#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bs4 s VAL 2 N 0.00 5.01 0.32 0.44 1.01 -1.26 -4.47 120.40 121.46 1bs4 s VAL 2 Ca 0.00 1.12 -0.04 0.00 0.00 0.00 0.00 61.98 63.06 1bs4 s VAL 2 Cb 0.00 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 1bs4 s VAL 2 CO 0.00 0.08 0.58 -0.76 0.00 0.00 0.00 175.10 175.00 1bs4 s LEU 3 N 2.17 4.00 0.02 3.92 1.43 -1.26 -5.02 118.68 123.94 1bs4 s LEU 3 Ca 0.27 0.69 -0.30 0.00 -1.03 0.00 0.00 54.13 53.75 1bs4 s LEU 3 Cb -0.16 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 1bs4 s LEU 3 CO 0.09 -0.26 0.97 -1.58 0.23 0.00 0.00 176.35 175.81 1bs4 s GLN 4 N -3.83 4.59 -0.17 1.70 0.74 -1.26 -4.93 119.66 116.49 1bs4 s GLN 4 Ca 0.44 1.41 -0.18 0.00 0.05 0.00 0.00 55.36 57.08 1bs4 s GLN 4 Cb -0.10 -3.44 -0.04 0.00 1.10 0.00 0.00 33.01 30.53 1bs4 s GLN 4 CO 0.33 0.01 0.50 0.08 -0.55 0.00 0.00 175.29 175.65 1bs4 s VAL 5 N 0.80 5.14 0.40 1.34 1.01 -1.26 -4.50 120.40 123.32 1bs4 s VAL 5 Ca 0.51 0.94 -0.26 0.00 0.00 0.00 0.00 61.98 63.17 1bs4 s VAL 5 Cb -0.21 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 1bs4 s VAL 5 CO 0.28 0.23 1.23 -0.76 0.00 0.00 0.00 175.10 176.08 1bs4 s LEU 6 N 1.27 4.22 0.10 3.92 1.43 0.17 -4.98 118.68 124.80 1bs4 s LEU 6 Ca 0.24 2.49 0.06 0.00 -1.03 0.00 0.00 54.13 55.89 1bs4 s LEU 6 Cb -0.15 -3.95 -0.04 0.00 0.03 0.00 0.00 46.19 42.08 1bs4 s LEU 6 CO 0.10 -0.73 -0.06 -1.00 0.23 0.00 0.00 176.35 174.88 1bs4 s HIS 7 N -1.33 2.84 0.57 0.29 3.76 -1.26 -4.27 115.29 115.90 1bs4 s HIS 7 Ca 0.56 -0.10 -0.20 0.00 -0.15 0.00 0.00 55.06 55.17 1bs4 s HIS 7 Cb -0.34 -1.48 -0.05 0.00 1.11 0.00 0.00 32.58 31.82 1bs4 s HIS 7 CO 0.43 0.45 1.22 0.44 -0.85 0.00 0.00 174.74 176.43 1bs4 n ILE 8 N 0.66 3.93 -1.40 0.60 -5.35 -1.00 -1.30 119.36 115.50 1bs4 n ILE 8 Ca -0.12 -0.50 -0.31 0.00 -0.27 0.00 0.00 62.75 61.55 1bs4 n ILE 8 Cb 0.52 -1.46 0.04 0.00 -1.74 0.00 0.00 39.64 37.00 1bs4 n ILE 8 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1bs4 n PRO 9 N -1.11 2.47 -1.76 6.28 -0.04 -1.26 -4.77 135.00 134.82 1bs4 n PRO 9 Ca 0.12 -2.83 -0.42 0.00 -0.04 0.00 0.00 63.50 60.33 1bs4 n PRO 9 Cb 0.45 -2.12 -0.03 0.00 -0.04 0.00 0.00 33.50 31.77 1bs4 n PRO 9 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1bs4 s ASP 10 N -0.89 6.44 0.46 3.54 -1.08 -0.42 -4.89 116.67 119.84 1bs4 s ASP 10 Ca 0.54 2.77 0.26 0.00 -0.52 0.00 0.00 52.55 55.60 1bs4 s ASP 10 Cb 0.42 -2.58 0.87 0.00 -1.46 0.00 0.00 42.92 40.16 1bs4 s ASP 10 CO -0.14 -0.96 1.80 1.05 0.52 0.00 0.00 175.17 177.44 1bs4 h GLU 11 N 7.62 0.00 0.00 4.34 -0.00 -2.00 -2.51 114.58 122.02 1bs4 h GLU 11 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.92 1bs4 h GLU 11 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 1bs4 h GLU 11 CO 0.95 0.13 0.00 0.00 -0.00 0.00 0.00 179.01 180.09 1bs4 h ARG 12 N 0.00 0.00 0.00 1.06 3.08 -1.97 -0.15 114.38 116.40 1bs4 h ARG 12 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bs4 h ARG 12 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1bs4 h ARG 12 CO 0.02 0.00 0.00 -0.07 -1.07 0.00 0.00 179.97 178.85 1bs4 h LEU 13 N 0.00 0.00 -1.56 3.04 4.07 -1.74 -3.03 115.31 116.10 1bs4 h LEU 13 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1bs4 h LEU 13 Cb 0.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1bs4 h LEU 13 CO 0.00 0.00 0.00 0.54 -1.08 0.00 0.00 178.44 177.90 1bs4 n ARG 14 N -2.56 2.05 -2.40 1.13 5.12 -0.07 -4.36 116.66 115.57 1bs4 n ARG 14 Ca 0.02 -1.55 -0.37 0.00 -1.93 0.00 0.00 57.85 54.02 1bs4 n ARG 14 Cb 0.28 -1.46 -0.03 0.00 -1.16 0.00 0.00 32.46 30.09 1bs4 n ARG 14 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1bs4 s LYS 15 N -1.86 4.06 -0.23 5.56 1.02 -1.15 -4.39 119.74 122.75 1bs4 s LYS 15 Ca 0.34 1.69 -0.17 0.00 0.02 0.00 0.00 55.97 57.85 1bs4 s LYS 15 Cb 0.20 -2.58 -0.03 0.00 -0.52 0.00 0.00 37.83 34.90 1bs4 s LYS 15 CO 0.31 -0.27 0.46 0.08 -0.92 0.00 0.00 175.35 175.00 1bs4 s VAL 16 N -1.53 5.14 0.44 3.17 1.01 -1.26 -3.55 120.40 123.82 1bs4 s VAL 16 Ca 0.58 0.79 -0.23 0.00 0.00 0.00 0.00 61.98 63.12 1bs4 s VAL 16 Cb -0.27 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 1bs4 s VAL 16 CO 0.33 0.17 1.13 0.00 0.00 0.00 0.00 175.10 176.73 1bs4 s ALA 17 N 1.80 3.01 0.34 5.51 0.00 0.24 -4.98 121.76 127.67 1bs4 s ALA 17 Ca 0.20 0.86 -0.13 0.00 0.00 0.00 0.00 51.96 52.89 1bs4 s ALA 17 Cb -0.15 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 1bs4 s ALA 17 CO 0.09 -0.52 0.73 0.15 0.00 0.00 0.00 175.76 176.21 1bs4 s LYS 18 N -2.64 3.91 0.54 0.00 1.02 -0.70 -4.75 119.74 117.13 1bs4 s LYS 18 Ca 0.62 0.57 -0.20 0.00 0.02 0.00 0.00 55.97 56.97 1bs4 s LYS 18 Cb -0.26 -2.44 -0.05 0.00 -0.52 0.00 0.00 37.83 34.55 1bs4 s LYS 18 CO 0.32 0.12 1.19 -1.25 -0.92 0.00 0.00 175.35 174.81 1bs4 s PRO 19 N -3.22 3.30 -0.01 -1.68 0.04 -1.26 -1.29 135.00 130.88 1bs4 s PRO 19 Ca 0.53 1.80 -0.30 0.00 0.04 0.00 0.00 61.00 63.07 1bs4 s PRO 19 Cb -0.10 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 1bs4 s PRO 19 CO 0.22 -0.93 1.31 0.08 0.04 0.00 0.00 177.00 177.71 1bs4 s VAL 20 N -1.59 3.92 0.14 -0.36 1.01 -1.26 -4.78 120.40 117.47 1bs4 s VAL 20 Ca 0.72 1.30 -0.10 0.00 0.00 0.00 0.00 61.98 63.90 1bs4 s VAL 20 Cb -0.29 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 1bs4 s VAL 20 CO 0.33 0.02 1.41 -0.33 0.00 0.00 0.00 175.10 176.53 1bs4 h GLU 21 N 7.53 0.79 -1.84 2.72 5.08 -2.01 -3.46 114.58 123.38 1bs4 h GLU 21 Ca -0.37 -0.53 0.07 0.00 -1.00 0.00 0.00 59.36 57.53 1bs4 h GLU 21 Cb 1.18 0.07 -0.22 0.00 0.50 0.00 0.00 28.75 30.28 1bs4 h GLU 21 CO 0.88 1.16 0.02 -2.00 -1.00 0.00 0.00 179.01 178.07 1bs4 s GLU 22 N -4.03 0.58 -0.81 2.33 2.12 -1.26 -5.10 118.70 112.53 1bs4 s GLU 22 Ca -0.10 1.20 -0.24 0.00 0.36 0.00 0.00 54.97 56.19 1bs4 s GLU 22 Cb 0.10 0.46 0.05 0.00 