#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bs4 n GLY 2 N 0.00 0.87 0.00 -5.12 0.00 -1.24 -5.02 105.19 94.68 2bs4 n GLY 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bs4 n GLY 2 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2bs4 n ARG 3 N -0.75 0.00 -2.76 1.61 1.85 -1.26 -4.51 116.66 110.84 2bs4 n ARG 3 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 2bs4 n ARG 3 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 2bs4 n ARG 3 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 2bs4 s MET 4 N -4.99 4.33 -0.14 2.89 -1.94 -1.26 -0.79 119.30 117.40 2bs4 s MET 4 Ca 0.00 1.24 -0.11 0.00 -1.71 0.00 0.00 55.69 55.11 2bs4 s MET 4 Cb 0.00 -3.58 -0.05 0.00 2.01 0.00 0.00 34.83 33.21 2bs4 s MET 4 CO 0.00 -0.40 0.21 -0.51 -0.01 0.00 0.00 175.02 174.32 2bs4 s LEU 5 N 2.36 4.30 -0.30 -0.03 1.43 0.27 -4.82 118.68 121.90 2bs4 s LEU 5 Ca 0.43 0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 53.87 2bs4 s LEU 5 Cb -0.17 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 2bs4 s LEU 5 CO 0.13 0.24 0.28 -0.89 0.23 0.00 0.00 176.35 176.34 2bs4 s THR 6 N -0.19 5.24 -0.41 5.49 2.01 0.37 -1.72 115.64 126.43 2bs4 s THR 6 Ca 0.14 0.19 -0.09 0.00 0.31 0.00 0.00 61.69 62.25 2bs4 s THR 6 Cb -0.13 -3.66 0.08 0.00 0.01 0.00 0.00 72.50 68.81 2bs4 s THR 6 CO 0.03 0.12 0.25 -0.63 -0.69 0.00 0.00 174.62 173.70 2bs4 s ILE 7 N 1.88 4.14 -0.24 1.82 -1.09 0.08 -1.48 121.20 126.31 2bs4 s ILE 7 Ca 0.10 -1.42 -0.18 0.00 -2.23 0.00 0.00 60.65 56.91 2bs4 s ILE 7 Cb -0.16 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 2bs4 s ILE 7 CO 0.11 -0.50 0.53 -0.13 -1.23 0.00 0.00 174.94 173.72 2bs4 s ARG 8 N 1.41 4.12 -0.07 2.79 0.52 -0.23 -1.21 118.95 126.27 2bs4 s ARG 8 Ca 0.03 0.38 0.05 0.00 -0.52 0.00 0.00 55.73 55.67 2bs4 s ARG 8 Cb -0.23 -3.62 -0.01 0.00 0.52 0.00 0.00 34.95 31.62 2bs4 s ARG 8 CO 0.02 -0.28 -0.24 0.08 0.02 0.00 0.00 175.30 174.90 2bs4 s VAL 9 N 2.07 2.01 0.03 3.52 1.01 0.16 -0.41 120.40 128.78 2bs4 s VAL 9 Ca 0.23 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 2bs4 s VAL 9 Cb -0.16 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 2bs4 s VAL 9 CO 0.09 0.55 1.19 0.12 0.00 0.00 0.00 175.10 177.06 2bs4 s PHE 10 N 0.05 3.37 -0.03 5.22 5.36 -0.71 -0.78 117.98 130.46 2bs4 s PHE 10 Ca -0.10 1.29 0.03 0.00 -0.96 0.00 0.00 56.93 57.19 2bs4 s PHE 10 Cb -0.15 -3.41 0.00 0.00 -0.34 0.00 0.00 43.02 39.12 2bs4 s PHE 10 CO 0.06 -1.24 -0.11 0.15 -1.46 0.00 0.00 175.22 172.62 2bs4 s LYS 11 N 1.38 1.19 -0.30 10.12 1.02 0.08 -4.30 119.74 128.93 2bs4 s LYS 11 Ca 0.58 -0.36 -0.16 0.00 0.02 0.00 0.00 55.97 56.04 2bs4 s LYS 11 Cb -0.28 -1.07 0.17 0.00 -0.52 0.00 0.00 37.83 36.13 2bs4 s LYS 11 CO 0.27 0.12 1.05 -0.47 -0.92 0.00 0.00 175.35 175.40 2bs4 s TYR 12 N 0.25 -0.50 -0.54 3.18 5.04 -1.26 -2.37 117.35 121.14 2bs4 s TYR 12 Ca -0.05 0.93 -0.04 0.00 -2.44 0.00 0.00 57.07 55.48 2bs4 s TYR 12 Cb -0.10 0.30 0.14 0.00 0.35 0.00 0.00 41.96 42.65 2bs4 s TYR 12 CO 0.01 -0.25 0.36 0.34 -1.34 0.00 0.00 175.55 174.67 2bs4 s ASP 13 N 1.77 5.31 0.57 4.32 -1.08 -1.26 -1.74 116.67 124.55 2bs4 s ASP 13 Ca -0.06 -2.50 0.38 0.00 -0.52 0.00 0.00 52.55 49.85 2bs4 s ASP 13 Cb -0.04 -1.86 2.02 0.00 -1.46 0.00 0.00 42.92 41.58 2bs4 s ASP 13 CO -0.15 -0.46 2.16 1.55 0.52 0.00 0.00 175.17 178.79 2bs4 h PRO 14 N 7.49 0.00 -0.00 4.34 0.13 -1.91 -1.27 132.00 140.78 2bs4 h PRO 14 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2bs4 h PRO 14 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2bs4 h PRO 14 CO 0.72 0.00 -0.06 1.04 -0.23 0.00 0.00 178.00 179.47 2bs4 n GLN 15 N -2.87 0.87 -4.28 0.86 6.02 -1.26 -4.73 117.38 111.99 2bs4 n GLN 15 Ca -0.02 -0.25 -0.34 0.00 -0.01 0.00 0.00 57.00 56.37 2bs4 n GLN 15 Cb 0.09 -1.49 -0.13 0.00 1.02 0.00 0.00 30.24 29.72 2bs4 n GLN 15 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2bs4 s SER 16 N -2.30 4.41 0.43 1.08 0.15 -0.48 -5.00 113.70 111.98 2bs4 s SER 16 Ca 0.35 -0.29 0.15 0.00 0.70 0.00 0.00 55.95 56.86 2bs4 s SER 16 Cb 0.21 -1.73 0.95 0.00 -1.71 0.00 0.00 66.02 63.74 2bs4 s SER 16 CO 0.43 0.09 1.95 0.00 1.20 0.00 0.00 173.24 176.90 2bs4 h ALA 17 N 7.32 1.56 -0.00 5.45 0.00 -1.85 -2.80 119.26 128.94 2bs4 h ALA 17 Ca -0.34 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2bs4 h ALA 17 Cb 1.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2bs4 h ALA 17 CO 0.60 0.30 -0.22 1.33 0.00 0.00 0.00 179.25 181.25 2bs4 n VAL 18 N -4.19 0.00 -2.98 0.00 0.24 -1.26 -4.90 118.33 105.24 2bs4 n VAL 18 Ca -0.02 -0.06 -0.36 0.00 -2.04 0.00 0.00 64.34 61.86 2bs4 n VAL 18 Cb 0.30 0.09 -0.06 0.00 -1.47 0.00 0.00 33.84 32.70 2bs4 n VAL 18 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2bs4 s SER 19 N -2.64 7.10 0.01 -1.34 0.15 -1.06 -5.07 113.70 110.85 2bs4 s SER 19 Ca 0.22 1.56 0.00 0.00 0.70 0.00 0.00 55.95 58.43 2bs4 s SER 19 Cb 0.19 -2.47 -0.01 0.00 -1.71 0.00 0.00 66.02 62.02 2bs4 s SER 19 CO 0.54 -0.07 -0.02 -1.59 1.20 0.00 0.00 173.24 173.31 2bs4 s LYS 20 N -2.25 0.16 0.16 5.44 -2.85 -1.26 -4.87 119.74 114.26 2bs4 s LYS 20 Ca 0.48 -0.31 -0.33 0.00 -1.00 0.00 0.00 55.97 54.82 2bs4 s LYS 20 Cb -0.16 0.05 -0.13 0.00 -2.06 0.00 0.00 37.83 35.54 2bs4 s LYS 20 CO 0.21 -0.02 1.67 -0.35 0.10 0.00 0.00 175.35 176.95 2bs4 n PRO 21 N 2.33 2.42 -3.80 1.78 -0.04 -1.26 -4.72 135.00 131.72 2bs4 n PRO 21 Ca -0.18 0.87 -0.05 0.00 -0.04 0.00 0.00 63.50 64.11 2bs4 n PRO 21 Cb 0.57 -2.69 -0.01 0.00 -0.04 0.00 0.00 33.50 31.34 2bs4 n PRO 21 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2bs4 s HIS 22 N 1.40 -0.11 0.21 0.54 -3.43 -1.00 -5.03 115.29 107.87 2bs4 s HIS 22 Ca 0.79 -0.27 0.07 0.00 -0.80 0.00 0.00 55.06 54.85 2bs4 s HIS 22 Cb -0.60 0.67 -0.04 0.00 -1.43 0.00 0.00 32.58 31.18 2bs4 s HIS 22 CO 0.37 -0.98 0.09 -0.06 -2.00 0.00 0.00 174.74 172.16 2bs4 s PHE 23 N -3.26 2.98 0.00 0.38 0.08 -1.26 -0.75 117.98 116.15 2bs4 s PHE 23 Ca 0.13 -0.11 0.01 0.00 0.12 0.00 0.00 56.93 57.08 2bs4 s PHE 23 Cb -0.03 -1.39 -0.01 0.00 -0.57 0.00 0.00 43.02 41.03 2bs4 s PHE 23 CO 0.04 0.54 -0.04 -1.14 -0.10 0.00 0.00 175.22 174.52 2bs4 s GLN 24 N -3.38 0.32 0.04 0.44 0.74 0.04 -4.92 119.66 112.93 2bs4 s GLN 24 Ca 0.31 -0.21 0.04 0.00 0.05 0.00 0.00 55.36 55.55 2bs4 s GLN 24 Cb -0.09 -0.28 -0.04 0.00 1.10 0.00 0.00 33.01 33.71 2bs4 s GLN 24 CO 0.22 0.07 -0.05 -1.21 -0.55 0.00 0.00 175.29 173.77 2bs4 s GLU 25 N -0.29 2.49 0.06 1.67 2.02 -1.26 0.40 118.70 123.80 2bs4 s GLU 25 Ca -0.00 -0.79 0.04 0.00 0.02 0.00 0.00 54.97 54.23 2bs4 s GLU 25 Cb -0.03 -2.49 -0.03 0.00 0.10 0.00 0.00 34.13 31.69 2bs4 s GLU 25 CO -0.00 0.57 -0.11 0.71 0.02 0.00 0.00 175.26 176.45 2bs4 s TYR 26 N -1.11 0.98 -0.37 1.61 1.51 -0.35 -4.94 117.35 114.68 2bs4 s TYR 26 Ca 0.20 -0.47 -0.05 0.00 -1.01 0.00 0.00 57.07 55.74 2bs4 s TYR 26 Cb -0.11 -0.56 0.07 0.00 -0.11 0.00 0.00 41.96 41.25 2bs4 s TYR 26 CO 0.11 -0.00 0.15 0.15 -1.11 0.00 0.00 175.55 174.85 2bs4 s LYS 27 N -1.65 2.39 -0.02 -0.62 -0.14 -1.26 -0.74 119.74 117.69 2bs4 s LYS 27 Ca -0.05 -1.46 0.04 0.00 -1.36 0.00 0.00 55.97 53.14 2bs4 s LYS 27 Cb -0.10 -3.51 -0.03 0.00 -1.68 0.00 0.00 37.83 32.51 2bs4 s LYS 27 CO 0.01 -0.85 -0.14 0.42 -0.76 0.00 0.00 175.35 174.03 2bs4 s ILE 28 N 1.29 3.05 -0.26 2.17 -1.09 -0.70 -4.94 121.20 120.72 2bs4 s ILE 28 Ca 0.02 -0.84 -0.16 0.00 -2.23 0.00 0.00 60.65 57.44 2bs4 s ILE 28 Cb -0.21 -2.23 -0.03 0.00 -1.58 0.00 0.00 42.46 38.40 2bs4 s ILE 28 CO -0.00 0.51 0.44 -0.70 -1.23 0.00 0.00 174.94 173.95 2bs4 s GLU 29 N -0.97 4.04 0.56 2.79 2.12 -1.26 0.94 118.70 126.93 2bs4 s GLU 29 Ca 0.13 0.17 -0.20 0.00 0.36 0.00 0.00 54.97 55.43 2bs4 s GLU 29 Cb -0.11 -3.65 -0.06 0.00 0.26 0.00 0.00 34.13 30.57 2bs4 s GLU 29 CO 0.02 -0.31 0.99 -1.91 -0.54 0.00 0.00 175.26 173.51 2bs4 n GLU 30 N 5.41 1.05 -4.27 4.30 2.13 0.03 -4.82 120.64 124.47 2bs4 n GLU 30 Ca -0.06 0.40 -0.15 0.00 0.66 0.00 0.00 57.16 58.00 2bs4 