#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 1.77 -3.56 0.00 3.00 -1.26 -4.90 116.66 111.70 1bav n ARG 2 Ca 0.00 -1.14 -0.14 0.00 -0.01 0.00 0.00 57.85 56.56 1bav n ARG 2 Cb 0.00 -1.42 -0.05 0.00 0.00 0.00 0.00 32.46 30.99 1bav n ARG 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1bav s SER 3 N -1.65 -0.45 0.38 0.55 0.15 -1.26 -5.02 113.70 106.41 1bav s SER 3 Ca 0.33 0.15 0.20 0.00 0.70 0.00 0.00 55.95 57.33 1bav s SER 3 Cb 0.18 0.50 0.59 0.00 -1.71 0.00 0.00 66.02 65.59 1bav s SER 3 CO 0.28 -0.75 1.69 0.71 1.20 0.00 0.00 173.24 176.37 1bav h THR 4 N 2.69 0.69 0.00 6.45 1.35 -1.92 -2.57 112.91 119.60 1bav h THR 4 Ca -0.31 -1.52 -0.01 0.00 -0.55 0.00 0.00 66.41 64.01 1bav h THR 4 Cb 1.22 2.00 -0.00 0.00 -1.73 0.00 0.00 68.15 69.64 1bav h THR 4 CO 0.41 0.32 -0.06 0.78 -0.25 0.00 0.00 175.52 176.72 1bav h ASN 5 N 0.00 0.00 0.44 5.36 -0.26 -2.00 -3.09 115.58 116.03 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 0.98 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.24 1bav h ASN 5 CO 0.04 0.06 -1.32 0.41 -1.06 0.00 0.00 177.43 175.56 1bav n THR 6 N -3.14 0.24 -1.72 2.81 -1.04 -1.09 -4.94 114.28 105.40 1bav n THR 6 Ca 0.02 -0.40 -0.43 0.00 -2.04 0.00 0.00 64.05 61.20 1bav n THR 6 Cb 0.45 0.02 -0.02 0.00 -1.82 0.00 0.00 70.33 68.95 1bav n THR 6 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1bav n PHE 7 N -2.24 2.70 -2.80 -1.42 -0.00 -0.99 -4.90 117.46 107.80 1bav n PHE 7 Ca -0.00 0.20 -0.43 0.00 -0.00 0.00 0.00 57.45 57.22 1bav n PHE 7 Cb 0.51 -2.60 -0.03 0.00 -0.00 0.00 0.00 39.48 37.35 1bav n PHE 7 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 1bav s ASN 8 N 0.74 6.32 0.24 -2.13 3.84 -1.26 -4.86 114.94 117.82 1bav s ASN 8 Ca 0.70 -1.24 0.23 0.00 0.21 0.00 0.00 52.86 52.76 1bav s ASN 8 Cb -0.53 -2.45 0.95 0.00 -0.55 0.00 0.00 41.25 38.67 1bav s ASN 8 CO 0.42 -1.41 1.70 -1.22 -2.79 0.00 0.00 177.10 173.80 1bav n TYR 9 N 7.77 0.76 0.66 0.43 4.02 -1.26 -3.27 117.16 126.27 1bav n TYR 9 Ca 0.08 0.29 0.04 0.00 -0.01 0.00 0.00 57.90 58.30 1bav n TYR 9 Cb 0.47 -0.97 0.14 0.00 -0.02 0.00 0.00 39.34 38.96 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 -1.75 2.76 -2.22 -0.72 0.00 -1.26 -4.70 120.51 112.62 1bav n ALA 10 Ca 0.02 -0.62 -0.07 0.00 0.00 0.00 0.00 53.44 52.77 1bav n ALA 10 Cb 0.24 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.65 0.20 0.31 0.00 -1.32 -1.20 -4.54 115.64 107.44 1bav s THR 11 Ca 0.20 -1.65 -0.26 0.00 -1.21 0.00 0.00 61.69 58.77 1bav s THR 11 Cb 0.13 -1.43 -0.10 0.00 -1.51 0.00 0.00 72.50 69.59 1bav s THR 11 CO 0.09 -0.91 0.92 -0.31 -2.21 0.00 0.00 174.62 172.20 1bav s TYR 12 N -3.79 3.70 0.31 9.09 2.02 -1.26 -5.02 117.35 122.39 1bav s TYR 12 Ca 0.06 1.75 0.08 0.00 -0.37 0.00 0.00 57.07 58.58 1bav s TYR 12 Cb 0.07 -2.89 -0.06 0.00 -0.40 0.00 0.00 41.96 38.67 1bav s TYR 12 CO -0.10 0.23 -0.07 -1.01 -1.57 0.00 0.00 175.55 173.03 1bav s HIS 13 N -1.60 2.16 0.75 2.71 3.76 -1.26 -5.15 115.29 116.66 1bav s HIS 13 Ca 0.49 -0.61 -0.09 0.00 -0.15 0.00 0.00 55.06 54.71 1bav s HIS 13 Cb -0.19 -1.24 0.08 0.00 1.11 0.00 0.00 32.58 32.35 1bav s HIS 13 CO 0.24 0.42 1.08 0.95 -0.85 0.00 0.00 174.74 176.58 1bav s THR 14 N -2.83 2.17 0.17 1.30 -4.23 -1.26 -4.92 115.64 106.04 1bav s THR 14 Ca 0.31 -0.18 -0.14 0.00 -1.18 0.00 0.00 61.69 60.50 1bav s THR 14 Cb 0.03 -2.99 0.06 0.00 1.34 0.00 0.00 72.50 70.94 1bav s THR 14 CO 0.14 0.00 1.78 0.25 -0.54 0.00 0.00 174.62 176.25 1bav h LEU 15 N -0.80 0.65 -0.83 4.79 7.12 -1.98 -1.57 115.31 122.69 1bav h LEU 15 Ca -0.45 -0.08 -0.00 0.00 0.13 0.00 0.00 57.88 57.48 1bav h LEU 15 Cb 1.31 -0.17 -0.04 0.00 -0.53 0.00 0.00 40.66 41.24 1bav h LEU 15 CO 0.60 0.55 0.51 0.44 -0.13 0.00 0.00 178.44 180.41 1bav h ASP 16 N 0.71 0.99 -0.19 1.25 3.32 -1.99 -0.74 116.42 119.77 1bav h ASP 16 Ca 0.19 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 1bav h ASP 16 Cb 0.03 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1bav h ASP 16 CO -0.03 0.76 -0.10 -0.33 -1.72 0.00 0.00 179.24 177.81 1bav h GLU 17 N 1.14 0.55 -0.32 3.56 5.08 -1.83 -0.37 114.58 122.39 1bav h GLU 17 Ca 0.30 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 1bav h GLU 17 Cb -0.06 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 1bav h GLU 17 CO -0.06 0.65 -0.32 0.82 -1.00 0.00 0.00 179.01 179.10 1bav h ILE 18 N 0.51 1.29 -0.24 3.13 2.04 -0.56 -1.67 117.51 122.01 1bav h ILE 18 Ca 0.10 -1.49 -0.12 0.00 1.00 0.00 0.00 64.86 64.35 1bav h ILE 18 Cb 0.48 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1bav h ILE 18 CO 0.03 0.48 -0.34 1.88 0.00 0.00 0.00 178.15 180.20 1bav h TYR 19 N 0.55 0.60 0.09 1.37 -1.99 -0.95 -2.39 116.97 114.25 1bav h TYR 19 Ca 0.05 -0.15 0.01 0.00 2.00 0.00 0.00 58.73 60.63 1bav h TYR 19 Cb 0.90 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 39.48 1bav h TYR 19 CO 0.07 0.79 -0.11 -0.44 -0.00 0.00 0.00 178.16 178.47 1bav h ASP 20 N 0.44 -0.31 -0.79 3.88 3.32 -0.93 -2.34 116.42 119.69 1bav h ASP 20 Ca 0.05 