0.26 0.00 0.00 34.13 35.00 1bs4 s GLU 22 CO 0.88 -0.16 1.23 0.08 -0.54 0.00 0.00 175.26 176.76 1bs4 s VAL 23 N 2.19 4.01 0.05 3.70 1.01 -1.26 -4.85 120.40 125.25 1bs4 s VAL 23 Ca -0.08 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1bs4 s VAL 23 Cb -0.08 -4.89 0.00 0.00 0.00 0.00 0.00 36.38 31.42 1bs4 s VAL 23 CO -0.19 -1.75 0.00 -0.46 0.00 0.00 0.00 175.10 172.70 1bs4 n ASN 24 N 8.59 2.06 0.24 3.32 0.23 -1.26 -4.81 115.26 123.63 1bs4 n ASN 24 Ca 0.11 -1.21 0.09 0.00 -0.53 0.00 0.00 54.58 53.03 1bs4 n ASN 24 Cb 0.49 0.03 0.58 0.00 -2.08 0.00 0.00 39.78 38.80 1bs4 n ASN 24 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bs4 h ALA 25 N 1.00 1.36 -0.37 -2.53 0.00 -1.98 -0.69 119.26 116.05 1bs4 h ALA 25 Ca -0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1bs4 h ALA 25 Cb 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1bs4 h ALA 25 CO 0.07 0.25 -0.00 1.49 0.00 0.00 0.00 179.25 181.05 1bs4 h GLU 26 N 0.00 0.65 -0.69 0.00 4.81 -1.96 -1.31 114.58 116.09 1bs4 h GLU 26 Ca -0.00 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 58.94 1bs4 h GLU 26 Cb 0.44 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1bs4 h GLU 26 CO 0.03 0.76 0.12 0.82 -0.73 0.00 0.00 179.01 180.01 1bs4 h ILE 27 N 0.47 1.26 -0.06 2.32 1.08 -1.56 -2.28 117.51 118.75 1bs4 h ILE 27 Ca 0.10 -1.04 -0.11 0.00 -0.39 0.00 0.00 64.86 63.43 1bs4 h ILE 27 Cb 0.47 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 1bs4 h ILE 27 CO 0.02 0.39 -0.47 1.56 -0.69 0.00 0.00 178.15 178.96 1bs4 h GLN 28 N 1.06 0.14 -0.00 2.37 4.20 -1.09 -0.67 115.11 121.11 1bs4 h GLN 28 Ca 0.21 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1bs4 h GLN 28 Cb 0.43 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1bs4 h GLN 28 CO 0.01 0.58 -0.02 -0.09 -0.67 0.00 0.00 178.83 178.65 1bs4 h ARG 29 N 0.11 -0.03 -0.61 1.46 2.43 -1.04 -1.17 114.38 115.53 1bs4 h ARG 29 Ca 0.00 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.24 1bs4 h ARG 29 Cb 0.88 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.38 1bs4 h ARG 29 CO 0.07 -0.02 0.32 0.82 -1.51 0.00 0.00 179.97 179.65 1bs4 h ILE 30 N -0.03 0.94 -0.58 1.20 2.04 -0.75 -0.37 117.51 119.95 1bs4 h ILE 30 Ca 0.01 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1bs4 h ILE 30 Cb 0.04 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 1bs4 h ILE 30 CO -0.02 0.11 0.36 0.58 0.00 0.00 0.00 178.15 179.18 1bs4 h VAL 31 N 0.60 1.08 -0.50 1.67 2.07 -1.03 0.10 116.25 120.23 1bs4 h VAL 31 Ca 0.28 -0.25 -0.12 0.00 0.82 0.00 0.00 66.70 67.43 1bs4 h VAL 31 Cb 0.19 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1bs4 h VAL 31 CO -0.19 0.13 -0.16 0.44 0.02 0.00 0.00 177.57 177.82 1bs4 h ASP 32 N 0.72 1.01 -0.50 0.57 3.32 -0.44 -1.51 116.42 119.59 1bs4 h ASP 32 Ca 0.23 -0.37 -0.09 0.00 0.02 0.00 0.00 57.03 56.81 1bs4 h ASP 32 Cb 0.00 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 1bs4 h ASP 32 CO -0.09 1.15 -0.04 0.44 -1.72 0.00 0.00 179.24 178.99 1bs4 h ASP 33 N 0.86 0.92 -0.37 6.45 3.32 -0.80 -1.60 116.42 125.20 1bs4 h ASP 33 Ca 0.12 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1bs4 h ASP 33 Cb 0.73 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1bs4 h ASP 33 CO 0.06 1.00 0.23 0.24 -1.72 0.00 0.00 179.24 179.04 1bs4 h MET 34 N 0.86 0.50 -0.45 3.56 2.86 -0.46 -0.16 114.93 121.64 1bs4 h MET 34 Ca 0.15 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1bs4 h MET 34 Cb 0.56 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1bs4 h MET 34 CO 0.03 0.38 0.29 0.74 1.06 0.00 0.00 176.91 179.41 1bs4 h PHE 35 N 0.49 0.55 -0.82 -0.22 0.04 -1.12 0.36 116.94 116.22 1bs4 h PHE 35 Ca 0.13 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.92 1bs4 h PHE 35 Cb 0.00 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 37.93 1bs4 h PHE 35 CO -0.04 0.34 0.51 1.49 -0.60 0.00 0.00 178.31 180.01 1bs4 h GLU 36 N 0.59 1.10 -0.16 1.51 4.81 -1.02 -0.16 114.58 121.24 1bs4 h GLU 36 Ca 0.17 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1bs4 h GLU 36 Cb -0.05 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.09 1bs4 h GLU 36 CO -0.05 0.75 -0.19 1.15 -0.73 0.00 0.00 179.01 179.95 1bs4 h THR 37 N 1.12 1.34 -0.14 0.32 2.02 -0.69 -1.30 112.91 115.59 1bs4 h THR 37 Ca 0.30 -1.37 0.01 0.00 0.77 0.00 0.00 66.41 66.11 1bs4 h THR 37 Cb -0.08 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1bs4 h THR 37 CO -0.06 0.41 0.07 -0.03 0.37 0.00 0.00 175.52 176.28 1bs4 h MET 38 N 0.06 0.14 -0.46 6.66 1.85 -0.52 -1.80 114.93 120.86 1bs4 h MET 38 Ca 0.02 -0.01 -0.08 0.00 -0.61 0.00 0.00 59.70 59.02 1bs4 h MET 38 Cb 0.74 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.72 1bs4 h MET 38 CO 0.05 0.10 -0.06 1.88 -0.40 0.00 0.00 176.91 178.47 1bs4 h TYR 39 N 0.15 0.86 -0.72 1.39 0.05 -1.03 -0.16 116.97 117.52 1bs4 h TYR 39 Ca 0.05 -0.14 -0.02 0.00 0.05 0.00 0.00 58.73 58.68 1bs4 h TYR 39 Cb 0.01 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.48 1bs4 h TYR 39 CO -0.09 0.82 0.37 0.00 -1.05 0.00 0.00 178.16 178.22 1bs4 h ALA 40 N 1.20 1.31 -0.28 3.88 0.00 -0.92 -1.58 119.26 122.88 1bs4 h ALA 40 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1bs4 h ALA 40 Cb 0.53 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1bs4 h ALA 40 CO 0.03 0.55 0.00 0.39 0.00 0.00 0.00 179.25 180.22 1bs4 n GLU 41 N -4.35 1.94 -3.32 0.00 -0.58 -0.71 -4.96 120.64 108.65 1bs4 n GLU 41 Ca 0.07 -1.42 -0.18 0.00 -0.42 0.00 0.00 57.16 55.21 1bs4 n GLU 41 Cb 0.11 -1.40 0.06 0.00 -0.57 0.00 0.00 31.44 29.64 1bs4 n GLU 41 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1bs4 n GLU 42 N 0.64 -6.02 -3.06 3.49 1.02 -0.59 -5.03 120.64 111.10 1bs4 n GLU 42 Ca 0.16 0.63 -0.19 0.00 -0.02 0.00 0.00 57.16 57.74 1bs4 n GLU 42 Cb 0.39 -5.06 0.01 0.00 -0.02 