n GLU 30 Cb 0.50 -2.16 -0.10 0.00 0.27 0.00 0.00 31.44 29.95 2bs4 n GLU 30 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2bs4 s ALA 31 N -1.46 1.49 0.29 4.31 0.00 -1.26 -3.60 121.76 121.53 2bs4 s ALA 31 Ca 0.72 -1.75 -0.29 0.00 0.00 0.00 0.00 51.96 50.64 2bs4 s ALA 31 Cb -0.44 0.96 -0.10 0.00 0.00 0.00 0.00 23.12 23.53 2bs4 s ALA 31 CO 0.50 -0.44 1.44 -2.14 0.00 0.00 0.00 175.76 175.11 2bs4 s PRO 32 N -4.02 4.24 -1.31 0.00 0.02 -1.26 -2.60 135.00 130.07 2bs4 s PRO 32 Ca 0.34 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.72 2bs4 s PRO 32 Cb 0.07 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.52 2bs4 s PRO 32 CO 0.10 -0.42 0.00 0.43 -0.33 0.00 0.00 177.00 176.78 2bs4 n SER 33 N 1.72 -4.58 -4.73 2.53 7.64 -1.26 -4.91 113.62 110.03 2bs4 n SER 33 Ca 0.05 0.13 -0.41 0.00 1.01 0.00 0.00 58.87 59.64 2bs4 n SER 33 Cb 0.40 -3.86 -0.03 0.00 -1.01 0.00 0.00 64.21 59.71 2bs4 n SER 33 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2bs4 s MET 34 N -5.01 4.44 0.43 1.43 0.00 -1.07 -5.01 119.30 114.51 2bs4 s MET 34 Ca 0.00 1.94 0.06 0.00 0.00 0.00 0.00 55.69 57.69 2bs4 s MET 34 Cb 0.00 -3.23 -0.05 0.00 0.00 0.00 0.00 34.83 31.55 2bs4 s MET 34 CO 0.00 -0.18 0.13 0.95 0.00 0.00 0.00 175.02 175.92 2bs4 s THR 35 N 0.16 2.03 0.10 10.11 -4.23 -1.26 -2.11 115.64 120.44 2bs4 s THR 35 Ca 0.55 -1.80 0.25 0.00 -1.18 0.00 0.00 61.69 59.51 2bs4 s THR 35 Cb -0.34 -2.83 0.25 0.00 1.34 0.00 0.00 72.50 70.92 2bs4 s THR 35 CO 0.36 0.00 1.82 0.40 -0.54 0.00 0.00 174.62 176.66 2bs4 h ILE 36 N 1.46 0.49 0.30 2.99 1.08 -1.14 -2.27 117.51 120.42 2bs4 h ILE 36 Ca -0.43 -1.10 -0.01 0.00 -0.39 0.00 0.00 64.86 62.93 2bs4 h ILE 36 Cb 1.26 1.77 0.00 0.00 -3.07 0.00 0.00 36.82 36.79 2bs4 h ILE 36 CO 0.73 0.20 -0.14 0.15 -0.69 0.00 0.00 178.15 178.40 2bs4 h PHE 37 N 0.00 -0.37 -0.24 1.37 3.57 -1.83 -0.44 116.94 118.99 2bs4 h PHE 37 Ca -0.00 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.54 2bs4 h PHE 37 Cb 0.76 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.57 2bs4 h PHE 37 CO 0.00 -0.18 -0.09 0.82 -2.23 0.00 0.00 178.31 176.63 2bs4 h ILE 38 N -0.48 0.69 0.14 1.41 1.08 -1.88 -1.98 117.51 116.49 2bs4 h ILE 38 Ca -0.04 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.45 2bs4 h ILE 38 Cb 0.36 0.69 -0.04 0.00 -3.07 0.00 0.00 36.82 34.76 2bs4 h ILE 38 CO 0.07 0.00 -0.30 0.58 -0.69 0.00 0.00 178.15 177.81 2bs4 h VAL 39 N -0.05 0.36 -0.90 1.67 2.07 -1.23 -0.27 116.25 117.90 2bs4 h VAL 39 Ca 0.12 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.71 2bs4 h VAL 39 Cb 0.23 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 2bs4 h VAL 39 CO -0.27 0.00 0.59 -0.07 0.02 0.00 0.00 177.57 177.83 2bs4 h LEU 40 N -0.53 0.90 -0.77 2.57 3.38 -0.91 -0.05 115.31 119.89 2bs4 h LEU 40 Ca 0.03 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2bs4 h LEU 40 Cb 0.55 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2bs4 h LEU 40 CO -0.16 0.57 -0.52 0.78 0.09 0.00 0.00 178.44 179.20 2bs4 h ASN 41 N 1.01 0.27 0.08 -0.43 2.35 -0.98 -0.37 115.58 117.52 2bs4 h ASN 41 Ca 0.39 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2bs4 h ASN 41 Cb 0.22 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.52 2bs4 h ASN 41 CO -0.15 0.75 -0.04 0.24 -1.65 0.00 0.00 177.43 176.58 2bs4 h MET 42 N 0.19 -0.11 -0.83 0.81 2.86 0.27 -1.54 114.93 116.59 2bs4 h MET 42 Ca 0.00 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.71 2bs4 h MET 42 Cb 0.99 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.61 2bs4 h MET 42 CO 0.08 0.07 0.51 0.82 1.06 0.00 0.00 176.91 179.45 2bs4 h ILE 43 N -0.27 1.03 0.49 -1.22 2.04 -0.91 -1.62 117.51 117.04 2bs4 h ILE 43 Ca -0.01 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 2bs4 h ILE 43 Cb 0.23 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2bs4 h ILE 43 CO 0.02 0.17 -0.23 -0.09 0.00 0.00 0.00 178.15 178.01 2bs4 h ARG 44 N 0.93 -0.63 0.00 2.37 2.43 -0.84 0.34 114.38 118.98 2bs4 h ARG 44 Ca 0.36 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 2bs4 h ARG 44 Cb 0.17 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2bs4 h ARG 44 CO -0.17 -0.37 0.00 0.39 -1.51 0.00 0.00 179.97 178.31 2bs4 n GLU 45 N -5.33 0.18 0.00 0.20 1.02 -0.60 -2.89 120.64 113.22 2bs4 n GLU 45 Ca -0.12 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 2bs4 n GLU 45 Cb 0.30 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 2bs4 n GLU 45 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2bs4 n THR 46 N -2.13 0.00 -0.01 2.62 -2.24 -0.62 -4.97 114.28 106.93 2bs4 n THR 46 Ca 0.03 -0.04 -0.01 0.00 -2.27 0.00 0.00 64.05 61.76 2bs4 n THR 46 Cb 0.27 0.42 -0.01 0.00 -2.10 0.00 0.00 70.33 68.91 2bs4 n THR 46 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2bs4 n TYR 47 N -0.31 0.00 -3.21 4.78 4.02 -0.03 -5.03 117.16 117.38 2bs4 n TYR 47 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2bs4 n TYR 47 Cb 0.00 -0.07 -0.01 0.00 -0.02 0.00 0.00 39.34 39.24 2bs4 n TYR 47 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2bs4 s ASP 48 N -4.39 -1.33 0.00 7.72 2.15 0.10 -4.99 116.67 115.93 2bs4 s ASP 48 Ca -0.02 -0.69 0.00 0.00 0.43 0.00 0.00 52.55 52.26 2bs4 s ASP 48 Cb 0.01 1.86 0.00 0.00 -0.30 0.00 0.00 42.92 44.49 2bs4 s ASP 48 CO 0.04 -0.20 0.47 -0.81 -0.17 0.00 0.00 175.17 174.50 2bs4 n PRO 49 N 4.57 0.66 0.03 4.34 -0.04 -1.14 -2.90 135.00 140.51 2bs4 n PRO 49 Ca 0.10 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.35 2bs4 n PRO 49 Cb 0.56 -1.19 -0.14 0.00 -0.04 0.00 0.00 33.50 32.69 2bs4 n PRO 49 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2bs4 h ASP 50 N 0.19 0.45 -1.77 3.54 3.58 -1.93 -3.48 116.42 117.00 2bs4 h ASP 50 Ca 0.00 -0.88 -0.68 0.00 0.42 0.00 0.00 57.03 55.89 2bs4 h ASP 50 Cb 0.19 -0.15 0.03 0.00 1.72 0.00 0.00 39.33 41.12 2bs4 h ASP 50 CO 0.00 1.77 0.86 -0.11 -2.88 0.00 0.00 179.24 178.88 2bs4 n LEU 51 N -3.49 2.59 -4.80 2.28 7.94 -1.14 -4.98 117.00 115.40 2bs4 n LEU 51 Ca -0.28 1.06 -0.37 0.00 -1.11 0.00 0.00 56.01 55.31 2bs4 n LEU 51 Cb 1.06 -1.24 -0.07 0.00 0.53 0.00 0.00 43.42 43.70 2bs4 n LEU 51 CO 0.46 -0.44 -0.08 0.20 -1.11 0.00 0.00 177.39 176.42 2bs4 s ASN 52 N 2.81 6.44 -0.04 1.96 -0.87 -1.26 -4.99 114.94 118.98 2bs4 s ASN 52 Ca 0.92 0.52 -0.29 0.00 -1.57 0.00 0.00 52.86 52.43 2bs4 s ASN 52 Cb -0.91 -2.14 0.09 0.00 -0.02 0.00 0.00 41.25 38.27 2bs4 s ASN 52 CO 0.55 0.26 0.77 0.72 -2.57 0.00 0.00 177.10 176.83 2bs4 s PHE 53 N -0.34 -0.54 -0.27 2.20 -0.12 -1.26 -2.03 117.98 115.62 2bs4 s PHE 53 Ca 0.16 0.82 -0.04 0.00 -0.05 0.00 0.00 56.93 57.81 2bs4 s PHE 53 Cb -0.13 0.45 0.02 0.00 -0.63 0.00 0.00 43.02 42.73 2bs4 s PHE 53 CO 0.04 -0.57 0.01 -0.51 -0.05 0.00 0.00 175.22 174.14 2bs4 s ASP 54 N -1.50 4.72 0.06 1.98 1.01 -1.26 -4.96 116.67 116.73 2bs4 s ASP 54 Ca -0.06 -0.77 0.06 0.00 0.71 0.00 0.00 52.55 52.49 2bs4 s ASP 54 Cb -0.00 -1.78 -0.03 0.00 1.01 0.00 0.00 42.92 42.12 2bs4 s ASP 54 CO 0.03 -0.15 -0.17 -0.36 0.21 0.00 0.00 175.17 174.73 2bs4 s PHE 55 N 1.42 1.45 0.00 4.23 0.08 -1.26 -3.10 117.98 120.79 2bs4 s PHE 55 Ca 0.02 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.67 2bs4 s PHE 55 Cb -0.17 -0.83 0.00 0.00 -0.57 0.00 0.00 43.02 41.45 2bs4 s PHE 55 CO -0.01 0.09 0.00 0.28 -0.10 0.00 0.00 175.22 175.48 2bs4 n VAL 56 N 1.57 0.00 0.16 -0.44 0.31 -1.26 -4.95 118.33 113.72 2bs4 n VAL 56 Ca -0.19 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.18 2bs4 n VAL 56 Cb 0.54 -0.07 0.12 0.00 -0.91 0.00 0.00 33.84 33.51 2bs4 n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bs4 n ARG 58 N -3.28 -1.51 -0.93 0.00 -4.01 -1.26 -4.76 116.66 100.91 2bs4 n ARG 58 Ca 0.01 0.57 0.04 0.00 -1.04 0.00 0.00 57.85 57.44 2bs4 n ARG 58 Cb 0.67 -4.85 0.08 0.00 -3.04 0.00 0.00 32.46 25.31 2bs4 n ARG 58 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2bs4 n ALA 59 N -0.46 2.61 -2.00 2.89 0.00 -1.26 -4.87 120.51 117.43 2bs4 n ALA 59 