.61 1xb4 n PRO 11 Ca 0.03 0.96 0.07 0.00 -2.02 0.00 0.00 63.50 62.54 1xb4 n PRO 11 Cb 0.45 -1.41 0.25 0.00 -0.02 0.00 0.00 33.50 32.77 1xb4 n PRO 11 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1xb4 h PRO 12 N 0.00 0.00 -0.14 0.52 0.11 -1.93 0.70 132.00 131.26 1xb4 h PRO 12 Ca 0.13 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.05 1xb4 h PRO 12 Cb 0.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1xb4 h PRO 12 CO -0.60 0.00 -0.70 1.25 -0.21 0.00 0.00 178.00 177.74 1xb4 h LEU 13 N 0.00 0.71 -0.54 2.35 5.85 -1.31 -3.08 115.31 119.29 1xb4 h LEU 13 Ca 0.07 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1xb4 h LEU 13 Cb 1.80 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.62 1xb4 h LEU 13 CO -0.00 1.20 0.00 1.88 -0.34 0.00 0.00 178.44 181.18 1xb4 h TYR 14 N 0.43 0.00 -3.34 1.25 0.05 0.25 -3.42 116.97 112.19 1xb4 h TYR 14 Ca -0.03 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 58.19 1xb4 h TYR 14 Cb 1.29 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.96 1xb4 h TYR 14 CO 0.06 0.00 -0.03 0.99 -1.05 0.00 0.00 178.16 178.13 1xb4 s THR 15 N -3.28 5.11 0.54 -2.88 2.01 -1.16 -4.39 115.64 111.58 1xb4 s THR 15 Ca 0.06 1.19 -0.20 0.00 0.31 0.00 0.00 61.69 63.05 1xb4 s THR 15 Cb 0.10 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 1xb4 s THR 15 CO 0.47 0.30 1.19 -0.60 -0.69 0.00 0.00 174.62 175.29 1xb4 s ARG 16 N 0.66 3.30 -0.21 4.92 3.52 -1.26 -4.97 118.95 124.92 1xb4 s ARG 16 Ca 0.32 1.80 -0.08 0.00 -0.13 0.00 0.00 55.73 57.63 1xb4 s ARG 16 Cb -0.16 -2.11 -0.04 0.00 -1.56 0.00 0.00 34.95 31.08 1xb4 s ARG 16 CO 0.14 -0.93 0.08 -0.65 -0.81 0.00 0.00 175.30 173.13 1xb4 s GLN 17 N -3.11 3.93 -0.61 5.12 -1.52 -1.26 -5.04 119.66 117.17 1xb4 s GLN 17 Ca 0.72 -0.36 -0.28 0.00 -1.95 0.00 0.00 55.36 53.49 1xb4 s GLN 17 Cb -0.29 -3.29 0.03 0.00 -0.22 0.00 0.00 33.01 29.23 1xb4 s GLN 17 CO 0.33 0.14 1.27 -1.25 -0.25 0.00 0.00 175.29 175.54 1xb4 s PRO 18 N 0.74 3.40 0.00 2.91 0.04 -1.26 -4.22 135.00 136.61 1xb4 s PRO 18 Ca 0.04 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.29 1xb4 s PRO 18 Cb -0.13 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1xb4 s PRO 18 CO 0.02 -1.84 0.00 -1.71 0.04 0.00 0.00 177.00 173.51 1xb4 n ASN 19 N 8.93 0.00 -0.15 6.66 2.85 -1.26 -4.91 115.26 127.38 1xb4 n ASN 19 Ca 0.09 0.00 -0.06 0.00 -0.11 0.00 0.00 54.58 54.49 1xb4 n ASN 19 Cb 0.49 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.51 1xb4 n ASN 19 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1xb4 h SER 20 N 0.00 -1.06 0.15 1.20 0.87 -1.99 0.13 113.55 112.85 1xb4 h SER 20 Ca 0.00 0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1xb4 h SER 20 Cb 0.00 0.52 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1xb4 h SER 20 CO 0.00 -0.30 -0.18 -0.07 -0.53 0.00 0.00 176.83 175.74 1xb4 h LEU 21 N -0.20 -0.52 0.22 2.23 3.38 -1.97 -1.87 115.31 116.58 1xb4 h LEU 21 Ca 0.20 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1xb4 h LEU 21 Cb 0.53 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1xb4 h LEU 21 CO -0.59 -0.23 -0.41 0.74 0.09 0.00 0.00 178.44 178.04 1xb4 h THR 22 N -0.34 0.00 -0.94 0.22 2.02 -1.84 -2.32 112.91 109.72 1xb4 h THR 22 Ca -0.02 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.44 1xb4 h THR 22 Cb 0.30 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.56 1xb4 h THR 22 CO -0.04 0.00 0.29 -0.09 0.37 0.00 0.00 175.52 176.04 1xb4 h ARG 23 N -0.68 0.15 -0.86 6.66 2.43 -0.81 0.60 114.38 121.87 1xb4 h ARG 23 Ca -0.02 -0.01 0.17 0.00 -0.81 0.00 0.00 59.98 59.31 1xb4 h ARG 23 Cb 0.64 -0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 30.05 1xb4 h ARG 23 CO -0.15 0.10 0.41 -0.09 -1.51 0.00 0.00 179.97 178.73 1xb4 h ARG 24 N 0.16 0.51 0.08 0.20 9.65 -0.76 0.28 114.38 124.51 1xb4 h ARG 24 Ca 0.63 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.47 1xb4 h ARG 24 Cb 1.37 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 1xb4 h ARG 24 CO -0.72 0.34 -0.04 1.96 2.80 0.00 0.00 179.97 184.32 1xb4 h GLN 25 N 0.53 -0.10 -0.77 0.20 1.08 0.27 -2.92 115.11 113.40 1xb4 h GLN 25 Ca 0.50 0.01 0.18 0.00 -1.45 0.00 0.00 58.65 57.88 1xb4 h GLN 25 Cb 0.81 0.02 -0.13 0.00 -0.05 0.00 0.00 27.48 28.13 1xb4 h GLN 25 CO -0.43 0.45 0.00 0.37 -0.95 0.00 0.00 178.83 178.27 1xb4 h GLN 26 N -0.86 0.09 -0.18 1.46 4.15 -0.71 0.11 115.11 119.17 1xb4 h GLN 26 Ca -0.01 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 1xb4 h GLN 26 Cb 0.60 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 1xb4 h GLN 26 CO 0.02 0.06 0.11 0.82 -1.93 0.00 0.00 178.83 177.91 1xb4 h ILE 27 N 0.10 1.08 -0.44 2.39 2.04 -0.52 -1.72 117.51 120.44 1xb4 h ILE 27 Ca 0.42 -0.19 0.09 0.00 1.00 0.00 0.00 64.86 66.18 1xb4 h ILE 27 Cb 0.74 0.88 -0.08 0.00 -0.74 0.00 0.00 36.82 37.62 1xb4 h ILE 27 CO -0.68 0.07 -0.11 0.28 0.00 0.00 0.00 178.15 177.71 1xb4 h SER 28 N 0.22 -0.42 -0.64 1.72 0.02 -0.68 0.64 113.55 114.41 1xb4 h SER 28 Ca 0.07 0.13 0.14 0.00 -0.84 0.00 0.00 61.79 61.28 1xb4 h SER 28 Cb 0.02 0.27 -0.11 0.00 0.14 0.00 0.00 62.40 62.73 1xb4 h SER 28 CO -0.01 -0.15 -0.04 0.74 -1.14 0.00 0.00 176.83 176.23 1xb4 h THR 29 N -0.00 0.43 -0.19 -2.27 2.02 -0.44 0.46 112.91 112.93 1xb4 h THR 29 Ca 0.21 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 1xb4 h THR 29 Cb 0.32 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1xb4 h THR 29 CO -0.45 0.01 0.03 -0.50 0.37 0.00 0.00 175.52 174.99 1xb4 h TRP 30 N 0.08 0.32 -0.35 3.16 4.06 0.11 0.12 115.95 123.46 1xb4 h TRP 30 Ca 0.33 -0.04 0.06 0.00 2.06 0.00 0.00 58.89 61.30 1xb4 h TRP 30 Cb 0.54 -0.09 -0.08 0.00 -1.00 0.00 0.00 29.16 28.53 1xb4 h TRP 30 CO -0.41 0.45 -0.44 0.82 -3.56 0.00 0.00 178.44 175.29 1xb4 h ILE 31 N 0.10 0.10 -0.63 1.49 1.08 0.17 -0.43 117.51 119.39 1xb4 h ILE 31 Ca 0.06 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.64 