#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bav n ARG 2 N 0.00 2.42 0.00 0.00 3.00 -1.26 -4.89 116.66 115.92 1bav n ARG 2 Ca 0.00 -2.88 0.00 0.00 -0.01 0.00 0.00 57.85 54.96 1bav n ARG 2 Cb 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 32.46 30.33 1bav n ARG 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1bav n SER 3 N -0.75 0.00 0.23 0.55 2.88 -1.26 -4.99 113.62 110.28 1bav n SER 3 Ca 0.56 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 58.22 1bav n SER 3 Cb 0.87 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 64.66 1bav n SER 3 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1bav h THR 4 N 0.78 0.16 0.00 2.46 1.35 -1.90 -2.74 112.91 113.03 1bav h THR 4 Ca 0.00 -1.02 -0.06 0.00 -0.55 0.00 0.00 66.41 64.78 1bav h THR 4 Cb 0.00 1.89 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 1bav h THR 4 CO 0.00 0.08 -0.27 0.78 -0.25 0.00 0.00 175.52 175.86 1bav h ASN 5 N 0.00 0.00 -0.35 5.36 -0.26 -2.00 -2.42 115.58 115.91 1bav h ASN 5 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1bav h ASN 5 Cb 0.88 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.14 1bav h ASN 5 CO 0.01 0.27 0.00 0.35 -1.06 0.00 0.00 177.43 177.00 1bav n THR 6 N -3.72 2.18 -2.98 2.81 -2.24 -1.05 -4.96 114.28 104.31 1bav n THR 6 Ca -0.01 -1.65 -0.40 0.00 -2.27 0.00 0.00 64.05 59.73 1bav n THR 6 Cb 0.38 -0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 68.42 1bav n THR 6 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1bav s PHE 7 N -2.52 3.87 -0.36 4.78 2.19 -0.91 -4.18 117.98 120.84 1bav s PHE 7 Ca 0.43 1.59 -0.23 0.00 0.33 0.00 0.00 56.93 59.04 1bav s PHE 7 Cb 0.33 -2.78 0.01 0.00 -1.31 0.00 0.00 43.02 39.27 1bav s PHE 7 CO 0.12 0.46 0.80 1.21 1.83 0.00 0.00 175.22 179.64 1bav s ASN 8 N -0.88 6.57 0.00 6.13 3.84 -1.26 -4.91 114.94 124.44 1bav s ASN 8 Ca 0.36 0.39 0.25 0.00 0.21 0.00 0.00 52.86 54.08 1bav s ASN 8 Cb -0.22 -2.40 0.70 0.00 -0.55 0.00 0.00 41.25 38.78 1bav s ASN 8 CO 0.25 -0.74 1.54 -1.22 -2.79 0.00 0.00 177.10 174.15 1bav n TYR 9 N 6.45 0.12 -1.57 0.43 4.02 -1.26 -4.15 117.16 121.20 1bav n TYR 9 Ca 0.03 -0.06 -0.11 0.00 -0.01 0.00 0.00 57.90 57.76 1bav n TYR 9 Cb 0.48 0.00 0.15 0.00 -0.02 0.00 0.00 39.34 39.95 1bav n TYR 9 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1bav n ALA 10 N 0.64 4.65 -3.11 -0.72 0.00 -1.26 -4.45 120.51 116.27 1bav n ALA 10 Ca 0.17 -3.33 -0.12 0.00 0.00 0.00 0.00 53.44 50.16 1bav n ALA 10 Cb 0.43 -0.74 -0.08 0.00 0.00 0.00 0.00 19.45 19.06 1bav n ALA 10 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1bav s THR 11 N -3.68 0.07 -0.07 0.00 -1.32 -1.26 -4.61 115.64 104.78 1bav s THR 11 Ca 0.48 -0.62 -0.24 0.00 -1.21 0.00 0.00 61.69 60.10 1bav s THR 11 Cb 0.42 -0.71 -0.03 0.00 -1.51 0.00 0.00 72.50 70.66 1bav s THR 11 CO -0.00 -0.34 0.75 -0.31 -2.21 0.00 0.00 174.62 172.51 1bav s TYR 12 N -1.82 3.58 0.36 9.09 2.02 -1.26 -5.04 117.35 124.28 1bav s TYR 12 Ca -0.10 1.31 0.07 0.00 -0.37 0.00 0.00 57.07 57.98 1bav s TYR 12 Cb -0.04 -2.86 -0.01 0.00 -0.40 0.00 0.00 41.96 38.65 1bav s TYR 12 CO 0.01 0.05 0.44 -1.01 -1.57 0.00 0.00 175.55 173.47 1bav s HIS 13 N 0.93 2.95 0.57 2.71 3.76 -1.26 -5.13 115.29 119.83 1bav s HIS 13 Ca 0.39 -0.31 0.01 0.00 -0.15 0.00 0.00 55.06 55.01 1bav s HIS 13 Cb -0.18 -2.05 0.05 0.00 1.11 0.00 0.00 32.58 31.50 1bav s HIS 13 CO 0.19 -0.07 0.80 0.95 -0.85 0.00 0.00 174.74 175.77 1bav s THR 14 N -2.28 2.59 0.26 1.30 -4.23 -1.26 -4.93 115.64 107.09 1bav s THR 14 Ca 0.47 -0.66 -0.03 0.00 -1.18 0.00 0.00 61.69 60.28 1bav s THR 14 Cb -0.08 -2.93 0.27 0.00 1.34 0.00 0.00 72.50 71.10 1bav s THR 14 CO 0.30 0.00 1.91 0.25 -0.54 0.00 0.00 174.62 176.54 1bav h LEU 15 N -0.01 1.07 -0.45 4.79 7.12 -1.97 -1.08 115.31 124.79 1bav h LEU 15 Ca -0.41 -0.01 -0.15 0.00 0.13 0.00 0.00 57.88 57.44 1bav h LEU 15 Cb 1.29 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 41.17 1bav h LEU 15 CO 0.51 0.73 -0.30 0.44 -0.13 0.00 0.00 178.44 179.68 1bav h ASP 16 N 1.24 1.02 -0.78 1.25 5.19 -1.99 -1.31 116.42 121.04 1bav h ASP 16 Ca 0.40 -0.42 -0.02 0.00 -0.62 0.00 0.00 57.03 56.36 1bav h ASP 16 Cb 0.03 -0.28 -0.04 0.00 0.18 0.00 0.00 39.33 39.22 1bav h ASP 16 CO -0.13 1.23 0.39 -0.33 -3.12 0.00 0.00 179.24 177.28 1bav h GLU 17 N 0.82 1.12 -0.15 3.56 5.08 -1.75 0.18 114.58 123.43 1bav h GLU 17 Ca 0.09 -0.15 -0.20 0.00 -1.00 0.00 0.00 59.36 58.10 1bav h GLU 17 Cb 0.89 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1bav h GLU 17 CO 0.08 0.85 -0.71 0.82 -1.00 0.00 0.00 179.01 179.05 1bav h ILE 18 N 1.11 1.32 -0.20 3.13 2.04 -1.04 -1.17 117.51 122.69 1bav h ILE 18 Ca 0.27 -1.98 -0.15 0.00 1.00 0.00 0.00 64.86 64.00 1bav h ILE 18 Cb 0.08 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1bav h ILE 18 CO -0.04 0.62 -0.51 1.88 0.00 0.00 0.00 178.15 180.10 1bav h TYR 19 N 0.45 0.70 0.25 1.37 -1.99 -0.98 -2.66 116.97 114.11 1bav h TYR 19 Ca -0.03 -0.24 -0.01 0.00 2.00 0.00 0.00 58.73 60.45 1bav h TYR 19 Cb 1.31 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.90 1bav h TYR 19 CO 0.07 0.96 -0.12 -0.44 -0.00 0.00 0.00 178.16 178.63 1bav h ASP 20 N 0.44 -0.28 -1.00 3.88 3.32 -0.56 -2.86 116.42 119.36 1bav h ASP 20 Ca 0.02 -0.02 0.18 0.00 0.02 0.00 0.00 57.03 57.23 1bav h ASP 20 Cb 1.04 0.07 -0.10 0.00 0.22 0.00 0.00 39.33 40.56 1bav h ASP 20 CO 0.10 -0.17 0.61 0.15 -1.72 0.00 0.00 179.24 178.21 1bav h PHE 21 N -0.37 1.02 -0.60 4.55 3.57 -1.13 -1.20 116.94 122.79 1bav h PHE 21 Ca -0.03 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1bav h PHE 21 Cb 0.28 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 1bav h PHE 21 CO -0.05 0.25 0.36 0.52 -2.23 0.00 0.00 178.31 177.16 1bav h MET 22 N 0.75 0.81 -0.61 1.11 2.86 -1.24 -0.53 114.93 118.08 1bav h MET 22 Ca 0.56 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 58.09 1bav h MET 22 Cb 0.88 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 1bav h MET 22 CO -0.34 0.59 0.23 -0.44 1.06 0.00 0.00 176.91 178.00 1bav h ASP 23 N 0.81 0.82 -0.33 1.22 3.32 -1.16 -1.11 116.42 119.99 1bav h ASP 23 Ca 0.21 -0.11 -0.18 0.00 0.02 0.00 0.00 57.03 56.98 1bav h ASP 23 Cb -0.01 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 1bav h ASP 23 CO -0.04 0.74 -0.48 -0.07 -1.72 0.00 0.00 179.24 177.67 1bav h LEU 24 N 0.88 0.99 -0.30 1.55 3.38 -1.12 -1.16 115.31 119.54 1bav h LEU 24 Ca 0.21 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1bav h LEU 24 Cb 0.19 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1bav h LEU 24 CO -0.02 1.31 0.14 0.25 0.09 0.00 0.00 178.44 180.21 1bav h LEU 25 N 0.71 0.39 -0.46 1.67 5.85 -0.59 -1.20 115.31 121.68 1bav h LEU 25 Ca 0.03 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 1bav h LEU 25 Cb 1.09 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1bav h LEU 25 CO 0.11 0.41 0.15 0.58 -0.34 0.00 0.00 178.44 179.35 1bav h VAL 26 N 0.34 1.22 -0.72 1.05 2.07 -1.23 -0.88 116.25 118.10 1bav h VAL 26 Ca 0.10 -0.73 0.13 0.00 0.82 0.00 0.00 66.70 67.01 1bav h VAL 26 Cb 0.13 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1bav h VAL 26 CO -0.01 0.27 0.48 0.00 0.02 0.00 0.00 177.57 178.32 1bav h ALA 27 N 1.00 2.03 0.00 1.67 0.00 -0.93 -0.89 119.26 122.14 1bav h ALA 27 Ca 0.15 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.84 1bav h ALA 27 Cb 0.26 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1bav h ALA 27 CO -0.01 -0.21 -1.33 1.96 0.00 0.00 0.00 179.25 179.66 1bav h GLN 28 N 0.46 0.00 -1.88 0.00 4.20 -0.69 -3.40 115.11 113.80 1bav h GLN 28 Ca 0.34 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.57 1bav h GLN 28 Cb 0.70 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.07 1bav h GLN 28 CO -0.11 0.53 -1.08 0.72 -0.67 0.00 0.00 178.83 178.22 1bav n HIS 29 N -3.08 1.19 0.30 2.96 8.25 -0.38 -4.94 115.22 119.51 1bav n HIS 29 Ca -0.09 -3.67 0.16 0.00 -0.26 0.00 0.00 57.72 53.86 1bav n HIS 29 Cb 0.93 -0.41 0.95 0.00 1.12 0.00 0.00 29.99 32.57 1bav n HIS 29 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1bav h PRO 30 N 2.98 0.00 -0.40 -0.41 0.13 -1.40 -1.73 132.00 131.17 1bav h PRO 30 Ca 0.08 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.09 1bav h PRO 30 Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 1bav h PRO 30 CO 0.57 0.02 -0.24 0.93 -0.23 0.00 0.00 178.00 179.06 1bav h GLU 31 N 0.00 0.81 0.01 0.86 3.07 -1.92 -3.35 114.58 114.06 1bav h GLU 31 Ca -0.00 -0.34 -0.35 0.00 -0.50 0.00 0.00 59.36 58.17 1bav h GLU 31 Cb 0.07 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 27.89 1bav h GLU 31 CO 0.00 0.96 -2.18 -0.11 -1.40 0.00 0.00 179.01 176.29 1bav n LEU 32 N -4.10 1.05 -3.95 1.33 7.94 -0.82 -4.78 117.00 113.67 1bav n LEU 32 Ca -0.00 0.11 -0.18 0.00 -1.11 0.00 0.00 56.01 54.83 1bav n LEU 32 Cb 0.45 -0.01 -0.15 0.00 0.53 0.00 0.00 43.42 44.23 1bav n LEU 32 CO 0.45 0.59 -0.41 0.54 -1.11 0.00 0.00 177.39 177.45 1bav s VAL 33 N -2.53 0.52 0.05 1.96 0.11 -0.71 -0.76 120.40 119.04 1bav s VAL 33 Ca -0.14 -0.22 0.05 0.00 -2.93 0.00 0.00 61.98 58.74 1bav s VAL 33 Cb 0.07 -0.48 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 1bav s VAL 33 CO 0.78 0.17 -0.14 -0.94 -3.33 0.00 0.00 175.10 171.64 1bav s SER 34 N 0.23 1.66 -0.10 3.54 1.04 -0.73 -4.45 113.70 114.89 1bav s SER 34 Ca -0.03 -0.53 -0.13 0.00 0.48 0.00 0.00 55.95 55.74 1bav s SER 34 Cb -0.07 -0.08 -0.05 0.00 0.10 0.00 0.00 66.02 65.92 1bav s SER 34 CO -0.00 -0.02 0.32 -0.75 0.98 0.00 0.00 173.24 173.78 1bav s LYS 35 N -1.40 4.04 -0.07 4.02 2.20 -1.26 -0.88 119.74 126.39 1bav s LYS 35 Ca -0.00 0.19 0.04 0.00 -0.36 0.00 0.00 55.97 55.84 1bav s LYS 35 Cb -0.09 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 1bav s LYS 35 CO 0.02 0.45 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.76 1bav s LEU 36 N -0.21 1.89 -0.29 5.43 1.43 0.31 -4.96 118.68 122.27 1bav s LEU 36 Ca 0.19 -0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 52.68 1bav s LEU 36 Cb -0.14 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 1bav s LEU 36 CO 0.07 0.12 0.60 -1.58 0.23 0.00 0.00 176.35 175.80 1bav s GLN 37 N 0.36 3.96 0.00 1.70 0.74 -1.26 -0.03 119.66 125.13 1bav s GLN 37 Ca -0.13 0.33 0.23 0.00 0.05 0.00 0.00 55.36 55.84 1bav s GLN 37 Cb -0.16 -3.70 0.31 0.00 1.10 0.00 0.00 33.01 30.56 1bav s GLN 37 CO 0.05 -0.50 1.31 0.44 -0.55 0.00 0.00 175.29 176.04 1bav n ILE 38 N 5.32 0.28 -1.50 -2.34 -5.35 -0.19 -4.99 119.36 110.59 1bav n ILE 38 Ca -0.02 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.82 1bav n ILE 38 Cb 0.49 1.20 0.00 0.00 -1.74 0.00 0.00 39.64 39.59 1bav n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bav n GLY 39 N 1.38 -2.36 3.25 3.28 