Ca -0.11 -2.37 -0.18 0.00 0.00 0.00 0.00 53.44 50.79 2bs4 n ALA 59 Cb 0.40 -0.56 -0.04 0.00 0.00 0.00 0.00 19.45 19.25 2bs4 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bs4 n GLY 60 N -0.22 0.51 0.09 0.00 0.00 -1.26 -4.86 105.19 99.45 2bs4 n GLY 60 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 2bs4 n GLY 60 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2bs4 n ILE 61 N -3.04 0.93 0.10 -0.61 5.41 -1.26 -4.76 119.36 116.12 2bs4 n ILE 61 Ca -0.20 -0.35 0.01 0.00 1.00 0.00 0.00 62.75 63.21 2bs4 n ILE 61 Cb 0.63 -1.09 -0.02 0.00 -0.71 0.00 0.00 39.64 38.45 2bs4 n ILE 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2bs4 n GLY 63 N 1.29 0.28 0.12 0.00 0.00 -1.26 -4.73 105.19 100.89 2bs4 n GLY 63 Ca -0.02 -0.77 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 2bs4 n GLY 63 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2bs4 h SER 64 N -0.01 0.34 -0.31 1.61 0.87 -1.88 -3.37 113.55 110.80 2bs4 h SER 64 Ca -0.06 -0.62 -0.08 0.00 -1.23 0.00 0.00 61.79 59.80 2bs4 h SER 64 Cb 1.05 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.85 2bs4 h SER 64 CO 0.08 1.54 0.10 0.00 -0.53 0.00 0.00 176.83 178.02 2bs4 s GLY 66 N -0.18 2.04 0.26 0.00 0.00 -1.26 -1.73 107.32 106.44 2bs4 s GLY 66 Ca 0.23 1.34 -0.22 0.00 0.00 0.00 0.00 44.72 46.08 2bs4 s GLY 66 CO 0.06 2.41 0.74 -3.16 0.00 0.00 0.00 173.10 173.15 2bs4 s MET 67 N 0.20 1.68 -0.33 2.90 0.23 -0.64 -4.47 119.30 118.87 2bs4 s MET 67 Ca 0.63 -0.91 -0.24 0.00 -1.03 0.00 0.00 55.69 54.14 2bs4 s MET 67 Cb -0.42 0.58 0.01 0.00 -1.53 0.00 0.00 34.83 33.47 2bs4 s MET 67 CO 0.39 -0.77 0.83 -1.64 -2.03 0.00 0.00 175.02 171.80 2bs4 s MET 68 N -3.83 3.89 -0.44 3.16 -1.94 0.41 -0.69 119.30 119.86 2bs4 s MET 68 Ca 0.10 0.53 -0.02 0.00 -1.71 0.00 0.00 55.69 54.60 2bs4 s MET 68 Cb -0.05 -3.77 0.12 0.00 2.01 0.00 0.00 34.83 33.14 2bs4 s MET 68 CO 0.05 -0.79 0.22 0.42 -0.01 0.00 0.00 175.02 174.91 2bs4 s ILE 69 N 3.13 3.21 -1.09 2.53 1.01 -0.60 -1.34 121.20 128.06 2bs4 s ILE 69 Ca 0.34 -2.27 -0.03 0.00 0.00 0.00 0.00 60.65 58.69 2bs4 s ILE 69 Cb -0.13 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.14 2bs4 s ILE 69 CO 0.15 -0.71 0.93 0.59 0.00 0.00 0.00 174.94 175.89 2bs4 n ASN 70 N 4.34 -3.53 0.00 3.58 4.13 -0.40 -3.07 115.26 120.31 2bs4 n ASN 70 Ca 0.00 -0.51 0.00 0.00 1.68 0.00 0.00 54.58 55.76 2bs4 n ASN 70 Cb 0.41 -4.45 0.00 0.00 -1.54 0.00 0.00 39.78 34.19 2bs4 n ASN 70 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bs4 n GLY 71 N -1.39 1.59 3.23 7.41 0.00 -1.26 -5.03 105.19 109.74 2bs4 n GLY 71 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 2bs4 n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bs4 s ARG 72 N -0.22 3.18 0.02 1.61 1.81 -1.18 -5.06 118.95 119.11 2bs4 s ARG 72 Ca 0.00 -0.75 -0.30 0.00 -1.72 0.00 0.00 55.73 52.96 2bs4 s ARG 72 Cb 0.00 -2.68 -0.07 0.00 -0.45 0.00 0.00 34.95 31.75 2bs4 s ARG 72 CO 0.00 -0.09 1.65 -1.25 -0.68 0.00 0.00 175.30 174.93 2bs4 s PRO 73 N 1.08 4.20 0.18 3.54 0.04 -1.26 -1.55 135.00 141.23 2bs4 s PRO 73 Ca -0.00 2.26 -0.20 0.00 0.04 0.00 0.00 61.00 63.10 2bs4 s PRO 73 Cb -0.14 -3.78 0.05 0.00 0.04 0.00 0.00 34.50 30.66 2bs4 s PRO 73 CO -0.04 -0.77 0.57 -1.54 0.04 0.00 0.00 177.00 175.25 2bs4 s SER 74 N 2.83 -0.39 -0.27 6.66 1.04 0.14 -4.93 113.70 118.78 2bs4 s SER 74 Ca 0.74 -0.28 -0.29 0.00 0.48 0.00 0.00 55.95 56.60 2bs4 s SER 74 Cb -0.37 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2bs4 s SER 74 CO 0.31 -1.04 1.23 -0.76 0.98 0.00 0.00 173.24 173.97 2bs4 s LEU 75 N -2.82 3.96 0.16 2.42 1.43 -1.26 -1.61 118.68 120.95 2bs4 s LEU 75 Ca 0.05 1.28 -0.17 0.00 -1.03 0.00 0.00 54.13 54.26 2bs4 s LEU 75 Cb -0.01 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.73 2bs4 s LEU 75 CO -0.07 -0.96 1.70 0.00 0.23 0.00 0.00 176.35 177.25 2bs4 h ALA 76 N 8.73 0.29 -0.01 4.21 0.00 -1.67 -2.39 119.26 128.41 2bs4 h ALA 76 Ca -0.25 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2bs4 h ALA 76 Cb 1.09 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2bs4 h ALA 76 CO 1.02 -0.42 0.01 0.00 0.00 0.00 0.00 179.25 179.86 2bs4 n ARG 78 N -3.46 2.37 -3.72 0.00 0.63 -0.92 -4.73 116.66 106.82 2bs4 n ARG 78 Ca -0.03 -2.17 -0.35 0.00 -0.92 0.00 0.00 57.85 54.38 2bs4 n ARG 78 Cb 0.09 -1.47 -0.08 0.00 0.45 0.00 0.00 32.46 31.45 2bs4 n ARG 78 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2bs4 s THR 79 N -1.42 5.38 -0.19 5.15 2.01 -0.55 -5.03 115.64 120.98 2bs4 s THR 79 Ca 0.35 0.18 -0.09 0.00 0.31 0.00 0.00 61.69 62.44 2bs4 s THR 79 Cb 0.21 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.20 2bs4 s THR 79 CO 0.29 0.42 0.11 -0.76 -0.69 0.00 0.00 174.62 173.99 2bs4 s LEU 80 N 0.54 4.10 0.23 4.42 1.43 -1.26 -1.15 118.68 126.99 2bs4 s LEU 80 Ca 0.08 0.19 -0.08 0.00 -1.03 0.00 0.00 54.13 53.29 2bs4 s LEU 80 Cb -0.12 -2.06 0.21 0.00 0.03 0.00 0.00 46.19 44.26 2bs4 s LEU 80 CO -0.00 0.18 1.90 0.71 0.23 0.00 0.00 176.35 179.36 2bs4 h THR 81 N 4.72 1.20 -1.17 5.49 1.35 -1.73 -2.00 112.91 120.77 2bs4 h THR 81 Ca -0.40 -0.39 0.34 0.00 -0.55 0.00 0.00 66.41 65.41 2bs4 h THR 81 Cb 1.16 -0.04 -0.05 0.00 -1.73 0.00 0.00 68.15 67.48 2bs4 h THR 81 CO 0.74 0.21 1.13 0.50 -0.25 0.00 0.00 175.52 177.85 2bs4 h LYS 82 N 1.15 0.00 -0.25 4.72 3.64 -1.92 0.30 116.57 124.21 2bs4 h LYS 82 Ca 0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 2bs4 h LYS 82 Cb -0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2bs4 h LYS 82 CO -0.08 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.85 2bs4 n ASP 83 N -3.54 0.62 -3.99 4.20 8.00 -0.75 -4.62 116.55 116.47 2bs4 n ASP 83 Ca 0.26 -2.02 -0.31 0.00 0.71 0.00 0.00 54.79 53.43 2bs4 n ASP 83 Cb 1.49 -0.14 -0.15 0.00 -0.02 0.00 0.00 41.12 42.30 2bs4 n ASP 83 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2bs4 s PHE 84 N -1.76 3.58 -1.24 1.24 0.40 0.11 -5.01 117.98 115.30 2bs4 s PHE 84 Ca 0.05 -3.00 -0.19 0.00 -0.60 0.00 0.00 56.93 53.19 2bs4 s PHE 84 Cb 0.03 -2.86 -0.00 0.00 0.51 0.00 0.00 43.02 40.69 2bs4 s PHE 84 CO 0.03 -0.90 1.88 -1.91 0.70 0.00 0.00 175.22 175.02 2bs4 n GLU 85 N 4.03 2.53 0.00 0.44 4.07 -1.26 -2.16 120.64 128.29 2bs4 n GLU 85 Ca 0.04 -2.81 0.00 0.00 -0.06 0.00 0.00 57.16 54.33 2bs4 n GLU 85 Cb 0.40 -3.48 0.00 0.00 -0.06 0.00 0.00 31.44 28.30 2bs4 n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2bs4 n ASP 86 N 9.72 0.00 0.00 4.31 10.43 -1.26 -4.96 116.55 134.78 2bs4 n ASP 86 Ca 0.48 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.84 2bs4 n ASP 86 Cb 0.45 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.41 2bs4 n ASP 86 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2bs4 n GLY 87 N 0.00 0.38 3.17 0.44 0.00 -0.92 -4.89 105.19 103.37 2bs4 n GLY 87 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2bs4 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bs4 s VAL 88 N -1.77 3.26 -0.19 1.61 1.01 -1.26 0.14 120.40 123.20 2bs4 s VAL 88 Ca 0.00 -1.59 -0.02 0.00 0.00 0.00 0.00 61.98 60.37 2bs4 s VAL 88 Cb 0.00 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.37 2bs4 s VAL 88 CO 0.00 -0.35 -0.11 -0.63 0.00 0.00 0.00 175.10 174.02 2bs4 s ILE 89 N 1.24 2.91 -0.19 2.22 1.01 -0.55 -4.99 121.20 122.85 2bs4 s ILE 89 Ca 0.01 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 59.93 2bs4 s ILE 89 Cb -0.21 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 2bs4 s ILE 89 CO -0.01 0.47 0.05 -0.89 0.00 0.00 0.00 174.94 174.56 2bs4 s THR 90 N 1.24 4.52 -0.16 2.92 2.01 -1.26 -1.07 115.64 123.85 2bs4 s THR 90 Ca 0.03 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.89 2bs4 s THR 90 Cb -0.14 -3.05 -0.01 0.00 0.01 0.00 0.00 72.50 69.31 2bs4 s THR 90 CO -0.05 0.43 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.46 2bs4 s LEU 91 N 0.69 2.81 0.11 4.42 1.43 0.45 -1.27 118.68 127.31 2bs4 s LEU 91 Ca 0.02 -0.33 0.08 0.00 -1.03 0.00 0.00 54.13 52.87 2bs4 s LEU 91 Cb -0.13 