0.00 0.00 31.44 26.76 1bs4 n GLU 42 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1bs4 s GLY 43 N -3.24 1.78 0.00 0.62 0.00 -0.15 -5.02 107.32 101.31 1bs4 s GLY 43 Ca 0.44 -1.46 0.06 0.00 0.00 0.00 0.00 44.72 43.77 1bs4 s GLY 43 CO 0.55 -1.29 0.53 0.29 0.00 0.00 0.00 173.10 173.18 1bs4 n ILE 44 N -1.93 0.00 -3.69 0.90 -5.35 -1.26 -4.62 119.36 103.41 1bs4 n ILE 44 Ca 0.05 -0.44 -0.14 0.00 -0.27 0.00 0.00 62.75 61.94 1bs4 n ILE 44 Cb 0.59 1.08 -0.08 0.00 -1.74 0.00 0.00 39.64 39.49 1bs4 n ILE 44 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1bs4 s GLY 45 N -0.96 -0.26 -0.17 3.28 0.00 -1.26 -0.89 107.32 107.07 1bs4 s GLY 45 Ca 0.06 0.53 -0.11 0.00 0.00 0.00 0.00 44.72 45.20 1bs4 s GLY 45 CO 0.15 0.28 0.41 -2.27 0.00 0.00 0.00 173.10 171.67 1bs4 s LEU 46 N -1.42 0.03 0.05 0.66 2.96 0.11 -4.86 118.68 116.22 1bs4 s LEU 46 Ca -0.12 0.88 0.00 0.00 -0.22 0.00 0.00 54.13 54.68 1bs4 s LEU 46 Cb -0.03 1.37 -0.04 0.00 0.50 0.00 0.00 46.19 47.99 1bs4 s LEU 46 CO 0.04 -0.18 0.17 0.00 -1.32 0.00 0.00 176.35 175.06 1bs4 s ALA 47 N 1.11 3.88 0.32 5.97 0.00 -1.26 -1.17 121.76 130.62 1bs4 s ALA 47 Ca -0.07 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.06 1bs4 s ALA 47 Cb -0.07 -1.74 0.65 0.00 0.00 0.00 0.00 23.12 21.96 1bs4 s ALA 47 CO -0.09 0.80 1.89 0.00 0.00 0.00 0.00 175.76 178.35 1bs4 h ALA 48 N 3.27 1.64 0.00 0.00 0.00 -1.37 -1.42 119.26 121.37 1bs4 h ALA 48 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1bs4 h ALA 48 Cb 1.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1bs4 h ALA 48 CO 0.72 0.18 0.00 0.00 0.00 0.00 0.00 179.25 180.15 1bs4 h THR 49 N 0.89 0.00 0.00 0.00 1.03 -1.68 -0.67 112.91 112.47 1bs4 h THR 49 Ca 0.42 -0.27 -0.08 0.00 -0.01 0.00 0.00 66.41 66.47 1bs4 h THR 49 Cb 0.42 1.15 -0.01 0.00 -1.07 0.00 0.00 68.15 68.64 1bs4 h THR 49 CO -0.18 0.00 -0.38 1.56 -0.01 0.00 0.00 175.52 176.51 1bs4 h GLN 50 N 0.00 0.00 -0.65 0.00 4.20 -1.55 -1.80 115.11 115.31 1bs4 h GLN 50 Ca 0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 1bs4 h GLN 50 Cb 0.30 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.95 1bs4 h GLN 50 CO 0.00 0.38 0.23 1.33 -0.67 0.00 0.00 178.83 180.10 1bs4 n VAL 51 N -3.72 2.84 -2.05 -0.54 0.24 -0.32 -0.66 118.33 114.12 1bs4 n VAL 51 Ca -0.01 -1.86 -0.19 0.00 -2.04 0.00 0.00 64.34 60.24 1bs4 n VAL 51 Cb 0.47 -0.35 -0.03 0.00 -1.47 0.00 0.00 33.84 32.45 1bs4 n VAL 51 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bs4 n ASP 52 N -0.45 -5.33 -4.24 -1.34 2.03 -0.68 -4.87 116.55 101.67 1bs4 n ASP 52 Ca 0.40 0.16 -0.37 0.00 0.52 0.00 0.00 54.79 55.50 1bs4 n ASP 52 Cb 1.31 -4.42 -0.13 0.00 -0.72 0.00 0.00 41.12 37.17 1bs4 n ASP 52 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1bs4 s ILE 53 N -2.84 3.52 -1.10 5.18 1.01 -0.83 -4.99 121.20 121.14 1bs4 s ILE 53 Ca 0.00 -1.22 -0.03 0.00 0.00 0.00 0.00 60.65 59.41 1bs4 s ILE 53 Cb 0.00 -3.00 0.28 0.00 0.01 0.00 0.00 42.46 39.75 1bs4 s ILE 53 CO 0.00 -0.15 1.86 1.41 0.00 0.00 0.00 174.94 178.06 1bs4 n HIS 54 N 4.75 2.64 -4.29 3.97 8.25 -1.26 -2.15 115.22 127.13 1bs4 n HIS 54 Ca -0.13 -2.61 -0.16 0.00 -0.26 0.00 0.00 57.72 54.56 1bs4 n HIS 54 Cb 0.44 -1.35 -0.10 0.00 1.12 0.00 0.00 29.99 30.10 1bs4 n HIS 54 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1bs4 s GLN 55 N -3.29 1.17 -1.36 -0.41 -0.21 -1.26 -1.72 119.66 112.57 1bs4 s GLN 55 Ca 0.40 -1.52 -0.16 0.00 0.02 0.00 0.00 55.36 54.09 1bs4 s GLN 55 Cb 0.16 -0.74 0.05 0.00 1.00 0.00 0.00 33.01 33.48 1bs4 s GLN 55 CO -0.07 0.07 1.97 0.54 -2.12 0.00 0.00 175.29 175.68 1bs4 n ARG 56 N -0.28 2.99 -4.53 2.91 1.74 -0.41 -4.50 116.66 114.57 1bs4 n ARG 56 Ca -0.09 -2.94 -0.22 0.00 -0.77 0.00 0.00 57.85 53.84 1bs4 n ARG 56 Cb 0.61 -3.40 -0.15 0.00 -1.02 0.00 0.00 32.46 28.50 1bs4 n ARG 56 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bs4 s ILE 57 N 3.90 0.98 -0.01 0.55 1.01 -1.26 -0.54 121.20 125.83 1bs4 s ILE 57 Ca 0.51 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.69 1bs4 s ILE 57 Cb 0.09 -0.85 -0.00 0.00 0.01 0.00 0.00 42.46 41.70 1bs4 s ILE 57 CO 0.01 0.29 -0.04 -0.63 0.00 0.00 0.00 174.94 174.57 1bs4 s ILE 58 N 0.06 0.30 -0.00 2.92 1.01 -0.00 -1.18 121.20 124.30 1bs4 s ILE 58 Ca -0.02 -0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.56 1bs4 s ILE 58 Cb -0.08 -0.26 -0.02 0.00 0.01 0.00 0.00 42.46 42.10 1bs4 s ILE 58 CO 0.01 0.09 -0.23 0.68 0.00 0.00 0.00 174.94 175.49 1bs4 s VAL 59 N 0.00 2.35 -0.01 2.92 -7.23 -0.31 -0.81 120.40 117.31 1bs4 s VAL 59 Ca 0.00 -1.12 0.01 0.00 -1.81 0.00 0.00 61.98 59.06 1bs4 s VAL 59 Cb -0.03 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 35.04 1bs4 s VAL 59 CO -0.00 0.50 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.62 1bs4 s ILE 60 N -0.72 0.27 -0.24 -0.62 1.01 -0.02 -0.71 121.20 120.17 1bs4 s ILE 60 Ca 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.63 1bs4 s ILE 60 Cb -0.10 -0.26 0.13 0.00 0.01 0.00 0.00 42.46 42.23 1bs4 s ILE 60 CO 0.01 0.10 0.35 -0.62 0.00 0.00 0.00 174.94 174.78 1bs4 s ASP 61 N 0.18 0.40 0.00 3.58 -1.08 -0.07 -0.79 116.67 118.89 1bs4 s ASP 61 Ca -0.02 0.18 0.24 0.00 -0.52 0.00 0.00 52.55 52.43 1bs4 s ASP 61 Cb -0.04 1.01 0.28 0.00 -1.46 0.00 0.00 42.92 42.70 1bs4 s ASP 61 CO -0.00 -0.30 1.25 1.33 0.52 0.00 0.00 175.17 177.97 1bs4 n VAL 62 N 5.36 0.00 -1.95 1.11 0.24 -1.26 -4.48 118.33 117.34 1bs4 n VAL 62 Ca -0.04 -0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.89 1bs4 n VAL 62 Cb 0.50 0.49 0.03 0.00 -1.47 0.00 0.00 33.84 33.38 1bs4 n VAL 62 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1bs4 s SER 63 N -3.00 5.43 0.26 -1.34 1.04 -1.26 -4.95 113.70 109.88 1bs4 s SER 63 Ca 0.10 2.55 0.17 0.00 0.48 0.00 0.00 55.95 59.26 1bs4 s SER 63 Cb 0.17 -2.62 0.07 0.00 0.10 0.00 0.00 66.02 