0.00 -1.23 -4.79 105.19 104.71 1bav n GLY 39 Ca 0.16 -1.29 -0.25 0.00 0.00 0.00 0.00 46.02 44.64 1bav n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bav s ARG 40 N -2.00 1.38 1.08 1.61 0.52 -1.26 0.51 118.95 120.79 1bav s ARG 40 Ca 0.00 -0.94 -0.15 0.00 -0.52 0.00 0.00 55.73 54.12 1bav s ARG 40 Cb 0.00 -1.49 0.23 0.00 0.52 0.00 0.00 34.95 34.21 1bav s ARG 40 CO 0.00 0.38 1.10 -1.54 0.02 0.00 0.00 175.30 175.26 1bav s SER 41 N -1.19 1.91 0.23 0.23 1.04 0.99 -4.76 113.70 112.14 1bav s SER 41 Ca 0.07 0.96 -0.06 0.00 0.48 0.00 0.00 55.95 57.40 1bav s SER 41 Cb -0.09 -1.47 0.41 0.00 0.10 0.00 0.00 66.02 64.97 1bav s SER 41 CO 0.02 -3.55 1.71 0.22 0.98 0.00 0.00 173.24 172.61 1bav h TYR 42 N -2.18 0.33 -0.16 5.02 3.20 -1.95 0.10 116.97 121.33 1bav h TYR 42 Ca -0.51 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.39 1bav h TYR 42 Cb 1.32 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.55 1bav h TYR 42 CO -0.61 -0.02 0.00 0.39 -1.64 0.00 0.00 178.16 176.28 1bav n GLU 43 N -5.10 1.74 -0.86 1.82 1.02 -1.26 -4.89 120.64 113.10 1bav n GLU 43 Ca 0.12 -0.73 0.00 0.00 -0.02 0.00 0.00 57.16 56.54 1bav n GLU 43 Cb 0.40 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1bav n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bav n GLY 44 N 0.43 0.61 3.73 0.62 0.00 0.36 -5.04 105.19 105.90 1bav n GLY 44 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1bav n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bav s ARG 45 N -0.14 4.65 0.39 1.61 0.52 -1.26 -4.66 118.95 120.06 1bav s ARG 45 Ca 0.00 1.60 -0.26 0.00 -0.52 0.00 0.00 55.73 56.54 1bav s ARG 45 Cb 0.00 -3.32 -0.09 0.00 0.52 0.00 0.00 34.95 32.06 1bav s ARG 45 CO 0.00 0.15 1.31 -1.25 0.02 0.00 0.00 175.30 175.53 1bav s PRO 46 N -0.22 4.03 -0.22 3.54 0.04 -1.26 -0.01 135.00 140.90 1bav s PRO 46 Ca 0.48 2.19 -0.08 0.00 0.04 0.00 0.00 61.00 63.63 1bav s PRO 46 Cb -0.27 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 31.43 1bav s PRO 46 CO 0.32 -0.45 0.07 0.42 0.04 0.00 0.00 177.00 177.40 1bav s ILE 47 N -1.24 4.62 0.17 0.56 1.01 0.18 -4.80 121.20 121.71 1bav s ILE 47 Ca 0.56 -0.08 0.10 0.00 0.00 0.00 0.00 60.65 61.22 1bav s ILE 47 Cb -0.39 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 1bav s ILE 47 CO 0.50 0.39 -0.15 -0.31 0.00 0.00 0.00 174.94 175.37 1bav s TYR 48 N 1.00 2.52 -0.02 3.97 2.02 -1.26 -1.02 117.35 124.55 1bav s TYR 48 Ca 0.04 -0.27 0.05 0.00 -0.37 0.00 0.00 57.07 56.52 1bav s TYR 48 Cb -0.14 -1.26 -0.01 0.00 -0.40 0.00 0.00 41.96 40.16 1bav s TYR 48 CO 0.03 0.48 -0.17 0.08 -1.57 0.00 0.00 175.55 174.41 1bav s VAL 49 N -1.58 1.33 -0.29 0.71 1.01 0.96 -4.48 120.40 118.06 1bav s VAL 49 Ca 0.22 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 1bav s VAL 49 Cb -0.09 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1bav s VAL 49 CO 0.13 0.38 0.21 -0.76 0.00 0.00 0.00 175.10 175.06 1bav s LEU 50 N -0.24 4.13 -0.26 3.92 1.43 -0.50 -0.53 118.68 126.64 1bav s LEU 50 Ca 0.03 -0.09 -0.10 0.00 -1.03 0.00 0.00 54.13 52.94 1bav s LEU 50 Cb -0.08 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 1bav s LEU 50 CO 0.00 -0.10 0.14 -0.75 0.23 0.00 0.00 176.35 175.88 1bav s LYS 51 N 1.77 3.88 -0.21 1.70 2.20 -0.06 -1.01 119.74 128.01 1bav s LYS 51 Ca 0.07 -0.36 -0.09 0.00 -0.36 0.00 0.00 55.97 55.24 1bav s LYS 51 Cb -0.16 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 1bav s LYS 51 CO 0.11 -0.12 0.10 -0.06 -0.36 0.00 0.00 175.35 175.01 1bav s PHE 52 N 1.54 3.27 -0.25 4.03 0.40 0.56 -1.77 117.98 125.76 1bav s PHE 52 Ca 0.07 0.10 -0.26 0.00 -0.60 0.00 0.00 56.93 56.24 1bav s PHE 52 Cb -0.15 -2.16 0.09 0.00 0.51 0.00 0.00 43.02 41.31 1bav s PHE 52 CO 0.07 0.10 0.83 0.45 0.70 0.00 0.00 175.22 177.37 1bav s SER 53 N 0.67 -0.62 0.00 1.36 0.15 0.06 -1.25 113.70 114.07 1bav s SER 53 Ca 0.05 1.14 0.25 0.00 0.70 0.00 0.00 55.95 58.09 1bav s SER 53 Cb -0.13 1.13 0.41 0.00 -1.71 0.00 0.00 66.02 65.73 1bav s SER 53 CO 0.01 -0.26 1.35 0.35 1.20 0.00 0.00 173.24 175.90 1bav n THR 54 N 2.27 0.00 0.00 6.45 -2.24 -1.26 -4.43 114.28 115.07 1bav n THR 54 Ca -0.14 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1bav n THR 54 Cb 0.56 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 1bav n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bav n GLY 55 N 1.40 0.56 2.62 3.38 0.00 -1.26 -5.07 105.19 106.81 1bav n GLY 55 Ca 0.10 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1bav n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bav n GLY 56 N 0.00 -2.32 0.00 -0.02 0.00 -1.26 -4.85 105.19 96.74 1bav n GLY 56 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1bav n GLY 56 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bav n SER 57 N -0.15 -0.11 -3.56 1.61 3.41 -1.26 -4.73 113.62 108.83 1bav n SER 57 Ca 0.00 -0.04 -0.39 0.00 -0.26 0.00 0.00 58.87 58.17 1bav n SER 57 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1bav n SER 57 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bav n ASN 58 N -0.30 3.59 -4.67 4.04 5.15 -1.26 -4.91 115.26 116.91 1bav n ASN 58 Ca 0.00 -2.66 -0.39 0.00 -0.60 0.00 0.00 54.58 50.93 1bav n ASN 58 Cb 0.00 -1.27 0.04 0.00 -0.53 0.00 0.00 39.78 38.02 1bav n ASN 58 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1bav n ARG 59 N 6.14 1.35 -1.65 1.20 1.74 -1.26 -4.89 116.66 119.28 1bav n ARG 59 Ca 0.51 0.50 -0.46 0.00 -0.77 0.00 0.00 57.85 57.63 1bav n ARG 59 Cb 0.35 -2.31 -0.03 0.00 -1.02 0.00 0.00 32.46 29.44 1bav n ARG 59 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1bav n PRO 60 N -0.74 1.90 -4.46 5.56 -0.02 -1.26 -4.69 135.00 131.29 1bav n PRO 60 Ca 0.11 0.68 -0.24 0.00 -2.02 0.00 0.00 63.50 62.03 1bav n PRO 60 Cb 0.44 -2.34 -0.10 0.00 -0.02 0.00 0.00 33.50 31.48 1bav n PRO 60 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bav s ALA 61 N 0.20 2.74 -0.18 3.55 0.00 -0.30 -2.41 121.76 125.35 1bav s ALA 61 Ca 0.72 -1.86 0.01 0.00 0.00 0.00 0.00 51.96 50.84 1bav s ALA 61 Cb -0.70 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.17 1bav s ALA 61 CO 0.47 0.29 -0.16 0.42 0.00 0.00 0.00 175.76 176.78 1bav s ILE 62 N -2.44 1.89 -0.12 0.00 1.01 -0.59 -0.20 121.20 120.76 1bav s ILE 62 Ca 0.29 -0.96 -0.14 0.00 0.00 0.00 0.00 60.65 59.84 1bav s ILE 62 Cb -0.05 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 1bav s ILE 62 CO 0.15 0.40 0.34 0.86 0.00 0.00 0.00 174.94 176.68 1bav s TRP 63 N 1.33 3.54 -0.03 3.97 -0.11 -0.08 -0.24 118.94 127.32 1bav s TRP 63 Ca 0.02 0.73 0.01 0.00 1.22 0.00 0.00 56.10 58.08 1bav s TRP 63 Cb -0.14 -2.34 0.02 0.00 -1.50 0.00 0.00 33.47 29.51 1bav s TRP 63 CO -0.11 0.35 -0.01 0.42 -4.62 0.00 0.00 176.95 172.98 1bav s ILE 64 N 0.06 0.22 -0.01 5.86 1.01 -0.03 -0.40 121.20 127.91 1bav s ILE 64 Ca 0.20 0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.90 1bav s ILE 64 Cb -0.14 -0.29 -0.01 0.00 0.01 0.00 0.00 42.46 42.03 1bav s ILE 64 CO 0.07 0.14 -0.09 1.51 0.00 0.00 0.00 174.94 176.58 1bav s ASP 65 N 0.85 1.01 0.11 3.58 -4.77 -0.53 -1.05 116.67 115.86 1bav s ASP 65 Ca -0.09 -0.16 0.07 0.00 -3.30 0.00 0.00 52.55 49.07 1bav s ASP 65 Cb -0.12 -0.11 -0.03 0.00 -1.09 0.00 0.00 42.92 41.56 1bav s ASP 65 CO -0.01 0.11 -0.16 -0.76 0.70 0.00 0.00 175.17 175.04 1bav s LEU 66 N -0.20 2.34 -0.49 2.11 1.02 -0.16 -1.06 118.68 122.24 1bav s LEU 66 Ca 0.03 -0.73 0.00 0.00 0.02 0.00 0.00 54.13 53.45 1bav s LEU 66 Cb -0.03 -0.66 0.00 0.00 0.02 0.00 0.00 46.19 45.51 1bav s LEU 66 CO -0.00 -0.06 0.00 0.61 0.02 0.00 0.00 176.35 176.92 1bav n GLY 67 N 0.87 0.74 0.33 -3.19 0.00 -1.24 -1.97 105.19 100.72 1bav n GLY 67 Ca -0.18 -0.65 0.16 0.00 0.00 0.00 0.00 46.02 45.35 1bav n GLY 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bav h ILE 68 N 0.00 0.58 -3.63 -0.61 2.10 -1.89 -3.20 117.51 110.86 1bav h ILE 68 Ca -0.10 0.00 -0.70 0.00 1.08 0.00 0.00 64.86 65.14 1bav h ILE 68 Cb 0.36 0.87 -0.27 0.00 -1.09 0.00 0.00 36.82 36.69 1bav h ILE 68 CO 0.14 0.00 -0.57 -1.00 -1.08 0.00 0.00 178.15 175.64 1bav s HIS 69 N -4.74 3.25 0.46 2.19 3.76 -1.26 -4.69 115.29 114.26 1bav s HIS 69 Ca -0.05 -1.26 0.15 0.00 -0.15 0.00 0.00 55.06 53.76 1bav s HIS 69 Cb 0.16 -2.36 1.10 0.00 1.11 0.00 0.00 32.58 32.59 1bav s HIS 69 CO 0.59 -0.70 2.00 0.66 -0.85 0.00 0.00 174.74 176.43 1bav h SER 70 N 8.31 0.28 0.95 1.40 4.64 -1.56 -2.64 113.55 124.93 1bav h SER 70 Ca -0.24 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1bav h SER 70 Cb 1.09 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1bav h SER 70 CO 0.63 0.17 0.00 0.08 -0.87 0.00 0.00 176.83 176.84 1bav h ARG 71 N 0.32 0.00 -4.14 4.77 0.11 -1.71 -3.37 114.38 110.35 1bav h ARG 71 Ca 0.24 0.00 -0.71 0.00 0.10 0.00 0.00 59.98 59.61 1bav h ARG 71 Cb 0.54 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.56 1bav h ARG 71 CO -0.06 0.00 2.91 0.39 0.10 0.00 0.00 179.97 183.32 1bav n GLU 72 N -2.33 2.97 0.07 0.08 1.02 -1.00 -4.73 120.64 116.72 1bav n GLU 72 Ca 0.03 -2.78 0.12 0.00 -0.02 0.00 0.00 57.16 54.51 1bav n GLU 72 Cb 0.29 -3.27 0.60 0.00 -0.02 0.00 0.00 31.44 29.03 1bav n GLU 72 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1bav h TRP 73 N 6.14 0.16 -0.02 -0.32 4.06 -1.78 -1.71 115.95 122.48 1bav h TRP 73 Ca 0.54 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.50 1bav h TRP 73 Cb 0.66 -0.05 -0.00 0.00 -1.00 0.00 0.00 29.16 28.77 1bav h TRP 73 CO 1.43 0.09 0.04 0.97 -3.56 0.00 0.00 178.44 177.40 1bav h ILE 74 N 0.16 0.32 0.10 1.49 6.09 -1.85 -2.68 117.51 121.14 1bav h ILE 74 Ca 0.16 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.64 1bav h ILE 74 Cb 0.41 0.97 0.00 0.00 0.47 0.00 0.00 36.82 38.67 1bav h ILE 74 CO -0.02 0.00 -0.05 0.71 -3.07 0.00 0.00 178.15 175.72 1bav h THR 75 N 0.00 0.76 -0.56 2.19 1.35 -1.64 -1.44 112.91 113.57 1bav h THR 75 Ca 0.01 -1.34 0.03 0.00 -0.55 0.00 0.00 66.41 64.56 1bav h THR 75 Cb 0.08 1.36 -0.03 0.00 -1.73 0.00 0.00 68.15 67.83 1bav h THR 75 CO -0.00 0.23 0.37 1.56 -0.25 0.00 0.00 175.52 177.43 1bav h GLN 76 N -0.96 0.64 -0.45 4.72 7.50 -1.67 0.14 115.11 125.03 1bav h GLN 76 Ca -0.01 -0.04 -0.11 0.00 0.50 0.00 0.00 58.65 58.99 1bav h GLN 76 Cb 0.48 -0.14 -0.02 0.00 0.05 0.00 0.00 27.48 27.85 1bav h GLN 76 CO 0.02 0.42 -0.17 0.00 -1.50 0.00 0.00 178.83 177.60 1bav h ALA 77 N 1.67 0.85 -0.78 3.87 0.00 -1.55 -1.97 119.26 121.35 1bav h ALA 77 Ca 0.22 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1bav h ALA 77 Cb 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1bav h ALA 77 CO -0.06 0.64 0.29 1.15 0.00 0.00 0.00 179.25 181.27 1bav h THR 78 N 0.76 1.26 -0.61 0.00 2.02 0.08 -2.45 112.91 113.97 1bav h THR 78 Ca 0.11 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 