0.03 0.17 0.00 0.02 0.00 0.00 57.03 57.30 1bav h ASP 20 Cb 0.81 0.11 -0.11 0.00 0.22 0.00 0.00 39.33 40.36 1bav h ASP 20 CO 0.07 -0.17 0.27 0.15 -1.72 0.00 0.00 179.24 177.83 1bav h PHE 21 N -0.24 0.45 -0.33 4.55 3.57 -1.08 -1.19 116.94 122.66 1bav h PHE 21 Ca 0.01 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1bav h PHE 21 Cb 0.24 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1bav h PHE 21 CO -0.13 -0.03 0.16 0.52 -2.23 0.00 0.00 178.31 176.60 1bav h MET 22 N 0.36 0.32 -0.70 1.11 2.86 -0.91 -0.39 114.93 117.59 1bav h MET 22 Ca 0.46 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 58.04 1bav h MET 22 Cb 0.78 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.34 1bav h MET 22 CO -0.49 0.21 0.30 -0.44 1.06 0.00 0.00 176.91 177.56 1bav h ASP 23 N 0.33 0.92 -0.25 1.22 3.32 -0.99 -1.39 116.42 119.58 1bav h ASP 23 Ca 0.14 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1bav h ASP 23 Cb 0.06 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1bav h ASP 23 CO -0.10 0.81 -0.00 -0.07 -1.72 0.00 0.00 179.24 178.16 1bav h LEU 24 N 1.00 0.44 -0.89 1.55 3.38 -0.80 -1.40 115.31 118.58 1bav h LEU 24 Ca 0.24 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1bav h LEU 24 Cb 0.16 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1bav h LEU 24 CO -0.02 0.64 0.59 0.25 0.09 0.00 0.00 178.44 179.98 1bav h LEU 25 N 0.22 1.02 -0.39 1.67 5.85 -0.77 0.14 115.31 123.04 1bav h LEU 25 Ca 0.07 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1bav h LEU 25 Cb 0.42 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1bav h LEU 25 CO 0.01 0.73 0.03 0.58 -0.34 0.00 0.00 178.44 179.46 1bav h VAL 26 N 1.20 1.25 -0.45 1.05 2.07 -1.19 -0.85 116.25 119.33 1bav h VAL 26 Ca 0.33 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 1bav h VAL 26 Cb -0.12 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1bav h VAL 26 CO -0.08 0.32 0.06 0.00 0.02 0.00 0.00 177.57 177.89 1bav h ALA 27 N 0.90 1.26 0.03 1.67 0.00 -0.50 -1.69 119.26 120.93 1bav h ALA 27 Ca 0.12 -0.21 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 1bav h ALA 27 Cb 0.42 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1bav h ALA 27 CO 0.01 0.51 -0.97 1.96 0.00 0.00 0.00 179.25 180.76 1bav h GLN 28 N 0.67 0.18 -1.89 0.00 4.20 -0.54 -3.37 115.11 114.37 1bav h GLN 28 Ca 0.14 -0.23 -0.53 0.00 0.06 0.00 0.00 58.65 58.08 1bav h GLN 28 Cb 0.33 0.08 -0.41 0.00 0.30 0.00 0.00 27.48 27.78 1bav h GLN 28 CO 0.01 1.02 -0.86 0.72 -0.67 0.00 0.00 178.83 179.04 1bav n HIS 29 N -3.58 2.64 0.30 2.96 8.25 -0.34 -4.91 115.22 120.53 1bav n HIS 29 Ca -0.04 -3.61 0.17 0.00 -0.26 0.00 0.00 57.72 53.98 1bav n HIS 29 Cb 0.87 -0.37 0.97 0.00 1.12 0.00 0.00 29.99 32.59 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 2.90 0.00 -0.00 -0.41 0.13 -1.48 -0.32 132.00 132.80 1bav h PRO 30 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1bav h PRO 30 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1bav h PRO 30 CO 0.71 0.00 -0.01 0.39 -0.23 0.00 0.00 178.00 178.87 1bav n GLU 31 N -3.71 1.17 0.00 0.86 4.71 -1.26 -4.24 120.64 118.17 1bav n GLU 31 Ca -0.03 -0.30 0.00 0.00 -0.01 0.00 0.00 57.16 56.82 1bav n GLU 31 Cb 0.09 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.02 1bav n GLU 31 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1bav n LEU 32 N -0.66 1.20 -4.14 -4.62 7.94 -0.28 -4.85 117.00 111.60 1bav n LEU 32 Ca 0.22 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.90 1bav n LEU 32 Cb 0.19 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.00 1bav n LEU 32 CO 0.18 0.20 -0.48 0.54 -1.11 0.00 0.00 177.39 176.72 1bav s VAL 33 N -1.60 1.18 0.10 1.96 0.11 -0.36 -1.41 120.40 120.37 1bav s VAL 33 Ca 0.00 -0.79 0.02 0.00 -2.93 0.00 0.00 61.98 58.28 1bav s VAL 33 Cb 0.00 -1.01 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 1bav s VAL 33 CO 0.00 0.21 -0.08 -0.94 -3.33 0.00 0.00 175.10 170.96 1bav s SER 34 N -0.67 1.21 -0.16 3.54 1.04 -0.40 -4.48 113.70 113.78 1bav s SER 34 Ca 0.04 -0.93 -0.03 0.00 0.48 0.00 0.00 55.95 55.51 1bav s SER 34 Cb -0.07 0.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 1bav s SER 34 CO 0.00 -0.40 -0.05 -0.75 0.98 0.00 0.00 173.24 173.03 1bav s LYS 35 N -3.43 3.62 -0.12 4.02 2.20 -1.26 -0.35 119.74 124.42 1bav s LYS 35 Ca 0.09 -0.55 0.01 0.00 -0.36 0.00 0.00 55.97 55.16 1bav s LYS 35 Cb 0.02 -2.90 -0.01 0.00 -1.51 0.00 0.00 37.83 33.43 1bav s LYS 35 CO -0.03 0.20 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.49 1bav s LEU 36 N 0.47 2.59 -0.22 5.43 1.43 0.38 -4.98 118.68 123.78 1bav s LEU 36 Ca -0.04 -0.37 -0.18 0.00 -1.03 0.00 0.00 54.13 52.51 1bav s LEU 36 Cb -0.14 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 1bav s LEU 36 CO 0.03 0.18 0.52 -1.58 0.23 0.00 0.00 176.35 175.72 1bav s GLN 37 N 0.28 4.16 0.00 1.70 0.74 -1.26 -0.71 119.66 124.56 1bav s GLN 37 Ca -0.11 0.39 0.17 0.00 0.05 0.00 0.00 55.36 55.86 1bav s GLN 37 Cb -0.16 -3.59 0.06 0.00 1.10 0.00 0.00 33.01 30.42 1bav s GLN 37 CO 0.06 -0.21 0.95 0.44 -0.55 0.00 0.00 175.29 175.99 1bav n ILE 38 N 4.72 0.00 -2.37 -2.34 -5.35 -0.48 -4.99 119.36 108.54 1bav n ILE 38 Ca -0.05 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 1bav n ILE 38 Cb 0.50 1.27 0.00 0.00 -1.74 0.00 0.00 39.64 39.67 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 1.09 -1.61 3.09 3.28 0.00 -1.25 -4.78 105.19 105.00 1bav n GLY 39 Ca 0.08 -1.