63.74 1bs4 s SER 63 CO 0.75 -1.44 1.32 1.05 0.98 0.00 0.00 173.24 175.90 1bs4 h GLU 64 N 1.41 0.00 -0.72 4.02 4.11 -2.01 -3.18 114.58 118.21 1bs4 h GLU 64 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1bs4 h GLU 64 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1bs4 h GLU 64 CO 0.57 0.32 0.00 0.09 0.07 0.00 0.00 179.01 180.07 1bs4 n ASN 65 N -3.09 3.61 -4.36 3.06 5.03 -1.26 -4.92 115.26 113.33 1bs4 n ASN 65 Ca 0.00 -2.48 -0.37 0.00 0.87 0.00 0.00 54.58 52.60 1bs4 n ASN 65 Cb 0.70 -0.57 -0.07 0.00 -1.02 0.00 0.00 39.78 38.82 1bs4 n ASN 65 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1bs4 n ARG 66 N 0.41 -1.56 -1.11 3.52 5.12 -1.20 -4.83 116.66 117.01 1bs4 n ARG 66 Ca 0.16 0.20 0.02 0.00 -1.93 0.00 0.00 57.85 56.30 1bs4 n ARG 66 Cb 0.76 -4.48 0.01 0.00 -1.16 0.00 0.00 32.46 27.59 1bs4 n ARG 66 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1bs4 n ASP 67 N -2.67 0.53 -3.44 0.55 5.68 -1.26 -4.88 116.55 111.07 1bs4 n ASP 67 Ca -0.05 -1.97 -0.27 0.00 -0.50 0.00 0.00 54.79 52.00 1bs4 n ASP 67 Cb 0.55 -0.23 -0.08 0.00 -1.14 0.00 0.00 41.12 40.22 1bs4 n ASP 67 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1bs4 n GLU 68 N 0.29 2.13 -2.64 0.11 0.00 -1.26 -5.10 120.64 114.18 1bs4 n GLU 68 Ca 0.02 -4.40 -0.42 0.00 0.00 0.00 0.00 57.16 52.36 1bs4 n GLU 68 Cb 0.96 -2.09 -0.03 0.00 0.00 0.00 0.00 31.44 30.28 1bs4 n GLU 68 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1bs4 s ARG 69 N -2.12 4.53 -0.15 5.31 0.52 -1.26 -4.55 118.95 121.22 1bs4 s ARG 69 Ca 0.37 1.51 0.02 0.00 -0.52 0.00 0.00 55.73 57.11 1bs4 s ARG 69 Cb 0.13 -3.43 0.01 0.00 0.52 0.00 0.00 34.95 32.18 1bs4 s ARG 69 CO -0.05 -0.11 -0.21 -1.17 0.02 0.00 0.00 175.30 173.79 1bs4 s LEU 70 N 1.04 2.07 -0.16 2.53 2.96 0.03 -5.02 118.68 122.14 1bs4 s LEU 70 Ca 0.54 -0.60 -0.01 0.00 -0.22 0.00 0.00 54.13 53.84 1bs4 s LEU 70 Cb -0.23 -1.42 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 1bs4 s LEU 70 CO 0.28 0.06 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.57 1bs4 s VAL 71 N 0.94 3.12 -0.29 1.68 1.01 -1.26 -0.84 120.40 124.76 1bs4 s VAL 71 Ca -0.04 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1bs4 s VAL 71 Cb -0.15 -2.34 0.06 0.00 0.00 0.00 0.00 36.38 33.95 1bs4 s VAL 71 CO -0.04 0.50 -0.05 -0.76 0.00 0.00 0.00 175.10 174.75 1bs4 s LEU 72 N 0.66 3.78 -0.13 3.92 1.43 0.01 -4.52 118.68 123.83 1bs4 s LEU 72 Ca -0.06 -1.44 -0.02 0.00 -1.03 0.00 0.00 54.13 51.58 1bs4 s LEU 72 Cb -0.15 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 1bs4 s LEU 72 CO 0.02 -0.24 -0.05 -0.63 0.23 0.00 0.00 176.35 175.68 1bs4 s ILE 73 N 1.14 3.78 -1.30 -0.59 1.01 -0.51 -0.82 121.20 123.91 1bs4 s ILE 73 Ca -0.05 -0.41 -0.07 0.00 0.00 0.00 0.00 60.65 60.11 1bs4 s ILE 73 Cb -0.20 -2.62 -0.00 0.00 0.01 0.00 0.00 42.46 39.65 1bs4 s ILE 73 CO -0.04 0.52 0.58 0.59 0.00 0.00 0.00 174.94 176.60 1bs4 n ASN 74 N 3.19 -2.11 -4.75 3.58 3.02 0.30 -0.52 115.26 117.97 1bs4 n ASN 74 Ca -0.18 -0.99 -0.34 0.00 -0.03 0.00 0.00 54.58 53.05 1bs4 n ASN 74 Cb 0.53 -3.28 0.06 0.00 -0.61 0.00 0.00 39.78 36.47 1bs4 n ASN 74 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1bs4 s PRO 75 N -6.30 2.63 -0.04 3.52 0.04 -1.26 -4.57 135.00 129.02 1bs4 s PRO 75 Ca 0.16 1.60 -0.02 0.00 0.04 0.00 0.00 61.00 62.79 1bs4 s PRO 75 Cb -0.06 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.60 1bs4 s PRO 75 CO 0.87 -1.43 0.05 -2.00 0.04 0.00 0.00 177.00 174.54 1bs4 s GLU 76 N -3.85 -0.01 -0.36 4.56 2.12 0.54 -4.97 118.70 116.73 1bs4 s GLU 76 Ca 0.72 0.34 -0.29 0.00 0.36 0.00 0.00 54.97 56.10 1bs4 s GLU 76 Cb -0.25 -0.54 0.02 0.00 0.26 0.00 0.00 34.13 33.61 1bs4 s GLU 76 CO 0.40 -0.32 1.14 -1.17 -0.54 0.00 0.00 175.26 174.78 1bs4 s LEU 77 N 2.08 3.83 -0.14 2.70 2.96 -1.26 -0.99 118.68 127.87 1bs4 s LEU 77 Ca 0.04 0.92 -0.12 0.00 -0.22 0.00 0.00 54.13 54.75 1bs4 s LEU 77 Cb -0.12 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.78 1bs4 s LEU 77 CO -0.03 -1.03 0.36 -0.07 -1.32 0.00 0.00 176.35 174.26 1bs4 h LEU 78 N 10.59 0.31 -7.11 -0.68 3.38 -1.03 -3.49 115.31 117.29 1bs4 h LEU 78 Ca -0.22 -0.82 -0.05 0.00 0.09 0.00 0.00 57.88 56.87 1bs4 h LEU 78 Cb 1.07 -0.10 -0.16 0.00 0.09 0.00 0.00 40.66 41.55 1bs4 h LEU 78 CO 1.06 1.73 0.11 -1.83 0.09 0.00 0.00 178.44 179.60 1bs4 s GLU 79 N -2.50 1.09 0.01 1.13 -1.05 -1.06 -4.99 118.70 111.33 1bs4 s GLU 79 Ca -0.23 -0.14 -0.06 0.00 -0.15 0.00 0.00 54.97 54.38 1bs4 s GLU 79 Cb 0.06 0.50 -0.00 0.00 -0.44 0.00 0.00 34.13 34.25 1bs4 s GLU 79 CO 0.73 -0.40 0.11 -1.59 0.95 0.00 0.00 175.26 175.06 1bs4 s LYS 80 N -2.33 0.48 0.11 -4.83 -2.85 -1.26 -0.13 119.74 108.93 1bs4 s LYS 80 Ca -0.06 -0.48 -0.14 0.00 -1.00 0.00 0.00 55.97 54.29 1bs4 s LYS 80 Cb -0.01 0.20 0.03 0.00 -2.06 0.00 0.00 37.83 35.99 1bs4 s LYS 80 CO -0.01 -0.11 0.35 -1.54 0.10 0.00 0.00 175.35 174.14 1bs4 s SER 81 N -1.52 -0.15 0.00 0.03 1.04 -0.26 -5.00 113.70 107.83 1bs4 s SER 81 Ca -0.13 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1bs4 s SER 81 Cb -0.07 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1bs4 s SER 81 CO 0.00 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.03 1bs4 n GLY 82 N -0.10 -1.36 3.16 7.32 0.00 -1.26 -1.29 105.19 111.65 1bs4 n GLY 82 Ca -0.16 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 1bs4 n GLY 82 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bs4 s GLU 83 N -1.28 0.31 0.05 1.61 1.03 -1.26 -3.24 118.70 115.92 1bs4 s GLU 83 Ca 0.00 0.44 0.01 0.00 0.03 0.00 0.00 54.97 55.45 1bs4 s GLU 83 Cb 0.00 0.10 -0.00 0.00 -0.80 0.00 0.00 34.13 33.43 1bs4 s GLU 83 CO 0.00 -0.07 0.04 0.25 -1.33 0.00 0.00 175.26 174.16 1bs4 n THR 84 N 3.21 0.00 0.00 1.83 -2.24 0.73 -4.60 114.28 113.21 1bs4 n THR 84 Ca -0.15 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1bs4 