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 2bs4 s LEU 91 CO 0.02 0.11 -0.19 -0.76 0.23 0.00 0.00 176.35 175.75 2bs4 s LEU 92 N 0.69 2.32 0.65 1.79 1.43 -0.45 -1.73 118.68 123.38 2bs4 s LEU 92 Ca -0.05 -0.71 -0.14 0.00 -1.03 0.00 0.00 54.13 52.20 2bs4 s LEU 92 Cb -0.15 -0.82 -0.00 0.00 0.03 0.00 0.00 46.19 45.25 2bs4 s LEU 92 CO 0.02 0.02 1.09 -2.16 0.23 0.00 0.00 176.35 175.55 2bs4 s PRO 93 N -2.04 2.92 0.18 1.29 0.04 -1.26 -0.45 135.00 135.69 2bs4 s PRO 93 Ca 0.07 1.26 -0.33 0.00 0.04 0.00 0.00 61.00 62.04 2bs4 s PRO 93 Cb -0.09 -1.98 -0.13 0.00 0.04 0.00 0.00 34.50 32.35 2bs4 s PRO 93 CO 0.04 -1.14 1.67 1.28 0.04 0.00 0.00 177.00 178.90 2bs4 n LEU 94 N -2.49 3.61 -4.80 -3.56 4.77 -1.26 -4.49 117.00 108.78 2bs4 n LEU 94 Ca 0.09 1.07 -0.29 0.00 -0.03 0.00 0.00 56.01 56.85 2bs4 n LEU 94 Cb 0.53 -1.51 0.14 0.00 -2.33 0.00 0.00 43.42 40.25 2bs4 n LEU 94 CO 0.49 -0.02 0.73 -2.16 -1.33 0.00 0.00 177.39 175.10 2bs4 s PRO 95 N 1.19 1.07 -0.81 3.23 0.04 -1.26 -3.99 135.00 134.47 2bs4 s PRO 95 Ca 0.77 0.21 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2bs4 s PRO 95 Cb -0.58 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.12 2bs4 s PRO 95 CO 0.35 -2.23 0.00 0.00 0.04 0.00 0.00 177.00 175.16 2bs4 n ALA 96 N -3.77 -0.12 -2.92 8.56 0.00 -1.26 -4.34 120.51 116.66 2bs4 n ALA 96 Ca 0.08 0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.53 2bs4 n ALA 96 Cb 0.59 -1.11 -0.12 0.00 0.00 0.00 0.00 19.45 18.82 2bs4 n ALA 96 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2bs4 s PHE 97 N -2.18 0.39 0.12 0.00 0.08 -1.26 -4.94 117.98 110.20 2bs4 s PHE 97 Ca 0.00 -0.45 -0.31 0.00 0.12 0.00 0.00 56.93 56.29 2bs4 s PHE 97 Cb 0.00 -0.26 -0.09 0.00 -0.57 0.00 0.00 43.02 42.10 2bs4 s PHE 97 CO 0.00 -0.13 1.63 0.21 -0.10 0.00 0.00 175.22 176.83 2bs4 s LYS 98 N -1.31 4.20 -0.03 0.44 2.20 -1.26 -4.77 119.74 119.20 2bs4 s LYS 98 Ca -0.12 2.37 -0.29 0.00 -0.36 0.00 0.00 55.97 57.57 2bs4 s LYS 98 Cb -0.09 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.81 2bs4 s LYS 98 CO -0.00 -0.69 0.95 -1.17 -0.36 0.00 0.00 175.35 174.08 2bs4 s LEU 99 N 1.97 4.33 -0.07 5.43 2.96 -1.26 -0.29 118.68 131.76 2bs4 s LEU 99 Ca 0.73 1.56 -0.03 0.00 -0.22 0.00 0.00 54.13 56.17 2bs4 s LEU 99 Cb -0.42 -3.50 -0.01 0.00 0.50 0.00 0.00 46.19 42.76 2bs4 s LEU 99 CO 0.32 -0.28 -0.06 0.40 -1.32 0.00 0.00 176.35 175.41 2bs4 h ILE 100 N 4.87 0.00 -1.52 6.68 1.08 -0.78 -3.47 117.51 124.36 2bs4 h ILE 100 Ca -0.39 -0.55 0.08 0.00 -0.39 0.00 0.00 64.86 63.62 2bs4 h ILE 100 Cb 1.20 0.00 -0.27 0.00 -3.07 0.00 0.00 36.82 34.68 2bs4 h ILE 100 CO 0.77 0.00 0.53 -0.75 -0.69 0.00 0.00 178.15 178.01 2bs4 s LYS 101 N -1.54 0.46 3.33 2.37 2.20 -0.85 -4.34 119.74 121.37 2bs4 s LYS 101 Ca -0.05 0.47 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 2bs4 s LYS 101 Cb 0.01 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.55 2bs4 s LYS 101 CO 0.07 -0.07 0.00 -0.25 -0.36 0.00 0.00 175.35 174.74 2bs4 n ASP 102 N 1.91 0.00 -1.30 1.43 8.00 -0.71 -0.31 116.55 125.57 2bs4 n ASP 102 Ca -0.12 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.50 2bs4 n ASP 102 Cb 0.56 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.96 2bs4 n ASP 102 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2bs4 n LEU 103 N 0.00 3.80 -4.52 0.64 4.77 -0.86 -4.22 117.00 116.60 2bs4 n LEU 103 Ca 0.00 -1.82 -0.39 0.00 -0.03 0.00 0.00 56.01 53.76 2bs4 n LEU 103 Cb 0.00 -0.42 -0.11 0.00 -2.33 0.00 0.00 43.42 40.56 2bs4 n LEU 103 CO 0.00 0.91 -0.15 -0.55 -1.33 0.00 0.00 177.39 176.27 2bs4 s SER 104 N -1.16 5.93 0.43 -1.43 0.15 0.58 -4.62 113.70 113.58 2bs4 s SER 104 Ca 0.46 -0.35 0.06 0.00 0.70 0.00 0.00 55.95 56.82 2bs4 s SER 104 Cb 0.25 -2.10 -0.06 0.00 -1.71 0.00 0.00 66.02 62.39 2bs4 s SER 104 CO 0.33 -0.18 0.01 0.68 1.20 0.00 0.00 173.24 175.28 2bs4 s VAL 105 N 1.71 1.75 -0.75 4.45 -7.23 -1.26 -0.06 120.40 119.01 2bs4 s VAL 105 Ca 0.06 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.11 2bs4 s VAL 105 Cb -0.17 -2.80 0.20 0.00 0.56 0.00 0.00 36.38 34.17 2bs4 s VAL 105 CO 0.10 0.00 0.67 -0.62 -0.31 0.00 0.00 175.10 174.93 2bs4 s ASP 106 N -3.73 6.41 -0.16 4.85 -1.08 0.60 -4.79 116.67 118.76 2bs4 s ASP 106 Ca 0.29 -2.60 -0.02 0.00 -0.52 0.00 0.00 52.55 49.70 2bs4 s ASP 106 Cb 0.08 -2.14 -0.23 0.00 -1.46 0.00 0.00 42.92 39.17 2bs4 s ASP 106 CO 0.15 -0.57 0.20 0.35 0.52 0.00 0.00 175.17 175.82 2bs4 n THR 107 N 4.06 1.67 -0.20 1.71 -2.24 -1.26 -4.15 114.28 113.87 2bs4 n THR 107 Ca 0.09 -0.65 0.01 0.00 -2.27 0.00 0.00 64.05 61.23 2bs4 n THR 107 Cb 0.44 -1.55 0.11 0.00 -2.10 0.00 0.00 70.33 67.24 2bs4 n THR 107 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2bs4 h GLY 108 N 1.63 0.80 2.00 3.38 0.00 -1.90 -1.13 103.07 107.85 2bs4 h GLY 108 Ca -0.46 -0.05 -0.14 0.00 0.00 0.00 0.00 47.33 46.68 2bs4 h GLY 108 CO 0.03 -0.10 -0.65 3.43 0.00 0.00 0.00 176.54 179.25 2bs4 h ASN 109 N 0.29 0.00 -0.34 0.19 2.35 -1.98 -1.98 115.58 114.11 2bs4 h ASN 109 Ca 0.32 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.01 2bs4 h ASN 109 Cb 0.46 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 2bs4 h ASN 109 CO -0.39 0.65 -0.02 -0.25 -1.65 0.00 0.00 177.43 175.77 2bs4 h TRP 110 N 0.00 0.68 -0.83 1.19 7.01 -1.57 -2.09 115.95 120.33 2bs4 h TRP 110 Ca -0.01 -0.13 -0.02 0.00 2.11 0.00 0.00 58.89 60.85 2bs4 h TRP 110 Cb 1.28 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 28.13 2bs4 h TRP 110 CO 0.00 0.74 0.44 0.74 -2.79 0.00 0.00 178.44 177.58 2bs4 h PHE 111 N 0.41 1.16 -0.30 2.65 0.04 -1.11 0.14 116.94 119.93 2bs4 h PHE 111 Ca 0.09 -0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 2bs4 h PHE 111 Cb 0.49 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 2bs4 h PHE 111 CO 0.04 0.81 -0.00 -0.91 -0.60 0.00 0.00 178.31 177.65 2bs4 h ASN 112 N 1.17 0.43 -0.28 2.17 4.21 -1.28 0.46 115.58 122.46 2bs4 h ASN 112 Ca 0.29 -0.07 -0.11 0.00 1.21 0.00 0.00 56.30 57.62 2bs4 h ASN 112 Cb 0.05 -0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 37.14 2bs4 h ASN 112 CO -0.04 0.50 -0.26 1.23 -1.29 0.00 0.00 177.43 177.56 2bs4 h GLY 113 N 0.78 0.72 1.57 2.83 0.00 -0.57 -1.85 103.07 106.55 2bs4 h GLY 113 Ca 0.10 -0.73 -0.05 0.00 0.00 0.00 0.00 47.33 46.65 2bs4 h GLY 113 CO 0.01 0.66 -0.00 1.98 0.00 0.00 0.00 176.54 179.19 2bs4 h MET 114 N 0.39 0.53 -0.36 4.80 1.85 0.18 -0.43 114.93 121.89 2bs4 h MET 114 Ca 0.05 -0.11 -0.15 0.00 -0.61 0.00 0.00 59.70 58.87 2bs4 h MET 114 Cb 0.82 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.77 2bs4 h MET 114 CO 0.07 0.56 -0.38 0.77 -0.40 0.00 0.00 176.91 177.52 2bs4 h SER 115 N 0.51 0.94 -0.21 1.39 0.02 0.08 -2.52 113.55 113.75 2bs4 h SER 115 Ca 0.11 -0.43 -0.10 0.00 -0.84 0.00 0.00 61.79 60.53 2bs4 h SER 115 Cb 0.33 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 2bs4 h SER 115 CO 0.01 1.21 -0.27 1.56 -1.14 0.00 0.00 176.83 178.19 2bs4 h GLN 116 N 0.72 0.56 -0.87 3.45 4.20 -0.92 0.18 115.11 122.42 2bs4 h GLN 116 Ca 0.06 -0.32 0.12 0.00 0.06 0.00 0.00 58.65 58.58 2bs4 h GLN 116 Cb 0.96 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.68 2bs4 h GLN 116 CO 0.09 0.92 0.49 -0.09 -0.67 0.00 0.00 178.83 179.57 2bs4 h ARG 117 N 0.24 0.73 -0.41 1.46 2.43 -1.03 0.67 114.38 118.48 2bs4 h ARG 117 Ca 0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2bs4 h ARG 117 Cb 0.84 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2bs4 h ARG 117 CO 0.06 0.49 0.00 1.33 -1.51 0.00 0.00 179.97 180.34 2bs4 n VAL 118 N -4.77 0.53 -3.74 0.20 0.24 -0.96 -4.95 118.33 104.87 2bs4 n VAL 118 Ca 0.16 -0.63 -0.31 0.00 -2.04 0.00 0.00 64.34 61.52 2bs4 n VAL 118 Cb 0.37 0.53 0.03 0.00 -1.47 0.00 0.00 33.84 33.30 2bs4 n VAL 118 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2bs4 n GLU 119 N 1.00 -1.73 -1.05 7.34 1.02 0.23 -4.78 120.64 122.66 2bs4 n GLU 119 Ca 0.18 0.44 -0.42 0.00 -0.02 0.00 0.00 57.16 57.34 2bs4 n GLU 119 Cb 0.47 -4.19 -0.06 0.00 -0.02 0.00 0.00 31.44 27.64 2bs4 n GLU 119 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2bs4 n SER 120 N -2.73 2.46 -3.46 1.62 2.88 0.52 -4.79 113.62 110.12 2bs4 n SER 120 Ca -0.14 -2.64 -0.12 0.00 -1.33 0.00 0.00 58.87 54.64 2bs4 n SER 120 Cb 0.61 -1.04 -0.03 0.00 -0.75 0.00 0.00 64.21 63.00 2bs4 n SER 120 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2bs4 s TRP 121 N 5.11 -0.51 0.16 0.66 -2.14 -1.26 -5.02 118.94 115.94 2bs4 s TRP 121 Ca 0.57 0.47 -0.31 0.00 2.66 0.00 0.00 56.10 59.49 2bs4 s TRP 121 Cb 0.14 0.52 -0.10 0.00 -3.10 0.00 0.00 33.47 30.93 2bs4 s TRP 121 CO 0.13 -0.71 1.59 0.42 -2.66 0.00 0.00 176.95 175.72 2bs4 s ILE 122 N -3.00 2.64 -0.38 0.66 1.09 -1.26 -4.98 121.20 115.97 2bs4 s ILE 122 Ca -0.01 0.42 -0.07 0.00 -1.10 0.00 0.00 60.65 59.90 2bs4 s ILE 122 Cb -0.01 -3.27 0.07 0.00 -1.06 0.00 0.00 42.46 38.19 2bs4 s ILE 122 CO -0.07 0.03 0.18 -1.00 -0.10 0.00 0.00 174.94 173.98 2bs4 s HIS 123 N 1.34 3.33 0.00 3.97 3.76 -1.26 -5.03 115.29 121.40 2bs4 s HIS 123 Ca 0.71 -1.61 0.01 0.00 -0.15 0.00 0.00 55.06 54.01 2bs4 s HIS 123 Cb -0.44 -2.68 -0.00 0.00 1.11 0.00 0.00 32.58 30.57 2bs4 s HIS 123 CO 0.31 -0.81 -0.02 0.00 -0.85 0.00 0.00 174.74 173.37 2bs4 s ALA 124 N 1.37 0.14 -0.02 -1.40 0.00 -1.26 -0.57 121.76 120.03 2bs4 s ALA 124 Ca 0.01 -0.13 -0.22 0.00 0.00 0.00 0.00 51.96 51.62 2bs4 s ALA 124 Cb -0.21 -0.02 -0.15 0.00 0.00 0.00 0.00 23.12 22.74 2bs4 s ALA 124 CO 0.01 0.02 0.99 1.96 0.00 0.00 0.00 175.76 178.74 2bs4 h GLN 125 N 5.94 -0.38 -5.41 0.00 1.08 -1.97 -3.44 115.11 110.93 2bs4 h GLN 125 Ca -0.26 0.03 -0.60 0.00 -1.45 0.00 0.00 58.65 56.37 2bs4 h GLN 125 Cb 1.20 0.09 -0.11 0.00 -0.05 0.00 0.00 27.48 28.61 2bs4 h GLN 125 CO 0.50 -0.04 -0.25 -1.59 -0.95 0.00 0.00 178.83 176.49 2bs4 s LYS 126 N -3.96 4.19 -0.23 1.46 -2.85 -1.26 -5.05 119.74 112.04 2bs4 s LYS 126 Ca -0.13 0.14 -0.29 0.00 -1.00 0.00 0.00 55.97 54.69 2bs4 s LYS 126 Cb 0.01 -3.51 -0.00 0.00 -2.06 0.00 0.00 37.83 32.27 2bs4 s LYS 126 CO 0.46 0.03 1.19 -1.21 0.10 0.00 0.00 175.35 175.92 2bs4 s GLU 127 N 1.09 4.16 0.92 1.78 2.02 -1.26 -5.01 118.70 122.39 2bs4 s GLU 127 Ca 0.18 1.42 -0.11 0.00 0.02 0.00 0.00 54.97 56.48 2bs4 s GLU 127 Cb -0.14 -3.75 0.15 0.00 0.10 0.00 0.00 34.13 30.48 2bs4 s GLU 127 CO 0.07 -0.79 1.11 -1.58 0.02 0.00 0.00 175.26 174.09 2bs4 s HIS 128 N 3.61 1.84 -0.26 1.61 5.65 -1.26 -4.97 115.29 121.51 2bs4 s HIS 128 Ca 0.51 1.60 -0.17 0.00 0.25 0.00 0.00 55.06 57.25 2bs4 s HIS 128 Cb -0.18 -3.23 -0.03 0.00 -1.18 0.00 0.00 32.58 27.97 2bs4 s HIS 128 CO 0.14 -2.73 0.49 0.34 -0.65 0.00 0.00 174.74 172.33 2bs4 s ASP 129 N -2.87 6.41 0.00 9.88 -1.08 -1.26 -4.97 116.67 122.79 2bs4 s ASP 129 Ca 0.66 0.50 0.20 0.00 -0.52 0.00 0.00 52.55 53.38 2bs4 s ASP 129 Cb -0.21 -2.27 1.19 0.00 -1.46 0.00 0.00 42.92 40.17 2bs4 s ASP 129 CO 0.58 -0.26 1.59 2.30 0.52 0.00 0.00 175.17 179.90 2bs4 n ILE 130 N 5.10 0.01 0.11 4.11 -5.35 -1.26 -2.46 119.36 119.62 2bs4 n ILE 130 Ca -0.05 0.00 0.07 0.00 -0.27 0.00 0.00 62.75 62.50 2bs4 n ILE 130 Cb 0.50 -0.69 0.13 0.00 -1.74 0.00 0.00 39.64 37.84 2bs4 n ILE 130 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2bs4 n SER 131 N -1.01 2.72 -4.62 7.28 3.41 -1.26 -4.99 113.62 115.15 2bs4 n SER 131 Ca 0.15 -1.82 -0.24 0.00 -0.26 0.00 0.00 58.87 56.70 2bs4 n SER 131 Cb 0.07 -0.17 -0.08 0.00 -0.26 0.00 0.00 64.21 63.77 2bs4 n SER 131 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2bs4 s LYS 132 N -1.06 2.10 0.20 4.33 1.02 -1.03 -5.08 119.74 120.23 2bs4 s LYS 132 Ca 0.23 -1.66 -0.31 0.00 0.02 0.00 0.00 55.97 54.24 2bs4 s LYS 132 Cb 0.13 -1.98 -0.15 0.00 -0.52 0.00 0.00 37.83 35.31 2bs4 s LYS 132 CO 0.18 0.20 1.09 1.28 -0.92 0.00 0.00 175.35 177.19 2bs4 n LEU 133 N -0.92 1.43 -4.74 3.17 7.99 -1.26 -4.91 117.00 117.75 2bs4 n LEU 133 Ca -0.05 1.15 -0.34 0.00 -0.01 0.00 0.00 56.01 56.77 2bs4 n LEU 133 Cb 0.61 -1.22 0.07 0.00 -0.11 0.00 0.00 43.42 42.78 2bs4 n LEU 133 CO 0.42 -1.42 0.77 -1.83 -1.51 0.00 0.00 177.39 173.83 2bs4 s GLU 134 N -0.68 2.41 0.42 3.23 1.03 -1.26 -4.95 118.70 118.90 2bs4 s GLU 134 Ca 0.69 1.61 -0.25 0.00 0.03 0.00 0.00 54.97 57.06 2bs4 s GLU 134 Cb -0.83 -1.88 -0.08 0.00 -0.80 0.00 0.00 34.13 30.54 2bs4 s GLU 134 CO 0.54 -1.59 1.24 -1.21 -1.33 0.00 0.00 175.26 172.91 2bs4 s GLU 135 N -3.97 3.91 0.18 -4.83 2.02 -1.26 -4.97 118.70 109.78 2bs4 s GLU 135 Ca 0.71 2.00 -0.30 0.00 0.02 0.00 0.00 54.97 57.41 2bs4 s GLU 135 Cb -0.26 -2.65 -0.07 0.00 0.10 0.00 0.00 34.13 31.25 2bs4 s GLU 135 CO 0.43 -0.49 0.99 1.03 0.02 0.00 0.00 175.26 177.24 2bs4 s ARG 136 N -2.36 4.73 -0.01 1.61 0.52 -1.26 -5.05 118.95 117.13 2bs4 s ARG 136 Ca 0.59 1.54 0.04 0.00 -0.52 0.00 0.00 55.73 57.38 2bs4 s ARG 136 Cb -0.34 -3.31 -0.01 0.00 0.52 0.00 0.00 34.95 31.80 2bs4 s ARG 136 CO 0.43 0.29 -0.13 0.42 0.02 0.00 0.00 175.30 176.33 2bs4 s ILE 137 N -0.51 1.05 0.15 1.52 1.09 -1.26 -5.11 121.20 118.12 2bs4 s ILE 137 Ca 0.45 -0.60 -0.31 0.00 -1.10 0.00 0.00 60.65 59.09 2bs4 s ILE 137 Cb -0.26 -0.88 -0.10 0.00 -1.06 0.00 0.00 42.46 40.16 2bs4 s ILE 137 CO 0.32 0.27 1.57 -1.61 -0.10 0.00 0.00 174.94 175.39 2bs4 s GLU 138 N -0.38 4.22 0.44 2.79 0.41 -1.26 -4.87 118.70 120.04 2bs4 s GLU 138 Ca 0.05 2.35 0.24 0.00 -0.41 0.00 0.00 54.97 57.20 2bs4 s GLU 138 Cb -0.05 -3.20 1.24 0.00 -1.78 0.00 0.00 34.13 30.34 2bs4 s GLU 138 CO -0.00 -0.62 1.76 -1.00 -0.49 0.00 0.00 175.26 174.92 2bs4 h PRO 139 N 6.96 0.26 -0.58 0.39 0.13 -1.99 0.20 132.00 137.37 2bs4 h PRO 139 Ca -0.43 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.60 2bs4 h PRO 139 Cb 1.20 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2bs4 h PRO 139 CO 0.91 0.17 0.00 0.93 -0.23 0.00 0.00 178.00 179.79 2bs4 h GLU 140 N 0.27 1.02 -0.39 0.86 3.07 -1.99 -0.94 114.58 116.48 2bs4 h GLU 140 Ca 0.61 -0.32 -0.04 0.00 -0.50 0.00 0.00 59.36 59.11 2bs4 h GLU 140 Cb 1.79 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 29.59 2bs4 h GLU 140 CO -0.24 1.01 0.10 0.28 -1.40 0.00 0.00 179.01 178.76 2bs4 h VAL 141 N 0.92 1.22 -0.75 3.13 2.07 -1.00 -1.90 116.25 119.93 2bs4 h VAL 141 Ca 0.16 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.96 2bs4 h VAL 141 Cb 0.55 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 2bs4 h VAL 141 CO 0.03 0.26 0.48 0.00 0.02 0.00 0.00 177.57 178.36 2bs4 h ALA 142 N 0.95 0.98 -0.91 1.67 0.00 -1.08 -1.72 119.26 119.15 2bs4 h ALA 142 Ca 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2bs4 h ALA 142 Cb 0.29 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2bs4 h ALA 142 CO -0.00 0.30 0.56 0.37 0.00 0.00 0.00 179.25 180.48 2bs4 h GLN 143 N 0.96 1.23 -0.33 0.00 5.75 -0.85 -1.50 115.11 120.36 2bs4 h GLN 143 Ca 0.30 -0.10 -0.06 0.00 -0.15 0.00 0.00 58.65 58.63 2bs4 h GLN 143 Cb -0.02 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.26 2bs4 h GLN 143 CO -0.10 0.85 -0.03 0.93 -2.65 0.00 0.00 178.83 177.83 2bs4 h GLU 144 N 1.25 0.61 -0.73 1.69 5.08 -0.75 -1.92 114.58 119.82 2bs4 h GLU 144 Ca 0.33 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2bs4 h GLU 144 Cb -0.08 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2bs4 h GLU 144 CO -0.06 0.76 0.26 0.28 -1.00 0.00 0.00 179.01 179.25 2bs4 h VAL 145 N 0.40 1.25 -0.24 3.13 2.07 -1.16 -2.76 116.25 118.96 2bs4 h VAL 145 Ca 0.09 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.81 2bs4 h VAL 145 Cb 0.50 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2bs4 h VAL 145 CO 0.02 0.33 0.10 0.15 0.02 0.00 0.00 177.57 178.19 2bs4 h PHE 146 N 1.06 0.18 -0.88 1.57 3.57 -1.07 -0.87 116.94 120.50 2bs4 h PHE 146 Ca 0.24 0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.93 2bs4 h PHE 146 Cb 0.24 -0.05 -0.11 0.00 2.79 0.00 0.00 35.95 38.83 2bs4 h PHE 146 CO 0.02 0.09 0.44 1.49 -2.23 0.00 0.00 178.31 178.12 2bs4 h GLU 147 N 0.22 0.54 0.00 1.11 4.81 -1.05 -0.85 114.58 119.36 2bs4 h GLU 147 Ca 