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.45 1.67 1.11 1.61 0.52 -1.26 -0.94 118.95 120.21 1bav s ARG 40 Ca 0.00 -0.52 -0.14 0.00 -0.52 0.00 0.00 55.73 54.55 1bav s ARG 40 Cb 0.00 -1.44 0.25 0.00 0.52 0.00 0.00 34.95 34.28 1bav s ARG 40 CO 0.00 0.17 1.06 -1.54 0.02 0.00 0.00 175.30 175.01 1bav s SER 41 N 0.22 1.62 0.27 0.23 1.04 0.94 -4.79 113.70 113.23 1bav s SER 41 Ca -0.07 1.21 0.00 0.00 0.48 0.00 0.00 55.95 57.57 1bav s SER 41 Cb -0.12 -1.87 0.57 0.00 0.10 0.00 0.00 66.02 64.69 1bav s SER 41 CO 0.03 -3.76 1.76 0.22 0.98 0.00 0.00 173.24 172.47 1bav h TYR 42 N -2.32 0.82 -0.42 5.02 3.20 -1.96 0.14 116.97 121.45 1bav h TYR 42 Ca -0.57 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.27 1bav h TYR 42 Cb 1.33 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.33 1bav h TYR 42 CO -0.09 0.19 0.09 0.39 -1.64 0.00 0.00 178.16 177.10 1bav n GLU 43 N -4.85 3.10 -1.15 1.82 1.02 -1.26 -4.91 120.64 114.40 1bav n GLU 43 Ca 0.18 -1.95 -0.05 0.00 -0.02 0.00 0.00 57.16 55.32 1bav n GLU 43 Cb 0.46 -1.93 -0.02 0.00 -0.02 0.00 0.00 31.44 29.92 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 0.20 0.78 3.71 0.62 0.00 0.49 -5.02 105.19 105.97 1bav n GLY 44 Ca 0.22 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.29 4.44 0.34 1.61 0.52 -1.26 -4.72 118.95 117.59 1bav s ARG 45 Ca 0.00 0.92 -0.29 0.00 -0.52 0.00 0.00 55.73 55.84 1bav s ARG 45 Cb 0.00 -3.45 -0.11 0.00 0.52 0.00 0.00 34.95 31.91 1bav s ARG 45 CO 0.00 0.04 1.46 -1.25 0.02 0.00 0.00 175.30 175.57 1bav s PRO 46 N 0.88 4.18 -0.24 3.54 0.04 -1.26 -0.04 135.00 142.10 1bav s PRO 46 Ca 0.38 2.47 -0.11 0.00 0.04 0.00 0.00 61.00 63.78 1bav s PRO 46 Cb -0.18 -3.01 -0.05 0.00 0.04 0.00 0.00 34.50 31.30 1bav s PRO 46 CO 0.19 -0.46 0.18 0.42 0.04 0.00 0.00 177.00 177.36 1bav s ILE 47 N -0.81 5.35 -0.00 0.56 1.01 -0.11 -4.85 121.20 122.34 1bav s ILE 47 Ca 0.54 0.22 0.08 0.00 0.00 0.00 0.00 60.65 61.50 1bav s ILE 47 Cb -0.45 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 1bav s ILE 47 CO 0.56 0.34 -0.26 -0.31 0.00 0.00 0.00 174.94 175.27 1bav s TYR 48 N 1.08 2.32 -0.09 3.97 2.02 -1.26 -1.39 117.35 124.00 1bav s TYR 48 Ca 0.08 -0.43 0.04 0.00 -0.37 0.00 0.00 57.07 56.39 1bav s TYR 48 Cb -0.14 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 39.96 1bav s TYR 48 CO 0.05 0.00 -0.22 0.08 -1.57 0.00 0.00 175.55 173.89 1bav s VAL 49 N -0.66 1.87 -0.01 0.71 1.01 0.11 -4.44 120.40 118.99 1bav s VAL 49 Ca 0.10 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.99 1bav s VAL 49 Cb -0.10 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 1bav s VAL 49 CO -0.00 0.52 0.51 -0.76 0.00 0.00 0.00 175.10 175.37 1bav s LEU 50 N 0.33 4.43 -0.20 3.92 1.43 -0.49 -0.47 118.68 127.61 1bav s LEU 50 Ca -0.16 1.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.97 1bav s LEU 50 Cb -0.17 -2.77 -0.00 0.00 0.03 0.00 0.00 46.19 43.28 1bav s LEU 50 CO 0.07 0.18 -0.08 -0.75 0.23 0.00 0.00 176.35 176.00 1bav s LYS 51 N -0.45 3.29 -0.20 1.70 2.20 0.53 -1.79 119.74 125.03 1bav s LYS 51 Ca 0.27 -0.67 -0.07 0.00 -0.36 0.00 0.00 55.97 55.14 1bav s LYS 51 Cb -0.17 -2.88 -0.04 0.00 -1.51 0.00 0.00 37.83 33.23 1bav s LYS 51 CO 0.15 -0.17 0.06 -0.06 -0.36 0.00 0.00 175.35 174.97 1bav s PHE 52 N 1.36 3.19 -0.16 4.03 0.40 -0.75 -1.27 117.98 124.77 1bav s PHE 52 Ca 0.04 -0.07 -0.28 0.00 -0.60 0.00 0.00 56.93 56.02 1bav s PHE 52 Cb -0.14 -2.11 0.08 0.00 0.51 0.00 0.00 43.02 41.36 1bav s PHE 52 CO -0.05 0.01 0.73 0.45 0.70 0.00 0.00 175.22 177.07 1bav s SER 53 N 0.68 -0.67 -0.35 1.36 0.15 -0.50 -2.08 113.70 112.29 1bav s SER 53 Ca 0.03 1.00 0.09 0.00 0.70 0.00 0.00 55.95 57.76 1bav s SER 53 Cb -0.13 0.91 0.73 0.00 -1.71 0.00 0.00 66.02 65.82 1bav s SER 53 CO 0.02 -0.43 1.84 0.35 1.20 0.00 0.00 173.24 176.22 1bav n THR 54 N 1.67 3.01 0.00 6.45 -2.24 -1.26 -4.55 114.28 117.36 1bav n THR 54 Ca -0.16 -1.71 0.00 0.00 -2.27 0.00 0.00 64.05 59.91 1bav n THR 54 Cb 0.56 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 -0.37 0.93 7.00 3.38 0.00 -1.26 -5.08 105.19 109.78 1bav n GLY 55 Ca 0.45 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.30 0.00 -0.02 0.00 -1.26 -4.89 105.19 98.72 1bav n GLY 56 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.54 0.00 -2.62 1.61 3.41 -1.26 -4.93 113.62 109.29 1bav n SER 57 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 1bav n SER 57 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 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 0.00 6.86 -4.66 4.04 5.15 -1.26 -4.95 115.26 120.44 1bav n ASN 58 