n THR 84 Cb 0.57 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1bs4 n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bs4 n GLY 85 N -0.09 1.06 3.54 3.38 0.00 -1.26 -0.72 105.19 111.09 1bs4 n GLY 85 Ca 0.01 0.32 -0.25 0.00 0.00 0.00 0.00 46.02 46.10 1bs4 n GLY 85 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1bs4 s ILE 86 N -0.08 1.63 -0.56 -0.61 -4.36 -1.26 -4.92 121.20 111.04 1bs4 s ILE 86 Ca 0.00 -2.01 -0.28 0.00 -0.26 0.00 0.00 60.65 58.11 1bs4 s ILE 86 Cb 0.00 -2.89 0.01 0.00 1.25 0.00 0.00 42.46 40.83 1bs4 s ILE 86 CO 0.00 -0.01 1.41 -1.61 0.24 0.00 0.00 174.94 174.97 1bs4 s GLU 87 N -3.79 3.31 0.36 0.37 2.02 -1.26 -3.42 118.70 116.29 1bs4 s GLU 87 Ca 0.36 0.44 -0.20 0.00 0.02 0.00 0.00 54.97 55.59 1bs4 s GLU 87 Cb 0.09 -4.12 -0.10 0.00 0.10 0.00 0.00 34.13 30.10 1bs4 s GLU 87 CO 0.17 -1.93 0.87 -1.21 0.02 0.00 0.00 175.26 173.17 1bs4 s GLU 88 N 5.49 4.22 0.26 1.61 2.02 -0.51 -4.74 118.70 127.05 1bs4 s GLU 88 Ca 0.52 1.00 0.01 0.00 0.02 0.00 0.00 54.97 56.52 1bs4 s GLU 88 Cb -0.11 -2.41 0.01 0.00 0.10 0.00 0.00 34.13 31.72 1bs4 s GLU 88 CO 0.25 0.11 0.07 0.41 0.02 0.00 0.00 175.26 176.12 1bs4 n GLY 89 N -0.26 3.52 3.64 -1.39 0.00 -1.26 -2.23 105.19 107.22 1bs4 n GLY 89 Ca 0.04 -2.27 -0.04 0.00 0.00 0.00 0.00 46.02 43.75 1bs4 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bs4 h LEU 91 N 4.98 0.00 0.00 0.00 3.38 -1.96 -1.30 115.31 120.41 1bs4 h LEU 91 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1bs4 h LEU 91 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1bs4 h LEU 91 CO 0.17 0.00 -0.29 -1.20 0.09 0.00 0.00 178.44 177.21 1bs4 n SER 92 N -2.70 0.30 -3.43 -0.43 7.64 -1.26 -4.33 113.62 109.41 1bs4 n SER 92 Ca 0.01 0.09 -0.26 0.00 1.01 0.00 0.00 58.87 59.71 1bs4 n SER 92 Cb 0.24 -0.08 -0.09 0.00 -1.01 0.00 0.00 64.21 63.27 1bs4 n SER 92 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1bs4 n ILE 93 N -1.53 0.88 -1.68 0.44 5.41 -0.49 -2.38 119.36 120.01 1bs4 n ILE 93 Ca 0.06 -4.58 -0.46 0.00 1.00 0.00 0.00 62.75 58.77 1bs4 n ILE 93 Cb 0.34 -2.02 -0.04 0.00 -0.71 0.00 0.00 39.64 37.21 1bs4 n ILE 93 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1bs4 n PRO 94 N 1.46 2.27 -0.91 0.38 -0.02 -1.25 -2.35 135.00 134.57 1bs4 n PRO 94 Ca 0.26 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 1bs4 n PRO 94 Cb 0.44 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 1bs4 n PRO 94 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1bs4 n GLU 95 N 4.97 -0.65 -4.05 -0.52 1.02 -1.26 -4.81 120.64 115.34 1bs4 n GLU 95 Ca 0.19 0.16 -0.36 0.00 -0.02 0.00 0.00 57.16 57.14 1bs4 n GLU 95 Cb 0.30 -3.83 -0.08 0.00 -0.02 0.00 0.00 31.44 27.82 1bs4 n GLU 95 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1bs4 s GLN 96 N -0.83 3.43 0.06 3.49 -1.52 -0.99 -5.11 119.66 118.19 1bs4 s GLN 96 Ca 0.00 -0.26 0.05 0.00 -1.95 0.00 0.00 55.36 53.20 1bs4 s GLN 96 Cb 0.00 -3.08 -0.03 0.00 -0.22 0.00 0.00 33.01 29.68 1bs4 s GLN 96 CO 0.00 0.65 -0.15 1.03 -0.25 0.00 0.00 175.29 176.57 1bs4 s ARG 97 N -0.68 0.86 -0.20 2.91 1.81 -1.26 -4.42 118.95 117.98 1bs4 s ARG 97 Ca 0.12 -0.91 -0.22 0.00 -1.72 0.00 0.00 55.73 52.99 1bs4 s ARG 97 Cb -0.12 -0.89 0.06 0.00 -0.45 0.00 0.00 34.95 33.56 1bs4 s ARG 97 CO 0.02 0.20 0.61 0.00 -0.68 0.00 0.00 175.30 175.46 1bs4 s ALA 98 N -1.16 -1.53 0.21 2.13 0.00 -0.95 -4.91 121.76 115.56 1bs4 s ALA 98 Ca -0.01 1.65 -0.30 0.00 0.00 0.00 0.00 51.96 53.30 1bs4 s ALA 98 Cb -0.09 -0.87 -0.09 0.00 0.00 0.00 0.00 23.12 22.07 1bs4 s ALA 98 CO 0.02 -0.30 1.32 -1.17 0.00 0.00 0.00 175.76 175.63 1bs4 s LEU 99 N 0.10 4.42 -0.01 0.00 0.20 -1.25 -1.42 118.68 120.71 1bs4 s LEU 99 Ca -0.02 2.42 0.01 0.00 0.69 0.00 0.00 54.13 57.24 1bs4 s LEU 99 Cb -0.04 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.11 1bs4 s LEU 99 CO 0.02 -0.53 -0.05 -0.69 -0.29 0.00 0.00 176.35 174.81 1bs4 s VAL 100 N 0.06 0.42 0.05 1.68 1.01 -1.22 -4.97 120.40 117.43 1bs4 s VAL 100 Ca 0.56 -0.19 -0.31 0.00 0.00 0.00 0.00 61.98 62.05 1bs4 s VAL 100 Cb -0.37 -0.38 -0.07 0.00 0.00 0.00 0.00 36.38 35.56 1bs4 s VAL 100 CO 0.39 0.14 1.43 -2.84 0.00 0.00 0.00 175.10 174.22 1bs4 s PRO 101 N 0.12 4.28 0.18 2.72 0.02 -1.26 -4.27 135.00 136.80 1bs4 s PRO 101 Ca -0.01 2.06 0.04 0.00 0.02 0.00 0.00 61.00 63.11 1bs4 s PRO 101 Cb -0.05 -3.47 -0.05 0.00 0.02 0.00 0.00 34.50 30.96 1bs4 s PRO 101 CO -0.00 -0.55 -0.06 1.03 -0.33 0.00 0.00 177.00 177.09 1bs4 s ARG 102 N 2.00 1.17 0.46 5.54 1.81 0.10 -4.99 118.95 125.04 1bs4 s ARG 102 Ca 0.66 -1.55 -0.23 0.00 -1.72 0.00 0.00 55.73 52.89 1bs4 s ARG 102 Cb -0.34 -0.60 -0.07 0.00 -0.45 0.00 0.00 34.95 33.48 1bs4 s ARG 102 CO 0.29 -0.01 1.17 0.00 -0.68 0.00 0.00 175.30 176.07 1bs4 s ALA 103 N -3.38 2.98 0.05 2.13 0.00 -1.26 -0.19 121.76 122.08 1bs4 s ALA 103 Ca 0.22 0.95 -0.16 0.00 0.00 0.00 0.00 51.96 52.98 1bs4 s ALA 103 Cb 0.04 -3.39 -0.29 0.00 0.00 0.00 0.00 23.12 19.48 1bs4 s ALA 103 CO 0.04 -0.68 1.09 1.49 0.00 0.00 0.00 175.76 177.70 1bs4 h GLU 104 N 2.07 0.61 -6.13 0.00 4.81 -1.23 -3.42 114.58 111.28 1bs4 h GLU 104 Ca -0.49 -0.81 -0.59 0.00 -0.13 0.00 0.00 59.36 57.34 1bs4 h GLU 104 Cb 1.25 0.27 -0.26 0.00 0.63 0.00 0.00 28.75 30.63 1bs4 h GLU 104 CO 0.60 1.36 -0.85 0.15 -0.73 0.00 0.00 179.01 179.55 1bs4 s LYS 105 N -2.97 1.47 -0.05 1.92 1.02 -0.41 -3.56 119.74 117.16 1bs4 s LYS 105 Ca -0.10 -0.93 -0.04 0.00 0.02 0.00 0.00 55.97 54.92 1bs4 s LYS 105 Cb 0.05 -1.56 0.02 0.00 -0.52 0.00 0.00 37.83 35.82 1bs4 s LYS 105 CO 0.92 0.40 0.13 0.08 -0.92 0.00 0.00 175.35 175.97 1bs4 s VAL 106 N -0.76 -0.01 -0.15 3.17 1.01 -0.26 -1.11 120.40 122.30 1bs4 s VAL 106 Ca 0.08 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.11 1bs4 s VAL 106 Cb -0.09 -0.20 0.02 0.00 0.00 0.00 