0.10 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.16 2bs4 h GLU 147 Cb 0.05 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 2bs4 h GLU 147 CO -0.09 0.36 -0.90 -0.07 -0.73 0.00 0.00 179.01 177.58 2bs4 h LEU 148 N 0.55 0.00 0.00 1.64 3.38 -1.45 -3.24 115.31 116.20 2bs4 h LEU 148 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2bs4 h LEU 148 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2bs4 h LEU 148 CO -0.42 0.58 0.00 -0.67 0.09 0.00 0.00 178.44 178.01 2bs4 n ASP 149 N -3.11 0.00 0.02 -0.43 2.03 -0.35 -3.30 116.55 111.41 2bs4 n ASP 149 Ca -0.03 -0.51 0.11 0.00 0.52 0.00 0.00 54.79 54.89 2bs4 n ASP 149 Cb 0.79 -0.14 0.48 0.00 -0.72 0.00 0.00 41.12 41.53 2bs4 n ASP 149 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2bs4 n ARG 150 N -1.14 0.04 -1.63 -0.67 1.74 -0.63 -4.84 116.66 109.53 2bs4 n ARG 150 Ca 0.17 0.15 -0.49 0.00 -0.77 0.00 0.00 57.85 56.91 2bs4 n ARG 150 Cb 0.16 -1.56 -0.05 0.00 -1.02 0.00 0.00 32.46 29.98 2bs4 n ARG 150 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bs4 n ILE 152 N 2.85 2.55 -4.22 0.00 -5.35 -1.26 -4.98 119.36 108.94 2bs4 n ILE 152 Ca 0.17 -1.93 -0.30 0.00 -0.27 0.00 0.00 62.75 60.42 2bs4 n ILE 152 Cb 0.24 -0.30 -0.09 0.00 -1.74 0.00 0.00 39.64 37.75 2bs4 n ILE 152 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2bs4 n GLU 153 N -0.43 -0.91 0.18 6.28 1.02 -1.26 -4.26 120.64 121.26 2bs4 n GLU 153 Ca 0.29 0.08 0.07 0.00 -0.02 0.00 0.00 57.16 57.58 2bs4 n GLU 153 Cb 1.07 -3.34 0.17 0.00 -0.02 0.00 0.00 31.44 29.33 2bs4 n GLU 153 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bs4 n GLY 155 N 0.93 0.95 0.31 0.00 0.00 -1.26 -4.53 105.19 101.59 2bs4 n GLY 155 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 2bs4 n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bs4 h ILE 158 N 0.00 1.64 0.00 0.00 5.03 -1.81 -3.06 117.51 119.31 2bs4 h ILE 158 Ca 0.00 -2.35 -0.03 0.00 -0.12 0.00 0.00 64.86 62.37 2bs4 h ILE 158 Cb 0.64 3.20 -0.00 0.00 -3.03 0.00 0.00 36.82 37.63 2bs4 h ILE 158 CO 0.00 0.64 -0.12 0.00 -0.68 0.00 0.00 178.15 177.98 2bs4 h ALA 159 N 0.08 1.06 0.00 1.87 0.00 -1.28 -2.52 119.26 118.47 2bs4 h ALA 159 Ca -0.06 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2bs4 h ALA 159 Cb 1.25 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2bs4 h ALA 159 CO 0.07 0.15 -0.53 0.00 0.00 0.00 0.00 179.25 178.94 2bs4 h ALA 160 N 1.88 0.74 -1.52 0.00 0.00 -1.25 -3.44 119.26 115.66 2bs4 h ALA 160 Ca -0.00 -0.35 -0.53 0.00 0.00 0.00 0.00 54.91 54.02 2bs4 h ALA 160 Cb 0.56 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 2bs4 h ALA 160 CO 0.02 0.45 1.16 0.00 0.00 0.00 0.00 179.25 180.88 2bs4 h GLY 162 N 13.88 1.62 0.39 0.00 0.00 -1.86 -1.49 103.07 115.62 2bs4 h GLY 162 Ca -0.27 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 46.66 2bs4 h GLY 162 CO 1.20 0.16 -0.33 -0.84 0.00 0.00 0.00 176.54 176.74 2bs4 h THR 163 N 0.99 0.30 -0.22 4.70 2.02 -1.94 -0.96 112.91 117.78 2bs4 h THR 163 Ca 0.49 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.67 2bs4 h THR 163 Cb 0.49 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2bs4 h THR 163 CO -0.26 0.00 0.12 0.50 0.37 0.00 0.00 175.52 176.25 2bs4 h LYS 164 N -0.54 0.30 -0.59 6.66 1.63 -1.61 0.33 116.57 122.75 2bs4 h LYS 164 Ca 0.04 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.78 2bs4 h LYS 164 Cb 0.58 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.12 2bs4 h LYS 164 CO -0.21 0.23 0.22 0.82 -3.45 0.00 0.00 179.45 177.06 2bs4 h ILE 165 N 0.31 1.22 0.15 2.00 1.08 -0.22 -3.18 117.51 118.87 2bs4 h ILE 165 Ca 0.08 -0.70 -0.33 0.00 -0.39 0.00 0.00 64.86 63.52 2bs4 h ILE 165 Cb 0.01 0.53 0.00 0.00 -3.07 0.00 0.00 36.82 34.29 2bs4 h ILE 165 CO -0.01 0.27 -1.65 0.24 -0.69 0.00 0.00 178.15 176.31 2bs4 h MET 166 N 0.86 0.32 -4.02 2.37 2.86 0.20 -3.43 114.93 114.08 2bs4 h MET 166 Ca 0.20 -0.55 -0.63 0.00 -2.06 0.00 0.00 59.70 56.66 2bs4 h MET 166 Cb 0.19 0.20 -0.40 0.00 0.06 0.00 0.00 31.60 31.66 2bs4 h MET 166 CO -0.02 1.21 -0.72 1.03 1.06 0.00 0.00 176.91 179.48 2bs4 s ARG 167 N -2.60 1.35 0.47 1.72 0.52 0.99 -5.01 118.95 116.40 2bs4 s ARG 167 Ca -0.12 -1.81 0.32 0.00 -0.52 0.00 0.00 55.73 53.59 2bs4 s ARG 167 Cb 0.06 -2.83 1.62 0.00 0.52 0.00 0.00 34.95 34.32 2bs4 s ARG 167 CO 0.85 -1.00 1.97 1.05 0.02 0.00 0.00 175.30 178.19 2bs4 h GLU 168 N 7.46 0.00 -0.02 3.54 4.11 -1.83 -2.26 114.58 125.58 2bs4 h GLU 168 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.36 2bs4 h GLU 168 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2bs4 h GLU 168 CO 0.53 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.36 2bs4 n ASP 169 N -2.67 0.99 -4.70 3.06 8.00 -1.26 -4.86 116.55 115.12 2bs4 n ASP 169 Ca -0.01 -1.37 -0.42 0.00 0.71 0.00 0.00 54.79 53.70 2bs4 n ASP 169 Cb 0.12 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 2bs4 n ASP 169 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2bs4 s PHE 170 N -1.98 2.47 0.57 1.24 5.36 -0.85 -4.80 117.98 119.99 2bs4 s PHE 170 Ca 0.40 0.28 0.31 0.00 -0.96 0.00 0.00 56.93 56.96 2bs4 s PHE 170 Cb 0.21 -4.02 1.85 0.00 -0.34 0.00 0.00 43.02 40.71 2bs4 s PHE 170 CO 0.33 -4.09 2.24 -0.24 -1.46 0.00 0.00 175.22 172.01 2bs4 h VAL 171 N 4.61 0.46 0.00 3.12 3.04 -1.17 -3.48 116.25 122.82 2bs4 h VAL 171 Ca -0.44 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 2bs4 h VAL 171 Cb 1.21 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 2bs4 h VAL 171 CO 0.93 0.02 0.00 0.61 -1.01 0.00 0.00 177.57 178.12 2bs4 n GLY 172 N -1.18 -1.72 0.27 3.17 0.00 -1.26 -3.86 105.19 100.60 2bs4 n GLY 172 Ca -0.03 -1.54 -0.14 0.00 0.00 0.00 0.00 46.02 44.31 2bs4 n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bs4 h ALA 173 N 0.00 -0.48 -0.94 4.61 0.00 -1.93 -1.12 119.26 119.39 2bs4 h ALA 173 Ca 0.00 -0.07 0.18 0.00 0.00 0.00 0.00 54.91 55.01 2bs4 h ALA 173 Cb 0.00 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 2bs4 h ALA 173 CO 0.00 -0.80 0.60 0.00 0.00 0.00 0.00 179.25 179.06 2bs4 h ALA 174 N 0.19 1.89 -0.31 0.00 0.00 -1.90 0.14 119.26 119.27 2bs4 h ALA 174 Ca -0.01 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2bs4 h ALA 174 Cb 0.46 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2bs4 h ALA 174 CO -0.04 -0.19 -0.30 0.78 0.00 0.00 0.00 179.25 179.50 2bs4 h GLY 175 N 0.64 0.81 0.90 0.00 0.00 -1.51 -1.47 103.07 102.44 2bs4 h GLY 175 Ca 0.50 -0.83 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 2bs4 h GLY 175 CO -0.26 0.75 0.08 1.41 0.00 0.00 0.00 176.54 178.53 2bs4 h LEU 176 N 0.51 0.46 -1.21 3.11 3.38 0.09 -2.57 115.31 119.07 2bs4 h LEU 176 Ca 0.05 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.86 2bs4 h LEU 176 Cb 0.87 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 2bs4 h LEU 176 CO 0.07 0.56 0.56 -1.13 0.09 0.00 0.00 178.44 178.59 2bs4 h ASN 177 N 0.34 0.85 -0.86 -0.43 -0.73 -0.72 -2.08 115.58 111.94 2bs4 h ASN 177 Ca 0.10 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.27 2bs4 h ASN 177 Cb 0.27 -0.18 -0.04 0.00 0.27 0.00 0.00 38.32 38.64 2bs4 h ASN 177 CO -0.00 0.56 0.53 -0.09 -0.37 0.00 0.00 177.43 178.06 2bs4 h ARG 178 N 0.97 1.16 0.60 6.67 9.65 -0.87 -1.26 114.38 131.30 2bs4 h ARG 178 Ca 0.36 -0.09 -0.03 0.00 -1.10 0.00 0.00 59.98 59.12 2bs4 h ARG 178 Cb 0.18 -0.25 0.01 0.00 -1.39 0.00 0.00 29.97 28.51 2bs4 h ARG 178 CO -0.13 0.80 -0.29 0.28 2.80 0.00 0.00 179.97 183.44 2bs4 h VAL 179 N 1.19 0.38 -0.75 0.20 2.07 -1.12 -2.65 116.25 115.57 2bs4 h VAL 179 Ca 0.31 -0.12 0.13 0.00 0.82 0.00 0.00 66.70 67.84 2bs4 h VAL 179 Cb -0.07 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 2bs4 h VAL 179 CO -0.06 0.02 0.50 0.58 0.02 0.00 0.00 177.57 178.62 2bs4 h VAL 180 N -0.89 0.85 -0.50 2.57 2.07 -1.29 0.19 116.25 119.25 2bs4 h VAL 180 Ca -0.08 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.31 2bs4 h VAL 180 Cb 0.65 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2bs4 