1bav h THR 78 Cb 0.70 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1bav h THR 78 CO 0.05 0.35 0.31 1.23 0.37 0.00 0.00 175.52 177.82 1bav h GLY 79 N 1.15 0.93 0.56 2.16 0.00 -0.78 0.19 103.07 107.29 1bav h GLY 79 Ca 0.26 -0.45 0.03 0.00 0.00 0.00 0.00 47.33 47.16 1bav h GLY 79 CO -0.02 0.43 -0.18 -2.08 0.00 0.00 0.00 176.54 174.69 1bav h VAL 80 N 0.83 0.56 -0.76 4.60 2.07 -1.11 -0.83 116.25 121.61 1bav h VAL 80 Ca 0.21 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.75 1bav h VAL 80 Cb 0.10 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1bav h VAL 80 CO -0.03 0.00 0.49 -0.25 0.02 0.00 0.00 177.57 177.80 1bav h TRP 81 N -0.30 0.93 -0.49 1.57 7.01 -1.05 -2.49 115.95 121.13 1bav h TRP 81 Ca 0.06 0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.13 1bav h TRP 81 Cb 0.37 -0.31 -0.05 0.00 -2.10 0.00 0.00 29.16 27.07 1bav h TRP 81 CO -0.23 0.56 0.23 0.74 -2.79 0.00 0.00 178.44 176.95 1bav h PHE 82 N 0.99 0.42 -0.47 2.65 -1.00 -0.21 -1.03 116.94 118.29 1bav h PHE 82 Ca 0.29 0.02 0.06 0.00 2.81 0.00 0.00 57.97 61.15 1bav h PHE 82 Cb -0.05 -0.11 -0.05 0.00 3.61 0.00 0.00 35.95 39.34 1bav h PHE 82 CO -0.03 0.19 0.18 0.00 -1.61 0.00 0.00 178.31 177.05 1bav h ALA 83 N 1.28 0.57 -0.59 2.45 0.00 -0.72 -0.61 119.26 121.63 1bav h ALA 83 Ca 0.22 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 1bav h ALA 83 Cb 0.15 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1bav h ALA 83 CO -0.17 -0.20 -0.01 -0.22 0.00 0.00 0.00 179.25 178.65 1bav h LYS 84 N 0.37 1.05 -0.55 0.00 1.63 -1.22 -2.93 116.57 114.91 1bav h LYS 84 Ca 0.22 -0.33 -0.04 0.00 -0.85 0.00 0.00 60.65 59.65 1bav h LYS 84 Cb 0.20 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.71 1bav h LYS 84 CO -0.21 1.03 0.18 -0.22 -3.45 0.00 0.00 179.45 176.78 1bav h LYS 85 N 0.96 0.82 -0.50 1.90 1.63 -0.57 -1.47 116.57 119.34 1bav h LYS 85 Ca 0.17 -0.14 -0.04 0.00 -0.85 0.00 0.00 60.65 59.78 1bav h LYS 85 Cb 0.56 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 1bav h LYS 85 CO 0.03 0.70 0.13 0.74 -3.45 0.00 0.00 179.45 177.60 1bav h PHE 86 N 0.80 0.77 0.00 1.91 0.04 -0.95 -0.48 116.94 119.03 1bav h PHE 86 Ca 0.18 -0.06 -0.15 0.00 2.80 0.00 0.00 57.97 60.74 1bav h PHE 86 Cb 0.22 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 1bav h PHE 86 CO 0.01 0.65 -0.73 1.79 -0.60 0.00 0.00 178.31 179.43 1bav h THR 87 N 0.73 1.35 0.00 -1.55 1.35 -1.32 -3.13 112.91 110.35 1bav h THR 87 Ca 0.16 -2.66 -0.06 0.00 -0.55 0.00 0.00 66.41 63.31 1bav h THR 87 Cb 0.26 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 1bav h THR 87 CO -0.00 0.72 -0.22 -0.33 -0.25 0.00 0.00 175.52 175.43 1bav h GLU 88 N 0.00 0.14 0.00 4.72 5.08 -0.72 -3.36 114.58 120.44 1bav h GLU 88 Ca -0.01 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1bav h GLU 88 Cb 1.45 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1bav h GLU 88 CO 0.09 0.92 0.00 -0.91 -1.00 0.00 0.00 179.01 178.12 1bav h ASN 89 N -0.57 0.00 -2.85 1.42 4.21 -1.22 -3.41 115.58 113.16 1bav h ASN 89 Ca -0.03 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 56.95 1bav h ASN 89 Cb 1.00 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 38.22 1bav h ASN 89 CO 0.04 0.00 0.86 -0.47 -1.29 0.00 0.00 177.43 176.57 1bav s TYR 90 N -3.14 2.86 0.00 1.19 5.04 -1.18 -0.74 117.35 121.38 1bav s TYR 90 Ca 0.10 0.68 0.00 0.00 -2.44 0.00 0.00 57.07 55.40 1bav s TYR 90 Cb 0.12 -3.80 0.00 0.00 0.35 0.00 0.00 41.96 38.63 1bav s TYR 90 CO 0.57 -3.00 0.00 0.41 -1.34 0.00 0.00 175.55 172.20 1bav n GLY 91 N 3.72 3.18 0.19 8.97 0.00 -1.26 -4.87 105.19 115.12 1bav n GLY 91 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 1bav n GLY 91 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bav n GLN 92 N -2.00 0.35 -2.90 1.61 1.13 0.08 -4.96 117.38 110.69 1bav n GLN 92 Ca 0.00 0.14 -0.41 0.00 -1.94 0.00 0.00 57.00 54.78 1bav n GLN 92 Cb 0.00 -1.10 -0.04 0.00 0.11 0.00 0.00 30.24 29.21 1bav n GLN 92 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1bav s ASN 93 N -5.47 6.91 0.18 1.08 2.47 -0.27 -4.98 114.94 114.86 1bav s ASN 93 Ca -0.19 1.13 -0.18 0.00 0.42 0.00 0.00 52.86 54.03 1bav s ASN 93 Cb 0.03 -2.44 0.14 0.00 -1.45 0.00 0.00 41.25 37.52 1bav s ASN 93 CO 0.28 -0.41 1.62 -0.65 -3.72 0.00 0.00 177.10 174.22 1bav h PRO 94 N 7.40 -0.11 -0.31 0.43 0.11 -1.93 -0.10 132.00 137.50 1bav h PRO 94 Ca -0.28 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 1bav h PRO 94 Cb 1.12 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1bav h PRO 94 CO 0.84 -0.07 -0.13 1.03 -0.21 0.00 0.00 178.00 179.46 1bav h SER 95 N -0.11 0.64 -0.64 -2.05 0.87 -1.97 -1.91 113.55 108.37 1bav h SER 95 Ca 0.23 -0.40 -0.06 0.00 -1.23 0.00 0.00 61.79 60.33 1bav h SER 95 Cb 0.47 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 1bav h SER 95 CO -0.56 0.89 0.16 0.15 -0.53 0.00 0.00 176.83 176.94 1bav h PHE 96 N 0.38 1.09 -0.26 2.24 3.57 -1.82 -1.78 116.94 120.36 1bav h PHE 96 Ca 0.07 -0.12 -0.05 0.00 3.53 0.00 0.00 57.97 61.40 1bav h PHE 96 Cb 0.64 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1bav h PHE 96 CO 0.06 0.89 -0.08 0.00 -2.23 0.00 0.00 178.31 176.95 1bav h THR 97 N 1.00 1.20 -0.25 4.41 1.03 -0.93 -1.42 112.91 117.95 1bav h THR 97 Ca 0.21 -0.84 -0.02 0.00 -0.01 0.00 0.00 66.41 65.75 1bav h THR 97 Cb 0.35 1.09 -0.01 0.00 -1.07 0.00 0.00 68.15 68.51 1bav h THR 97 CO 0.00 0.28 0.09 0.00 -0.01 0.00 0.00 175.52 175.87 1bav h ALA 98 N 1.53 0.33 -0.60 0.00 0.00 -0.68 -0.69 119.26 119.15 1bav h ALA 98 Ca 0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1bav h ALA 98 Cb 0.39 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1bav h ALA 98 CO 0.02 -0.05 0.23 0.82 0.00 0.00 0.00 179.25 180.27 1bav h ILE 99 N 0.24 1.23 0.00 0.00 2.04 -1.01 -2.80 117.51 117.22 1bav h ILE 99 Ca 0.08 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.21 1bav h ILE 99 Cb 0.22 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1bav h ILE 99 CO -0.00 0.28 0.00 0.18 0.00 0.00 0.00 178.15 178.61 1bav n LEU 100 N -4.45 0.75 -0.04 1.44 4.77 -0.56 -0.29 117.00 118.61 1bav n LEU 100 Ca 0.04 0.61 0.13 0.00 -0.03 0.00 0.00 56.01 56.75 1bav n LEU 100 Cb 0.17 -0.41 0.45 0.00 -2.33 0.00 0.00 43.42 41.30 1bav n LEU 100 CO 0.39 -0.31 0.72 0.47 -1.33 0.00 0.00 177.39 177.33 1bav n ASP 101 N -2.24 0.38 0.00 -1.43 8.00 -0.28 -4.06 116.55 116.92 1bav n ASP 101 Ca 0.04 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1bav n ASP 101 Cb 0.36 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1bav n ASP 101 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1bav n SER 102 N -1.32 1.52 -4.14 -2.24 7.64 -1.02 -5.01 113.62 109.06 1bav n SER 102 Ca 0.08 -0.13 -0.10 0.00 1.01 0.00 0.00 58.87 59.73 1bav n SER 102 Cb 0.32 0.57 -0.10 0.00 -1.01 0.00 0.00 64.21 63.99 1bav n SER 102 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1bav s MET 103 N -0.88 0.75 0.18 1.43 -1.94 0.61 -4.39 119.30 115.07 1bav s MET 103 Ca 0.00 -1.26 0.06 0.00 -1.71 0.00 0.00 55.69 52.78 1bav s MET 103 Cb 0.00 -0.12 -0.04 0.00 2.01 0.00 0.00 34.83 36.69 1bav s MET 103 CO 0.00 -0.03 0.13 -0.51 -0.01 0.00 0.00 175.02 174.60 1bav s ASP 104 N -2.88 5.42 -0.09 3.03 1.01 -1.01 -4.32 116.67 117.83 1bav s ASP 104 Ca 0.09 -0.19 0.03 0.00 0.71 0.00 0.00 52.55 53.19 1bav s ASP 104 Cb 0.04 -1.38 0.01 0.00 1.01 0.00 0.00 42.92 42.60 1bav s ASP 104 CO -0.05 0.05 -0.19 -0.63 0.21 0.00 0.00 175.17 174.55 1bav s ILE 105 N -1.83 1.69 -0.17 0.77 1.01 -0.38 -1.54 121.20 120.75 1bav s ILE 105 Ca 0.31 -0.80 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 1bav s ILE 105 Cb -0.09 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1bav s ILE 105 CO 0.23 0.48 -0.04 -0.36 0.00 0.00 0.00 174.94 175.25 1bav s PHE 106 N 0.47 2.99 -0.22 3.97 0.40 0.67 -0.33 117.98 125.93 1bav s PHE 106 Ca -0.17 -0.44 -0.00 0.00 -0.60 0.00 0.00 56.93 55.72 1bav s PHE 106 Cb -0.17 -1.98 0.06 0.00 0.51 0.00 0.00 43.02 41.44 1bav s PHE 106 CO 0.07 -0.15 -0.03 -1.17 0.70 0.00 0.00 175.22 174.64 1bav s LEU 107 N 0.59 2.16 -0.54 -0.37 2.96 -0.18 -0.85 118.68 122.44 1bav s LEU 107 Ca -0.03 -1.05 -0.17 0.00 -0.22 0.00 0.00 54.13 52.66 1bav s LEU 107 Cb -0.14 -1.02 0.11 0.00 0.50 0.00 0.00 46.19 45.64 1bav s LEU 107 CO 0.03 -0.25 0.53 -0.70 -1.32 0.00 0.00 176.35 174.63 1bav s GLU 108 N 1.53 3.00 0.08 1.98 2.12 -0.21 -1.41 118.70 125.79 1bav s GLU 108 Ca -0.04 -1.55 -0.17 0.00 0.36 0.00 0.00 54.97 53.57 1bav s GLU 108 Cb -0.18 -4.26 -0.09 0.00 0.26 0.00 0.00 34.13 29.85 1bav s GLU 108 CO -0.07 -1.32 1.44 0.82 -0.54 0.00 0.00 175.26 175.59 1bav h ILE 109 N 5.87 1.30 -3.13 -3.70 2.04 -1.83 -0.41 117.51 117.66 1bav h ILE 109 Ca -0.30 -1.23 -0.62 0.00 1.00 0.00 0.00 64.86 63.71 1bav h ILE 109 Cb 1.10 1.57 -0.41 0.00 -0.74 0.00 0.00 36.82 38.34 1bav h ILE 109 CO 1.02 0.38 -0.67 -0.69 0.00 0.00 0.00 178.15 178.20 1bav s VAL 110 N -4.56 2.18 0.29 1.67 1.01 -1.26 -4.36 120.40 115.37 1bav s VAL 110 Ca -0.13 -3.29 0.21 0.00 0.00 0.00 0.00 61.98 58.76 1bav s VAL 110 Cb 0.07 -2.49 0.18 0.00 0.00 0.00 0.00 36.38 34.15 1bav s VAL 110 CO 0.78 -0.90 1.87 0.74 0.00 0.00 0.00 175.10 177.59 1bav h THR 111 N 5.10 0.84 -3.00 3.92 2.02 -1.57 -3.34 112.91 116.87 1bav h THR 111 Ca 0.02 -1.10 -0.62 0.00 0.77 0.00 0.00 66.41 65.48 1bav h THR 111 Cb 0.87 1.67 -0.41 0.00 -1.74 0.00 0.00 68.15 68.53 1bav h THR 111 CO 0.62 0.27 -0.65 0.21 0.37 0.00 0.00 175.52 176.34 1bav s ASN 112 N -6.45 4.20 0.13 4.18 3.04 -1.24 -4.91 114.94 113.89 1bav s ASN 112 Ca -0.01 -3.57 -0.19 0.00 0.04 0.00 0.00 52.86 49.13 1bav s ASN 112 Cb 0.12 -1.42 -0.03 0.00 -1.54 0.00 0.00 41.25 38.38 1bav s ASN 112 CO 0.66 -0.12 1.77 -0.65 -3.04 0.00 0.00 177.10 175.72 1bav h PRO 113 N 5.63 0.28 0.34 0.43 0.11 -1.92 -2.10 132.00 134.78 1bav h PRO 113 Ca 0.13 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 1bav h PRO 113 Cb 0.80 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1bav h PRO 113 CO 0.65 0.19 -0.17 -0.91 -0.21 0.00 0.00 178.00 177.55 1bav h ASN 114 N 0.29 -0.39 -0.87 -2.05 -0.26 -1.95 -1.51 115.58 108.85 1bav h ASN 114 Ca 0.10 -0.03 0.06 0.00 -0.56 0.00 0.00 56.30 55.88 1bav h ASN 114 Cb 0.01 0.10 -0.06 0.00 -1.06 0.00 0.00 38.32 37.30 1bav h ASN 114 CO -0.05 -0.23 0.54 1.23 -1.06 0.00 0.00 177.43 177.86 1bav h GLY 115 N -0.53 1.31 0.98 2.83 0.00 -1.75 -0.80 103.07 105.11 1bav h GLY 115 Ca -0.05 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1bav h GLY 115 CO 0.08 0.26 -0.08 -2.75 0.00 0.00 0.00 176.54 174.05 1bav h PHE 116 N 0.98 -0.20 -0.78 5.60 3.57 -1.17 -0.33 116.94 124.60 1bav h PHE 116 Ca 0.38 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.97 