1xb4 h ILE 31 Cb 0.30 0.10 -0.08 0.00 -3.07 0.00 0.00 36.82 34.07 1xb4 h ILE 31 CO 0.00 0.00 0.19 -0.78 -0.69 0.00 0.00 178.15 176.87 1xb4 h ASP 32 N -0.37 0.12 -0.90 1.72 1.82 0.23 -0.41 116.42 118.63 1xb4 h ASP 32 Ca 0.12 0.10 0.02 0.00 -0.39 0.00 0.00 57.03 56.88 1xb4 h ASP 32 Cb 0.60 0.11 -0.05 0.00 0.68 0.00 0.00 39.33 40.67 1xb4 h ASP 32 CO -0.54 0.06 0.60 0.40 -1.61 0.00 0.00 179.24 178.15 1xb4 h ILE 33 N 0.34 1.19 0.93 2.25 2.04 0.35 -1.98 117.51 122.62 1xb4 h ILE 33 Ca 0.33 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 1xb4 h ILE 33 Cb 0.47 -0.09 0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1xb4 h ILE 33 CO -0.38 0.21 -0.45 0.40 0.00 0.00 0.00 178.15 177.94 1xb4 h ILE 34 N 1.18 0.04 -0.09 -0.67 1.08 0.50 -0.30 117.51 119.24 1xb4 h ILE 34 Ca 0.35 -0.06 0.04 0.00 -0.39 0.00 0.00 64.86 64.80 1xb4 h ILE 34 Cb -0.06 0.04 -0.06 0.00 -3.07 0.00 0.00 36.82 33.67 1xb4 h ILE 34 CO -0.09 0.00 -0.40 0.28 -0.69 0.00 0.00 178.15 177.25 1xb4 h SER 35 N -1.30 -1.24 -1.00 1.72 0.02 -1.31 0.35 113.55 110.79 1xb4 h SER 35 Ca -0.13 0.16 0.18 0.00 -0.84 0.00 0.00 61.79 61.16 1xb4 h SER 35 Cb 0.96 0.50 -0.10 0.00 0.14 0.00 0.00 62.40 63.90 1xb4 h SER 35 CO 0.21 -0.42 0.62 1.56 -1.14 0.00 0.00 176.83 177.65 1xb4 h GLN 36 N -0.50 0.78 0.57 3.45 1.08 -1.35 0.54 115.11 119.68 1xb4 h GLN 36 Ca 0.07 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 1xb4 h GLN 36 Cb 0.62 -0.18 0.01 0.00 -0.05 0.00 0.00 27.48 27.88 1xb4 h GLN 36 CO -0.36 0.51 -0.28 -0.92 -0.95 0.00 0.00 178.83 176.84 1xb4 h TYR 37 N 0.80 -0.71 -0.67 2.96 5.03 0.26 -2.20 116.97 122.44 1xb4 h TYR 37 Ca 0.56 -0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.92 1xb4 h TYR 37 Cb 0.82 0.24 -0.06 0.00 1.55 0.00 0.00 36.73 39.28 1xb4 h TYR 37 CO -0.00 -0.40 0.35 0.00 -1.32 0.00 0.00 178.16 176.78 1xb4 h LYS 39 N 0.63 -0.62 -0.12 0.00 3.64 0.04 0.35 116.57 120.49 1xb4 h LYS 39 Ca 0.31 0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.63 1xb4 h LYS 39 Cb 0.25 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1xb4 h LYS 39 CO -0.22 -0.41 -0.38 1.79 -2.27 0.00 0.00 179.45 177.96 1xb4 h THR 40 N -0.64 1.30 -0.20 1.00 1.35 -1.01 -1.77 112.91 112.94 1xb4 h THR 40 Ca 0.01 -1.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.42 1xb4 h THR 40 Cb 0.65 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1xb4 h THR 40 CO -0.18 0.44 0.00 0.29 -0.25 0.00 0.00 175.52 175.82 1xb4 n LYS 41 N -4.05 1.62 -3.89 4.72 5.02 -0.38 -4.90 118.16 116.30 1xb4 n LYS 41 Ca -0.01 -0.95 -0.26 0.00 -2.02 0.00 0.00 58.31 55.07 1xb4 n LYS 41 Cb 0.46 -1.31 0.01 0.00 -0.02 0.00 0.00 35.03 34.16 1xb4 n LYS 41 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xb4 n LYS 42 N 0.20 -4.37 -3.95 1.97 4.76 0.42 -4.98 118.16 112.22 1xb4 n LYS 42 Ca 0.13 0.52 -0.28 0.00 -2.87 0.00 0.00 58.31 55.81 1xb4 n LYS 42 Cb 0.26 -5.05 -0.04 0.00 -1.84 0.00 0.00 35.03 28.37 1xb4 n LYS 42 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1xb4 s ILE 43 N -3.63 5.26 0.00 -0.18 1.01 0.94 -4.98 121.20 119.62 1xb4 s ILE 43 Ca 0.25 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.28 1xb4 s ILE 43 Cb -0.13 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1xb4 s ILE 43 CO 0.85 -0.01 0.00 0.79 0.00 0.00 0.00 174.94 176.57 1xb4 n TRP 44 N -0.23 0.00 -4.22 3.97 7.02 -1.26 -4.58 117.44 118.14 1xb4 n TRP 44 Ca -0.06 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.08 1xb4 n TRP 44 Cb 0.53 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.34 1xb4 n TRP 44 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 1xb4 s TYR 45 N -1.84 3.19 -0.03 -5.99 2.02 -1.25 -0.70 117.35 112.74 1xb4 s TYR 45 Ca 0.00 0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.87 1xb4 s TYR 45 Cb 0.00 -1.73 0.03 0.00 -0.40 0.00 0.00 41.96 39.86 1xb4 s TYR 45 CO 0.00 0.51 0.01 -1.64 -1.57 0.00 0.00 175.55 172.85 1xb4 s MET 46 N -1.47 0.30 0.43 -0.62 -1.94 0.13 -2.86 119.30 113.27 1xb4 s MET 46 Ca 0.19 0.10 -0.22 0.00 -1.71 0.00 0.00 55.69 54.06 1xb4 s MET 46 Cb -0.12 -0.53 -0.10 0.00 2.01 0.00 0.00 34.83 36.09 1xb4 s MET 46 CO 0.10 -0.17 0.97 -1.54 -0.01 0.00 0.00 175.02 174.37 1xb4 s SER 47 N 1.21 6.85 0.54 3.03 1.04 0.35 0.13 113.70 126.84 1xb4 s SER 47 Ca -0.07 1.78 0.35 0.00 0.48 0.00 0.00 55.95 58.49 1xb4 s SER 47 Cb -0.13 -2.55 1.53 0.00 0.10 0.00 0.00 66.02 64.96 1xb4 s SER 47 CO -0.02 -0.43 1.82 -0.37 0.98 0.00 0.00 173.24 175.22 1xb4 h VAL 48 N 1.93 0.43 -0.01 5.02 -1.51 -1.85 0.74 116.25 121.01 1xb4 h VAL 48 Ca -0.49 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1xb4 h VAL 48 Cb 1.19 0.42 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 1xb4 h VAL 48 CO 0.61 0.00 -0.01 -0.90 -1.23 0.00 0.00 177.57 176.05 1xb4 n ASP 49 N -4.21 0.64 0.00 4.19 3.85 -1.26 -4.86 116.55 114.90 1xb4 n ASP 49 Ca 0.24 -1.18 0.00 0.00 -0.71 0.00 0.00 54.79 53.14 1xb4 n ASP 49 Cb 1.19 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.95 1xb4 n ASP 49 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xb4 n GLY 50 N 1.09 0.47 3.77 6.12 0.00 0.26 -4.72 105.19 112.17 1xb4 n GLY 50 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 1xb4 n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xb4 s THR 51 N -2.00 2.28 -0.16 2.61 2.01 -1.24 -2.01 115.64 117.13 1xb4 s THR 51 Ca 0.00 0.25 -0.07 0.00 0.31 0.00 0.00 61.69 62.18 1xb4 s THR 51 Cb 0.00 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1xb4 s THR 51 CO 0.00 0.04 0.09 0.68 -0.69 0.00 0.00 174.62 174.74 1xb4 s VAL 52 N -1.22 5.05 -0.03 3.82 -7.23 0.10 -0.49 120.40 120.39 1xb4 s VAL 52 Ca 0.59 0.05 -0.07 0.00 -1.81 0.00 0.00 61.98 60.74 1xb4 s VAL 52 Cb -0.42 -3.25 -0.05 0.00 0.56 0.00 0.00 36.38 33.23 1xb4 s VAL 52 CO 0.53 0.51 0.24 -0.63 -0.31 0.00 0.00 175.10 175.44 1xb4 s ILE 53 N -0.07 5.35 -0.30 -0.62 -1.09 -1.13 -4.88 121.20 118.46 1xb4 