Ca 0.00 -2.60 -0.36 0.00 -0.60 0.00 0.00 54.58 51.02 1bav n ASN 58 Cb 0.00 -1.46 0.08 0.00 -0.53 0.00 0.00 39.78 37.87 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 2.78 0.71 -1.72 1.20 1.74 -1.26 -4.88 116.66 115.23 1bav n ARG 59 Ca 0.59 0.30 -0.43 0.00 -0.77 0.00 0.00 57.85 57.54 1bav n ARG 59 Cb 0.59 -2.33 -0.02 0.00 -1.02 0.00 0.00 32.46 29.68 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 -1.91 2.43 -4.39 5.56 -0.02 -1.26 -4.65 135.00 130.77 1bav n PRO 60 Ca 0.14 0.86 -0.21 0.00 -2.02 0.00 0.00 63.50 62.27 1bav n PRO 60 Cb 0.49 -2.58 -0.10 0.00 -0.02 0.00 0.00 33.50 31.28 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 -0.19 2.29 -0.07 3.55 0.00 -0.25 -1.28 121.76 125.82 1bav s ALA 61 Ca 0.64 -1.72 0.05 0.00 0.00 0.00 0.00 51.96 50.93 1bav s ALA 61 Cb -0.55 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 1bav s ALA 61 CO 0.51 0.17 -0.24 0.42 0.00 0.00 0.00 175.76 176.63 1bav s ILE 62 N -2.66 1.98 -0.16 0.00 1.01 -0.05 0.03 121.20 121.34 1bav s ILE 62 Ca 0.24 -1.01 -0.04 0.00 0.00 0.00 0.00 60.65 59.84 1bav s ILE 62 Cb -0.03 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 1bav s ILE 62 CO 0.10 0.55 -0.02 0.86 0.00 0.00 0.00 174.94 176.43 1bav s TRP 63 N -0.02 3.06 -0.05 3.97 -0.11 0.79 -0.42 118.94 126.15 1bav s TRP 63 Ca -0.07 -0.26 0.01 0.00 1.22 0.00 0.00 56.10 57.00 1bav s TRP 63 Cb -0.15 -1.99 0.02 0.00 -1.50 0.00 0.00 33.47 29.86 1bav s TRP 63 CO 0.05 -0.03 -0.06 0.42 -4.62 0.00 0.00 176.95 172.70 1bav s ILE 64 N 0.43 0.69 0.11 5.86 1.01 0.26 -0.19 121.20 129.36 1bav s ILE 64 Ca -0.03 -0.21 0.07 0.00 0.00 0.00 0.00 60.65 60.48 1bav s ILE 64 Cb -0.14 -0.69 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 1bav s ILE 64 CO 0.02 0.26 -0.17 1.51 0.00 0.00 0.00 174.94 176.56 1bav s ASP 65 N 0.88 2.21 0.13 3.58 1.47 -0.42 -0.24 116.67 124.27 1bav s ASP 65 Ca -0.12 -0.72 0.00 0.00 1.18 0.00 0.00 52.55 52.90 1bav s ASP 65 Cb -0.15 -0.10 -0.04 0.00 -0.34 0.00 0.00 42.92 42.29 1bav s ASP 65 CO 0.01 -0.03 0.02 -0.76 0.68 0.00 0.00 175.17 175.08 1bav s LEU 66 N -2.08 2.06 -1.56 2.11 1.02 0.59 -0.90 118.68 119.92 1bav s LEU 66 Ca 0.06 -1.14 0.00 0.00 0.02 0.00 0.00 54.13 53.06 1bav s LEU 66 Cb -0.08 0.15 0.00 0.00 0.02 0.00 0.00 46.19 46.27 1bav s LEU 66 CO 0.04 -0.64 0.00 0.61 0.02 0.00 0.00 176.35 176.38 1bav n GLY 67 N -0.10 -0.11 0.32 -3.19 0.00 -1.26 -2.11 105.19 98.75 1bav n GLY 67 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 1.22 -3.48 -0.61 2.10 -1.90 -3.28 117.51 111.55 1bav h ILE 68 Ca -0.41 -0.68 -0.71 0.00 1.08 0.00 0.00 64.86 64.15 1bav h ILE 68 Cb 1.28 0.49 -0.20 0.00 -1.09 0.00 0.00 36.82 37.30 1bav h ILE 68 CO 0.50 0.27 -0.28 -1.00 -1.08 0.00 0.00 178.15 176.56 1bav s HIS 69 N -5.41 3.19 0.20 2.19 3.76 -1.26 -4.53 115.29 113.44 1bav s HIS 69 Ca -0.10 -0.52 -0.14 0.00 -0.15 0.00 0.00 55.06 54.16 1bav s HIS 69 Cb 0.16 -2.86 0.23 0.00 1.11 0.00 0.00 32.58 31.22 1bav s HIS 69 CO 0.80 -0.69 1.64 0.66 -0.85 0.00 0.00 174.74 176.29 1bav h SER 70 N 8.71 -0.52 0.01 1.40 4.64 -1.55 -2.09 113.55 124.17 1bav h SER 70 Ca -0.27 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1bav h SER 70 Cb 1.11 0.36 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1bav h SER 70 CO 0.79 -0.19 0.00 -2.11 -0.87 0.00 0.00 176.83 174.45 1bav n ARG 71 N -5.40 0.00 -1.97 4.77 1.85 -0.28 -4.04 116.66 111.61 1bav n ARG 71 Ca 0.07 0.41 -0.41 0.00 -1.00 0.00 0.00 57.85 56.92 1bav n ARG 71 Cb 0.32 -1.50 -0.00 0.00 -1.05 0.00 0.00 32.46 30.22 1bav n ARG 71 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1bav n GLU 72 N -1.42 3.74 -0.18 2.89 1.02 -0.79 -4.79 120.64 121.11 1bav n GLU 72 Ca 0.00 -3.12 0.21 0.00 -0.02 0.00 0.00 57.16 54.23 1bav n GLU 72 Cb 0.00 -2.90 0.59 0.00 -0.02 0.00 0.00 31.44 29.11 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 5.38 0.33 0.00 -0.32 4.06 -1.80 -0.84 115.95 122.75 1bav h TRP 73 Ca 0.58 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.53 1bav h TRP 73 Cb 0.49 -0.10 -0.00 0.00 -1.00 0.00 0.00 29.16 28.55 1bav h TRP 73 CO 1.48 0.09 -0.08 0.97 -3.56 0.00 0.00 178.44 177.35 1bav h ILE 74 N 0.25 0.59 -0.08 1.49 6.09 -1.86 -2.90 117.51 121.09 1bav h ILE 74 Ca 0.42 -0.34 -0.14 0.00 -1.37 0.00 0.00 64.86 63.42 1bav h ILE 74 Cb 1.24 1.21 0.01 0.00 0.47 0.00 0.00 36.82 39.75 1bav h ILE 74 CO -0.10 0.08 -0.51 0.71 -3.07 0.00 0.00 178.15 175.25 1bav h THR 75 N 0.00 1.38 -0.21 2.19 1.35 -1.49 -0.89 112.91 115.24 1bav h THR 75 Ca -0.00 -1.87 -0.10 0.00 -0.55 0.00 0.00 66.41 63.89 1bav h THR 75 Cb 0.21 2.