1bav h PHE 116 Cb 0.18 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.91 1bav h PHE 116 CO -0.03 -0.10 0.43 0.00 -2.23 0.00 0.00 178.31 176.37 1bav h ALA 117 N 0.59 1.11 -0.54 2.41 0.00 -0.93 -0.59 119.26 121.31 1bav h ALA 117 Ca -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1bav h ALA 117 Cb 0.19 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1bav h ALA 117 CO 0.04 0.03 0.28 0.35 0.00 0.00 0.00 179.25 179.94 1bav h PHE 118 N 0.71 0.74 0.00 0.00 3.57 -0.54 -1.03 116.94 120.38 1bav h PHE 118 Ca 0.38 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.87 1bav h PHE 118 Cb 0.39 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1bav h PHE 118 CO -0.08 0.53 0.00 1.79 -2.23 0.00 0.00 178.31 178.32 1bav h THR 119 N 0.75 0.00 0.00 4.41 1.35 0.56 0.73 112.91 120.71 1bav h THR 119 Ca 0.19 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1bav h THR 119 Cb 0.05 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1bav h THR 119 CO -0.03 0.00 -1.23 1.41 -0.25 0.00 0.00 175.52 175.42 1bav n HIS 120 N -2.30 0.40 0.00 4.73 8.25 -0.42 -3.68 115.22 122.21 1bav n HIS 120 Ca 0.02 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1bav n HIS 120 Cb 0.26 -0.58 0.00 0.00 1.12 0.00 0.00 29.99 30.79 1bav n HIS 120 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1bav n SER 121 N -2.21 3.27 0.00 0.41 3.41 -1.07 -5.00 113.62 112.43 1bav n SER 121 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1bav n SER 121 Cb 0.49 0.60 0.00 0.00 -0.26 0.00 0.00 64.21 65.04 1bav n SER 121 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1bav n GLU 122 N -1.07 0.00 -3.86 4.33 -0.58 0.18 -5.05 120.64 114.59 1bav n GLU 122 Ca 0.00 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 1bav n GLU 122 Cb 0.06 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 30.77 1bav n GLU 122 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1bav s ASN 123 N -4.93 3.81 0.63 1.62 3.84 -0.79 -4.99 114.94 114.13 1bav s ASN 123 Ca 0.00 -1.31 0.39 0.00 0.21 0.00 0.00 52.86 52.14 1bav s ASN 123 Cb 0.00 -1.04 2.10 0.00 -0.55 0.00 0.00 41.25 41.76 1bav s ASN 123 CO 0.00 -0.30 2.18 -0.09 -2.79 0.00 0.00 177.10 176.10 1bav h ARG 124 N 8.00 0.00 -0.46 0.43 9.65 -1.80 -1.52 114.38 128.68 1bav h ARG 124 Ca -0.15 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.73 1bav h ARG 124 Cb 1.06 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 1bav h ARG 124 CO 0.42 0.00 0.00 1.28 2.80 0.00 0.00 179.97 184.47 1bav n LEU 125 N -2.94 4.13 -4.74 3.80 4.77 -1.26 -4.62 117.00 116.15 1bav n LEU 125 Ca -0.03 -2.53 -0.41 0.00 -0.03 0.00 0.00 56.01 53.01 1bav n LEU 125 Cb 0.15 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.71 1bav n LEU 125 CO 0.17 0.74 0.84 0.86 -1.33 0.00 0.00 177.39 178.68 1bav s TRP 126 N -1.98 3.50 0.00 -1.77 -0.11 -0.57 -4.86 118.94 113.15 1bav s TRP 126 Ca 0.42 1.49 0.00 0.00 1.22 0.00 0.00 56.10 59.23 1bav s TRP 126 Cb 0.29 -3.36 0.00 0.00 -1.50 0.00 0.00 33.47 28.90 1bav s TRP 126 CO 0.17 -0.95 0.00 2.89 -4.62 0.00 0.00 176.95 174.44 1bav n ARG 127 N 2.60 3.95 -2.25 5.86 -4.01 -1.26 -2.27 116.66 119.29 1bav n ARG 127 Ca 0.04 0.00 -0.20 0.00 -1.04 0.00 0.00 57.85 56.65 1bav n ARG 127 Cb 0.45 -0.30 0.10 0.00 -3.04 0.00 0.00 32.46 29.68 1bav n ARG 127 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 1bav n LYS 128 N -0.58 -0.04 -0.23 2.89 5.02 -1.26 -3.39 118.16 120.58 1bav n LYS 128 Ca 0.00 -2.29 -0.04 0.00 -2.02 0.00 0.00 58.31 53.96 1bav n LYS 128 Cb 0.00 -0.58 0.03 0.00 -0.02 0.00 0.00 35.03 34.46 1bav n LYS 128 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1bav n THR 129 N -2.66 0.00 -1.87 -0.18 -2.24 -0.36 -4.37 114.28 102.59 1bav n THR 129 Ca 0.14 -0.11 0.05 0.00 -2.27 0.00 0.00 64.05 61.86 1bav n THR 129 Cb 0.50 -1.56 0.15 0.00 -2.10 0.00 0.00 70.33 67.33 1bav n THR 129 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1bav n ARG 130 N -1.65 1.15 -2.40 -0.78 5.12 -1.26 -4.10 116.66 112.74 1bav n ARG 130 Ca 0.02 -2.94 -0.38 0.00 -1.93 0.00 0.00 57.85 52.62 1bav n ARG 130 Cb 0.08 -1.16 -0.03 0.00 -1.16 0.00 0.00 32.46 30.20 1bav n ARG 130 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1bav s SER 131 N -2.89 6.76 0.00 0.55 1.04 -1.26 -4.63 113.70 113.27 1bav s SER 131 Ca 0.37 2.25 0.00 0.00 0.48 0.00 0.00 55.95 59.05 1bav s SER 131 Cb 0.38 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1bav s SER 131 CO -0.10 -0.50 0.00 1.33 0.98 0.00 0.00 173.24 174.95 1bav n VAL 132 N 0.30 0.00 -3.73 5.02 0.24 -1.26 -0.06 118.33 118.83 1bav n VAL 132 Ca 0.03 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.15 1bav n VAL 132 Cb 0.47 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.84 1bav n VAL 132 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1bav n THR 133 N 0.00 -1.09 -3.63 3.34 -1.04 -1.26 -4.90 114.28 105.70 1bav n THR 133 Ca 0.00 -0.20 -0.04 0.00 -2.04 0.00 0.00 64.05 61.77 1bav n THR 133 Cb 0.00 -0.94 -0.01 0.00 -1.82 0.00 0.00 70.33 67.57 1bav n THR 133 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1bav n SER 134 N -0.38 -0.48 -2.22 8.00 2.88 -1.26 -5.05 113.62 115.10 1bav n SER 134 Ca -0.06 -1.58 -0.29 0.00 -1.33 0.00 0.00 58.87 55.61 1bav n SER 134 Cb 0.24 0.88 0.06 0.00 -0.75 0.00 0.00 64.21 64.63 1bav n SER 134 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1bav n SER 135 N -1.82 7.25 -4.07 -3.46 7.64 -1.26 -4.95 113.62 112.95 1bav n SER 135 Ca -0.00 -3.53 -0.10 0.00 1.01 0.00 0.00 58.87 56.25 1bav n SER 135 Cb 0.18 -1.02 -0.08 0.00 -1.01 0.00 0.00 64.21 62.29 1bav n SER 135 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1bav s SER 136 N -1.04 0.05 0.03 6.43 0.15 -1.26 -5.03 113.70 113.04 1bav s SER 136 Ca 0.53 -1.09 0.16 0.00 0.70 0.00 0.00 55.95 56.25 1bav s SER 136 Cb 0.41 0.46 -0.16 0.00 -1.71 0.00 0.00 66.02 65.02 1bav s SER 136 CO -0.04 -0.95 0.76 0.00 1.20 0.00 0.00 173.24 174.21 1bav n LEU 137 N -0.28 0.80 -4.81 3.45 -0.00 -1.26 -4.91 117.00 110.00 1bav n LEU 137 Ca -0.02 0.36 -0.34 0.00 -0.00 0.00 0.00 56.01 56.00 1bav n LEU 137 Cb 0.64 0.10 -0.06 0.00 -0.00 0.00 0.00 43.42 44.10 1bav n LEU 137 CO 0.27 0.19 0.66 0.00 -0.00 0.00 0.00 177.39 178.51 1bav s VAL 139 N -1.98 2.58 0.00 0.00 -7.23 -1.26 -4.91 120.40 107.60 1bav s VAL 139 Ca 0.59 -2.19 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 1bav s VAL 139 Cb -0.13 -2.31 0.00 0.00 0.56 0.00 0.00 36.38 34.50 1bav s VAL 139 CO 0.17 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 1bav n GLY 140 N -0.31 -0.62 3.10 2.32 0.00 0.91 -4.87 105.19 105.72 1bav n GLY 140 Ca -0.08 -1.64 -0.15 0.00 0.00 0.00 0.00 46.02 44.15 1bav n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bav s VAL 141 N -2.92 0.75 -0.58 1.61 1.01 -1.26 -4.85 120.40 114.16 1bav s VAL 141 Ca 0.00 -1.12 -0.28 0.00 0.00 0.00 0.00 61.98 60.58 1bav s VAL 141 Cb 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.64 1bav s VAL 141 CO 0.00 -0.30 1.17 -0.62 0.00 0.00 0.00 175.10 175.36 1bav s ASP 142 N -1.56 6.43 0.14 3.32 -1.08 0.11 -1.23 116.67 122.79 1bav s ASP 142 Ca -0.06 0.04 0.11 0.00 -0.52 0.00 0.00 52.55 52.12 1bav s ASP 142 Cb -0.10 -2.54 0.57 0.00 -1.46 0.00 0.00 42.92 39.40 1bav s ASP 142 CO 0.01 -1.48 1.35 0.00 0.52 0.00 0.00 175.17 175.58 1bav n ALA 143 N 8.40 1.16 -0.67 3.66 0.00 -1.26 -1.04 120.51 130.75 1bav n ALA 143 Ca 0.08 0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.68 1bav n ALA 143 Cb 0.49 -1.17 0.36 0.00 0.00 0.00 0.00 19.45 19.12 1bav n ALA 143 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1bav n ASN 144 N -1.83 4.82 0.00 0.00 5.15 -1.26 -3.98 115.26 118.15 1bav n ASN 144 Ca 0.00 -2.53 0.00 0.00 -0.60 0.00 0.00 54.58 51.45 1bav n ASN 144 Cb 0.05 -0.58 0.00 0.00 -0.53 0.00 0.00 39.78 38.72 1bav n ASN 144 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1bav n ARG 145 N 0.96 1.12 -0.08 1.20 5.12 -0.21 -3.50 116.66 121.26 1bav n ARG 145 Ca 0.26 -0.86 0.11 0.00 -1.93 0.00 0.00 57.85 55.42 1bav n ARG 145 Cb 0.92 -0.78 0.14 0.00 -1.16 0.00 0.00 32.46 31.59 1bav n ARG 145 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1bav n ASN 146 N -0.21 3.08 -4.89 0.55 4.05 -0.79 -4.35 115.26 112.71 1bav n ASN 146 Ca 0.00 -1.94 -0.29 0.00 0.45 0.00 0.00 54.58 52.80 1bav n ASN 146 Cb 0.30 -0.11 0.01 0.00 1.23 0.00 0.00 39.78 41.21 1bav n ASN 146 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 1bav s TRP 147 N -1.64 3.54 -1.37 1.20 0.52 0.08 -0.23 118.94 121.04 1bav s TRP 147 Ca 0.31 1.02 -0.09 0.00 0.02 0.00 0.00 56.10 57.36 1bav s TRP 147 Cb 0.20 -2.60 0.09 0.00 -1.15 0.00 0.00 33.47 30.01 1bav s TRP 147 CO 0.29 -0.60 2.26 -3.47 0.02 0.00 0.00 176.95 175.45 1bav n ASP 148 N -2.58 6.46 -3.50 2.95 2.03 -1.26 -4.22 116.55 116.43 1bav n ASP 148 Ca 0.04 -3.00 -0.24 0.00 0.52 0.00 0.00 54.79 52.11 1bav n ASP 148 Cb 0.55 -1.48 -0.13 0.00 -0.72 0.00 0.00 41.12 39.34 1bav n ASP 148 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bav s ALA 149 N 0.54 0.15 -1.85 -1.67 0.00 -1.26 -4.78 121.76 112.90 1bav s ALA 149 Ca 0.50 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1bav s ALA 149 Cb 0.14 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.81 1bav s ALA 149 CO -0.05 -1.55 0.00 0.41 0.00 0.00 0.00 175.76 174.57 1bav n GLY 150 N 5.28 0.50 3.57 0.00 0.00 -1.26 -1.23 105.19 112.05 1bav n GLY 150 Ca -0.05 -0.06 -0.51 0.00 0.00 0.00 0.00 46.02 45.39 1bav n GLY 150 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1bav n PHE 151 N -3.38 1.26 -0.17 1.61 7.35 -1.26 -1.54 117.46 121.34 1bav n PHE 151 Ca -0.22 0.71 0.00 0.00 -0.76 0.00 0.00 57.45 57.18 1bav n PHE 151 Cb 0.66 -2.27 0.00 0.00 0.35 0.00 0.00 39.48 38.22 1bav n PHE 151 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1bav n GLY 152 N 2.18 2.65 3.81 7.13 0.00 -1.26 -5.00 105.19 114.69 1bav n GLY 152 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1bav n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bav s LYS 153 N -0.00 0.66 0.23 1.61 1.02 -0.59 -4.95 119.74 117.72 1bav s LYS 153 Ca 0.00 0.01 -0.31 0.00 0.02 0.00 0.00 55.97 55.69 1bav s LYS 153 Cb 0.00 -1.81 -0.14 0.00 -0.52 0.00 0.00 37.83 35.36 1bav s LYS 153 CO 0.00 -2.47 1.20 0.00 -0.92 0.00 0.00 175.35 173.16 1bav n ALA 154 N -3.90 0.03 0.00 5.17 0.00 -1.26 -3.68 120.51 116.87 1bav n ALA 154 Ca 0.10 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1bav n ALA 154 Cb 0.60 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.94 1bav n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bav n GLY 155 N 1.78 1.12 3.20 0.00 0.00 -1.26 -3.87 105.19 106.15 1bav n GLY 155 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1bav