s ILE 53 Ca 0.08 0.22 -0.05 0.00 -2.23 0.00 0.00 60.65 58.67 1xb4 s ILE 53 Cb -0.12 -3.53 0.02 0.00 -1.58 0.00 0.00 42.46 37.25 1xb4 s ILE 53 CO 0.01 0.46 0.05 0.20 -1.23 0.00 0.00 174.94 174.42 1xb4 s ASN 54 N -1.46 4.98 0.00 3.58 0.01 -1.26 -4.56 114.94 116.22 1xb4 s ASN 54 Ca 0.23 -0.90 0.00 0.00 -0.71 0.00 0.00 52.86 51.48 1xb4 s ASN 54 Cb -0.13 -1.82 0.00 0.00 0.41 0.00 0.00 41.25 39.71 1xb4 s ASN 54 CO 0.12 -0.22 0.00 -0.90 -1.51 0.00 0.00 177.10 174.60 1xb4 n ASP 55 N 4.79 0.00 0.00 -1.22 5.75 -1.26 -5.18 116.55 119.43 1xb4 n ASP 55 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.64 1xb4 n ASP 55 Cb 0.47 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 1xb4 n ASP 55 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1xb4 n LYS 73 N -0.12 0.00 -4.05 0.11 0.00 -1.26 -5.15 118.16 107.68 1xb4 n LYS 73 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.09 1xb4 n LYS 73 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 35.03 34.86 1xb4 n LYS 73 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1xb4 s ASN 74 N 0.00 1.32 0.03 -5.58 3.84 -1.26 0.00 114.94 113.29 1xb4 s ASN 74 Ca 0.00 -0.15 0.28 0.00 0.21 0.00 0.00 52.86 53.21 1xb4 s ASN 74 Cb 0.00 -0.52 1.14 0.00 -0.55 0.00 0.00 41.25 41.32 1xb4 s ASN 74 CO 0.00 -0.09 1.88 -0.11 -2.79 0.00 0.00 177.10 175.99 1xb4 n LEU 75 N 4.44 0.15 -0.47 3.21 7.94 -0.85 -3.46 117.00 127.96 1xb4 n LEU 75 Ca -0.18 0.49 0.08 0.00 -1.11 0.00 0.00 56.01 55.29 1xb4 n LEU 75 Cb 0.51 -0.46 0.02 0.00 0.53 0.00 0.00 43.42 44.02 1xb4 n LEU 75 CO 0.19 -0.02 0.35 0.49 -1.11 0.00 0.00 177.39 177.28 1xb4 n PHE 76 N -1.62 0.00 -3.87 1.96 0.99 -1.26 -4.77 117.46 108.88 1xb4 n PHE 76 Ca 0.07 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.17 1xb4 n PHE 76 Cb 0.35 0.00 -0.13 0.00 -1.00 0.00 0.00 39.48 38.70 1xb4 n PHE 76 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 1xb4 s ASN 77 N -1.72 5.05 -0.61 4.37 3.84 -1.22 -1.94 114.94 122.71 1xb4 s ASN 77 Ca 0.15 -2.01 -0.22 0.00 0.21 0.00 0.00 52.86 50.99 1xb4 s ASN 77 Cb 0.13 -1.75 0.07 0.00 -0.55 0.00 0.00 41.25 39.15 1xb4 s ASN 77 CO 0.34 -0.46 0.88 0.21 -2.79 0.00 0.00 177.10 175.27 1xb4 s ASN 78 N 1.46 6.21 0.08 -4.21 3.84 0.13 -4.79 114.94 117.65 1xb4 s ASN 78 Ca 0.08 -0.94 -0.28 0.00 0.21 0.00 0.00 52.86 51.94 1xb4 s ASN 78 Cb -0.21 -2.39 -0.17 0.00 -0.55 0.00 0.00 41.25 37.93 1xb4 s ASN 78 CO -0.05 -1.28 1.66 -0.33 -2.79 0.00 0.00 177.10 174.30 1xb4 h GLU 79 N 9.39 -0.44 -0.96 0.43 4.39 -1.92 0.14 114.58 125.60 1xb4 h GLU 79 Ca -0.28 0.03 0.13 0.00 0.34 0.00 0.00 59.36 59.58 1xb4 h GLU 79 Cb 1.08 0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 29.75 1xb4 h GLU 79 CO 1.13 -0.28 0.61 -0.44 -1.16 0.00 0.00 179.01 178.86 1xb4 h ASP 80 N -0.47 0.82 0.48 1.42 3.45 -1.96 -1.28 116.42 118.87 1xb4 h ASP 80 Ca -0.05 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1xb4 h ASP 80 Cb 0.36 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 1xb4 h ASP 80 CO 0.08 0.42 -0.61 -0.38 -1.57 0.00 0.00 179.24 177.17 1xb4 n ILE 81 N -4.60 0.05 -3.50 0.35 2.08 -1.15 -4.98 119.36 107.61 1xb4 n ILE 81 Ca 0.19 -0.05 -0.21 0.00 0.56 0.00 0.00 62.75 63.23 1xb4 n ILE 81 Cb 0.41 0.28 0.06 0.00 -0.75 0.00 0.00 39.64 39.64 1xb4 n ILE 81 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1xb4 n GLN 82 N -1.60 -3.13 -3.75 0.38 6.02 0.42 -5.00 117.38 110.71 1xb4 n GLN 82 Ca 0.05 0.69 -0.13 0.00 -0.01 0.00 0.00 57.00 57.60 1xb4 n GLN 82 Cb 0.35 -5.21 -0.08 0.00 1.02 0.00 0.00 30.24 26.32 1xb4 n GLN 82 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1xb4 s ARG 83 N -5.32 0.69 -0.14 -1.09 1.81 -0.90 -5.04 118.95 108.96 1xb4 s ARG 83 Ca 0.30 -0.20 -0.11 0.00 -1.72 0.00 0.00 55.73 54.00 1xb4 s ARG 83 Cb -0.07 0.31 0.04 0.00 -0.45 0.00 0.00 34.95 34.78 1xb4 s ARG 83 CO 0.79 -0.19 0.35 -1.12 -0.68 0.00 0.00 175.30 174.44 1xb4 s SER 84 N -1.37 -0.38 0.09 0.23 0.01 -1.26 -0.70 113.70 110.31 1xb4 s SER 84 Ca -0.13 0.72 -0.30 0.00 1.31 0.00 0.00 55.95 57.54 1xb4 s SER 84 Cb -0.05 0.69 -0.06 0.00 0.21 0.00 0.00 66.02 66.81 1xb4 s SER 84 CO 0.04 -0.14 1.19 -0.69 0.41 0.00 0.00 173.24 174.05 1xb4 s VAL 85 N 0.57 3.95 0.46 3.43 1.01 -0.82 -4.92 120.40 124.08 1xb4 s VAL 85 Ca -0.03 1.44 -0.25 0.00 0.00 0.00 0.00 61.98 63.15 1xb4 s VAL 85 Cb -0.05 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.33 1xb4 s VAL 85 CO -0.03 0.14 1.38 -0.94 0.00 0.00 0.00 175.10 175.65 1xb4 s SER 86 N 0.86 5.84 0.31 3.32 1.04 -1.26 -4.76 113.70 119.05 1xb4 s SER 86 Ca 0.57 2.82 0.04 0.00 0.48 0.00 0.00 55.95 59.86 1xb4 s SER 86 Cb -0.30 -2.65 0.64 0.00 0.10 0.00 0.00 66.02 63.82 1xb4 s SER 86 CO 0.30 -1.19 1.85 -0.61 0.98 0.00 0.00 173.24 174.58 1xb4 h GLN 87 N 2.21 0.87 -0.35 4.02 5.75 -1.98 0.07 115.11 125.70 1xb4 h GLN 87 Ca -0.51 -0.05 0.08 0.00 -0.15 0.00 0.00 58.65 58.02 1xb4 h GLN 87 Cb 1.27 -0.20 -0.08 0.00 1.07 0.00 0.00 27.48 29.54 1xb4 h GLN 87 CO 0.61 0.57 -0.20 0.28 -2.65 0.00 0.00 178.83 177.44 1xb4 h VAL 88 N 0.89 0.43 0.56 2.39 2.07 -2.00 0.63 116.25 121.23 1xb4 h VAL 88 Ca 0.47 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.96 1xb4 h VAL 88 Cb 0.54 0.43 0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1xb4 h VAL 88 CO -0.24 0.00 -0.27 0.15 0.02 0.00 0.00 177.57 177.23 1xb4 h PHE 89 N -0.14 -0.70 -0.93 1.57 -0.00 -1.52 -2.80 116.94 112.42 1xb4 h PHE 89 Ca 0.18 -0.02 0.26 0.00 -0.00 0.00 0.00 57.97 58.39 1xb4 h PHE 89 Cb 0.42 0.23 -0.17 0.00 -0.00 0.00 0.00 35.95 36.43 1xb4 h PHE 89 CO -0.41 -0.37 0.02 -0.89 -0.00 0.00 0.00 178.31 176.65 1xb4 n ILE 90 N -5.34 -0.39 -0.33 1.41 5.41 -0.13 0.19 119.36 120.17 1xb4 n ILE 90 Ca -0.12 2.05 -0.04 0.00 1.00 0.00 0.00 62.75 65.64 1xb4 n ILE 90 Cb 0.33 -2.99 0.08 0.00 -0.71 0.00 0.00 39.64 36.36 1xb4 n ILE 90 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1xb4 h ASP 91 N 0.00 