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.88 1bav h THR 75 CO 0.01 0.56 -0.30 1.56 -0.25 0.00 0.00 175.52 177.10 1bav h GLN 76 N 0.07 0.43 -0.19 4.72 7.50 -1.67 -0.88 115.11 125.09 1bav h GLN 76 Ca -0.04 -0.17 -0.05 0.00 0.50 0.00 0.00 58.65 58.88 1bav h GLN 76 Cb 1.17 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 28.68 1bav h GLN 76 CO 0.11 0.69 -0.09 0.00 -1.50 0.00 0.00 178.83 178.03 1bav h ALA 77 N 1.31 0.26 0.00 3.87 0.00 -1.53 -2.16 119.26 121.01 1bav h ALA 77 Ca 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1bav h ALA 77 Cb 0.72 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1bav h ALA 77 CO 0.06 0.09 -0.09 1.15 0.00 0.00 0.00 179.25 180.45 1bav h THR 78 N 0.08 0.99 -0.39 0.00 2.02 -1.06 -2.80 112.91 111.75 1bav h THR 78 Ca 0.04 -0.33 -0.14 0.00 0.77 0.00 0.00 66.41 66.75 1bav h THR 78 Cb 0.58 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1bav h THR 78 CO 0.03 0.09 -0.30 1.23 0.37 0.00 0.00 175.52 176.94 1bav h GLY 79 N 0.31 0.97 1.08 2.16 0.00 -0.67 -1.09 103.07 105.83 1bav h GLY 79 Ca -0.00 -0.95 -0.10 0.00 0.00 0.00 0.00 47.33 46.28 1bav h GLY 79 CO 0.01 0.86 -0.01 -2.08 0.00 0.00 0.00 176.54 175.32 1bav h VAL 80 N 0.71 1.27 0.04 4.60 2.07 -1.22 -2.34 116.25 121.38 1bav h VAL 80 Ca 0.07 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1bav h VAL 80 Cb 0.89 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1bav h VAL 80 CO 0.08 0.42 -0.05 -0.25 0.02 0.00 0.00 177.57 177.79 1bav h TRP 81 N 0.94 -0.12 -0.50 1.57 7.01 -1.35 -2.20 115.95 121.30 1bav h TRP 81 Ca 0.17 0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.26 1bav h TRP 81 Cb 0.57 0.05 -0.08 0.00 -2.10 0.00 0.00 29.16 27.60 1bav h TRP 81 CO 0.04 -0.08 0.03 0.74 -2.79 0.00 0.00 178.44 176.39 1bav h PHE 82 N -0.11 0.03 -0.64 2.65 -1.00 -1.06 0.12 116.94 116.92 1bav h PHE 82 Ca 0.01 0.03 0.10 0.00 2.81 0.00 0.00 57.97 60.92 1bav h PHE 82 Cb 0.11 0.06 -0.07 0.00 3.61 0.00 0.00 35.95 39.66 1bav h PHE 82 CO -0.10 -0.08 0.26 0.00 -1.61 0.00 0.00 178.31 176.78 1bav h ALA 83 N 1.43 0.85 -0.33 2.45 0.00 -0.91 0.18 119.26 122.93 1bav h ALA 83 Ca 0.25 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 55.08 1bav h ALA 83 Cb 0.37 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1bav h ALA 83 CO -0.39 -0.16 -0.43 -0.22 0.00 0.00 0.00 179.25 178.05 1bav h LYS 84 N 0.46 0.83 -0.49 0.00 1.63 -0.65 -3.11 116.57 115.23 1bav h LYS 84 Ca 0.33 -0.45 -0.04 0.00 -0.85 0.00 0.00 60.65 59.63 1bav h LYS 84 Cb 0.40 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 1bav h LYS 84 CO -0.30 1.09 0.13 -0.22 -3.45 0.00 0.00 179.45 176.70 1bav h LYS 85 N 0.66 0.73 -0.67 1.90 1.63 -0.16 -1.44 116.57 119.23 1bav h LYS 85 Ca 0.05 -0.13 -0.05 0.00 -0.85 0.00 0.00 60.65 59.66 1bav h LYS 85 Cb 1.01 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 32.49 1bav h LYS 85 CO 0.10 0.65 0.21 0.74 -3.45 0.00 0.00 179.45 177.70 1bav h PHE 86 N 0.71 1.04 0.00 1.91 0.04 -0.92 -0.85 116.94 118.87 1bav h PHE 86 Ca 0.16 -0.09 -0.06 0.00 2.80 0.00 0.00 57.97 60.78 1bav h PHE 86 Cb 0.24 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 1bav h PHE 86 CO 0.01 0.83 -0.31 1.79 -0.60 0.00 0.00 178.31 180.03 1bav h THR 87 N 0.98 0.54 0.18 -1.55 1.35 -1.44 -2.91 112.91 110.06 1bav h THR 87 Ca 0.22 -1.72 -0.27 0.00 -0.55 0.00 0.00 66.41 64.08 1bav h THR 87 Cb 0.27 2.24 0.02 0.00 -1.73 0.00 0.00 68.15 68.95 1bav h THR 87 CO -0.01 0.30 -1.25 -0.33 -0.25 0.00 0.00 175.52 173.98 1bav h GLU 88 N 0.00 0.38 0.00 4.72 5.08 -0.96 -3.39 114.58 120.42 1bav h GLU 88 Ca -0.00 -0.66 -0.01 0.00 -1.00 0.00 0.00 59.36 57.69 1bav h GLU 88 Cb 1.21 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.71 1bav h GLU 88 CO 0.04 1.31 -0.41 -0.91 -1.00 0.00 0.00 179.01 178.04 1bav h ASN 89 N -0.13 0.00 -3.89 1.42 4.21 -1.27 -3.43 115.58 112.49 1bav h ASN 89 Ca -0.23 0.00 -0.52 0.00 1.21 0.00 0.00 56.30 56.75 1bav h ASN 89 Cb 1.90 0.00 0.07 0.00 -1.12 0.00 0.00 38.32 39.16 1bav h ASN 89 CO 0.18 0.03 0.63 -0.47 -1.29 0.00 0.00 177.43 176.51 1bav s TYR 90 N -3.25 3.02 0.00 1.19 5.04 -1.10 -1.06 117.35 121.19 1bav s TYR 90 Ca 0.04 1.42 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 1bav s TYR 90 Cb 0.07 -3.68 0.00 0.00 0.35 0.00 0.00 41.96 38.70 1bav s TYR 90 CO 0.72 -1.88 0.00 0.41 -1.34 0.00 0.00 175.55 173.46 1bav n GLY 91 N 0.78 2.89 0.07 8.97 0.00 -1.26 -4.76 105.19 111.88 1bav n GLY 91 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.03 0.17 -2.28 1.61 1.13 -0.67 -4.91 117.38 111.40 1bav n GLN 92 Ca 0.00 0.07 -0.43 0.00 -1.94 0.00 0.00 57.00 54.70 1bav n GLN 92 Cb 0.00 -0.78 -0.02 0.00 0.11 0.00 0.00 30.24 29.55 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 -4.66 6.55 0.25 1.08 3.84 -0.22 -4.92 114.94 116.85 1bav s ASN 93 Ca -0.09 1.41 -0.04 0.00 0.21 0.00 0.00 52.86 54.35 1bav s ASN 93 Cb 0.01 -2.54 0.47 0.00 -0.55 0.00 0.00 41.25 38.65 1bav s ASN 93 CO 0.14 -1.15 1.74 -0.65 -2.79 0.00 0.00 177.10 174.38 1bav h PRO 94 N 9.92 0.47 0.37 0.43 0.11 -1.91 0.57 132.00 141.96 1bav h PRO 94 Ca -0.30 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 1bav h PRO 94 Cb 1.12 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1bav h PRO 94 CO 1.02 0.31 -0.18 1.03 -0.21 0.00 0.00 178.00 179.97 1bav h SER 95 N 0.49 -0.43 -0.45 -2.05 0.87 -1.97 -0.59 113.55 109.42 1bav h SER 95 Ca 0.42 -0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.86 1bav