n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bav s ALA 156 N -1.45 -0.25 0.11 4.61 0.00 -1.24 -3.48 121.76 120.05 1bav s ALA 156 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.43 1bav s ALA 156 Cb 0.00 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 1bav s ALA 156 CO 0.00 -0.47 0.26 0.45 0.00 0.00 0.00 175.76 176.00 1bav s SER 157 N -2.66 6.36 0.00 0.00 0.15 -0.91 -4.91 113.70 111.73 1bav s SER 157 Ca 0.02 0.25 0.21 0.00 0.70 0.00 0.00 55.95 57.13 1bav s SER 157 Cb 0.03 -1.95 0.40 0.00 -1.71 0.00 0.00 66.02 62.80 1bav s SER 157 CO -0.09 0.11 1.35 -0.24 1.20 0.00 0.00 173.24 175.56 1bav n SER 158 N -0.11 3.33 -4.61 5.45 2.88 -1.26 -1.27 113.62 118.04 1bav n SER 158 Ca -0.06 -1.95 -0.42 0.00 -1.33 0.00 0.00 58.87 55.11 1bav n SER 158 Cb 0.52 -0.25 -0.04 0.00 -0.75 0.00 0.00 64.21 63.69 1bav n SER 158 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1bav s SER 159 N -1.33 6.69 0.39 -3.46 0.01 -1.26 -4.96 113.70 109.77 1bav s SER 159 Ca 0.36 0.65 0.16 0.00 1.31 0.00 0.00 55.95 58.43 1bav s SER 159 Cb 0.21 -2.44 1.04 0.00 0.21 0.00 0.00 66.02 65.04 1bav s SER 159 CO 0.28 -0.73 1.79 -0.65 0.41 0.00 0.00 173.24 174.35 1bav h PRO 160 N 8.25 0.45 0.00 12.44 0.11 -1.95 0.04 132.00 151.34 1bav h PRO 160 Ca -0.24 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1bav h PRO 160 Cb 1.09 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1bav h PRO 160 CO 0.93 0.30 -0.11 0.00 -0.21 0.00 0.00 178.00 178.90 1bav s SER 162 N -3.57 5.84 0.00 0.00 0.15 0.00 -4.89 113.70 111.24 1bav s SER 162 Ca 0.12 2.93 0.22 0.00 0.70 0.00 0.00 55.95 59.91 1bav s SER 162 Cb 0.16 -2.65 1.01 0.00 -1.71 0.00 0.00 66.02 62.83 1bav s SER 162 CO 0.59 -1.20 1.71 -0.62 1.20 0.00 0.00 173.24 174.91 1bav n GLU 163 N -0.23 0.14 -0.44 5.44 -0.58 -1.26 -2.75 120.64 120.96 1bav n GLU 163 Ca 0.05 0.11 0.07 0.00 -0.42 0.00 0.00 57.16 56.97 1bav n GLU 163 Cb 0.42 -1.50 0.15 0.00 -0.57 0.00 0.00 31.44 29.93 1bav n GLU 163 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1bav n THR 164 N -1.40 1.70 -1.73 2.62 -2.24 -1.26 -4.60 114.28 107.36 1bav n THR 164 Ca 0.08 -2.36 -0.42 0.00 -2.27 0.00 0.00 64.05 59.07 1bav n THR 164 Cb 0.22 -0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 1bav n THR 164 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1bav s TYR 165 N -2.54 2.76 -0.63 4.78 5.04 -1.11 -2.13 117.35 123.52 1bav s TYR 165 Ca 0.32 0.28 0.25 0.00 -2.44 0.00 0.00 57.07 55.47 1bav s TYR 165 Cb 0.30 -4.15 0.62 0.00 0.35 0.00 0.00 41.96 39.09 1bav s TYR 165 CO -0.03 -4.41 1.68 1.12 -1.34 0.00 0.00 175.55 172.56 1bav h HIS 166 N 7.14 0.00 0.00 4.97 2.07 -1.45 0.36 115.15 128.24 1bav h HIS 166 Ca -0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 1bav h HIS 166 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 1bav h HIS 166 CO 0.67 0.00 0.00 0.41 -3.07 0.00 0.00 177.93 175.94 1bav n GLY 167 N 1.25 0.89 0.15 6.13 0.00 -1.26 -4.29 105.19 108.05 1bav n GLY 167 Ca 0.05 -1.88 -0.08 0.00 0.00 0.00 0.00 46.02 44.11 1bav n GLY 167 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1bav h LYS 168 N 0.00 0.33 -3.62 1.61 2.10 -1.99 -3.46 116.57 111.55 1bav h LYS 168 Ca 0.00 -0.02 -0.07 0.00 -2.00 0.00 0.00 60.65 58.56 1bav h LYS 168 Cb 0.00 -0.07 -0.12 0.00 -0.90 0.00 0.00 32.23 31.14 1bav h LYS 168 CO 0.00 0.22 -0.18 1.52 -2.00 0.00 0.00 179.45 179.01 1bav s TYR 169 N -6.16 0.12 0.19 0.07 -0.85 -1.26 -5.08 117.35 104.38 1bav s TYR 169 Ca -0.13 -0.48 -0.33 0.00 -0.52 0.00 0.00 57.07 55.61 1bav s TYR 169 Cb 0.11 0.13 -0.14 0.00 0.38 0.00 0.00 41.96 42.44 1bav s TYR 169 CO 0.71 -0.76 1.53 0.00 -1.52 0.00 0.00 175.55 175.50 1bav n ALA 170 N -0.24 1.39 -1.42 9.51 0.00 -1.26 -1.84 120.51 126.65 1bav n ALA 170 Ca -0.10 0.43 -0.14 0.00 0.00 0.00 0.00 53.44 53.63 1bav n ALA 170 Cb 0.63 -2.34 -0.06 0.00 0.00 0.00 0.00 19.45 17.68 1bav n ALA 170 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1bav n ASN 171 N 2.96 -4.77 0.24 0.00 5.03 0.68 -4.90 115.26 114.50 1bav n ASN 171 Ca 0.15 0.36 0.07 0.00 0.87 0.00 0.00 54.58 56.02 1bav n ASN 171 Cb 0.30 -3.53 0.59 0.00 -1.02 0.00 0.00 39.78 36.12 1bav n ASN 171 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1bav h SER 172 N 0.00 0.02 -3.35 6.41 4.64 -1.60 -3.39 113.55 116.28 1bav h SER 172 Ca -0.29 -0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.49 1bav h SER 172 Cb 0.95 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1bav h SER 172 CO 0.43 0.06 0.46 -1.61 -0.87 0.00 0.00 176.83 175.31 1bav s GLU 173 N -4.96 4.52 0.44 4.77 0.41 -1.26 -4.92 118.70 117.70 1bav s GLU 173 Ca -0.05 1.61 0.12 0.00 -0.41 0.00 0.00 54.97 56.24 1bav s GLU 173 Cb 0.17 -3.38 0.99 0.00 -1.78 0.00 0.00 34.13 30.12 1bav s GLU 173 CO 0.68 -0.10 2.04 -0.24 -0.49 0.00 0.00 175.26 177.15 1bav h VAL 174 N 4.49 1.09 0.00 2.63 3.04 -1.92 -0.29 116.25 125.29 1bav h VAL 174 Ca -0.42 -0.34 -0.07 0.00 -1.01 0.00 0.00 66.70 64.85 1bav h VAL 174 Cb 1.22 0.96 -0.01 0.00 -2.01 0.00 0.00 31.29 31.45 1bav h VAL 174 CO 0.77 0.12 -0.36 -0.33 -1.01 0.00 0.00 177.57 176.76 1bav h GLU 175 N 0.21 0.00 0.08 4.17 3.07 -1.91 0.81 114.58 121.01 1bav h GLU 175 Ca 0.05 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.72 1bav h GLU 175 Cb 0.13 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1bav h GLU 175 CO 0.00 0.36 -0.94 0.28 -1.40 0.00 0.00 179.01 177.31 1bav h VAL 176 N 0.00 1.30 -0.67 3.13 2.07 -1.56 -3.36 116.25 117.16 1bav h VAL 176 Ca -0.00 -2.39 0.01 0.00 0.82 0.00 0.00 66.70 65.14 1bav h VAL 176 Cb 0.68 2.91 -0.03 0.00 -1.52 0.00 0.00 31.29 33.32 1bav h VAL 176 CO 0.05 0.63 0.44 0.50 0.02 0.00 0.00 177.57 179.20 1bav h LYS 177 N -0.58 0.85 -0.92 1.57 1.63 -0.97 -2.18 116.57 115.98 1bav h LYS 177 Ca -0.21 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.58 1bav h LYS 177 Cb 1.50 -0.19 -0.05 0.00 -0.60 0.00 0.00 32.23 32.89 1bav h LYS 177 CO 0.03 0.56 0.60 0.77 -3.45 0.00 0.00 179.45 177.97 1bav h SER 178 N 0.88 1.00 -0.00 4.20 0.02 -0.98 -0.86 113.55 117.80 1bav h SER 178 Ca 0.25 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.13 1bav h SER 178 Cb -0.06 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.25 1bav h SER 178 CO -0.06 0.69 -0.24 0.40 -1.14 0.00 0.00 176.83 176.48 1bav h ILE 179 N 1.16 1.54 -0.50 3.27 2.04 -1.61 -3.08 117.51 120.33 1bav h ILE 179 Ca 0.37 -1.92 0.06 0.00 1.00 0.00 0.00 64.86 64.36 1bav h ILE 179 Cb 0.01 2.74 -0.05 0.00 -0.74 0.00 0.00 36.82 38.78 1bav h ILE 179 CO -0.11 0.53 0.22 0.58 0.00 0.00 0.00 178.15 179.37 1bav h VAL 180 N -0.50 0.90 -0.60 1.67 2.07 -1.19 0.12 116.25 118.73 1bav h VAL 180 Ca -0.03 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 1bav h VAL 180 Cb 0.99 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1bav h VAL 180 CO 0.05 0.08 0.00 0.44 0.02 0.00 0.00 177.57 178.16 1bav h ASP 181 N 0.44 1.02 -0.20 0.57 3.32 -1.29 -0.52 116.42 119.76 1bav h ASP 181 Ca 0.23 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 1bav h ASP 181 Cb 0.19 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 1bav h ASP 181 CO -0.20 1.07 -0.12 0.15 -1.72 0.00 0.00 179.24 178.42 1bav h PHE 182 N 0.96 0.51 -0.39 4.55 3.57 -1.33 -0.58 116.94 124.23 1bav h PHE 182 Ca 0.17 -0.14 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 1bav h PHE 182 Cb 0.55 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1bav h PHE 182 CO 0.04 0.75 -0.19 0.28 -2.23 0.00 0.00 178.31 176.96 1bav h VAL 183 N 0.13 1.28 -0.20 1.41 2.07 -0.73 -2.39 116.25 117.81 1bav h VAL 183 Ca 0.04 -1.32 -0.05 0.00 0.82 0.00 0.00 66.70 66.19 1bav h VAL 183 Cb 0.63 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1bav h VAL 183 CO 0.03 0.44 -0.08 0.11 0.02 0.00 0.00 177.57 178.10 1bav h LYS 184 N 0.63 0.41 -0.37 1.57 1.57 -1.09 -2.20 116.57 117.10 1bav h LYS 184 Ca 0.09 -0.17 0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1bav h LYS 184 Cb 0.74 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.97 1bav h LYS 184 CO 0.06 0.69 -0.03 -0.91 -0.57 0.00 0.00 179.45 178.69 1bav h ASN 185 N 0.12 -0.21 -0.28 0.86 4.21 -1.12 -2.13 115.58 117.02 1bav h ASN 185 Ca 0.05 0.09 0.05 0.00 1.21 0.00 0.00 56.30 57.70 1bav h ASN 185 Cb 0.56 0.18 -0.05 0.00 -1.12 0.00 0.00 38.32 37.88 1bav h ASN 185 CO 0.03 -0.07 -0.05 -0.74 -1.29 0.00 0.00 177.43 175.31 1bav h HIS 186 N 0.07 -0.10 -0.62 1.19 2.76 -1.32 -3.46 115.15 113.67 1bav h HIS 186 Ca 0.18 0.02 -0.27 0.00 -2.20 0.00 0.00 60.37 58.11 1bav h HIS 186 Cb 0.26 0.09 -0.10 0.00 1.55 0.00 0.00 27.41 29.20 1bav h HIS 186 CO -0.28 -0.10 -0.24 0.41 -1.30 0.00 0.00 177.93 176.42 1bav n GLY 187 N -1.23 1.30 2.01 5.26 0.00 -0.80 -4.82 105.19 106.90 1bav n GLY 187 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1bav n GLY 187 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bav n ASN 188 N -0.81 0.59 -4.72 1.61 5.15 -1.26 -5.08 115.26 110.74 1bav n ASN 188 Ca -0.13 -2.03 -0.40 0.00 -0.60 0.00 0.00 54.58 51.42 1bav n ASN 188 Cb 0.53 -0.15 -0.05 0.00 -0.53 0.00 0.00 39.78 39.58 1bav n ASN 188 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1bav s PHE 189 N -1.24 3.60 -0.37 1.20 0.08 -1.26 -1.15 117.98 118.85 1bav s PHE 189 Ca 0.24 1.29 0.18 0.00 0.12 0.00 0.00 56.93 58.76 1bav s PHE 189 Cb 0.32 -2.81 -0.25 0.00 -0.57 0.00 0.00 43.02 39.71 1bav s PHE 189 CO -0.10 0.12 0.55 1.63 -0.10 0.00 0.00 175.22 177.32 1bav n LYS 190 N 3.62 0.80 -3.84 0.44 4.76 0.72 -4.73 118.16 119.93 1bav n LYS 190 Ca -0.01 -0.10 -0.12 0.00 -2.87 0.00 0.00 58.31 55.21 1bav n LYS 190 Cb 0.51 -1.39 -0.12 0.00 -1.84 0.00 0.00 35.03 32.18 1bav n LYS 190 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bav s ALA 191 N -3.02 -0.30 -0.22 7.82 0.00 -1.16 -3.15 121.76 121.73 1bav s ALA 191 Ca -0.01 0.27 -0.03 0.00 0.00 0.00 0.00 51.96 52.19 1bav s ALA 191 Cb 0.12 -0.16 0.07 0.00 0.00 0.00 0.00 23.12 23.15 1bav s ALA 191 CO 0.75 -0.08 0.07 0.12 0.00 0.00 0.00 175.76 176.62 1bav s PHE 192 N -0.14 0.80 -0.10 0.00 2.19 -0.00 -0.91 117.98 119.83 1bav s PHE 192 Ca -0.02 -0.84 0.01 0.00 0.33 0.00 0.00 56.93 56.41 1bav s PHE 192 Cb -0.02 -1.01 -0.02 0.00 -1.31 0.00 0.00 43.02 40.66 1bav s PHE 192 CO 0.00 -0.66 -0.13 -0.51 1.83 0.00 0.00 175.22 175.76 1bav s LEU 193 N 1.93 2.79 -0.05 6.12 1.02 0.46 -2.15 118.68 128.80 1bav s LEU 193 Ca 0.03 -0.24 0.06 0.00 0.02 0.00 0.00 54.13 53.99 1bav s LEU 193 Cb -0.17 -1.60 -0.01 0.00 0.02 0.00 0.00 46.19 44.42 1bav s LEU 193 CO -0.15 0.25 -0.23 -0.44 0.02 0.00 0.00 176.35 175.80 1bav s SER 194 N -0.14 3.25 -0.17 2.29 0.01 -0.46 -1.46 113.70 117.03 1bav s SER 194 Ca -0.01 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.82 1bav s SER 194 