1.04 -0.72 4.38 3.32 -0.72 0.13 116.42 123.86 1xb4 h ASP 91 Ca 0.56 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.55 1xb4 h ASP 91 Cb 1.16 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.41 1xb4 h ASP 91 CO -0.88 0.79 0.42 -0.33 -1.72 0.00 0.00 179.24 177.53 1xb4 h GLU 92 N 1.20 0.98 0.04 3.56 5.08 0.23 -1.97 114.58 123.69 1xb4 h GLU 92 Ca 0.32 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.60 1xb4 h GLU 92 Cb -0.07 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 28.95 1xb4 h GLU 92 CO -0.06 0.70 -0.16 0.82 -1.00 0.00 0.00 179.01 179.31 1xb4 h ILE 93 N 0.98 0.63 0.46 3.13 1.08 0.10 -1.59 117.51 122.30 1xb4 h ILE 93 Ca 0.26 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.71 1xb4 h ILE 93 Cb -0.02 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 34.35 1xb4 h ILE 93 CO -0.05 0.00 -0.30 -0.50 -0.69 0.00 0.00 178.15 176.62 1xb4 h TRP 94 N -0.28 -0.78 -0.28 1.37 -0.00 -0.49 0.21 115.95 115.69 1xb4 h TRP 94 Ca 0.04 -0.01 0.07 0.00 -0.00 0.00 0.00 58.89 58.99 1xb4 h TRP 94 Cb 0.32 0.28 -0.08 0.00 -0.00 0.00 0.00 29.16 29.69 1xb4 h TRP 94 CO -0.19 -0.45 -0.26 0.66 -0.00 0.00 0.00 178.44 178.20 1xb4 h SER 95 N -0.73 -0.84 -0.47 -3.49 4.64 -1.33 1.15 113.55 112.48 1xb4 h SER 95 Ca -0.05 0.15 0.09 0.00 -0.47 0.00 0.00 61.79 61.52 1xb4 h SER 95 Cb 0.60 0.40 -0.09 0.00 -0.31 0.00 0.00 62.40 63.00 1xb4 h SER 95 CO 0.05 -0.29 -0.13 -0.61 -0.87 0.00 0.00 176.83 174.97 1xb4 h GLN 96 N -0.25 -0.02 -0.24 4.77 5.75 -1.13 1.18 115.11 125.17 1xb4 h GLN 96 Ca 0.15 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.62 1xb4 h GLN 96 Cb 0.48 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 1xb4 h GLN 96 CO -0.43 -0.01 -0.01 1.98 -2.65 0.00 0.00 178.83 177.71 1xb4 h MET 97 N -0.02 0.35 -0.10 1.69 4.05 0.94 -1.46 114.93 120.38 1xb4 h MET 97 Ca 0.23 -0.06 -0.16 0.00 -0.28 0.00 0.00 59.70 59.43 1xb4 h MET 97 Cb 0.36 -0.06 0.01 0.00 -0.80 0.00 0.00 31.60 31.11 1xb4 h MET 97 CO -0.49 0.38 -0.55 1.15 0.23 0.00 0.00 176.91 177.63 1xb4 h THR 98 N 0.34 1.36 -0.78 -0.77 2.02 0.52 -0.68 112.91 114.93 1xb4 h THR 98 Ca 0.08 -1.87 0.09 0.00 0.77 0.00 0.00 66.41 65.48 1xb4 h THR 98 Cb 0.24 2.22 -0.07 0.00 -1.74 0.00 0.00 68.15 68.80 1xb4 h THR 98 CO 0.01 0.56 0.43 0.50 0.37 0.00 0.00 175.52 177.39 1xb4 h LYS 99 N 0.15 0.71 0.00 6.66 3.64 0.17 -0.58 116.57 127.32 1xb4 h LYS 99 Ca -0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1xb4 h LYS 99 Cb 1.20 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1xb4 h LYS 99 CO 0.11 0.47 0.00 0.39 -2.27 0.00 0.00 179.45 178.15 1xb4 n GLU 100 N -4.78 0.10 -1.00 1.90 1.02 -0.60 -4.91 120.64 112.38 1xb4 n GLU 100 Ca 0.12 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 1xb4 n GLU 100 Cb 0.26 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1xb4 n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xb4 n GLY 101 N 0.69 0.55 0.17 0.62 0.00 -0.23 -4.90 105.19 102.09 1xb4 n GLY 101 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1xb4 n GLY 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xb4 h LYS 102 N 1.22 0.00 -4.33 1.61 1.79 -1.40 -3.46 116.57 112.01 1xb4 h LYS 102 Ca 0.00 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.29 1xb4 h LYS 102 Cb 0.02 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.53 1xb4 h LYS 102 CO 0.00 0.00 -0.53 0.00 -1.08 0.00 0.00 179.45 177.84 1xb4 s LEU 104 N -3.08 0.91 -0.11 0.00 2.96 0.04 -4.66 118.68 114.74 1xb4 s LEU 104 Ca 0.29 -0.19 -0.29 0.00 -0.22 0.00 0.00 54.13 53.72 1xb4 s LEU 104 Cb 0.06 -0.63 -0.03 0.00 0.50 0.00 0.00 46.19 46.09 1xb4 s LEU 104 CO 0.06 -0.15 1.38 -2.84 -1.32 0.00 0.00 176.35 173.49 1xb4 s PRO 105 N 1.78 4.23 0.05 0.98 0.02 -1.26 -1.49 135.00 139.31 1xb4 s PRO 105 Ca 0.04 1.84 0.03 0.00 0.02 0.00 0.00 61.00 62.93 1xb4 s PRO 105 Cb -0.13 -3.79 -0.03 0.00 0.02 0.00 0.00 34.50 30.57 1xb4 s PRO 105 CO -0.06 -0.72 -0.10 0.96 -0.33 0.00 0.00 177.00 176.76 1xb4 s ILE 106 N 3.46 0.72 0.00 2.83 -4.36 -0.74 -0.85 121.20 122.26 1xb4 s ILE 106 Ca 0.61 -1.20 0.00 0.00 -0.26 0.00 0.00 60.65 59.80 1xb4 s ILE 106 Cb -0.26 -0.81 0.00 0.00 1.25 0.00 0.00 42.46 42.64 1xb4 s ILE 106 CO 0.20 -0.36 0.00 -0.90 0.24 0.00 0.00 174.94 174.12 1xb4 n ASP 107 N 1.32 0.00 -0.42 4.36 5.68 -0.85 -1.52 116.55 125.12 1xb4 n ASP 107 Ca -0.22 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.07 1xb4 n ASP 107 Cb 0.55 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 1xb4 n ASP 107 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xb4 n GLN 108 N 0.00 0.64 0.00 0.11 10.64 -1.26 -4.51 117.38 123.00 1xb4 n GLN 108 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1xb4 n GLN 108 Cb 0.00 -1.27 0.00 0.00 -0.86 0.00 0.00 30.24 28.11 1xb4 n GLN 108 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1xb4 n SER 109 N 0.07 0.00 -4.94 2.61 3.41 -1.26 -5.18 113.62 108.34 1xb4 n SER 109 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.41 1xb4 n SER 109 Cb 0.13 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.14 1xb4 n SER 109 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1xb4 s GLY 110 N 0.00 1.79 -0.61 5.00 0.00 -1.26 -4.94 107.32 107.30 1xb4 s GLY 110 Ca 0.00 -1.86 -0.31 0.00 0.00 0.00 0.00 44.72 42.54 1xb4 s GLY 110 CO 0.00 -1.45 2.42 -2.13 0.00 0.00 0.00 173.10 171.94 1xb4 n ARG 111 N -2.32 0.66 -3.67 2.90 0.63 -1.26 -2.00 116.66 111.61 1xb4 n ARG 111 Ca 0.13 0.09 -0.08 0.00 -0.92 0.00 0.00 57.85 57.07 1xb4 n ARG 111 Cb 0.61 -2.40 -0.09 0.00 0.45 0.00 0.00 32.46 31.02 1xb4 n ARG 111 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1xb4 s ARG 112 N 7.75 0.39 -0.25 -0.14 1.81 -0.03 -4.91 118.95 123.56 1xb4 s ARG 112 Ca 1.15 1.02 0.15 0.00 -1.72 0.00 0.00 55.73 56.33 1xb4 s ARG 112 Cb -0.81 0.27 0.47 0.00 -0.45 0.00 0.00 34.95 34.43 1xb4 s ARG 112 CO 0.43 -0.22 1.16 -1.13 -0.68 0.00 0.00 