h SER 95 Cb 0.62 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 1bav h SER 95 CO -0.39 -0.06 0.30 0.15 -0.53 0.00 0.00 176.83 176.31 1bav h PHE 96 N -0.85 0.54 -0.29 2.24 3.57 -1.88 -0.81 116.94 119.46 1bav h PHE 96 Ca -0.05 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.35 1bav h PHE 96 Cb 0.54 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1bav h PHE 96 CO 0.02 0.33 -0.28 1.79 -2.23 0.00 0.00 178.31 177.94 1bav h THR 97 N 0.57 1.28 -0.72 4.41 1.35 -0.75 -1.31 112.91 117.74 1bav h THR 97 Ca 0.17 -1.37 -0.04 0.00 -0.55 0.00 0.00 66.41 64.63 1bav h THR 97 Cb -0.00 1.35 -0.03 0.00 -1.73 0.00 0.00 68.15 67.74 1bav h THR 97 CO -0.04 0.44 0.32 0.00 -0.25 0.00 0.00 175.52 175.99 1bav h ALA 98 N 1.18 0.94 -0.06 6.62 0.00 0.34 -0.51 119.26 127.77 1bav h ALA 98 Ca 0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1bav h ALA 98 Cb 0.75 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1bav h ALA 98 CO 0.06 0.53 0.03 0.82 0.00 0.00 0.00 179.25 180.69 1bav h ILE 99 N 1.03 1.12 0.00 0.00 2.04 -0.99 -2.38 117.51 118.32 1bav h ILE 99 Ca 0.24 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1bav h ILE 99 Cb 0.17 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1bav h ILE 99 CO -0.02 0.10 0.00 0.18 0.00 0.00 0.00 178.15 178.40 1bav n LEU 100 N -4.98 0.07 0.08 1.44 4.77 -0.53 -0.40 117.00 117.45 1bav n LEU 100 Ca -0.06 0.52 -0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1bav n LEU 100 Cb 0.09 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.64 1bav n LEU 100 CO 0.34 -0.25 0.11 0.44 -1.33 0.00 0.00 177.39 176.70 1bav h ASP 101 N 0.00 0.00 0.00 -1.43 3.32 -0.59 -3.36 116.42 114.36 1bav h ASP 101 Ca 0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 1bav h ASP 101 Cb 0.29 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.78 1bav h ASP 101 CO 0.00 0.61 -2.36 -1.20 -1.72 0.00 0.00 179.24 174.57 1bav n SER 102 N -3.11 1.75 -4.48 6.45 7.64 -0.79 -4.97 113.62 116.11 1bav n SER 102 Ca -0.03 -0.10 -0.23 0.00 1.01 0.00 0.00 58.87 59.51 1bav n SER 102 Cb 0.81 -0.10 -0.11 0.00 -1.01 0.00 0.00 64.21 63.80 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 -2.48 1.70 0.07 1.43 -1.94 0.46 -4.37 119.30 114.18 1bav s MET 103 Ca -0.28 -1.93 0.04 0.00 -1.71 0.00 0.00 55.69 51.81 1bav s MET 103 Cb 0.08 -1.11 -0.04 0.00 2.01 0.00 0.00 34.83 35.77 1bav s MET 103 CO 0.60 -0.11 0.02 -0.51 -0.01 0.00 0.00 175.02 175.01 1bav s ASP 104 N -3.53 5.15 -0.06 3.03 1.01 -0.40 -4.47 116.67 117.39 1bav s ASP 104 Ca 0.35 -0.11 0.05 0.00 0.71 0.00 0.00 52.55 53.54 1bav s ASP 104 Cb 0.08 -1.28 -0.00 0.00 1.01 0.00 0.00 42.92 42.72 1bav s ASP 104 CO 0.15 0.19 -0.21 -0.63 0.21 0.00 0.00 175.17 174.88 1bav s ILE 105 N -1.29 1.79 -0.13 0.77 1.01 -0.88 -0.87 121.20 121.59 1bav s ILE 105 Ca 0.25 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 1bav s ILE 105 Cb -0.12 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 1bav s ILE 105 CO 0.18 0.50 -0.11 -0.36 0.00 0.00 0.00 174.94 175.14 1bav s PHE 106 N 0.09 2.84 -0.15 3.97 0.40 0.44 -1.82 117.98 123.76 1bav s PHE 106 Ca -0.08 -0.54 0.00 0.00 -0.60 0.00 0.00 56.93 55.71 1bav s PHE 106 Cb -0.14 -1.85 0.03 0.00 0.51 0.00 0.00 43.02 41.57 1bav s PHE 106 CO 0.05 -0.15 -0.12 -1.17 0.70 0.00 0.00 175.22 174.52 1bav s LEU 107 N 0.26 1.71 -0.44 -0.37 2.96 -0.74 -0.58 118.68 121.48 1bav s LEU 107 Ca -0.08 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 53.27 1bav s LEU 107 Cb -0.15 -1.13 0.12 0.00 0.50 0.00 0.00 46.19 45.52 1bav s LEU 107 CO 0.05 -0.08 0.25 -0.70 -1.32 0.00 0.00 176.35 174.54 1bav s GLU 108 N 1.51 2.11 0.11 1.98 2.12 0.66 -1.40 118.70 125.79 1bav s GLU 108 Ca 0.04 -1.91 -0.14 0.00 0.36 0.00 0.00 54.97 53.32 1bav s GLU 108 Cb -0.13 -3.63 -0.07 0.00 0.26 0.00 0.00 34.13 30.56 1bav s GLU 108 CO -0.10 -1.10 1.44 0.82 -0.54 0.00 0.00 175.26 175.79 1bav h ILE 109 N 6.21 1.29 -3.16 -3.70 2.04 -1.83 0.17 117.51 118.53 1bav h ILE 109 Ca -0.12 -1.44 -0.63 0.00 1.00 0.00 0.00 64.86 63.67 1bav h ILE 109 Cb 1.04 1.50 -0.41 0.00 -0.74 0.00 0.00 36.82 38.21 1bav h ILE 109 CO 0.71 0.47 -0.62 -0.69 0.00 0.00 0.00 178.15 178.02 1bav s VAL 110 N -4.42 2.62 0.10 1.67 1.01 -1.26 -3.98 120.40 116.15 1bav s VAL 110 Ca -0.12 -3.79 0.26 0.00 0.00 0.00 0.00 61.98 58.33 1bav s VAL 110 Cb 0.09 -2.76 0.27 0.00 0.00 0.00 0.00 36.38 33.98 1bav s VAL 110 CO 0.84 -0.93 1.85 0.74 0.00 0.00 0.00 175.10 177.60 1bav h THR 111 N 4.85 0.41 -2.63 3.92 2.02 -1.59 -3.35 112.91 116.53 1bav h THR 111 Ca 0.06 -0.98 -0.60 0.00 0.77 0.00 0.00 66.41 65.66 1bav h THR 111 Cb 0.82 1.72 -0.40 0.00 -1.74 0.00 0.00 68.15 68.55 1bav h THR 111 CO 0.68 0.16 -0.81 -3.20 0.37 0.00 0.00 175.52 172.73 1bav n ASN 112 N -3.31 1.10 -0.14 4.18 4.05 -1.24 -4.84 115.26 115.06 1bav n ASN 112 Ca 0.00 -2.76 -0.03 0.00 0.45 0.00 0.00 54.58 52.24 1bav n ASN 112 Cb 0.41 -0.64 0.04 0.00 1.23 0.00 0.00 39.78 40.81 1bav n ASN 112 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1bav h PRO 