0.00 36.38 36.11 1bs4 s VAL 106 CO 0.01 0.02 -0.17 -0.75 0.00 0.00 0.00 175.10 174.21 1bs4 s LYS 107 N 0.31 2.57 0.26 2.72 2.20 0.82 -0.69 119.74 127.94 1bs4 s LYS 107 Ca -0.02 -0.67 0.10 0.00 -0.36 0.00 0.00 55.97 55.02 1bs4 s LYS 107 Cb -0.03 -2.24 -0.05 0.00 -1.51 0.00 0.00 37.83 34.00 1bs4 s LYS 107 CO -0.01 -0.17 -0.17 0.96 -0.36 0.00 0.00 175.35 175.61 1bs4 s ILE 108 N 1.25 2.19 -0.06 5.43 -4.36 -0.04 -0.33 121.20 125.28 1bs4 s ILE 108 Ca 0.01 -2.32 0.06 0.00 -0.26 0.00 0.00 60.65 58.14 1bs4 s ILE 108 Cb -0.14 -2.26 -0.01 0.00 1.25 0.00 0.00 42.46 41.30 1bs4 s ILE 108 CO -0.08 -0.44 -0.25 -0.60 0.24 0.00 0.00 174.94 173.81 1bs4 s ARG 109 N -3.57 2.58 0.26 0.37 3.52 -0.16 -1.23 118.95 120.72 1bs4 s ARG 109 Ca 0.28 -0.90 -0.11 0.00 -0.13 0.00 0.00 55.73 54.87 1bs4 s ARG 109 Cb -0.03 -2.17 -0.00 0.00 -1.56 0.00 0.00 34.95 31.19 1bs4 s ARG 109 CO 0.12 0.37 0.47 0.00 -0.81 0.00 0.00 175.30 175.45 1bs4 s ALA 110 N -0.13 -0.05 -0.00 6.12 0.00 -0.49 -0.34 121.76 126.87 1bs4 s ALA 110 Ca -0.05 -1.00 -0.07 0.00 0.00 0.00 0.00 51.96 50.84 1bs4 s ALA 110 Cb -0.14 1.08 -0.05 0.00 0.00 0.00 0.00 23.12 24.02 1bs4 s ALA 110 CO 0.04 -0.84 0.26 -0.51 0.00 0.00 0.00 175.76 174.71 1bs4 s LEU 111 N -3.06 4.37 0.00 0.00 1.43 0.32 -0.53 118.68 121.22 1bs4 s LEU 111 Ca 0.24 0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 53.89 1bs4 s LEU 111 Cb -0.00 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.60 1bs4 s LEU 111 CO 0.11 0.27 0.02 -0.90 0.23 0.00 0.00 176.35 176.07 1bs4 n ASP 112 N 1.20 0.01 0.30 2.29 5.68 0.19 -1.42 116.55 124.80 1bs4 n ASP 112 Ca -0.12 -1.01 0.18 0.00 -0.50 0.00 0.00 54.79 53.34 1bs4 n ASP 112 Cb 0.53 -0.01 0.90 0.00 -1.14 0.00 0.00 41.12 41.39 1bs4 n ASP 112 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1bs4 h ARG 113 N 0.00 0.00 -0.01 0.11 2.43 -1.89 -0.43 114.38 114.59 1bs4 h ARG 113 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1bs4 h ARG 113 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1bs4 h ARG 113 CO 0.00 0.04 -0.34 -0.25 -1.51 0.00 0.00 179.97 177.91 1bs4 n ASP 114 N -3.28 0.95 0.00 -3.80 8.00 -1.26 -4.87 116.55 112.29 1bs4 n ASP 114 Ca -0.01 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.71 1bs4 n ASP 114 Cb 0.20 0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1bs4 n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bs4 n GLY 115 N 1.38 0.59 3.79 0.44 0.00 -0.17 -4.98 105.19 106.24 1bs4 n GLY 115 Ca 0.10 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 1bs4 n GLY 115 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bs4 s LYS 116 N -0.60 4.21 0.51 1.61 2.36 -1.26 -4.74 119.74 121.83 1bs4 s LYS 116 Ca 0.00 0.67 -0.20 0.00 -2.55 0.00 0.00 55.97 53.89 1bs4 s LYS 116 Cb 0.00 -3.28 -0.07 0.00 -1.05 0.00 0.00 37.83 33.42 1bs4 s LYS 116 CO 0.00 0.52 1.07 -2.14 1.55 0.00 0.00 175.35 176.36 1bs4 s PRO 117 N -0.68 3.64 0.06 4.03 0.02 -1.26 -0.64 135.00 140.16 1bs4 s PRO 117 Ca 0.29 1.46 -0.17 0.00 0.02 0.00 0.00 61.00 62.59 1bs4 s PRO 117 Cb -0.18 -2.07 0.03 0.00 0.02 0.00 0.00 34.50 32.30 1bs4 s PRO 117 CO 0.17 -0.59 0.40 -0.59 -0.33 0.00 0.00 177.00 176.06 1bs4 s PHE 118 N -1.89 -0.24 0.08 6.54 -0.71 0.31 -4.87 117.98 117.19 1bs4 s PHE 118 Ca 0.69 0.15 0.06 0.00 -1.04 0.00 0.00 56.93 56.79 1bs4 s PHE 118 Cb -0.19 0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 1bs4 s PHE 118 CO 0.23 -0.59 -0.09 -1.21 -1.34 0.00 0.00 175.22 172.22 1bs4 s GLU 119 N -2.69 2.26 -0.10 1.99 2.02 -1.26 -1.39 118.70 119.52 1bs4 s GLU 119 Ca -0.04 -0.94 -0.04 0.00 0.02 0.00 0.00 54.97 53.97 1bs4 s GLU 119 Cb -0.00 -2.36 0.05 0.00 0.10 0.00 0.00 34.13 31.91 1bs4 s GLU 119 CO -0.04 0.53 0.21 -1.17 0.02 0.00 0.00 175.26 174.81 1bs4 s LEU 120 N -2.03 0.27 -0.18 1.80 2.96 -0.37 -5.00 118.68 116.13 1bs4 s LEU 120 Ca 0.21 0.45 -0.08 0.00 -0.22 0.00 0.00 54.13 54.49 1bs4 s LEU 120 Cb -0.11 0.57 -0.04 0.00 0.50 0.00 0.00 46.19 47.10 1bs4 s LEU 120 CO 0.13 -0.19 0.09 -1.61 -1.32 0.00 0.00 176.35 173.45 1bs4 s GLU 121 N 1.62 4.00 0.06 1.98 2.02 -1.26 -0.86 118.70 126.26 1bs4 s GLU 121 Ca -0.05 -0.28 0.04 0.00 0.02 0.00 0.00 54.97 54.69 1bs4 s GLU 121 Cb -0.11 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 1bs4 s GLU 121 CO -0.07 0.33 -0.12 0.00 0.02 0.00 0.00 175.26 175.42 1bs4 s ALA 122 N 0.24 0.94 0.08 5.21 0.00 0.14 -5.01 121.76 123.35 1bs4 s ALA 122 Ca 0.06 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1bs4 s ALA 122 Cb -0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1bs4 s ALA 122 CO -0.00 0.10 0.05 -0.40 0.00 0.00 0.00 175.76 175.51 1bs4 n ASP 123 N 1.44 0.19 0.00 0.00 5.68 -1.26 -1.11 116.55 121.49 1bs4 n ASP 123 Ca -0.21 -1.50 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 1bs4 n ASP 123 Cb 0.54 0.34 0.00 0.00 -1.14 0.00 0.00 41.12 40.86 1bs4 n ASP 123 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bs4 n GLY 124 N 0.38 1.77 0.35 6.12 0.00 -1.23 -2.50 105.19 110.07 1bs4 n GLY 124 Ca 0.01 -0.49 0.04 0.00 0.00 0.00 0.00 46.02 45.58 1bs4 n GLY 124 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bs4 h LEU 125 N 0.00 0.91 -0.14 0.99 6.46 -2.00 -2.82 115.31 118.71 1bs4 h LEU 125 Ca 0.00 0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1bs4 h LEU 125 Cb 0.00 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.76 1bs4 h LEU 125 CO 0.00 0.54 0.07 0.25 -0.62 0.00 0.00 178.44 178.68 1bs4 h LEU 126 N 1.02 0.11 -0.74 2.25 6.46 -1.94 -0.63 115.31 121.84 1bs4 h LEU 126 Ca 0.44 0.00 0.11 0.00 -0.12 0.00 0.00 57.88 58.31 1bs4 h LEU 126 Cb 0.30 -0.02 -0.08 0.00 -0.73 0.00 0.00 40.66 40.13 1bs4 h LEU 126 CO -0.21 0.09 0.35 0.00 -0.62 0.00 0.00 178.44 178.04 1bs4 h ALA 127 N 1.06 1.04 -0.48 1.25 0.00 -1.24 -0.87 119.26 120.02 1bs4 h ALA 127 Ca 0.05 