175.30 174.86 1xb4 n SER 113 N 5.02 3.09 -3.63 0.23 3.41 -1.26 -3.57 113.62 116.91 1xb4 n SER 113 Ca -0.14 -2.98 -0.41 0.00 -0.26 0.00 0.00 58.87 55.08 1xb4 n SER 113 Cb 0.52 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 1xb4 n SER 113 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xb4 n THR 116 N -0.62 2.73 -2.26 6.66 -2.24 -1.26 -4.48 114.28 112.82 1xb4 n THR 116 Ca 0.25 -2.28 -0.03 0.00 -2.27 0.00 0.00 64.05 59.72 1xb4 n THR 116 Cb 0.89 -2.46 0.00 0.00 -2.10 0.00 0.00 70.33 66.67 1xb4 n THR 116 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1xb4 n THR 117 N 5.36 -6.75 -2.82 4.28 -1.04 -1.26 -4.90 114.28 107.15 1xb4 n THR 117 Ca 0.52 0.35 -0.42 0.00 -2.04 0.00 0.00 64.05 62.46 1xb4 n THR 117 Cb 0.37 -5.71 -0.03 0.00 -1.82 0.00 0.00 70.33 63.14 1xb4 n THR 117 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1xb4 s THR 118 N -2.12 4.80 -0.14 12.58 -1.32 -1.25 -4.38 115.64 123.83 1xb4 s THR 118 Ca 0.11 1.74 0.10 0.00 -1.21 0.00 0.00 61.69 62.43 1xb4 s THR 118 Cb -0.03 -4.19 -0.23 0.00 -1.51 0.00 0.00 72.50 66.54 1xb4 s THR 118 CO 0.42 -0.07 0.29 1.07 -2.21 0.00 0.00 174.62 174.11 1xb4 n THR 119 N 5.09 1.54 -4.08 5.08 5.66 -0.58 -4.92 114.28 122.08 1xb4 n THR 119 Ca 0.07 -0.77 -0.13 0.00 -3.05 0.00 0.00 64.05 60.18 1xb4 n THR 119 Cb 0.48 -0.99 -0.05 0.00 -1.55 0.00 0.00 70.33 68.21 1xb4 n THR 119 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xb4 s ARG 120 N -2.54 1.72 0.06 1.09 1.70 -0.87 -2.73 118.95 117.38 1xb4 s ARG 120 Ca -0.13 -1.60 0.08 0.00 -0.47 0.00 0.00 55.73 53.60 1xb4 s ARG 120 Cb 0.07 0.43 -0.03 0.00 -0.57 0.00 0.00 34.95 34.85 1xb4 s ARG 120 CO 0.79 -0.70 -0.21 0.71 -1.08 0.00 0.00 175.30 174.81 1xb4 s TYR 121 N -3.46 1.81 -0.39 5.89 1.51 0.35 -1.80 117.35 121.27 1xb4 s TYR 121 Ca 0.29 -0.39 -0.15 0.00 -1.01 0.00 0.00 57.07 55.82 1xb4 s TYR 121 Cb 0.00 -1.05 0.01 0.00 -0.11 0.00 0.00 41.96 40.81 1xb4 s TYR 121 CO 0.16 0.13 0.32 0.12 -1.11 0.00 0.00 175.55 175.17 1xb4 s PHE 122 N -0.90 3.22 -0.13 2.71 5.99 -0.56 -0.70 117.98 127.62 1xb4 s PHE 122 Ca 0.07 -0.41 -0.29 0.00 0.00 0.00 0.00 56.93 56.30 1xb4 s PHE 122 Cb -0.09 -2.63 -0.01 0.00 0.00 0.00 0.00 43.02 40.28 1xb4 s PHE 122 CO 0.02 -0.55 1.05 0.42 -0.00 0.00 0.00 175.22 176.17 1xb4 s ILE 123 N 1.81 4.67 -1.03 3.12 -1.09 0.13 -0.78 121.20 128.02 1xb4 s ILE 123 Ca 0.07 1.96 -0.07 0.00 -2.23 0.00 0.00 60.65 60.38 1xb4 s ILE 123 Cb -0.18 -4.26 0.26 0.00 -1.58 0.00 0.00 42.46 36.70 1xb4 s ILE 123 CO 0.11 -0.04 0.99 -0.76 -1.23 0.00 0.00 174.94 174.01 1xb4 s LEU 124 N 2.36 6.08 0.11 2.97 1.02 0.37 -4.76 118.68 126.83 1xb4 s LEU 124 Ca 0.49 -3.63 0.25 0.00 0.02 0.00 0.00 54.13 51.26 1xb4 s LEU 124 Cb -0.19 -2.11 0.97 0.00 0.02 0.00 0.00 46.19 44.89 1xb4 s LEU 124 CO 0.16 -0.26 1.78 -2.67 0.02 0.00 0.00 176.35 175.38 1xb4 n TRP 125 N 2.59 0.43 -4.15 0.29 4.27 -1.26 -4.50 117.44 115.11 1xb4 n TRP 125 Ca 0.23 0.14 -0.21 0.00 -3.89 0.00 0.00 57.50 53.76 1xb4 n TRP 125 Cb 0.39 -0.72 -0.17 0.00 -1.36 0.00 0.00 31.31 29.45 1xb4 n TRP 125 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 1xb4 s LYS 126 N -3.08 0.97 0.94 -2.67 2.20 -1.26 -5.11 119.74 111.73 1xb4 s LYS 126 Ca 0.11 -0.13 -0.14 0.00 -0.36 0.00 0.00 55.97 55.45 1xb4 s LYS 126 Cb 0.14 -0.99 -0.01 0.00 -1.51 0.00 0.00 37.83 35.47 1xb4 s LYS 126 CO 0.50 -0.11 0.18 0.45 -0.36 0.00 0.00 175.35 176.01 1xb4 n SER 127 N 4.22 -2.80 -0.04 1.43 2.88 -1.26 -4.61 113.62 113.43 1xb4 n SER 127 Ca -0.21 0.32 -0.12 0.00 -1.33 0.00 0.00 58.87 57.52 1xb4 n SER 127 Cb 0.51 -1.12 -0.07 0.00 -0.75 0.00 0.00 64.21 62.78 1xb4 n SER 127 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1xb4 h LEU 128 N -1.35 0.24 -0.83 2.46 3.38 -1.93 0.31 115.31 117.59 1xb4 h LEU 128 Ca -0.44 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 57.20 1xb4 h LEU 128 Cb 1.29 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.91 1xb4 h LEU 128 CO 0.33 0.59 0.50 0.44 0.09 0.00 0.00 178.44 180.38 1xb4 h ASP 129 N -0.11 0.76 -0.28 -0.43 3.45 -1.90 0.46 116.42 118.38 1xb4 h ASP 129 Ca 0.03 0.03 0.02 0.00 0.43 0.00 0.00 57.03 57.53 1xb4 h ASP 129 Cb 0.49 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.11 1xb4 h ASP 129 CO 0.02 0.47 0.13 -1.28 -1.57 0.00 0.00 179.24 177.01 1xb4 h SER 130 N 0.89 0.19 -0.47 6.45 0.87 -1.76 -0.12 113.55 119.60 1xb4 h SER 130 Ca 0.37 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.95 1xb4 h SER 130 Cb 0.23 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1xb4 h SER 130 CO -0.19 0.14 0.29 -0.50 -0.53 0.00 0.00 176.83 176.03 1xb4 h TRP 131 N 0.28 0.62 -0.60 2.24 4.06 0.67 -1.95 115.95 121.26 1xb4 h TRP 131 Ca 0.12 -0.00 0.11 0.00 2.06 0.00 0.00 58.89 61.18 1xb4 h TRP 131 Cb 0.05 -0.20 -0.12 0.00 -1.00 0.00 0.00 29.16 27.89 1xb4 h TRP 131 CO -0.10 0.43 -0.31 0.00 -3.56 0.00 0.00 178.44 174.89 1xb4 h ALA 132 N 1.14 0.03 0.70 1.49 0.00 0.90 0.72 119.26 124.23 1xb4 h ALA 132 Ca 0.17 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1xb4 h ALA 132 Cb -0.01 0.74 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1xb4 h ALA 132 CO -0.03 -0.64 -0.42 0.77 0.00 0.00 0.00 179.25 178.92 1xb4 h SER 133 N -0.14 -1.07 -1.01 0.00 0.02 -0.61 0.20 113.55 110.95 1xb4 h SER 133 Ca 0.25 0.06 0.24 0.00 -0.84 0.00 0.00 61.79 61.49 1xb4 h SER 133 Cb 0.54 0.31 -0.10 0.00 0.14 0.00 0.00 62.40 63.29 1xb4 h SER 133 CO -0.68 -0.66 0.63 0.25 -1.14 0.00 0.00 176.83 175.23 1xb4 h LEU 134 N -1.06 0.57 0.20 5.07 5.85 -0.59 1.37 115.31 126.72 1xb4 h LEU 134 Ca -0.09 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1xb4 h LEU 134 Cb 0.85 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1xb4 h LEU 134 CO 0.10 0.15 -0.10 0.40 -0.34 0.00 0.00 178.44 178.64 1xb4 h ILE 135 N 0.52 0.74 -0.83 4.05 2.04 -0.49 -2.04 117.51 121.50 1xb4 h ILE 135 Ca 0.59 -1.01 0.21 0.00 1.00 0.00 0.00 64.86 