h VAL 180 CO 0.13 0.09 0.33 -0.09 0.02 0.00 0.00 177.57 178.06 2bs4 h ARG 181 N 0.51 0.46 0.00 1.57 1.12 -0.88 -1.72 114.38 115.44 2bs4 h ARG 181 Ca 0.36 -0.03 -0.24 0.00 -1.11 0.00 0.00 59.98 58.96 2bs4 h ARG 181 Cb 0.69 -0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 30.51 2bs4 h ARG 181 CO -0.13 0.31 -1.71 1.19 -3.11 0.00 0.00 179.97 176.52 2bs4 n PHE 182 N -4.48 0.78 -0.05 2.20 3.72 0.33 -3.79 117.46 116.18 2bs4 n PHE 182 Ca 0.06 0.27 -0.09 0.00 -0.05 0.00 0.00 57.45 57.65 2bs4 n PHE 182 Cb 0.22 -1.08 -0.02 0.00 -0.94 0.00 0.00 39.48 37.65 2bs4 n PHE 182 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 2bs4 h MET 183 N 0.00 0.22 -0.12 -1.08 4.05 -0.18 -2.25 114.93 115.57 2bs4 h MET 183 Ca -0.27 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.14 2bs4 h MET 183 Cb 1.83 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.58 2bs4 h MET 183 CO 0.05 0.15 0.00 0.44 0.23 0.00 0.00 176.91 177.78 2bs4 n ILE 184 N -5.00 0.17 -3.48 1.77 -5.35 -0.70 -4.77 119.36 102.00 2bs4 n ILE 184 Ca -0.02 -0.18 -0.41 0.00 -0.27 0.00 0.00 62.75 61.87 2bs4 n ILE 184 Cb 0.06 0.07 -0.10 0.00 -1.74 0.00 0.00 39.64 37.93 2bs4 n ILE 184 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2bs4 s ASP 185 N -1.13 6.10 0.43 7.28 -1.08 -0.85 -4.87 116.67 122.56 2bs4 s ASP 185 Ca 0.14 -0.45 0.21 0.00 -0.52 0.00 0.00 52.55 51.92 2bs4 s ASP 185 Cb 0.07 -2.16 1.16 0.00 -1.46 0.00 0.00 42.92 40.54 2bs4 s ASP 185 CO 0.10 -0.30 1.83 -0.65 0.52 0.00 0.00 175.17 176.67 2bs4 h PRO 186 N 8.51 0.32 0.00 4.34 0.11 -1.86 0.88 132.00 144.31 2bs4 h PRO 186 Ca -0.30 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 2bs4 h PRO 186 Cb 1.15 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2bs4 h PRO 186 CO 0.67 0.21 -0.06 0.45 -0.21 0.00 0.00 178.00 179.06 2bs4 h HIS 187 N 0.33 0.00 -3.39 0.65 3.86 -1.92 -3.41 115.15 111.28 2bs4 h HIS 187 Ca 0.51 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 59.14 2bs4 h HIS 187 Cb 1.41 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.80 2bs4 h HIS 187 CO -0.00 0.06 0.02 0.34 0.86 0.00 0.00 177.93 179.21 2bs4 s ASP 188 N -6.81 6.72 0.00 2.45 -1.08 0.30 -4.50 116.67 113.75 2bs4 s ASP 188 Ca -0.05 0.87 0.21 0.00 -0.52 0.00 0.00 52.55 53.07 2bs4 s ASP 188 Cb 0.16 -2.34 0.65 0.00 -1.46 0.00 0.00 42.92 39.93 2bs4 s ASP 188 CO 0.65 -0.16 1.50 -0.62 0.52 0.00 0.00 175.17 177.06 2bs4 n GLU 189 N 4.41 1.93 -2.19 4.34 1.02 0.27 -4.86 120.64 125.57 2bs4 n GLU 189 Ca -0.03 -1.40 -0.37 0.00 -0.02 0.00 0.00 57.16 55.33 2bs4 n GLU 189 Cb 0.51 -1.42 -0.00 0.00 -0.02 0.00 0.00 31.44 30.50 2bs4 n GLU 189 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2bs4 s ARG 190 N -1.72 3.63 0.55 3.49 0.52 -1.26 -5.04 118.95 119.11 2bs4 s ARG 190 Ca 0.34 1.83 0.09 0.00 -0.52 0.00 0.00 55.73 57.46 2bs4 s ARG 190 Cb 0.19 -2.35 0.07 0.00 0.52 0.00 0.00 34.95 33.38 2bs4 s ARG 190 CO 0.27 -0.67 0.71 0.95 0.02 0.00 0.00 175.30 176.58 2bs4 s THR 191 N -1.53 2.20 0.26 0.02 -4.23 -1.26 -4.97 115.64 106.14 2bs4 s THR 191 Ca 0.66 -1.07 -0.05 0.00 -1.18 0.00 0.00 61.69 60.05 2bs4 s THR 191 Cb -0.30 -2.27 0.25 0.00 1.34 0.00 0.00 72.50 71.52 2bs4 s THR 191 CO 0.36 0.00 1.93 0.44 -0.54 0.00 0.00 174.62 176.81 2bs4 h ASP 192 N 0.33 1.09 -0.39 3.99 5.19 -1.98 -1.37 116.42 123.29 2bs4 h ASP 192 Ca -0.32 -0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.01 2bs4 h ASP 192 Cb 1.29 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 40.50 2bs4 h ASP 192 CO 0.44 0.80 0.12 1.05 -3.12 0.00 0.00 179.24 178.53 2bs4 h GLU 193 N 1.28 0.68 -0.18 3.56 9.09 -1.96 0.82 114.58 127.87 2bs4 h GLU 193 Ca 0.34 -0.12 -0.00 0.00 0.05 0.00 0.00 59.36 59.63 2bs4 h GLU 193 Cb -0.13 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 26.85 2bs4 h GLU 193 CO -0.07 0.61 0.11 -0.44 0.05 0.00 0.00 179.01 179.27 2bs4 h ASP 194 N 0.67 0.22 0.49 3.06 3.32 -1.64 -2.21 116.42 120.32 2bs4 h ASP 194 Ca 0.15 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 2bs4 h ASP 194 Cb 0.23 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2bs4 h ASP 194 CO -0.00 0.21 -0.36 1.88 -1.72 0.00 0.00 179.24 179.24 2bs4 h TYR 195 N 0.21 0.00 -0.72 4.55 0.05 -1.00 -2.54 116.97 117.52 2bs4 h TYR 195 Ca 0.07 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.82 2bs4 h TYR 195 Cb 0.03 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 2bs4 h TYR 195 CO -0.05 0.36 0.33 -0.92 -1.05 0.00 0.00 178.16 176.83 2bs4 h TYR 196 N 0.00 1.03 0.00 4.88 5.03 -0.26 -0.15 116.97 127.50 2bs4 h TYR 196 Ca -0.00 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.26 2bs4 h TYR 196 Cb 0.70 -0.32 0.00 0.00 1.55 0.00 0.00 36.73 38.66 2bs4 h TYR 196 CO 0.00 0.76 0.00 0.39 -1.32 0.00 0.00 178.16 177.99 2bs4 n GLU 197 N -4.32 0.05 -0.09 1.82 -0.58 -0.93 -0.18 120.64 116.41 2bs4 n GLU 197 Ca 0.07 0.36 -0.12 0.00 -0.42 0.00 0.00 57.16 57.04 2bs4 n GLU 197 Cb 0.14 -1.62 -0.04 0.00 -0.57 0.00 0.00 31.44 29.35 2bs4 n GLU 197 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2bs4 n LEU 198 N -1.72 1.91 -0.39 -4.62 4.77 -0.17 -4.75 117.00 112.02 2bs4 n LEU 198 Ca 0.02 0.41 0.07 0.00 -0.03 0.00 0.00 56.01 56.48 2bs4 n LEU 198 Cb 0.15 -0.80 0.15 0.00 -2.33 0.00 0.00 43.42 40.59 2bs4 n LEU 198 CO 0.13 -0.15 0.60 2.30 -1.33 0.00 0.00 177.39 178.94 2bs4 n ILE 199 N -4.46 1.64 -1.36 -0.08 -6.64 -0.60 -4.83 119.36 103.04 2bs4 n ILE 199 Ca -0.20 -1.65 -0.27 0.00 -1.77 0.00 0.00 62.75 58.86 2bs4 n ILE 199 Cb 0.53 0.05 -0.08 0.00 -1.44 0.00 0.00 39.64 38.70 2bs4 n ILE 199 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2bs4 n GLY 200 N -0.61 4.00 2.17 3.28 0.00 0.74 -0.97 105.19 113.80 2bs4 n GLY 200 Ca 0.13 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.50 2bs4 n GLY 200 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bs4 n ASP 201 N 2.32 -1.09 0.19 1.61 5.68 -1.26 -4.95 116.55 119.05 2bs4 n ASP 201 Ca 0.57 -2.08 0.14 0.00 -0.50 0.00 0.00 54.79 52.93 2bs4 n ASP 201 Cb 0.54 1.91 0.62 0.00 -1.14 0.00 0.00 41.12 43.06 2bs4 n ASP 201 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2bs4 h ASP 202 N 1.21 0.00 0.31 -1.12 3.32 -1.89 -0.62 116.42 117.63 2bs4 h ASP 202 Ca -0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.87 2bs4 h ASP 202 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2bs4 h ASP 202 CO 0.24 0.00 -0.68 0.47 -1.72 0.00 0.00 179.24 177.55 2bs4 n ASP 203 N -2.55 0.69 0.00 6.45 8.00 -1.26 -3.30 116.55 124.58 2bs4 n ASP 203 Ca 0.01 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 54.97 2bs4 n ASP 203 Cb 0.21 0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 2bs4 n ASP 203 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bs4 n GLY 204 N 1.50 1.33 0.32 0.44 0.00 -0.25 -0.65 105.19 107.88 2bs4 n GLY 204 Ca 0.05 -1.04 0.04 0.00 0.00 0.00 0.00 46.02 45.07 2bs4 n GLY 204 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2bs4 h VAL 205 N 0.00 1.12 0.00 1.61 3.04 -1.14 -1.80 116.25 119.07 2bs4 h VAL 205 Ca 0.00 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 2bs4 h VAL 205 Cb 0.00 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 29.69 2bs4 h VAL 205 CO 0.00 0.12 0.00 0.49 -1.01 0.00 0.00 177.57 177.17 2bs4 n PHE 206 N -4.46 0.00 0.69 3.17 3.72 -1.19 -2.39 117.46 117.00 2bs4 n PHE 206 Ca 0.04 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.56 2bs4 n PHE 206 Cb 0.06 -0.09 0.19 0.00 -0.94 0.00 0.00 39.48 38.70 2bs4 n PHE 206 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bs4 n GLY 207 N 0.77 -1.36 3.72 1.37 0.00 -0.68 -4.86 105.19 104.16 2bs4 n GLY 207 Ca 0.18 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2bs4 n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bs4 n MET 209 N 3.86 3.13 -3.81 0.00 0.00 -1.26 -4.96 117.12 114.08 2bs4 n MET 209 Ca 0.10 -2.62 -0.27 0.00 0.00 0.00 0.00 57.70 54.91 2bs4 n MET 209 Cb 0.44 -1.63 0.04 0.00 0.00 0.00 0.00 33.22 32.06 2bs4 n MET 