Cb -0.13 -0.79 0.02 0.00 0.21 0.00 0.00 66.02 65.32 1bav s SER 194 CO 0.03 0.27 -0.21 -0.63 0.41 0.00 0.00 173.24 173.12 1bav s ILE 195 N -0.30 2.05 0.08 1.44 -1.09 -0.23 -1.19 121.20 121.97 1bav s ILE 195 Ca 0.01 -0.95 0.01 0.00 -2.23 0.00 0.00 60.65 57.49 1bav s ILE 195 Cb -0.13 -1.84 -0.00 0.00 -1.58 0.00 0.00 42.46 38.91 1bav s ILE 195 CO 0.02 0.54 0.03 1.41 -1.23 0.00 0.00 174.94 175.71 1bav n HIS 196 N 4.43 0.03 -3.57 3.97 8.25 0.69 -3.61 115.22 125.42 1bav n HIS 196 Ca -0.21 -0.50 -0.14 0.00 -0.26 0.00 0.00 57.72 56.62 1bav n HIS 196 Cb 0.51 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.56 1bav n HIS 196 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1bav s SER 197 N -1.48 -0.45 0.00 0.41 1.04 -1.26 -0.43 113.70 111.53 1bav s SER 197 Ca 0.04 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1bav s SER 197 Cb 0.00 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1bav s SER 197 CO 0.03 -0.73 0.00 0.00 0.98 0.00 0.00 173.24 173.52 1bav n TYR 198 N 0.39 -0.01 0.00 5.02 4.11 -1.26 -4.83 117.16 120.58 1bav n TYR 198 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.72 1bav n TYR 198 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.94 1bav n TYR 198 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 1bav n SER 199 N -0.56 0.00 -3.68 9.48 3.41 0.44 -4.71 113.62 118.00 1bav n SER 199 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 1bav n SER 199 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1bav n SER 199 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bav n GLN 200 N -1.61 -1.65 -4.26 4.33 6.02 -0.85 -4.84 117.38 114.52 1bav n GLN 200 Ca 0.00 0.97 -0.17 0.00 -0.01 0.00 0.00 57.00 57.79 1bav n GLN 200 Cb 0.00 -2.39 -0.14 0.00 1.02 0.00 0.00 30.24 28.73 1bav n GLN 200 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1bav s LEU 201 N -4.25 2.04 -0.25 1.08 1.43 -0.77 -2.09 118.68 115.87 1bav s LEU 201 Ca 0.10 -0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 52.97 1bav s LEU 201 Cb -0.01 -0.37 -0.00 0.00 0.03 0.00 0.00 46.19 45.84 1bav s LEU 201 CO 0.89 0.06 -0.00 -0.22 0.23 0.00 0.00 176.35 177.30 1bav s LEU 202 N -0.35 3.23 0.13 1.79 0.20 -0.07 -1.19 118.68 122.40 1bav s LEU 202 Ca 0.02 -0.50 0.09 0.00 0.69 0.00 0.00 54.13 54.42 1bav s LEU 202 Cb -0.04 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.90 1bav s LEU 202 CO -0.00 -0.08 -0.19 -0.76 -0.29 0.00 0.00 176.35 175.03 1bav s LEU 203 N 1.48 2.66 0.10 -0.68 1.02 -0.37 -2.03 118.68 120.86 1bav s LEU 203 Ca 0.04 -0.60 0.01 0.00 0.02 0.00 0.00 54.13 53.61 1bav s LEU 203 Cb -0.15 -1.49 -0.04 0.00 0.02 0.00 0.00 46.19 44.52 1bav s LEU 203 CO -0.01 0.17 -0.05 -0.72 0.02 0.00 0.00 176.35 175.76 1bav s TYR 204 N -1.19 0.87 0.82 0.29 -0.85 -0.99 -1.73 117.35 114.58 1bav s TYR 204 Ca 0.18 -0.95 -0.13 0.00 -0.52 0.00 0.00 57.07 55.65 1bav s TYR 204 Cb -0.10 -0.51 0.08 0.00 0.38 0.00 0.00 41.96 41.80 1bav s TYR 204 CO 0.10 -0.19 1.11 -2.30 -1.52 0.00 0.00 175.55 172.75 1bav n PRO 205 N -0.04 0.09 -3.78 -3.49 -0.02 -1.26 -1.70 135.00 124.80 1bav n PRO 205 Ca -0.12 0.11 -0.24 0.00 -2.02 0.00 0.00 63.50 61.23 1bav n PRO 205 Cb 0.61 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 1bav n PRO 205 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1bav s TYR 206 N -2.18 2.10 -0.04 6.00 2.02 -1.26 -4.65 117.35 119.34 1bav s TYR 206 Ca 0.71 -0.69 0.04 0.00 -0.37 0.00 0.00 57.07 56.76 1bav s TYR 206 Cb -0.28 -2.02 -0.06 0.00 -0.40 0.00 0.00 41.96 39.20 1bav s TYR 206 CO 0.53 -0.30 0.02 0.41 -1.57 0.00 0.00 175.55 174.64 1bav n GLY 207 N -1.64 -0.22 0.57 0.71 0.00 -1.26 -1.51 105.19 101.84 1bav n GLY 207 Ca 0.01 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1bav n GLY 207 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1bav n TYR 208 N -2.13 0.06 -3.59 1.61 4.11 -0.96 -1.43 117.16 114.82 1bav n TYR 208 Ca -0.07 -0.03 -0.16 0.00 -0.00 0.00 0.00 57.90 57.64 1bav n TYR 208 Cb 0.61 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.89 1bav n TYR 208 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 1bav s THR 209 N -1.94 0.02 -0.24 -3.48 -1.32 -1.26 -4.96 115.64 102.46 1bav s THR 209 Ca 0.36 -0.17 0.22 0.00 -1.21 0.00 0.00 61.69 60.88 1bav s THR 209 Cb 0.20 -0.89 0.26 0.00 -1.51 0.00 0.00 72.50 70.56 1bav s THR 209 CO 0.32 -0.10 1.63 0.71 -2.21 0.00 0.00 174.62 174.97 1bav h THR 210 N 3.17 0.29 -2.25 5.08 1.35 -1.91 -3.42 112.91 115.22 1bav h THR 210 Ca -0.29 -1.28 -0.62 0.00 -0.55 0.00 0.00 66.41 63.68 1bav h THR 210 Cb 1.17 2.03 0.09 0.00 -1.73 0.00 0.00 68.15 69.70 1bav h THR 210 CO 0.40 0.15 0.29 1.67 -0.25 0.00 0.00 175.52 177.78 1bav n GLN 211 N -3.16 1.39 -3.09 4.72 7.27 -1.26 -4.93 117.38 118.31 1bav n GLN 211 Ca 0.03 0.49 -0.39 0.00 0.07 0.00 0.00 57.00 57.19 1bav n GLN 211 Cb 0.55 -1.98 -0.05 0.00 2.41 0.00 0.00 30.24 31.17 1bav n GLN 211 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 1bav s SER 212 N -0.12 6.95 0.64 1.69 0.01 -1.26 -4.59 113.70 117.02 1bav s SER 212 Ca 0.68 1.15 -0.17 0.00 1.31 0.00 0.00 55.95 58.91 1bav s SER 212 Cb -0.77 -2.39 -0.01 0.00 0.21 0.00 0.00 66.02 63.06 1bav s SER 212 CO 0.54 -0.07 1.19 0.27 0.41 0.00 0.00 173.24 175.58 1bav s ILE 213 N 0.65 2.64 0.29 1.44 -4.36 -1.26 -4.92 121.20 115.67 1bav s ILE 213 Ca 0.35 0.36 -0.02 0.00 -0.26 0.00 0.00 60.65 61.08 1bav s ILE 213 Cb -0.18 -3.02 0.19 0.00 1.25 0.00 0.00 42.46 40.71 1bav s ILE 213 CO 0.17 -0.13 1.88 -0.65 0.24 0.00 0.00 174.94 176.45 1bav h PRO 214 N 0.42 0.94 -0.95 0.37 0.11 -1.99 -2.65 132.00 128.25 1bav h PRO 214 Ca -0.49 -0.14 -0.01 0.00 0.11 0.00 0.00 66.00 65.48 1bav h PRO 214 Cb 1.29 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1bav h PRO 214 CO 0.53 0.74 0.01 -0.25 -0.21 0.00 0.00 178.00 178.82 1bav n ASP 215 N -4.33 1.76 -0.01 -2.05 8.00 -1.26 -4.47 116.55 114.20 1bav n ASP 215 Ca 0.06 -2.14 -0.10 0.00 0.71 0.00 0.00 54.79 53.32 1bav n ASP 215 Cb 0.15 -0.53 -0.05 0.00 -0.02 0.00 0.00 41.12 40.68 1bav n ASP 215 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1bav h LYS 216 N 0.53 0.01 -0.89 -1.24 3.11 -1.84 -0.70 116.57 115.55 1bav h LYS 216 Ca 0.01 -0.00 0.08 0.00 -2.81 0.00 0.00 60.65 57.92 1bav h LYS 216 Cb 0.75 -0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.91 1bav h LYS 216 CO 0.07 0.01 0.58 1.15 -2.81 0.00 0.00 179.45 178.45 1bav h THR 217 N 0.01 1.03 0.06 1.00 2.02 -1.87 0.24 112.91 115.40 1bav h THR 217 Ca 0.05 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 1bav h THR 217 Cb 0.08 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 1bav h THR 217 CO -0.11 0.18 -0.03 -0.08 0.37 0.00 0.00 175.52 175.85 1bav h GLU 218 N 0.96 -0.08 -0.28 6.66 4.81 -1.85 -1.96 114.58 122.85 1bav h GLU 218 Ca 0.39 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1bav h GLU 218 Cb 0.28 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1bav h GLU 218 CO -0.16 0.52 0.16 -0.07 -0.73 0.00 0.00 179.01 178.74 1bav h LEU 219 N -0.83 0.32 -0.59 1.64 4.07 -0.94 0.32 115.31 119.31 1bav h LEU 219 Ca -0.01 -0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.82 1bav h LEU 219 Cb 0.64 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.28 1bav h LEU 219 CO 0.01 0.26 -0.11 -1.13 -1.08 0.00 0.00 178.44 176.39 1bav h ASN 220 N 0.38 1.01 0.00 -0.43 -0.73 -0.54 0.53 115.58 115.80 1bav h ASN 220 Ca 0.10 -0.33 -0.19 0.00 1.87 0.00 0.00 56.30 57.75 1bav h ASN 220 Cb -0.00 -0.27 -0.00 0.00 0.27 0.00 0.00 38.32 38.31 1bav h ASN 220 CO -0.02 1.12 -0.66 -0.61 -0.37 0.00 0.00 177.43 176.89 1bav h GLN 221 N 0.89 0.62 -0.63 6.67 5.75 -0.38 -0.42 115.11 127.61 1bav h GLN 221 Ca 0.14 -0.45 -0.03 0.00 -0.15 0.00 0.00 58.65 58.15 1bav h GLN 221 Cb 0.68 0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.27 1bav h GLN 221 CO 0.05 1.07 0.26 0.28 -2.65 0.00 0.00 178.83 177.84 1bav h VAL 222 N 0.45 1.23 -0.14 2.39 2.07 -0.16 -2.01 116.25 120.07 1bav h VAL 222 Ca -0.02 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1bav h VAL 222 Cb 1.24 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1bav h VAL 222 CO 0.13 0.28 0.02 0.00 0.02 0.00 0.00 177.57 178.02 1bav h ALA 223 N 1.11 0.19 -0.50 1.67 0.00 -0.73 -1.64 119.26 119.37 1bav h ALA 223 Ca 0.21 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1bav h ALA 223 Cb 0.19 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 1bav h ALA 223 CO -0.02 -0.15 -0.04 -0.22 0.00 0.00 0.00 179.25 178.82 1bav h LYS 224 N 0.01 0.07 -0.24 0.00 3.64 -0.86 -0.30 116.57 118.90 1bav h LYS 224 Ca 0.04 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 1bav h LYS 224 Cb 0.31 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1bav h LYS 224 CO 0.00 0.05 -0.38 0.77 -2.27 0.00 0.00 179.45 177.62 1bav h SER 225 N 0.07 0.58 -0.61 4.20 0.02 -1.30 -2.33 113.55 114.19 1bav h SER 225 Ca 0.25 -0.25 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1bav h SER 225 Cb 0.38 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 1bav h SER 225 CO -0.45 0.91 0.17 0.00 -1.14 0.00 0.00 176.83 176.32 1bav h ALA 226 N 1.12 1.09 -0.35 3.77 0.00 -0.33 -0.94 119.26 123.63 1bav h ALA 226 Ca 0.04 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 1bav h ALA 226 Cb 0.88 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1bav h ALA 226 CO 0.07 0.61 -0.35 0.28 0.00 0.00 0.00 179.25 179.87 1bav h VAL 227 N 0.95 1.28 -0.44 0.00 2.07 -0.99 -1.80 116.25 117.32 1bav h VAL 227 Ca 0.21 -1.51 -0.08 0.00 0.82 0.00 0.00 66.70 66.14 1bav h VAL 227 Cb 0.31 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1bav h VAL 227 CO -0.00 0.50 -0.02 0.00 0.02 0.00 0.00 177.57 178.06 1bav h ALA 228 N 0.94 0.59 0.87 1.67 0.00 -1.12 -2.22 119.26 120.01 1bav h ALA 228 Ca 0.06 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1bav h ALA 228 Cb 0.90 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1bav h ALA 228 CO 0.08 0.40 -0.48 0.00 0.00 0.00 0.00 179.25 179.25 1bav h ALA 229 N 0.90 -1.31 -0.72 0.00 0.00 -1.06 -2.89 119.26 114.18 1bav h ALA 229 Ca 0.12 -0.27 0.16 0.00 0.00 0.00 0.00 54.91 54.93 1bav h ALA 229 Cb 0.52 0.56 -0.12 0.00 0.00 0.00 0.00 17.79 18.75 1bav h ALA 229 CO 0.03 -1.24 0.03 1.25 0.00 0.00 0.00 179.25 179.31 1bav h LEU 230 N -1.25 -0.29 -2.60 0.00 6.46 -1.34 -0.35 115.31 115.94 1bav h LEU 230 Ca -0.12 0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1bav h LEU 230 Cb 0.98 0.31 -0.00 0.00 -0.73 0.00 0.00 40.66 41.22 1bav h LEU 230 CO 0.16 -0.15 -0.01 0.50 -0.62 0.00 0.00 178.44 178.32 1bav h LYS 231 N 0.12 0.00 0.00 1.25 3.64 -1.26 -3.23 116.57 117.09 1bav h LYS 231 Ca 0.39 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 1bav h LYS 231 Cb 0.68 