65.64 1xb4 h ILE 135 Cb 1.27 1.22 -0.14 0.00 -0.74 0.00 0.00 36.82 38.42 1xb4 h ILE 135 CO -0.34 0.18 0.07 0.25 0.00 0.00 0.00 178.15 178.32 1xb4 h LEU 136 N -0.88 -0.27 -0.11 1.44 5.85 0.17 0.17 115.31 121.68 1xb4 h LEU 136 Ca -0.03 0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.92 1xb4 h LEU 136 Cb 0.51 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 1xb4 h LEU 136 CO 0.05 -0.20 -0.27 -0.61 -0.34 0.00 0.00 178.44 177.07 1xb4 h GLN 137 N 0.12 -0.25 -0.87 1.25 -0.00 0.18 -1.81 115.11 113.73 1xb4 h GLN 137 Ca 0.48 0.02 0.13 0.00 -0.00 0.00 0.00 58.65 59.28 1xb4 h GLN 137 Cb 0.91 0.06 -0.14 0.00 0.00 0.00 0.00 27.48 28.31 1xb4 h GLN 137 CO -0.71 -0.17 -0.36 1.87 0.00 0.00 0.00 178.83 179.47 1xb4 n TRP 138 N -3.98 -0.03 -0.24 3.99 -0.00 0.55 0.06 117.44 117.81 1xb4 n TRP 138 Ca -0.03 1.08 0.03 0.00 -0.00 0.00 0.00 57.50 58.58 1xb4 n TRP 138 Cb 0.18 -0.79 0.13 0.00 -0.00 0.00 0.00 31.31 30.83 1xb4 n TRP 138 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 1xb4 h PHE 139 N 0.00 -0.07 -0.03 5.87 0.04 -0.75 -0.70 116.94 121.30 1xb4 h PHE 139 Ca 0.28 0.05 -0.04 0.00 2.80 0.00 0.00 57.97 61.07 1xb4 h PHE 139 Cb 0.50 0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.79 1xb4 h PHE 139 CO -0.78 -0.22 -0.14 0.93 -0.60 0.00 0.00 178.31 177.50 1xb4 h GLU 140 N 0.10 0.14 -0.08 1.51 5.08 0.08 -2.10 114.58 119.31 1xb4 h GLU 140 Ca 0.37 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1xb4 h GLU 140 Cb 0.63 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1xb4 h GLU 140 CO -0.62 0.78 0.00 -0.25 -1.00 0.00 0.00 179.01 177.92 1xb4 n ASP 141 N -4.62 0.08 -0.23 1.42 9.92 0.62 -0.60 116.55 123.14 1xb4 n ASP 141 Ca -0.09 -0.61 0.00 0.00 -0.53 0.00 0.00 54.79 53.56 1xb4 n ASP 141 Cb 0.41 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.85 1xb4 n ASP 141 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1xb4 n SER 142 N -0.29 0.00 0.00 -2.24 7.64 -0.33 -4.98 113.62 113.43 1xb4 n SER 142 Ca 0.00 -1.36 0.00 0.00 1.01 0.00 0.00 58.87 58.52 1xb4 n SER 142 Cb 0.02 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1xb4 n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xb4 n GLY 143 N 0.00 0.04 0.00 0.23 0.00 0.23 -4.70 105.19 100.99 1xb4 n GLY 143 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xb4 n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xb4 n LYS 144 N -0.95 0.00 0.00 1.61 5.02 -0.84 -4.17 118.16 118.83 1xb4 n LYS 144 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xb4 n LYS 144 Cb 0.00 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1xb4 n LYS 144 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1xb4 n LEU 145 N -0.50 0.00 0.00 -0.35 7.94 -1.02 -1.67 117.00 121.41 1xb4 n LEU 145 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1xb4 n LEU 145 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1xb4 n LEU 145 CO 0.00 0.00 -0.01 -3.20 -1.11 0.00 0.00 177.39 173.07 1xb4 n ASN 146 N -0.20 0.09 -2.74 1.96 5.15 -1.21 -4.56 115.26 113.74 1xb4 n ASN 146 Ca 0.00 -0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.88 1xb4 n ASN 146 Cb 0.00 0.02 0.07 0.00 -0.53 0.00 0.00 39.78 39.35 1xb4 n ASN 146 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xb4 n GLN 147 N -0.03 -1.18 -3.92 1.20 6.02 -0.67 -4.75 117.38 114.05 1xb4 n GLN 147 Ca 0.00 -0.59 -0.31 0.00 -0.01 0.00 0.00 57.00 56.09 1xb4 n GLN 147 Cb 0.00 -0.48 -0.15 0.00 1.02 0.00 0.00 30.24 30.63 1xb4 n GLN 147 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1xb4 s VAL 148 N -1.74 1.76 0.04 5.09 1.01 -1.26 -4.08 120.40 121.20 1xb4 s VAL 148 Ca 0.23 -1.96 0.05 0.00 0.00 0.00 0.00 61.98 60.30 1xb4 s VAL 148 Cb -0.02 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1xb4 s VAL 148 CO 0.17 -0.60 -0.09 -0.51 0.00 0.00 0.00 175.10 174.07 1xb4 s ILE 149 N 1.17 3.46 0.71 2.22 2.07 -0.91 -4.87 121.20 125.06 1xb4 s ILE 149 Ca 0.10 -0.96 -0.11 0.00 -1.41 0.00 0.00 60.65 58.26 1xb4 s ILE 149 Cb -0.18 -2.53 0.02 0.00 0.13 0.00 0.00 42.46 39.89 1xb4 s ILE 149 CO -0.14 0.31 1.10 0.42 -1.91 0.00 0.00 174.94 174.72 1xb4 s THR 150 N -1.05 3.43 0.22 4.00 -4.23 -1.26 -1.14 115.64 115.61 1xb4 s THR 150 Ca 0.18 0.46 0.03 0.00 -1.18 0.00 0.00 61.69 61.19 1xb4 s THR 150 Cb -0.11 -3.44 -0.07 0.00 1.34 0.00 0.00 72.50 70.22 1xb4 s THR 150 CO 0.09 -0.61 1.51 -0.07 -0.54 0.00 0.00 174.62 175.00 1xb4 h LEU 151 N -0.69 0.30 0.18 4.79 3.38 -1.46 -2.17 115.31 119.64 1xb4 h LEU 151 Ca -0.45 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.33 1xb4 h LEU 151 Cb 1.26 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1xb4 h LEU 151 CO 0.64 0.88 -0.09 0.22 0.09 0.00 0.00 178.44 180.17 1xb4 h TYR 152 N 0.18 -0.23 0.00 1.13 5.03 -1.94 -0.55 116.97 120.59 1xb4 h TYR 152 Ca -0.02 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.29 1xb4 h TYR 152 Cb 1.20 0.08 -0.00 0.00 1.55 0.00 0.00 36.73 39.56 1xb4 h TYR 152 CO 0.03 -0.14 -0.02 1.49 -1.32 0.00 0.00 178.16 178.20 1xb4 h GLU 153 N -0.26 0.00 0.00 1.82 4.81 -1.92 -2.20 114.58 116.84 1xb4 h GLU 153 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1xb4 h GLU 153 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1xb4 h GLU 153 CO 0.04 0.02 0.00 1.25 -0.73 0.00 0.00 179.01 179.59 1xb4 h LEU 154 N 0.00 0.00 -2.94 1.64 5.85 -0.42 2.10 115.31 121.53 1xb4 h LEU 154 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xb4 h LEU 154 Cb 0.