209 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2bs4 n THR 210 N 1.06 -2.84 0.19 2.03 -1.04 -1.26 -4.87 114.28 107.56 2bs4 n THR 210 Ca 0.22 -0.14 0.04 0.00 -2.04 0.00 0.00 64.05 62.14 2bs4 n THR 210 Cb 0.69 -3.27 0.39 0.00 -1.82 0.00 0.00 70.33 66.33 2bs4 n THR 210 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2bs4 h LEU 211 N -2.12 0.00 0.00 -4.42 3.38 -2.00 -3.46 115.31 106.69 2bs4 h LEU 211 Ca -0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2bs4 h LEU 211 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2bs4 h LEU 211 CO 0.63 0.35 0.00 0.18 0.09 0.00 0.00 178.44 179.69 2bs4 n LEU 212 N -3.90 0.85 -0.02 1.67 4.77 -1.26 -4.83 117.00 114.29 2bs4 n LEU 212 Ca -0.01 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.01 2bs4 n LEU 212 Cb 0.42 -1.93 0.42 0.00 -2.33 0.00 0.00 43.42 40.00 2bs4 n LEU 212 CO 0.37 -0.73 1.17 0.00 -1.33 0.00 0.00 177.39 176.88 2bs4 h ALA 213 N 0.00 1.71 -0.10 -1.18 0.00 -1.90 -1.92 119.26 115.88 2bs4 h ALA 213 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2bs4 h ALA 213 Cb 0.60 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2bs4 h ALA 213 CO 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 179.25 179.47 2bs4 h HIS 215 N -0.01 0.26 -0.00 0.00 6.17 -1.72 -2.06 115.15 117.78 2bs4 h HIS 215 Ca 0.05 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.13 2bs4 h HIS 215 Cb 0.09 -0.08 0.00 0.00 2.52 0.00 0.00 27.41 29.93 2bs4 h HIS 215 CO -0.15 0.23 -0.25 -0.25 0.71 0.00 0.00 177.93 178.21 2bs4 n ASP 216 N -4.43 0.54 -0.00 3.26 8.00 -0.84 -4.00 116.55 119.07 2bs4 n ASP 216 Ca -0.00 -0.38 0.02 0.00 0.71 0.00 0.00 54.79 55.13 2bs4 n ASP 216 Cb 0.14 0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 2bs4 n ASP 216 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2bs4 n VAL 217 N -1.14 0.00 -1.61 2.53 0.24 -0.77 -5.00 118.33 112.58 2bs4 n VAL 217 Ca 0.10 -0.40 -0.43 0.00 -2.04 0.00 0.00 64.34 61.57 2bs4 n VAL 217 Cb 0.32 0.96 -0.03 0.00 -1.47 0.00 0.00 33.84 33.63 2bs4 n VAL 217 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2bs4 n PRO 219 N 8.59 0.02 -0.10 0.00 -0.04 -1.26 -1.12 135.00 141.10 2bs4 n PRO 219 Ca 0.29 0.35 0.05 0.00 -0.04 0.00 0.00 63.50 64.14 2bs4 n PRO 219 Cb 0.44 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.50 2bs4 n PRO 219 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2bs4 n LYS 220 N -1.40 2.08 -4.02 0.54 4.76 -1.26 -5.00 118.16 113.86 2bs4 n LYS 220 Ca 0.01 -1.66 -0.30 0.00 -2.87 0.00 0.00 58.31 53.49 2bs4 n LYS 220 Cb 0.03 -1.20 -0.03 0.00 -1.84 0.00 0.00 35.03 31.99 2bs4 n LYS 220 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2bs4 n ASN 221 N 0.38 -1.01 -4.77 4.39 3.02 -0.28 -4.91 115.26 112.08 2bs4 n ASN 221 Ca 0.08 -1.11 -0.38 0.00 -0.03 0.00 0.00 54.58 53.15 2bs4 n ASN 221 Cb 0.34 -2.59 -0.04 0.00 -0.61 0.00 0.00 39.78 36.87 2bs4 n ASN 221 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bs4 s LEU 222 N -7.06 4.31 -0.36 3.41 1.02 -1.26 -4.89 118.68 113.85 2bs4 s LEU 222 Ca 0.11 2.08 -0.04 0.00 0.02 0.00 0.00 54.13 56.30 2bs4 s LEU 222 Cb -0.05 -3.97 -0.09 0.00 0.02 0.00 0.00 46.19 42.10 2bs4 s LEU 222 CO 0.92 -0.31 1.97 -0.81 0.02 0.00 0.00 176.35 178.14 2bs4 n PRO 223 N 0.45 1.33 0.18 1.29 -0.04 -1.26 -4.60 135.00 132.35 2bs4 n PRO 223 Ca 0.02 -0.86 -0.14 0.00 -0.04 0.00 0.00 63.50 62.48 2bs4 n PRO 223 Cb 0.48 -2.04 -0.07 0.00 -0.04 0.00 0.00 33.50 31.84 2bs4 n PRO 223 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2bs4 h LEU 224 N 6.93 -0.61 -0.35 1.53 3.38 -1.92 -1.54 115.31 122.72 2bs4 h LEU 224 Ca 0.24 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.31 2bs4 h LEU 224 Cb 0.45 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 2bs4 h LEU 224 CO 0.84 -0.35 -0.50 -0.61 0.09 0.00 0.00 178.44 177.91 2bs4 h GLN 225 N -0.52 -0.35 -0.26 1.13 -0.00 -1.94 0.22 115.11 113.38 2bs4 h GLN 225 Ca -0.01 0.02 -0.12 0.00 -0.00 0.00 0.00 58.65 58.54 2bs4 h GLN 225 Cb 0.47 0.08 -0.01 0.00 0.00 0.00 0.00 27.48 28.02 2bs4 h GLN 225 CO -0.03 -0.23 -0.33 0.66 0.00 0.00 0.00 178.83 178.90 2bs4 h SER 226 N -0.36 0.58 -0.11 -0.69 4.64 -1.96 -2.78 113.55 112.87 2bs4 h SER 226 Ca 0.06 -0.23 -0.12 0.00 -0.47 0.00 0.00 61.79 61.03 2bs4 h SER 226 Cb 0.53 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 2bs4 h SER 226 CO -0.53 0.87 -0.32 0.50 -0.87 0.00 0.00 176.83 176.49 2bs4 h LYS 227 N 0.48 0.60 -0.22 4.77 1.63 -0.76 0.35 116.57 123.42 2bs4 h LYS 227 Ca 0.05 -0.27 -0.04 0.00 -0.85 0.00 0.00 60.65 59.55 2bs4 h LYS 227 Cb 0.81 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 2bs4 h LYS 227 CO 0.07 0.85 -0.01 0.82 -3.45 0.00 0.00 179.45 177.72 2bs4 h ILE 228 N 0.51 1.26 -0.83 2.00 1.08 -0.52 -2.35 117.51 118.67 2bs4 h ILE 228 Ca 0.06 -0.91 0.04 0.00 -0.39 0.00 0.00 64.86 63.66 2bs4 h ILE 228 Cb 0.80 1.42 -0.05 0.00 -3.07 0.00 0.00 36.82 35.92 2bs4 h ILE 228 CO 0.07 0.28 0.52 0.00 -0.69 0.00 0.00 178.15 178.33 2bs4 h ALA 229 N 0.79 1.10 -0.35 1.87 0.00 -1.27 -0.65 119.26 120.75 2bs4 h ALA 229 Ca 0.06 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2bs4 h ALA 229 Cb 0.42 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2bs4 h ALA 229 CO 0.01 0.32 0.02 -0.92 0.00 0.00 0.00 179.25 178.69 2bs4 h TYR 230 N 1.00 0.03 -0.57 0.00 3.20 -0.75 -1.46 116.97 118.42 2bs4 h TYR 230 Ca 0.34 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.14 2bs4 h TYR 230 Cb 0.06 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 2bs4 h TYR 230 CO -0.03 -0.04 -0.00 1.25 -1.64 0.00 0.00 178.16 177.70 2bs4 h LEU 231 N 0.13 0.96 -0.05 2.82 5.85 -0.84 -2.53 115.31 121.64 2bs4 h LEU 231 Ca 0.17 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2bs4 h LEU 231 Cb 0.22 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 2bs4 h LEU 231 CO -0.26 1.02 0.02 -0.09 -0.34 0.00 0.00 178.44 178.79 2bs4 h ARG 232 N 0.90 0.07 -0.66 1.25 2.43 -0.68 0.15 114.38 117.85 2bs4 h ARG 232 Ca 0.16 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.41 2bs4 h ARG 232 Cb 0.53 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.00 2bs4 h ARG 232 CO 0.03 0.14 0.32 0.00 -1.51 0.00 0.00 179.97 178.95 2bs4 h ARG 233 N -0.03 0.55 -0.33 0.20 3.08 -1.22 -0.64 114.38 115.99 2bs4 h ARG 233 Ca 0.02 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 2bs4 h ARG 233 Cb 0.10 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2bs4 h ARG 233 CO -0.00 0.36 -0.39 0.87 -1.07 0.00 0.00 179.97 179.74 2bs4 h LYS 234 N 0.57 0.79 0.00 0.04 1.57 -1.16 -3.16 116.57 115.22 2bs4 h LYS 234 Ca 0.32 -0.41 -0.11 0.00 -1.87 0.00 0.00 60.65 58.58 2bs4 h LYS 234 Cb 0.31 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2bs4 h LYS 234 CO -0.25 1.04 -0.51 0.52 -0.57 0.00 0.00 179.45 179.69 2bs4 h MET 235 N 0.65 0.00 0.00 3.15 2.86 -0.49 -2.93 114.93 118.17 2bs4 h MET 235 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2bs4 h MET 235 Cb 0.95 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.61 2bs4 h MET 235 CO 0.09 0.51 0.00 1.55 1.06 0.00 0.00 176.91 180.11 2bs4 n VAL 236 N -3.58 0.02 0.09 -2.22 3.14 -0.29 -3.21 118.33 112.28 2bs4 n VAL 236 Ca -0.00 0.01 0.07 0.00 -2.96 0.00 0.00 64.34 61.46 2bs4 n VAL 236 Cb 0.59 -0.54 0.15 0.00 -1.06 0.00 0.00 33.84 32.98 2bs4 n VAL 236 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2bs4 n SER 237 N -1.10 2.84 -4.69 6.55 7.64 -1.11 -4.99 113.62 118.76 2bs4 n SER 237 Ca 0.19 -1.85 -0.42 0.00 1.01 0.00 0.00 58.87 57.80 2bs4 n SER 237 Cb 0.14 -0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 63.13 2bs4 n SER 237 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2bs4 s VAL 238 N -1.08 4.27 0.00 0.44 1.01 -1.20 -5.12 120.40 118.72 2bs4 s VAL 238 Ca 0.25 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.83 2bs4 s VAL 238 Cb 0.14 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2bs4 s VAL 238 CO 0.20 0.02 0.00 0.59 0.00 0.00 0.00 175.10 175.91