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1bs4 h ALA 127 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1bs4 h ALA 127 CO -0.03 -0.09 -0.19 0.82 0.00 0.00 0.00 179.25 179.76 1bs4 h ILE 128 N 0.57 1.27 -0.46 0.00 2.04 -1.32 -2.31 117.51 117.30 1bs4 h ILE 128 Ca 0.38 -1.35 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 1bs4 h ILE 128 Cb 0.47 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1bs4 h ILE 128 CO -0.31 0.47 0.22 0.00 0.00 0.00 0.00 178.15 178.53 1bs4 h ILE 130 N 0.60 1.23 -0.50 0.00 2.04 -1.10 -1.23 117.51 118.56 1bs4 h ILE 130 Ca 0.16 -0.69 -0.10 0.00 1.00 0.00 0.00 64.86 65.23 1bs4 h ILE 130 Cb 0.11 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1bs4 h ILE 130 CO -0.02 0.28 -0.06 1.56 0.00 0.00 0.00 178.15 179.91 1bs4 h GLN 131 N 0.91 0.92 -0.66 2.37 4.20 -1.15 0.32 115.11 122.02 1bs4 h GLN 131 Ca 0.22 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 1bs4 h GLN 131 Cb 0.17 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1bs4 h GLN 131 CO -0.02 0.98 0.31 1.25 -0.67 0.00 0.00 178.83 180.68 1bs4 h HIS 132 N 0.78 0.96 -0.00 2.96 2.76 -0.95 -1.64 115.15 120.03 1bs4 h HIS 132 Ca 0.13 -0.05 -0.22 0.00 -2.20 0.00 0.00 60.37 58.04 1bs4 h HIS 132 Cb 0.60 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 29.26 1bs4 h HIS 132 CO 0.04 0.72 -0.91 0.93 -1.30 0.00 0.00 177.93 177.42 1bs4 h GLU 133 N 0.92 0.35 0.00 5.26 4.39 -1.02 -3.00 114.58 121.49 1bs4 h GLU 133 Ca 0.23 -0.38 -0.06 0.00 0.34 0.00 0.00 59.36 59.49 1bs4 h GLU 133 Cb 0.13 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1bs4 h GLU 133 CO -0.03 1.06 -0.29 0.52 -1.16 0.00 0.00 179.01 179.11 1bs4 h MET 134 N 0.20 0.00 -0.50 2.33 2.86 -0.80 -2.57 114.93 116.46 1bs4 h MET 134 Ca -0.07 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1bs4 h MET 134 Cb 1.54 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.17 1bs4 h MET 134 CO 0.15 0.29 0.28 -0.44 1.06 0.00 0.00 176.91 178.26 1bs4 h ASP 135 N 0.00 0.61 -0.97 1.22 5.19 -1.16 -2.79 116.42 118.51 1bs4 h ASP 135 Ca -0.00 -0.08 0.21 0.00 -0.62 0.00 0.00 57.03 56.54 1bs4 h ASP 135 Cb 0.52 -0.15 -0.09 0.00 0.18 0.00 0.00 39.33 39.78 1bs4 h ASP 135 CO 0.04 0.51 0.62 0.45 -3.12 0.00 0.00 179.24 177.73 1bs4 h HIS 136 N 0.66 0.79 0.00 4.55 3.86 -1.36 -1.30 115.15 122.35 1bs4 h HIS 136 Ca 0.18 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1bs4 h HIS 136 Cb 0.03 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.26 1bs4 h HIS 136 CO -0.02 0.18 0.00 -0.07 0.86 0.00 0.00 177.93 178.88 1bs4 h LEU 137 N 0.57 0.00 -3.22 2.43 3.38 -1.52 -1.64 115.31 115.31 1bs4 h LEU 137 Ca 0.54 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.48 1bs4 h LEU 137 Cb 1.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1bs4 h LEU 137 CO -0.28 0.00 -0.02 1.33 0.09 0.00 0.00 178.44 179.56 1bs4 n VAL 138 N -2.69 2.26 -0.85 1.22 0.24 -0.62 -0.60 118.33 117.29 1bs4 n VAL 138 Ca 0.02 -2.11 0.00 0.00 -2.04 0.00 0.00 64.34 60.20 1bs4 n VAL 138 Cb 0.31 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 1bs4 n VAL 138 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bs4 n GLY 139 N -0.80 0.49 3.78 7.63 0.00 -0.61 -4.77 105.19 110.91 1bs4 n GLY 139 Ca 0.22 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 1bs4 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bs4 s LYS 140 N -1.50 3.20 0.25 1.61 1.02 -0.59 -4.50 119.74 119.23 1bs4 s LYS 140 Ca 0.00 -0.28 0.11 0.00 0.02 0.00 0.00 55.97 55.82 1bs4 s LYS 140 Cb 0.00 -2.98 -0.05 0.00 -0.52 0.00 0.00 37.83 34.28 1bs4 s LYS 140 CO 0.00 0.74 -0.13 -0.51 -0.92 0.00 0.00 175.35 174.52 1bs4 s LEU 141 N -0.98 2.80 0.48 3.17 1.43 -1.26 -3.15 118.68 121.16 1bs4 s LEU 141 Ca 0.14 -0.85 0.25 0.00 -1.03 0.00 0.00 54.13 52.65 1bs4 s LEU 141 Cb -0.12 -1.35 1.20 0.00 0.03 0.00 0.00 46.19 45.95 1bs4 s LEU 141 CO 0.03 0.04 1.96 2.19 0.23 0.00 0.00 176.35 180.81 1bs4 h PHE 142 N 2.33 0.00 0.00 0.29 -5.15 -1.97 -2.05 116.94 110.38 1bs4 h PHE 142 Ca -0.43 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.33 1bs4 h PHE 142 Cb 1.24 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.41 1bs4 h PHE 142 CO 0.74 0.18 -0.08 0.00 -2.00 0.00 0.00 178.31 177.14 1bs4 h MET 143 N 0.00 0.00 0.00 6.09 -0.00 -1.97 -2.56 114.93 116.49 1bs4 h MET 143 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1bs4 h MET 143 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.12 1bs4 h MET 143 CO 0.02 0.08 0.00 -0.44 -0.00 0.00 0.00 176.91 176.58 1bs4 h ASP 144 N 0.00 0.00 0.60 -0.10 3.32 -1.79 -1.39 116.42 117.07 1bs4 h ASP 144 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1bs4 h ASP 144 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1bs4 h ASP 144 CO 0.01 0.00 -0.22 -1.22 -1.72 0.00 0.00 179.24 176.09 1bs4 n TYR 145 N -2.93 0.00 -3.05 4.55 4.01 -0.96 -4.95 117.16 113.82 1bs4 n TYR 145 Ca -0.03 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.53 1bs4 n TYR 145 Cb 0.07 -0.30 0.02 0.00 -0.31 0.00 0.00 39.34 38.81 1bs4 n TYR 145 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1bs4 s LEU 146 N -2.83 3.50 0.66 7.72 1.43 -0.53 -5.01 118.68 123.64 1bs4 s LEU 146 Ca 0.18 -0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 52.58 1bs4 s LEU 146 Cb 0.19 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 44.04 1bs4 s LEU 146 CO 0.57 -0.90 1.12 -0.94 0.23 0.00 0.00 176.35 176.44 1bs4 s SER 147 N -4.41 5.03 0.42 2.29 1.04 -1.26 -4.76 113.70 112.04 1bs4 s SER 147 Ca 0.56 2.06 0.18 0.00 0.48 0.00 0.00 55.95 59.23 1bs4 s SER 147 Cb -0.09 -2.56 1.09 0.00 0.10 0.00 0.00 66.02 64.56 1bs4 s SER 147 CO 0.34 -1.69 1.87 -0.65 0.98 0.00 0.00 173.24 174.09 1bs4 h PRO 148 N 0.07 0.39 -0.33 4.02 0.11 -1.98 0.13 132.00 134.42 1bs4 h PRO 148 Ca -0.47 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.46 