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1xb4 h LEU 154 CO 0.00 0.00 -0.02 -1.54 -0.34 0.00 0.00 178.44 176.55 1xb4 n SER 155 N -2.77 2.14 -3.26 1.25 3.41 -0.83 -4.70 113.62 108.87 1xb4 n SER 155 Ca 0.01 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 1xb4 n SER 155 Cb 0.24 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1xb4 n SER 155 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1xb4 n ASP 158 N -1.10 0.00 0.14 4.04 4.64 0.71 -4.27 116.55 120.71 1xb4 n ASP 158 Ca 0.11 0.00 -0.00 0.00 -1.38 0.00 0.00 54.79 53.51 1xb4 n ASP 158 Cb 0.53 0.00 0.18 0.00 -1.04 0.00 0.00 41.12 40.78 1xb4 n ASP 158 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 1xb4 h GLU 159 N 0.00 0.00 -0.22 -0.67 4.39 -1.98 -3.22 114.58 112.88 1xb4 h GLU 159 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1xb4 h GLU 159 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1xb4 h GLU 159 CO 0.00 0.60 -0.07 1.15 -1.16 0.00 0.00 179.01 179.53 1xb4 h THR 160 N 0.00 1.18 -3.21 1.13 2.02 -1.96 -3.42 112.91 108.65 1xb4 h THR 160 Ca -0.01 -0.74 -0.58 0.00 0.77 0.00 0.00 66.41 65.86 1xb4 h THR 160 Cb 1.11 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 68.56 1xb4 h THR 160 CO 0.08 0.24 -0.14 0.68 0.37 0.00 0.00 175.52 176.75 1xb4 s VAL 161 N -4.85 4.93 -0.02 3.16 -7.23 -1.22 -4.91 120.40 110.26 1xb4 s VAL 161 Ca -0.06 0.77 0.01 0.00 -1.81 0.00 0.00 61.98 60.89 1xb4 s VAL 161 Cb 0.16 -3.72 0.03 0.00 0.56 0.00 0.00 36.38 33.40 1xb4 s VAL 161 CO 0.74 0.34 0.44 -3.20 -0.31 0.00 0.00 175.10 173.11 1xb4 n ASN 162 N 1.08 -0.36 -4.90 4.85 5.15 -1.26 -4.75 115.26 115.07 1xb4 n ASN 162 Ca -0.08 -0.81 -0.21 0.00 -0.60 0.00 0.00 54.58 52.88 1xb4 n ASN 162 Cb 0.52 0.12 0.06 0.00 -0.53 0.00 0.00 39.78 39.95 1xb4 n ASN 162 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1xb4 s TRP 163 N 0.01 2.16 0.40 1.20 0.23 -1.26 -4.91 118.94 116.77 1xb4 s TRP 163 Ca 0.01 -0.30 0.23 0.00 -2.03 0.00 0.00 56.10 54.01 1xb4 s TRP 163 Cb 0.03 -2.66 1.29 0.00 0.03 0.00 0.00 33.47 32.16 1xb4 s TRP 163 CO -0.01 -1.12 1.64 0.93 0.96 0.00 0.00 176.95 179.35 1xb4 h GLU 164 N -0.01 0.17 0.00 4.98 5.08 -2.00 0.46 114.58 123.26 1xb4 h GLU 164 Ca -0.37 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1xb4 h GLU 164 Cb 1.28 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1xb4 h GLU 164 CO 0.45 0.11 0.00 1.97 -1.00 0.00 0.00 179.01 180.54 1xb4 n PHE 165 N -4.86 0.00 -1.69 4.33 1.16 -1.26 -4.85 117.46 110.29 1xb4 n PHE 165 Ca 0.35 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.51 1xb4 n PHE 165 Cb 1.23 -0.08 0.01 0.00 -1.61 0.00 0.00 39.48 39.03 1xb4 n PHE 165 CO 0.00 0.00 0.00 1.58 -1.87 0.00 0.00 176.76 176.47 1xb4 n HIS 166 N -1.08 2.04 -0.95 2.97 -0.00 0.15 -2.00 115.22 116.35 1xb4 n HIS 166 Ca 0.17 0.51 0.00 0.00 0.46 0.00 0.00 57.72 58.86 1xb4 n HIS 166 Cb 0.12 -2.36 0.00 0.00 -0.12 0.00 0.00 29.99 27.62 1xb4 n HIS 166 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1xb4 n ARG 167 N 0.06 -0.57 -2.47 1.57 5.12 -1.26 -4.99 116.66 114.11 1xb4 n ARG 167 Ca 0.07 0.14 -0.41 0.00 -1.93 0.00 0.00 57.85 55.72 1xb4 n ARG 167 Cb 0.39 -3.65 -0.04 0.00 -1.16 0.00 0.00 32.46 28.01 1xb4 n ARG 167 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1xb4 s MET 168 N -0.68 4.58 0.68 5.56 1.75 -0.85 -4.94 119.30 125.40 1xb4 s MET 168 Ca 0.00 1.77 -0.17 0.00 -1.25 0.00 0.00 55.69 56.04 1xb4 s MET 168 Cb 0.00 -3.25 -0.03 0.00 2.84 0.00 0.00 34.83 34.38 1xb4 s MET 168 CO 0.00 0.06 0.71 -2.30 -0.65 0.00 0.00 175.02 172.84 1xb4 n PRO 169 N 2.20 0.47 -0.10 4.11 -0.02 -1.26 -4.74 135.00 135.66 1xb4 n PRO 169 Ca 0.02 0.20 -0.14 0.00 -2.02 0.00 0.00 63.50 61.57 1xb4 n PRO 169 Cb 0.46 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 31.94 1xb4 n PRO 169 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xb4 h GLU 170 N -0.13 0.85 -1.00 -0.52 5.08 -1.93 0.49 114.58 117.42 1xb4 h GLU 170 Ca -0.46 -0.47 0.08 0.00 -1.00 0.00 0.00 59.36 57.51 1xb4 h GLU 170 Cb 1.36 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.56 1xb4 h GLU 170 CO 0.46 1.11 0.64 0.66 -1.00 0.00 0.00 179.01 180.88 1xb4 h SER 171 N 0.64 1.00 1.04 1.42 4.64 -1.96 0.48 113.55 120.82 1xb4 h SER 171 Ca 0.05 0.02 -0.20 0.00 -0.47 0.00 0.00 61.79 61.19 1xb4 h SER 171 Cb 0.98 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.85 1xb4 h SER 171 CO 0.09 0.61 -0.98 -0.07 -0.87 0.00 0.00 176.83 175.61 1xb4 h LEU 172 N 1.12 0.00 -0.66 5.97 3.38 -1.90 -3.17 115.31 120.04 1xb4 h LEU 172 Ca 0.45 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.39 1xb4 h LEU 172 Cb 0.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1xb4 h LEU 172 CO -0.20 0.91 0.31 0.25 0.09 0.00 0.00 178.44 179.80 1xb4 h LEU 173 N 0.00 0.88 -0.79 1.67 5.85 0.12 -2.20 115.31 120.85 1xb4 h LEU 173 Ca -0.03 -0.14 0.16 0.00 0.84 0.00 0.00 57.88 58.71 1xb4 h LEU 173 Cb 1.72 -0.23 -0.11 0.00 0.37 0.00 0.00 40.66 42.42 1xb4 h LEU 173 CO 0.11 0.78 0.29 0.22 -0.34 0.00 0.00 178.44 179.51 1xb4 h TYR 174 N 0.93 0.49 0.00 1.25 3.20 -0.11 0.13 116.97 122.86 1xb4 h TYR 174 Ca 0.23 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 1xb4 h TYR 174 Cb 0.14 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 1xb4 h TYR 174 CO 0.01 0.00 -0.06 1.88 -1.64 0.00 0.00 178.16 178.35 1xb4 h TYR 175 N 0.40 0.00 0.00 -3.82 -1.99 -1.45 -1.89 116.97 108.22 1xb4 h TYR 175 Ca 0.45 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.16 1xb4 h TYR 175 Cb 0.75 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.48 1xb4 h TYR 175 CO -0.18 0.06 -0.48 0.00 -0.00 0.00 0.00 178.16 177.56 1xb4 h LEU 177 N 0.00 0.07 -0.89 0.00 3.38 -0.91 -3.21 115.31 113.74 1xb4 h LEU 177 Ca -0.01 -0.13 0.21 0.00 0.09 0.00 0.00 57.88 58.04 1xb4 h LEU 177 Cb 1.09 -0.02 -0.16 0.00 0.09 0.00 0.00 40.66 41.66 1xb4 h LEU 177 CO 0.01 1.11 -0.04 0.50 0.09 0.00 0.00 178.44 180.12 1xb4 h LYS 178 N 0.01 0.04 -0.63 1.13 1.63 -1.46 1.83 116.57 119.12 1xb4 h LYS 178 Ca -0.27 -0.00 0.18 0.00 -0.85 0.00 0.00 60.65 59.71 1xb4 h LYS 178 Cb 1.99 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 33.58 1xb4 h LYS 178 CO 0.09 0.03 0.50 -1.35 -3.45 0.00 0.00 179.45 175.27 1xb4 h PRO 179 N 0.05 0.00 0.00 1.90 0.11 -1.76 0.48 132.00 132.77 1xb4 h PRO 179 Ca 0.50 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.49 