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1bav h LYS 231 CO -0.62 0.01 -0.05 0.66 -2.27 0.00 0.00 179.45 177.19 1bav h SER 232 N 0.00 0.00 0.11 4.20 4.64 -0.85 0.19 113.55 121.84 1bav h SER 232 Ca -0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1bav h SER 232 Cb 0.06 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1bav h SER 232 CO 0.00 0.05 -0.80 -0.07 -0.87 0.00 0.00 176.83 175.14 1bav h LEU 233 N 0.00 0.36 -0.19 5.97 3.38 -1.74 -3.42 115.31 119.67 1bav h LEU 233 Ca -0.00 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.04 1bav h LEU 233 Cb 0.14 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1bav h LEU 233 CO 0.01 1.37 0.00 -1.22 0.09 0.00 0.00 178.44 178.69 1bav n TYR 234 N -4.18 0.00 -0.65 1.13 4.01 -1.23 -5.03 117.16 111.22 1bav n TYR 234 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1bav n TYR 234 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.81 1bav n TYR 234 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bav n GLY 235 N 0.29 0.62 3.66 2.72 0.00 0.65 -5.02 105.19 108.11 1bav n GLY 235 Ca 0.00 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1bav n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bav s THR 236 N -2.00 3.75 -0.18 2.61 2.01 -1.25 -4.98 115.64 115.59 1bav s THR 236 Ca 0.00 0.90 -0.16 0.00 0.31 0.00 0.00 61.69 62.74 1bav s THR 236 Cb 0.00 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 1bav s THR 236 CO 0.00 -0.10 0.38 -0.44 -0.69 0.00 0.00 174.62 173.76 1bav s SER 237 N 3.16 6.46 0.14 3.53 0.01 -1.26 -4.08 113.70 121.66 1bav s SER 237 Ca 0.69 0.54 0.08 0.00 1.31 0.00 0.00 55.95 58.58 1bav s SER 237 Cb -0.30 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 1bav s SER 237 CO 0.26 -0.02 -0.10 -0.31 0.41 0.00 0.00 173.24 173.48 1bav s TYR 238 N 1.02 2.67 0.08 2.43 1.51 -1.26 -4.87 117.35 118.93 1bav s TYR 238 Ca 0.19 -0.20 0.05 0.00 -1.01 0.00 0.00 57.07 56.10 1bav s TYR 238 Cb -0.14 -1.36 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 1bav s TYR 238 CO 0.07 0.46 -0.02 0.15 -1.11 0.00 0.00 175.55 175.10 1bav s LYS 239 N -2.50 2.48 0.09 -0.62 -0.14 -0.89 -4.97 119.74 113.19 1bav s LYS 239 Ca 0.23 -0.86 0.03 0.00 -1.36 0.00 0.00 55.97 54.01 1bav s LYS 239 Cb -0.10 -2.50 -0.04 0.00 -1.68 0.00 0.00 37.83 33.52 1bav s LYS 239 CO 0.14 0.54 -0.08 1.52 -0.76 0.00 0.00 175.35 176.71 1bav s TYR 240 N -1.26 0.92 -5.00 3.18 1.13 -1.26 -0.90 117.35 114.16 1bav s TYR 240 Ca 0.24 -0.74 0.00 0.00 -1.41 0.00 0.00 57.07 55.16 1bav s TYR 240 Cb -0.12 -0.52 0.00 0.00 -1.10 0.00 0.00 41.96 40.23 1bav s TYR 240 CO 0.16 -0.08 0.00 0.41 -2.51 0.00 0.00 175.55 173.54 1bav n GLY 241 N 0.46 -1.56 3.76 5.49 0.00 -0.86 -4.97 105.19 107.52 1bav n GLY 241 Ca -0.16 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 1bav n GLY 241 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bav s SER 242 N -2.38 4.81 0.11 1.61 1.04 -1.26 -2.34 113.70 115.29 1bav s SER 242 Ca 0.00 2.02 -0.30 0.00 0.48 0.00 0.00 55.95 58.15 1bav s SER 242 Cb 0.00 -2.55 -0.10 0.00 0.10 0.00 0.00 66.02 63.47 1bav s SER 242 CO 0.00 -1.83 1.61 0.40 0.98 0.00 0.00 173.24 174.39 1bav h ILE 243 N -0.29 0.25 -0.93 -1.02 2.04 -1.30 -1.38 117.51 114.88 1bav h ILE 243 Ca -0.46 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 1bav h ILE 243 Cb 1.25 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 1bav h ILE 243 CO 0.53 0.00 0.56 -0.29 0.00 0.00 0.00 178.15 178.95 1bav h ILE 244 N -0.64 1.25 0.00 -0.67 2.10 -1.32 0.56 117.51 118.79 1bav h ILE 244 Ca 0.01 -0.55 -0.08 0.00 1.08 0.00 0.00 64.86 65.32 1bav h ILE 244 Cb 0.64 -0.06 -0.01 0.00 -1.09 0.00 0.00 36.82 36.30 1bav h ILE 244 CO -0.16 0.27 -0.40 0.74 -1.08 0.00 0.00 178.15 177.51 1bav h THR 245 N 1.28 0.91 0.00 2.19 2.02 -1.77 -3.35 112.91 114.19 1bav h THR 245 Ca 0.33 -1.63 0.00 0.00 0.77 0.00 0.00 66.41 65.88 1bav h THR 245 Cb -0.06 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1bav h THR 245 CO -0.06 0.39 0.00 0.35 0.37 0.00 0.00 175.52 176.57 1bav n THR 246 N -3.50 0.00 0.00 3.16 -2.24 -0.54 -4.90 114.28 106.25 1bav n THR 246 Ca -0.00 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1bav n THR 246 Cb 0.54 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 1bav n THR 246 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1bav n ILE 247 N -0.02 0.00 0.00 2.28 5.41 0.15 -5.05 119.36 122.13 1bav n ILE 247 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1bav n ILE 247 Cb 0.02 -0.55 0.00 0.00 -0.71 0.00 0.00 39.64 38.40 1bav n ILE 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bav n TYR 248 N -2.14 0.00 -2.44 1.39 0.18 -1.12 -5.02 117.16 108.02 1bav n TYR 248 Ca 0.00 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.35 1bav n TYR 248 Cb 0.00 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 38.94 1bav n TYR 248 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1bav s GLN 249 N -2.00 4.26 -0.05 -3.48 0.74 -1.26 -3.56 119.66 114.31 1bav s GLN 249 Ca 0.00 1.65 -0.01 0.00 0.05 0.00 0.00 55.36 57.06 1bav s GLN 249 Cb 0.00 -3.72 0.03 0.00 1.10 0.00 0.00 33.01 30.42 1bav s GLN 249 CO 0.00 -0.65 0.02 0.00 -0.55 0.00 0.00 175.29 174.11 1bav s ALA 250 N 3.21 0.45 0.19 1.58 0.00 -0.51 -4.28 121.76 122.41 1bav s ALA 250 Ca 0.55 0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.60 1bav s ALA 250 Cb -0.22 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 1bav s ALA 250 CO 0.16 -0.33 0.26 -1.54 0.00 0.00 0.00 175.76 174.31 1bav s SER 251 N 1.70 6.03 -0.65 0.00 1.04 -1.23 -2.27 113.70 118.33 1bav s SER 251 Ca -0.00 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1bav s SER 251 Cb -0.13 -1.72 0.00 0.00 0.10 0.00 0.00 66.02 64.28 1bav s SER 251 CO -0.03 0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1bav n GLY 252 N -0.84 0.22 3.89 7.32 0.00 -0.36 -4.48 105.19 110.94 1bav n GLY 252 Ca -0.08 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 1bav n GLY 252 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bav s GLY 253 N -2.72 1.81 0.15 -0.02 0.00 -1.23 -0.74 107.32 104.57 1bav s GLY 253 Ca 0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 44.72 44.27 1bav s GLY 253 CO 0.00 -0.15 1.57 1.48 0.00 0.00 0.00 173.10 176.00 1bav h SER 254 N 1.01 0.90 0.48 1.64 4.64 -1.90 -2.99 113.55 117.34 1bav h SER 254 Ca -0.47 -0.35 -0.06 0.00 -0.47 0.00 0.00 61.79 60.44 1bav h SER 254 Cb 1.19 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1bav h SER 254 CO 0.63 1.03 -0.30 0.40 -0.87 0.00 0.00 176.83 177.72 1bav h ILE 255 N 0.75 0.99 -0.04 0.95 5.03 -1.92 0.14 117.51 123.41 1bav h ILE 255 Ca 0.13 -1.14 -0.22 0.00 -0.12 0.00 0.00 64.86 63.51 1bav h ILE 255 Cb 0.62 1.65 0.02 0.00 -3.03 0.00 0.00 36.82 36.08 1bav h ILE 255 CO 0.04 0.30 -0.84 0.44 -0.68 0.00 0.00 178.15 177.41 1bav h ASP 256 N 0.00 0.81 -0.11 1.72 3.32 -1.95 -1.18 116.42 119.03 1bav h ASP 256 Ca -0.00 -0.71 -0.01 0.00 0.02 0.00 0.00 57.03 56.33 1bav h ASP 256 Cb 0.63 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 1bav h ASP 256 CO 0.04 1.41 0.04 -0.25 -1.72 0.00 0.00 179.24 178.76 1bav h TRP 257 N 0.29 0.17 -0.19 4.55 7.01 -1.37 -0.86 115.95 125.55 1bav h TRP 257 Ca -0.09 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 60.90 1bav h TRP 257 Cb 1.50 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 28.49 1bav h TRP 257 CO 0.11 0.28 0.11 0.66 -2.79 0.00 0.00 178.44 176.81 1bav h SER 258 N 0.02 0.18 -0.44 2.65 4.64 -0.99 -0.19 113.55 119.42 1bav h SER 258 Ca 0.04 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1bav h SER 258 Cb 0.18 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1bav h SER 258 CO -0.00 0.14 0.29 0.22 -0.87 0.00 0.00 176.83 176.61 1bav h TYR 259 N 0.24 0.52 0.00 4.77 3.20 -1.16 0.14 116.97 124.68 1bav h TYR 259 Ca 0.08 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1bav h TYR 259 Cb -0.01 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.09 1bav h TYR 259 CO -0.08 0.32 0.00 0.09 -1.64 0.00 0.00 178.16 176.85 1bav n ASN 260 N -4.47 0.00 0.11 -2.11 3.02 -0.33 -1.30 115.26 110.18 1bav n ASN 260 Ca 0.04 0.46 0.12 0.00 -0.03 0.00 0.00 54.58 55.17 1bav n ASN 260 Cb 0.09 -0.49 0.24 0.00 -0.61 0.00 0.00 39.78 39.01 1bav n ASN 260 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1bav h GLN 261 N 0.00 0.00 0.00 3.52 1.08 0.94 -3.47 115.11 117.18 1bav h GLN 261 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1bav h GLN 261 Cb 0.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1bav h GLN 261 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 1bav n GLY 262 N 1.26 0.97 3.53 3.46 0.00 -0.42 -5.04 105.19 108.94 1bav n GLY 262 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1bav n GLY 262 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bav s ILE 263 N -2.00 3.94 0.11 -0.61 1.01 -0.82 -4.91 121.20 117.91 1bav s ILE 263 Ca 0.00 -0.06 -0.32 0.00 0.00 0.00 0.00 60.65 60.26 1bav s ILE 263 Cb 0.00 -4.89 -0.12 0.00 0.01 0.00 0.00 42.46 37.47 1bav s ILE 263 CO 0.00 -1.77 1.58 0.50 0.00 0.00 0.00 174.94 175.25 1bav h LYS 264 N 9.83 -0.68 -5.75 2.79 3.64 -1.86 -3.32 116.57 121.21 1bav h LYS 264 Ca -0.17 0.05 -0.67 0.00 -1.27 0.00 0.00 60.65 58.58 1bav h LYS 264 Cb 1.05 0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 32.92 1bav h LYS 264 CO 1.28 -0.45 1.91 0.71 -2.27 0.00 0.00 179.45 180.62 1bav s TYR 265 N -5.87 2.82 -0.25 1.91 2.02 -1.19 -4.91 117.35 111.88 1bav s TYR 265 Ca -0.16 -1.51 -0.04 0.00 -0.37 0.00 0.00 57.07 54.98 1bav s TYR 265 Cb 0.07 -4.68 0.01 0.00 -0.40 0.00 0.00 41.96 36.96 1bav s TYR 265 CO 0.62 -1.78 -0.00 -1.12 -1.57 0.00 0.00 175.55 171.70 1bav s SER 266 N 4.20 4.61 0.05 2.29 0.01 -1.25 -0.82 113.70 122.78 1bav s SER 266 Ca 0.50 -0.64 -0.07 0.00 1.31 0.00 0.00 55.95 57.05 1bav s SER 266 Cb 0.02 -1.77 -0.01 0.00 0.21 0.00 0.00 66.02 64.48 1bav s SER 266 CO 0.03 -0.11 0.14 -0.36 0.41 0.00 0.00 173.24 173.34 1bav s PHE 267 N 1.44 0.16 -0.04 2.43 0.08 -0.91 -4.24 117.98 116.90 1bav s PHE 267 Ca 0.03 -0.48 0.03 0.00 0.12 0.00 0.00 56.93 56.63 1bav s PHE 267 Cb -0.16 -0.11 0.01 0.00 -0.57 0.00 0.00 43.02 42.19 1bav s PHE 267 CO -0.02 -0.42 -0.11 0.99 -0.10 0.00 0.00 175.22 175.57 1bav s THR 268 N -2.90 0.96 -0.14 0.64 2.01 -0.71 -1.35 115.64 114.15 1bav s THR 268 Ca -0.02 -0.42 -0.07 0.00 0.31 0.00 0.00 61.69 61.49 1bav s THR 268 Cb 0.01 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 1bav s THR 268 CO -0.06 0.30 0.09 -0.36 -0.69 0.00 0.00 174.62 173.91 1bav s PHE 269 N 0.40 3.40 -0.32 4.92 0.40 -0.33 -1.24 117.98 125.21 1bav s PHE 269 Ca -0.08 0.32 -0.03 0.00 -0.60 0.00 0.00 56.93 56.55 1bav s PHE 269 Cb -0.12 -1.98 0.05 0.00 0.51 