1bs4 h PRO 148 Cb 1.25 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1bs4 h PRO 148 CO 0.54 0.26 -0.39 -0.07 -0.21 0.00 0.00 178.00 178.12 1bs4 h LEU 149 N 0.40 0.91 -0.70 2.35 -0.00 -2.00 -2.06 115.31 114.21 1bs4 h LEU 149 Ca 0.45 -0.49 -0.11 0.00 -0.00 0.00 0.00 57.88 57.73 1bs4 h LEU 149 Cb 1.11 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 41.50 1bs4 h LEU 149 CO -0.16 1.21 -0.21 0.50 -0.00 0.00 0.00 178.44 179.78 1bs4 h LYS 150 N 0.63 0.78 -0.11 1.13 1.63 -1.59 -2.56 116.57 116.47 1bs4 h LYS 150 Ca 0.04 -0.31 -0.01 0.00 -0.85 0.00 0.00 60.65 59.52 1bs4 h LYS 150 Cb 0.98 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.57 1bs4 h LYS 150 CO 0.09 0.92 0.02 1.96 -3.45 0.00 0.00 179.45 178.99 1bs4 h GLN 151 N 0.68 0.18 -0.63 1.90 4.20 -0.92 -1.65 115.11 118.87 1bs4 h GLN 151 Ca 0.10 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.80 1bs4 h GLN 151 Cb 0.72 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.43 1bs4 h GLN 151 CO 0.06 0.38 0.37 0.37 -0.67 0.00 0.00 178.83 179.34 1bs4 h GLN 152 N -0.05 0.69 -0.68 1.46 4.15 -1.39 -1.21 115.11 118.09 1bs4 h GLN 152 Ca 0.03 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 1bs4 h GLN 152 Cb 0.29 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 1bs4 h GLN 152 CO 0.00 0.46 0.29 -0.09 -1.93 0.00 0.00 178.83 177.56 1bs4 h ARG 153 N 0.71 0.99 -0.01 1.69 2.43 -1.35 -1.75 114.38 117.10 1bs4 h ARG 153 Ca 0.27 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1bs4 h ARG 153 Cb 0.09 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1bs4 h ARG 153 CO -0.13 0.80 -0.00 0.82 -1.51 0.00 0.00 179.97 179.94 1bs4 h ILE 154 N 0.98 1.26 -0.55 1.20 2.04 -1.01 -2.52 117.51 118.90 1bs4 h ILE 154 Ca 0.23 -0.76 0.11 0.00 1.00 0.00 0.00 64.86 65.45 1bs4 h ILE 154 Cb 0.16 1.75 -0.11 0.00 -0.74 0.00 0.00 36.82 37.89 1bs4 h ILE 154 CO -0.02 0.20 -0.15 0.03 0.00 0.00 0.00 178.15 178.20 1bs4 h ARG 155 N -0.30 -0.02 -0.63 2.37 3.08 -1.16 -1.86 114.38 115.86 1bs4 h ARG 155 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1bs4 h ARG 155 Cb 0.32 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 1bs4 h ARG 155 CO 0.00 -0.01 0.24 1.96 -1.07 0.00 0.00 179.97 181.09 1bs4 h GLN 156 N -0.02 0.95 -0.38 0.04 4.20 -1.36 -0.82 115.11 117.71 1bs4 h GLN 156 Ca 0.26 -0.18 0.07 0.00 0.06 0.00 0.00 58.65 58.86 1bs4 h GLN 156 Cb 0.42 -0.15 -0.06 0.00 0.30 0.00 0.00 27.48 27.99 1bs4 h GLN 156 CO -0.58 0.81 0.02 0.87 -0.67 0.00 0.00 178.83 179.28 1bs4 h LYS 157 N 0.88 0.12 -0.30 1.46 6.56 -0.98 -1.16 116.57 123.15 1bs4 h LYS 157 Ca 0.21 -0.01 -0.10 0.00 -1.06 0.00 0.00 60.65 59.69 1bs4 h LYS 157 Cb 0.23 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.85 1bs4 h LYS 157 CO -0.01 0.08 -0.21 0.28 -2.06 0.00 0.00 179.45 177.53 1bs4 h VAL 158 N 0.13 1.30 -0.72 0.50 2.07 -0.96 -1.69 116.25 116.87 1bs4 h VAL 158 Ca 0.19 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 1bs4 h VAL 158 Cb 0.25 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1bs4 h VAL 158 CO -0.29 0.43 0.35 -0.33 0.02 0.00 0.00 177.57 177.75 1bs4 h GLU 159 N 0.42 1.02 -0.40 1.57 5.08 -1.05 -0.58 114.58 120.63 1bs4 h GLU 159 Ca 0.06 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1bs4 h GLU 159 Cb 0.75 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1bs4 h GLU 159 CO 0.06 0.78 -0.25 -0.22 -1.00 0.00 0.00 179.01 178.38 1bs4 h LYS 160 N 1.02 0.84 -0.55 2.33 3.64 -1.04 -1.66 116.57 121.14 1bs4 h LYS 160 Ca 0.25 -0.36 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 1bs4 h LYS 160 Cb 0.10 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1bs4 h LYS 160 CO -0.03 0.99 0.00 1.25 -2.27 0.00 0.00 179.45 179.39 1bs4 h LEU 161 N 0.72 0.95 -0.82 5.20 5.85 -0.60 -2.31 115.31 124.29 1bs4 h LEU 161 Ca 0.09 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 1bs4 h LEU 161 Cb 0.79 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1bs4 h LEU 161 CO 0.07 1.02 -0.24 0.44 -0.34 0.00 0.00 178.44 179.39 1bs4 h ASP 162 N 0.85 0.00 -0.02 1.25 3.32 -1.05 -1.23 116.42 119.54 1bs4 h ASP 162 Ca 0.16 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.98 1bs4 h ASP 162 Cb 0.53 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.09 1bs4 h ASP 162 CO 0.03 0.24 -0.81 -0.09 -1.72 0.00 0.00 179.24 176.89 1bs4 h ARG 163 N 0.00 0.69 0.14 3.56 2.43 -1.13 -1.89 114.38 118.18 1bs4 h ARG 163 Ca -0.00 -0.59 -0.28 0.00 -0.81 0.00 0.00 59.98 58.30 1bs4 h ARG 163 Cb 0.87 0.13 0.03 0.00 -0.42 0.00 0.00 29.97 30.59 1bs4 h ARG 163 CO 0.03 1.20 -1.18 -0.07 -1.51 0.00 0.00 179.97 178.44 1bs4 h LEU 164 N 0.46 0.79 -0.52 3.80 4.07 -1.29 -3.34 115.31 119.26 1bs4 h LEU 164 Ca -0.06 -0.86 -0.05 0.00 0.08 0.00 0.00 57.88 56.99 1bs4 h LEU 164 Cb 1.44 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.90 1bs4 h LEU 164 CO 0.16 1.57 0.13 0.11 -1.08 0.00 0.00 178.44 179.34 1bs4 h LYS 165 N 0.12 0.84 -6.10 1.13 1.57 -1.22 -3.28 116.57 109.63 1bs4 h LYS 165 Ca -0.19 -0.20 -0.52 0.00 -1.87 0.00 0.00 60.65 57.87 1bs4 h LYS 165 Cb 1.88 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 34.04 1bs4 h LYS 165 CO 0.22 0.79 1.30 0.00 -0.57 0.00 0.00 179.45 181.20 1bs4 s ALA 166 N -5.32 2.39 -0.06 3.86 0.00 -0.71 -4.86 121.76 117.06 1bs4 s ALA 166 Ca -0.13 -0.52 -0.02 0.00 0.00 0.00 0.00 51.96 51.29 1bs4 s ALA 166 Cb 0.12 -4.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.00 1bs4 s ALA 166 CO 0.80 -3.53 -0.05 -0.09 0.00 0.00 0.00 175.76 172.89 1bs4 h ARG 167 N 13.93 0.00 0.00 0.00 9.65 -1.81 -3.45 114.38 132.71 1bs4 h ARG 167 Ca -0.27 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.61 1bs4 h ARG 167 Cb 1.15 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 1bs4 h ARG 167 CO 1.18 0.00 0.00 0.00 2.80 0.00 0.00 179.97 183.95