1xb4 h PRO 179 Cb 0.92 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 1xb4 h PRO 179 CO -0.83 0.00 -0.54 -0.07 -0.21 0.00 0.00 178.00 176.35 1xb4 h LEU 180 N 0.00 0.00 -0.29 2.35 4.07 0.26 -3.01 115.31 118.69 1xb4 h LEU 180 Ca 0.30 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 58.10 1xb4 h LEU 180 Cb 1.30 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.04 1xb4 h LEU 180 CO -0.00 0.54 -0.43 0.00 -1.08 0.00 0.00 178.44 177.46 1xb4 s ASP 182 N -6.78 5.24 0.00 0.00 -0.00 -0.80 -2.43 116.67 111.91 1xb4 s ASP 182 Ca -0.11 1.34 0.00 0.00 -0.00 0.00 0.00 52.55 53.78 1xb4 s ASP 182 Cb 0.09 -2.18 0.00 0.00 -0.00 0.00 0.00 42.92 40.84 1xb4 s ASP 182 CO 0.87 -1.49 0.00 0.54 -0.00 0.00 0.00 175.17 175.08 1xb4 n ARG 183 N -3.13 -0.90 -3.34 8.23 1.74 -1.26 -4.09 116.66 113.91 1xb4 n ARG 183 Ca 0.07 0.23 -0.15 0.00 -0.77 0.00 0.00 57.85 57.23 1xb4 n ARG 183 Cb 0.56 -3.92 -0.05 0.00 -1.02 0.00 0.00 32.46 28.03 1xb4 n ARG 183 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1xb4 n ASN 184 N -0.45 0.39 -0.23 0.55 4.13 -1.02 -4.77 115.26 113.85 1xb4 n ASN 184 Ca 0.00 -0.60 0.06 0.00 1.68 0.00 0.00 54.58 55.72 1xb4 n ASN 184 Cb 0.23 -0.75 -0.01 0.00 -1.54 0.00 0.00 39.78 37.70 1xb4 n ASN 184 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1xb4 n ARG 185 N -2.67 2.14 -3.62 3.52 5.12 0.53 -5.03 116.66 116.65 1xb4 n ARG 185 Ca -0.14 -0.57 -0.11 0.00 -1.93 0.00 0.00 57.85 55.10 1xb4 n ARG 185 Cb 0.32 -1.13 -0.04 0.00 -1.16 0.00 0.00 32.46 30.45 1xb4 n ARG 185 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xb4 s ALA 186 N -1.64 -0.98 -0.04 7.54 0.00 -0.74 -4.39 121.76 121.50 1xb4 s ALA 186 Ca 0.09 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.06 1xb4 s ALA 186 Cb 0.10 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.94 1xb4 s ALA 186 CO 0.33 -0.66 -0.10 0.99 0.00 0.00 0.00 175.76 176.33 1xb4 s THR 187 N -3.80 0.88 0.12 0.00 2.01 0.06 -4.27 115.64 110.65 1xb4 s THR 187 Ca 0.03 -0.38 -0.03 0.00 0.31 0.00 0.00 61.69 61.63 1xb4 s THR 187 Cb 0.02 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.67 1xb4 s THR 187 CO -0.12 0.29 0.33 -0.04 -0.69 0.00 0.00 174.62 174.39 1xb4 s MET 188 N 0.45 3.55 -0.13 4.92 -1.94 -1.26 -1.07 119.30 123.83 1xb4 s MET 188 Ca -0.08 -0.22 0.03 0.00 -1.71 0.00 0.00 55.69 53.70 1xb4 s MET 188 Cb -0.12 -2.90 0.01 0.00 2.01 0.00 0.00 34.83 33.82 1xb4 s MET 188 CO 0.01 0.50 -0.22 -0.51 -0.01 0.00 0.00 175.02 174.80 1xb4 s LEU 189 N -2.68 2.07 0.33 -0.03 1.43 -0.47 -4.97 118.68 114.36 1xb4 s LEU 189 Ca 0.39 -0.58 0.07 0.00 -1.03 0.00 0.00 54.13 52.98 1xb4 s LEU 189 Cb -0.12 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 1xb4 s LEU 189 CO 0.26 0.08 0.30 -1.59 0.23 0.00 0.00 176.35 175.63 1xb4 s LYS 190 N 0.78 2.76 0.20 1.70 -2.85 -1.26 -1.18 119.74 119.89 1xb4 s LYS 190 Ca -0.08 -1.27 0.01 0.00 -1.00 0.00 0.00 55.97 53.62 1xb4 s LYS 190 Cb -0.16 -2.50 0.04 0.00 -2.06 0.00 0.00 37.83 33.15 1xb4 s LYS 190 CO -0.01 0.10 0.28 -0.40 0.10 0.00 0.00 175.35 175.42 1xb4 n ASP 191 N -1.38 0.45 -0.30 0.03 3.85 0.58 -4.81 116.55 114.96 1xb4 n ASP 191 Ca -0.02 -1.36 0.23 0.00 -0.71 0.00 0.00 54.79 52.93 1xb4 n ASP 191 Cb 0.60 -0.17 0.54 0.00 -1.35 0.00 0.00 41.12 40.73 1xb4 n ASP 191 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1xb4 h GLU 192 N 0.00 0.34 -2.08 0.11 4.11 -2.01 -0.09 114.58 114.96 1xb4 h GLU 192 Ca -0.09 -0.02 -0.70 0.00 0.07 0.00 0.00 59.36 58.61 1xb4 h GLU 192 Cb 0.36 -0.08 -0.24 0.00 0.50 0.00 0.00 28.75 29.30 1xb4 h GLU 192 CO 0.11 0.23 0.98 0.09 0.07 0.00 0.00 179.01 180.48 1xb4 n ASN 193 N -4.55 7.27 -2.70 3.06 4.13 -1.26 -4.86 115.26 116.34 1xb4 n ASN 193 Ca 0.24 -3.60 -0.10 0.00 1.68 0.00 0.00 54.58 52.80 1xb4 n ASN 193 Cb 0.88 -1.15 -0.02 0.00 -1.54 0.00 0.00 39.78 37.94 1xb4 n ASN 193 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1xb4 n ASP 194 N 0.06 -0.07 -4.53 6.41 9.92 -0.05 -4.86 116.55 123.44 1xb4 n ASP 194 Ca 0.52 -0.35 -0.34 0.00 -0.53 0.00 0.00 54.79 54.10 1xb4 n ASP 194 Cb 0.32 -0.43 -0.11 0.00 -0.64 0.00 0.00 41.12 40.25 1xb4 n ASP 194 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1xb4 s LYS 195 N -3.54 3.75 0.17 -1.24 2.20 -1.25 -4.82 119.74 115.01 1xb4 s LYS 195 Ca 0.10 -0.47 -0.32 0.00 -0.36 0.00 0.00 55.97 54.92 1xb4 s LYS 195 Cb -0.06 -3.02 -0.10 0.00 -1.51 0.00 0.00 37.83 33.14 1xb4 s LYS 195 CO 0.28 0.22 1.58 0.08 -0.36 0.00 0.00 175.35 177.15 1xb4 s VAL 196 N 0.45 2.56 0.00 4.02 1.01 -1.26 -0.31 120.40 126.87 1xb4 s VAL 196 Ca -0.01 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1xb4 s VAL 196 Cb -0.14 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1xb4 s VAL 196 CO 0.02 0.03 0.00 -0.38 0.00 0.00 0.00 175.10 174.77 1xb4 n ILE 197 N 3.97 0.00 -4.23 2.22 2.08 -0.33 -4.89 119.36 118.18 1xb4 n ILE 197 Ca 0.14 0.00 -0.17 0.00 0.56 0.00 0.00 62.75 63.28 1xb4 n ILE 197 Cb 0.38 -0.56 -0.08 0.00 -0.75 0.00 0.00 39.64 38.63 1xb4 n ILE 197 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1xb4 s ALA 198 N -1.74 1.51 -0.00 -1.39 0.00 -1.00 -1.10 121.76 118.04 1xb4 s ALA 198 Ca 0.00 -1.89 -0.25 0.00 0.00 0.00 0.00 51.96 49.82 1xb4 s ALA 198 Cb 0.00 1.40 0.06 0.00 0.00 0.00 0.00 23.12 24.58 1xb4 s ALA 198 CO 0.00 -0.67 0.56 -1.50 0.00 0.00 0.00 175.76 174.14 1xb4 s ILE 199 N -3.54 0.02 -0.07 0.00 2.07 -0.29 -1.37 121.20 118.02 1xb4 s ILE 199 Ca 0.38 -0.17 0.02 0.00 -1.41 0.00 0.00 60.65 59.48 1xb4 s ILE 199 Cb 0.03 -0.92 0.01 0.00 0.13 0.00 0.00 42.46 41.71 1xb4 s ILE 199 CO 0.23 -0.09 -0.13 -1.59 -1.91 0.00 0.00 174.94 171.44 1xb4 s LYS 200 N -1.73 1.87 0.00 3.50 -2.85 -0.23 -2.14 119.74 118.15 1xb4 s LYS 200 Ca -0.09 -0.47 0.11 0.00 -1.00 0.00 0.00 55.97 54.52 1xb4 s LYS 200 Cb -0.01 -1.53 0.08 0.00 -2.06 0.00 0.00 37.83 34.31 1xb4 s LYS 200 CO 0.04 0.03 0.84 1.33 0.10 0.00 0.00 175.35 177.69