0.00 0.00 43.02 41.49 1bav s PHE 269 CO 0.02 0.48 0.05 -1.21 0.70 0.00 0.00 175.22 175.25 1bav s GLU 270 N -0.45 2.43 0.00 0.44 0.41 -0.33 -0.23 118.70 120.97 1bav s GLU 270 Ca 0.11 -1.31 0.00 0.00 -0.41 0.00 0.00 54.97 53.36 1bav s GLU 270 Cb -0.12 -3.30 0.00 0.00 -1.78 0.00 0.00 34.13 28.93 1bav s GLU 270 CO 0.02 -0.68 0.00 1.28 -0.49 0.00 0.00 175.26 175.38 1bav n LEU 271 N 4.67 0.00 -4.76 1.80 4.32 0.43 -1.85 117.00 121.60 1bav n LEU 271 Ca -0.12 0.00 -0.35 0.00 -0.02 0.00 0.00 56.01 55.52 1bav n LEU 271 Cb 0.43 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.26 1bav n LEU 271 CO 0.28 -0.61 0.80 -0.13 -1.22 0.00 0.00 177.39 176.52 1bav s ARG 272 N -1.33 3.01 0.00 3.23 0.52 -1.26 -2.01 118.95 121.10 1bav s ARG 272 Ca 0.00 1.69 0.00 0.00 -0.52 0.00 0.00 55.73 56.90 1bav s ARG 272 Cb 0.00 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.52 1bav s ARG 272 CO 0.00 -1.14 0.00 -0.40 0.02 0.00 0.00 175.30 173.78 1bav n ASP 273 N -1.70 0.00 -0.85 0.23 5.68 -1.26 -4.67 116.55 113.98 1bav n ASP 273 Ca 0.12 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.47 1bav n ASP 273 Cb 0.50 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.71 1bav n ASP 273 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1bav n THR 274 N 0.00 2.30 0.00 2.12 -2.24 -1.26 0.17 114.28 115.37 1bav n THR 274 Ca 0.00 -2.17 0.00 0.00 -2.27 0.00 0.00 64.05 59.61 1bav n THR 274 Cb 0.00 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1bav n THR 274 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bav n GLY 275 N -0.81 1.38 0.14 3.38 0.00 -1.26 -4.87 105.19 103.15 1bav n GLY 275 Ca 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 1bav n GLY 275 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1bav h ARG 276 N 0.00 0.38 0.00 1.61 2.43 -2.02 -3.36 114.38 113.42 1bav h ARG 276 Ca 0.00 -0.08 -0.23 0.00 -0.81 0.00 0.00 59.98 58.86 1bav h ARG 276 Cb 0.00 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 1bav h ARG 276 CO 0.00 0.44 -1.87 0.66 -1.51 0.00 0.00 179.97 177.69 1bav n TYR 277 N -4.77 0.00 0.00 2.20 4.01 -1.26 -5.06 117.16 112.29 1bav n TYR 277 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1bav n TYR 277 Cb 0.14 -0.60 0.00 0.00 -0.31 0.00 0.00 39.34 38.57 1bav n TYR 277 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bav n GLY 278 N 2.52 1.67 0.14 2.72 0.00 -1.26 -2.38 105.19 108.60 1bav n GLY 278 Ca -0.24 0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.93 1bav n GLY 278 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1bav h PHE 279 N 0.00 0.00 -1.41 1.61 0.04 -1.93 -3.37 116.94 111.88 1bav h PHE 279 Ca 0.00 0.00 -0.63 0.00 2.80 0.00 0.00 57.97 60.14 1bav h PHE 279 Cb 0.00 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 37.95 1bav h PHE 279 CO 0.00 0.45 0.94 1.28 -0.60 0.00 0.00 178.31 180.38 1bav n LEU 280 N -3.14 7.07 -4.78 1.54 4.32 -1.00 -4.48 117.00 116.54 1bav n LEU 280 Ca 0.00 -4.51 -0.41 0.00 -0.02 0.00 0.00 56.01 51.08 1bav n LEU 280 Cb 0.73 -1.21 -0.00 0.00 -1.62 0.00 0.00 43.42 41.31 1bav n LEU 280 CO 0.40 1.82 1.15 -0.76 -1.22 0.00 0.00 177.39 178.78 1bav s LEU 281 N -2.82 4.33 0.54 2.23 1.43 -1.26 -4.88 118.68 118.25 1bav s LEU 281 Ca 0.55 3.03 -0.22 0.00 -1.03 0.00 0.00 54.13 56.46 1bav s LEU 281 Cb 0.35 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.86 1bav s LEU 281 CO -0.24 -0.87 1.36 -2.84 0.23 0.00 0.00 176.35 173.99 1bav s PRO 282 N -1.88 3.15 0.55 1.29 0.02 -1.26 -4.88 135.00 132.00 1bav s PRO 282 Ca 0.54 2.23 0.23 0.00 0.02 0.00 0.00 61.00 64.02 1bav s PRO 282 Cb -0.46 -2.26 1.50 0.00 0.02 0.00 0.00 34.50 33.30 1bav s PRO 282 CO 0.61 -1.18 2.16 0.00 -0.33 0.00 0.00 177.00 178.26 1bav h ALA 283 N 1.47 1.87 0.00 -1.55 0.00 -1.92 0.68 119.26 119.81 1bav h ALA 283 Ca -0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1bav h ALA 283 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1bav h ALA 283 CO 0.57 -0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.60 1bav n SER 284 N -4.22 0.62 -0.37 0.00 3.41 -1.26 -1.99 113.62 109.80 1bav n SER 284 Ca -0.01 0.69 0.13 0.00 -0.26 0.00 0.00 58.87 59.42 1bav n SER 284 Cb 0.16 -0.81 0.35 0.00 -0.26 0.00 0.00 64.21 63.66 1bav n SER 284 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bav n GLN 285 N -2.22 1.16 0.20 4.33 6.02 0.23 -4.59 117.38 122.51 1bav n GLN 285 Ca 0.01 -0.75 -0.08 0.00 -0.01 0.00 0.00 57.00 56.18 1bav n GLN 285 Cb 0.17 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 29.90 1bav n GLN 285 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1bav h ILE 286 N 1.82 0.00 -0.98 5.09 2.04 -1.51 -1.87 117.51 122.10 1bav h ILE 286 Ca 0.00 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.82 1bav h ILE 286 Cb 0.56 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 1bav h ILE 286 CO 0.00 0.00 0.63 0.40 0.00 0.00 0.00 178.15 179.18 1bav h ILE 287 N -0.60 1.09 -0.58 -0.67 2.04 -1.80 0.40 117.51 117.39 1bav h ILE 287 Ca -0.05 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1bav h ILE 287 Cb 0.39 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.27 1bav h ILE 287 CO 0.09 0.21 0.32 -0.65 0.00 0.00 0.00 178.15 178.11 1bav h PRO 288 N 1.16 0.81 -0.22 2.37 0.11 -1.81 0.28 132.00 134.70 1bav h PRO 288 Ca 0.42 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 66.41 1bav h PRO 288 Cb 0.15 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1bav h PRO 288 CO -0.17 0.63 0.07 1.15 -0.21 0.00 0.00 178.00 179.47 1bav h THR 289 N 0.79 1.19 -0.38 -1.15 2.02 -0.82 -2.59 112.91 111.98 1bav h THR 289 Ca 0.20 -0.61 0.03 0.00 0.77 0.00 0.00 66.41 66.80 1bav h THR 289 Cb 0.05 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1bav h THR 289 CO -0.03 0.20 0.19 0.00 0.37 0.00 0.00 175.52 176.24 1bav h ALA 290 N 0.89 0.47 -0.49 6.16 0.00 -0.55 -2.42 119.26 123.31 1bav h ALA 290 Ca 0.07 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1bav h ALA 290 Cb 0.24 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1bav h ALA 290 CO -0.00 -0.17 0.18 1.96 0.00 0.00 0.00 179.25 181.22 1bav h GLN 291 N 0.39 0.35 -0.28 0.00 4.20 -0.36 -2.49 115.11 116.93 1bav h GLN 291 Ca 0.16 -0.02 -0.19 0.00 0.06 0.00 0.00 58.65 58.66 1bav h GLN 291 Cb 0.06 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1bav h GLN 291 CO -0.11 0.23 -0.56 1.05 -0.67 0.00 0.00 178.83 178.78 1bav h GLU 292 N 0.36 0.85 0.00 1.46 4.11 -1.18 -3.14 114.58 117.05 1bav h GLU 292 Ca 0.23 -0.55 -0.04 0.00 0.07 0.00 0.00 59.36 59.07 1bav h GLU 292 Cb 0.23 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1bav h GLU 292 CO -0.23 1.18 -0.20 0.00 0.07 0.00 0.00 179.01 179.83 1bav h THR 293 N 0.65 0.61 -0.70 -1.06 1.03 -1.37 -1.91 112.91 110.16 1bav h THR 293 Ca 0.01 -0.91 0.05 0.00 -0.01 0.00 0.00 66.41 65.55 1bav h THR 293 Cb 1.16 1.59 -0.05 0.00 -1.07 0.00 0.00 68.15 69.79 1bav h THR 293 CO 0.12 0.19 0.41 -0.25 -0.01 0.00 0.00 175.52 175.99 1bav h TRP 294 N 0.00 0.75 -0.56 0.00 2.91 -1.39 0.35 115.95 118.01 1bav h TRP 294 Ca -0.00 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.00 1bav h TRP 294 Cb 0.58 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 28.97 1bav h TRP 294 CO 0.00 0.38 0.19 -0.07 -1.03 0.00 0.00 178.44 177.91 1bav h LEU 295 N 0.76 0.80 -0.57 0.65 4.07 -1.38 0.43 115.31 120.07 1bav h LEU 295 Ca 0.30 -0.20 -0.16 0.00 0.08 0.00 0.00 57.88 57.91 1bav h LEU 295 Cb 0.15 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 1bav h LEU 295 CO -0.16 0.78 -0.59 1.23 -1.08 0.00 0.00 178.44 178.63 1bav h GLY 296 N 0.78 0.44 1.22 0.83 0.00 -1.27 -2.45 103.07 102.61 1bav h GLY 296 Ca 0.18 -0.53 -0.23 0.00 0.00 0.00 0.00 47.33 46.75 1bav h GLY 296 CO -0.01 0.48 -0.80 -2.08 0.00 0.00 0.00 176.54 174.13 1bav h VAL 297 N 0.30 1.28 -0.38 4.60 2.07 -0.14 -2.99 116.25 121.00 1bav h VAL 297 Ca -0.00 -2.01 -0.05 0.00 0.82 0.00 0.00 66.70 65.46 1bav h VAL 297 Cb 1.11 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 1bav h VAL 297 CO 0.10 0.63 0.01 0.25 0.02 0.00 0.00 177.57 178.59 1bav h LEU 298 N 0.51 0.55 0.10 2.57 7.12 -0.91 -0.82 115.31 124.43 1bav h LEU 298 Ca -0.06 -0.11 -0.01 0.00 0.13 0.00 0.00 57.88 57.84 1bav h LEU 298 Cb 1.43 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 41.42 1bav h LEU 298 CO 0.16 0.61 -0.05 0.74 -0.13 0.00 0.00 178.44 179.77 1bav h THR 299 N 0.56 0.91 -0.92 1.05 2.02 -1.42 0.16 112.91 115.27 1bav h THR 299 Ca 0.12 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.27 1bav h THR 299 Cb 0.34 0.93 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 1bav h THR 299 CO 0.01 0.01 0.59 0.40 0.37 0.00 0.00 175.52 176.90 1bav h ILE 300 N -0.15 1.24 -0.41 3.11 2.04 -1.29 -0.75 117.51 121.30 1bav h ILE 300 Ca -0.01 -0.46 -0.10 0.00 1.00 0.00 0.00 64.86 65.29 1bav h ILE 300 Cb 0.12 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.09 1bav h ILE 300 CO 0.02 0.24 -0.13 0.24 0.00 0.00 0.00 178.15 178.52 1bav h MET 301 N 1.25 0.75 -0.49 2.37 2.86 -0.85 -1.32 114.93 119.50 1bav h MET 301 Ca 0.33 -0.26 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1bav h MET 301 Cb -0.12 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 1bav h MET 301 CO -0.07 0.85 0.09 0.93 1.06 0.00 0.00 176.91 179.77 1bav h GLU 302 N 0.68 0.76 -0.32 1.72 5.08 0.03 -0.67 114.58 121.86 1bav h GLU 302 Ca 0.11 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 1bav h GLU 302 Cb 0.61 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1bav h GLU 302 CO 0.04 0.70 -0.26 1.25 -1.00 0.00 0.00 179.01 179.74 1bav h HIS 303 N 0.73 0.88 -0.68 4.33 2.76 -0.72 -2.33 115.15 120.12 1bav h HIS 303 Ca 0.16 -0.25 -0.04 0.00 -2.20 0.00 0.00 60.37 58.04 1bav h HIS 303 Cb 0.31 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.05 1bav h HIS 303 CO 0.02 1.00 0.25 1.15 -1.30 0.00 0.00 177.93 179.04 1bav h THR 304 N 0.50 1.24 -0.08 6.26 2.02 -0.61 1.24 112.91 123.48 1bav h THR 304 Ca 0.06 -0.78 -0.19 0.00 0.77 0.00 0.00 66.41 66.27 1bav h THR 304 Cb 0.83 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1bav h THR 304 CO 0.07 0.31 -0.74 1.62 0.37 0.00 0.00 175.52 177.15 1bav h VAL 305 N 0.99 1.37 0.00 3.16 3.04 -1.12 -3.31 116.25 120.38 1bav h VAL 305 Ca 0.23 -2.14 -0.09 0.00 -1.01 0.00 0.00 66.70 63.68 1bav h VAL 305 Cb 0.23 2.12 -0.02 0.00 -2.01 0.00 0.00 31.29 31.61 1bav h VAL 305 CO -0.02 0.65 -1.22 0.59 -1.01 0.00 0.00 177.57 176.56 1bav n ASN 306 N -3.84 0.87 0.00 3.17 3.02 -0.88 -5.12 115.26 112.48 1bav n ASN 306 Ca -0.05 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1bav n ASN 306 Cb 0.72 0.27 0.00 0.00 -0.61 0.00 0.00 39.78 40.16 1bav n ASN 306 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23