113 N 5.42 0.04 -0.01 1.20 0.11 -1.91 -2.72 132.00 134.13 1bav h PRO 113 Ca 0.21 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.28 1bav h PRO 113 Cb 0.84 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 1bav h PRO 113 CO 0.53 0.03 -0.15 -0.91 -0.21 0.00 0.00 178.00 177.28 1bav h ASN 114 N 0.04 0.02 -0.02 -2.05 -0.26 -1.95 -2.25 115.58 109.11 1bav h ASN 114 Ca 0.22 -0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.92 1bav h ASN 114 Cb 0.34 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 1bav h ASN 114 CO -0.43 0.18 -0.15 1.23 -1.06 0.00 0.00 177.43 177.19 1bav h GLY 115 N 0.50 0.16 0.37 2.83 0.00 -1.71 -3.04 103.07 102.17 1bav h GLY 115 Ca 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 47.33 47.18 1bav h GLY 115 CO 0.02 0.21 0.09 -2.75 0.00 0.00 0.00 176.54 174.11 1bav h PHE 116 N -0.47 0.14 -0.62 5.60 3.57 -1.17 -1.01 116.94 122.98 1bav h PHE 116 Ca -0.01 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1bav h PHE 116 Cb 0.83 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 1bav h PHE 116 CO 0.16 -0.01 0.36 0.00 -2.23 0.00 0.00 178.31 176.59 1bav h ALA 117 N 1.38 0.81 -0.13 2.41 0.00 -1.52 -2.13 119.26 120.07 1bav h ALA 117 Ca 0.24 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1bav h ALA 117 Cb 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1bav h ALA 117 CO -0.32 0.08 0.00 0.35 0.00 0.00 0.00 179.25 179.36 1bav h PHE 118 N 0.70 0.18 0.00 0.00 3.57 -1.19 -1.18 116.94 119.02 1bav h PHE 118 Ca 0.26 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 1bav h PHE 118 Cb 0.08 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1bav h PHE 118 CO -0.06 0.19 -0.19 1.79 -2.23 0.00 0.00 178.31 177.81 1bav h THR 119 N 0.18 0.41 0.00 4.41 1.35 -0.53 0.10 112.91 118.83 1bav h THR 119 Ca 0.05 -1.13 -0.26 0.00 -0.55 0.00 0.00 66.41 64.52 1bav h THR 119 Cb 0.12 1.84 -0.05 0.00 -1.73 0.00 0.00 68.15 68.33 1bav h THR 119 CO 0.00 0.18 -1.70 1.41 -0.25 0.00 0.00 175.52 175.17 1bav n HIS 120 N -3.27 0.87 0.02 4.73 8.25 -0.52 -3.51 115.22 121.80 1bav n HIS 120 Ca 0.01 0.31 0.05 0.00 -0.26 0.00 0.00 57.72 57.83 1bav n HIS 120 Cb 0.46 -1.13 -0.08 0.00 1.12 0.00 0.00 29.99 30.37 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 -2.95 2.53 0.00 0.41 3.41 -0.76 -4.98 113.62 111.27 1bav n SER 121 Ca -0.16 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1bav n SER 121 Cb 0.99 1.44 0.00 0.00 -0.26 0.00 0.00 64.21 66.38 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 -1.82 0.00 -4.01 4.33 -0.58 0.23 -5.07 120.64 113.73 1bav n GLU 122 Ca -0.02 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.41 1bav n GLU 122 Cb 0.26 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 30.98 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 -0.33 4.19 0.65 1.62 2.47 -0.45 -4.99 114.94 118.09 1bav s ASN 123 Ca 0.00 -1.30 0.38 0.00 0.42 0.00 0.00 52.86 52.35 1bav s ASN 123 Cb 0.00 -1.39 2.09 0.00 -1.45 0.00 0.00 41.25 40.51 1bav s ASN 123 CO 0.00 -0.21 2.24 -0.09 -3.72 0.00 0.00 177.10 175.32 1bav h ARG 124 N 7.85 0.00 -0.34 0.43 9.65 -1.78 -2.30 114.38 127.89 1bav h ARG 124 Ca -0.18 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.69 1bav h ARG 124 Cb 1.05 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.63 1bav h ARG 124 CO 0.44 0.00 0.00 1.28 2.80 0.00 0.00 179.97 184.49 1bav n LEU 125 N -3.26 4.39 -4.77 3.80 4.77 -1.26 -4.61 117.00 116.05 1bav n LEU 125 Ca -0.02 -3.01 -0.37 0.00 -0.03 0.00 0.00 56.01 52.58 1bav n LEU 125 Cb 0.17 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.65 1bav n LEU 125 CO 0.21 0.67 0.79 0.86 -1.33 0.00 0.00 177.39 178.59 1bav s TRP 126 N -2.82 3.13 0.00 -1.77 -0.11 -0.86 -4.82 118.94 111.68 1bav s TRP 126 Ca 0.46 1.59 0.00 0.00 1.22 0.00 0.00 56.10 59.37 1bav s TRP 126 Cb 0.36 -3.28 0.00 0.00 -1.50 0.00 0.00 33.47 29.06 1bav s TRP 126 CO 0.11 -1.05 0.00 2.89 -4.62 0.00 0.00 176.95 174.28 1bav n ARG 127 N -0.06 1.48 -1.31 5.86 -4.01 -1.26 -1.12 116.66 116.24 1bav n ARG 127 Ca 0.05 0.00 -0.25 0.00 -1.04 0.00 0.00 57.85 56.61 1bav n ARG 127 Cb 0.48 -0.77 0.19 0.00 -3.04 0.00 0.00 32.46 29.32 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 -1.55 -1.82 -1.80 2.89 5.02 -1.26 -2.30 118.16 117.33 1bav n LYS 128 Ca 0.00 -1.64 -0.30 0.00 -2.02 0.00 0.00 58.31 54.35 1bav n LYS 128 Cb 0.27 -1.26 0.20 0.00 -0.02 0.00 0.00 35.03 34.22 1bav n LYS 128 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1bav s THR 129 N -3.15 1.94 -0.30 -0.18 -4.23 0.54 -4.46 115.64 105.81 1bav s THR 129 Ca 0.63 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 61.29 1bav s THR 129 Cb -0.03 -2.92 0.43 0.00 1.34 0.00 0.00 72.50 71.31 1bav s THR 129 CO 0.46 0.00 1.33 0.54 -0.54 0.00 0.00 174.62 176.40 1bav n ARG 130 N -3.93 2.67 -2.14 3.99 5.12 -1.26 -3.34 116.66 117.77 1bav n ARG 130 Ca 0.15 -2.59 -0.41 0.00 -1.93 0.00 0.00 57.85 53.07 1bav n ARG 130 Cb 0.59 -1.65 -0.02 0.00 -1.16 0.00 0.00 32.46 30.22 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 -1.86 6.80 0.00 0.55 1.04 -1.26 -4.52 113.70 114.45 1bav s SER 131 Ca 0.35 2.60 0.00 0.00 0.48 0.00 0.00 55.95 59.38 1bav s SER 131 Cb 0.27 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1bav s SER 131 CO 0.09 -0.54 0.00 1.33 0.98 0.00 0.00 173.24 175.10 1bav n VAL 132 N 1.48 0.00 -3.66 5.02 0.24 -1.26 -1.07 118.33 119.08 1bav n VAL 132 Ca 0.02 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.01 1bav n VAL 132 Cb 0.42 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 32.83 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 -6.00 -3.96 3.34 -1.04 -1.26 -4.84 114.28 100.53 1bav n THR 133 Ca 0.00 -0.98 -0.09 0.00 -2.04 0.00 0.00 64.05 60.94 1bav n THR 133 Cb 0.00 -4.44 -0.05 0.00 -1.82 0.00 0.00 70.33 64.03 1bav n THR 133 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1bav s SER 134 N -3.46 -0.13 -0.96 8.00 0.15 -1.26 -5.02 113.70 111.04 1bav s SER 134 Ca 0.48 -0.84 -0.02 0.00 0.70 0.00 0.00 55.95 56.27 1bav s SER 134 Cb -0.17 0.60 0.32 0.00 -1.71 0.00 0.00 66.02 65.06 1bav s SER 134 CO 0.86 -1.16 1.95 -1.20 1.20 0.00 0.00 173.24 174.89 1bav n SER 135 N -0.39 7.44 -4.03 5.45 7.64 -1.26 -4.91 113.62 123.56 1bav n SER 135 Ca -0.03 -3.72 -0.10 0.00 1.01 0.00 0.00 58.87 56.04 1bav n SER 135 Cb 0.62 -1.14 -0.08 0.00 -1.01 0.00 0.00 64.21 62.60 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 -1.13 0.11 -0.00 6.43 0.15 -1.26 -5.04 113.70 112.96 1bav s SER 136 Ca 0.45 -1.01 0.22 0.00 0.70 0.00 0.00 55.95 56.31 1bav s SER 136 Cb 0.29 0.40 -0.21 0.00 -1.71 0.00 0.00 66.02 64.80 1bav s SER 136 CO -0.24 -0.86 0.84 0.00 1.20 0.00 0.00 173.24 174.17 1bav n LEU 137 N -0.20 0.74 -4.93 3.45 -0.00 -1.26 -4.95 117.00 109.85 1bav n LEU 137 Ca -0.06 -0.34 -0.25 0.00 -0.00 0.00 0.00 56.01 55.36 1bav n LEU 137 Cb 0.63 -0.02 -0.01 0.00 -0.00 0.00 0.00 43.42 44.03 1bav n LEU 137 CO 0.27 0.18 0.26 0.00 -0.00 0.00 0.00 177.39 178.09 1bav s VAL 139 N -2.42 1.83 0.00 0.00 -7.23 -1.26 -4.91 120.40 106.41 1bav s VAL 139 Ca 0.42 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 1bav s VAL 139 Cb -0.10 -1.72 0.00 0.00 0.56 0.00 0.00 36.38 35.12 1bav s VAL 139 CO 0.38 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.65 1bav n GLY 140 N 0.77 -0.16 3.16 2.32 0.00 -0.23 -4.89 105.19 106.15 1bav n GLY 140 Ca -0.17 -1.58 -0.22 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.97 1.27 -0.50 1.61 1.01 -1.24 -4.77 120.40 114.81 1bav s VAL 141 Ca 0.00 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 60.78 1bav s VAL 141 Cb 0.00 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 1bav s VAL 141 CO 0.00 0.17 1.69 -0.62 0.00 0.00 0.00 175.10 176.34 1bav s ASP 142 N -0.88 5.76 0.00 3.32 -1.08 0.12 -0.34 116.67 123.57 1bav s ASP 142 Ca 0.04 0.64 0.09 0.00 -0.52 0.00 0.00 52.55 52.81 1bav s ASP 142 Cb -0.07 -2.53 0.45 0.00 -1.46 0.00 0.00 42.92 39.30 1bav s ASP 142 CO 0.01 -1.93 1.23 0.00 0.52 0.00 0.00 175.17 174.99 1bav n ALA 143 N 10.89 1.54 -0.26 3.66 0.00 -1.26 -1.32 120.51 133.76 1bav n ALA 143 Ca 0.19 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.69 1bav n ALA 143 Cb 0.49 -1.15 0.28 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.37 3.70 0.00 0.00 5.15 -1.26 -3.87 115.26 117.62 1bav n ASN 144 Ca 0.04 -1.99 0.00 0.00 -0.60 0.00 0.00 54.58 52.02 1bav n ASN 144 Cb 0.09 -0.41 0.00 0.00 -0.53 0.00 0.00 39.78 38.92 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 1.42 1.40 0.00 1.20 5.12 -0.43 -3.35 116.66 122.01 1bav n ARG 145 Ca 0.21 -1.03 0.12 0.00 -1.93 0.00 0.00 57.85 55.23 1bav n ARG 145 Cb 0.58 -0.91 0.15 0.00 -1.16 0.00 0.00 32.46 31.12 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 -0.28 2.11 -4.85 0.55 4.05 -1.05 -4.37 115.26 111.42 1bav n ASN 146 Ca 0.00 -1.57 -0.31 0.00 0.45 0.00 0.00 54.58 53.15 1bav n ASN 146 Cb 0.21 0.22 0.02 0.00 1.23 0.00 0.00 39.78 41.47 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 -2.28 3.42 -1.33 1.20 0.52 0.19 -0.39 118.94 120.27 1bav s TRP 147 Ca 0.25 1.36 -0.08 0.00 0.02 0.00 0.00 56.10 57.64 1bav s TRP 147 Cb 0.19 -2.79 0.12 0.00 -1.15 0.00 0.00 33.47 29.84 1bav s TRP 147 CO 0.45 -0.85 2.20 -3.47 0.02 0.00 0.00 176.95 175.30 1bav n ASP 148 N -2.73 6.60 -3.37 2.95 2.03 -1.26 -4.25 116.55 116.53 1bav n ASP 148 Ca 0.07 -3.07 -0.12 0.00 0.52 0.00 0.00 54.79 52.18 1bav n ASP 148 Cb 0.54 -1.44 -0.08 0.00 -0.72 0.00 0.00 41.12 39.41 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 -0.03 -0.86 -1.72 -1.67 0.00 -1.26 -4.80 121.76 111.43 1bav s ALA 149 Ca 0.48 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1bav s ALA 149 Cb 0.14 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.46 1bav s ALA 149 CO -0.05 -1.54 0.00 0.41 0.00 0.00 0.00 175.76 174.58 1bav n GLY 150 N 5.34 1.21 3.61 0.00 0.00 -1.26 -1.03 105.19 113.06 1bav n GLY 150 Ca -0.02 -0.20 -0.49 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.87 1.70 -0.48 1.61 7.35 -1.26 -1.15 117.46 122.36 1bav n PHE 151 Ca -0.18 0.54 0.00 0.00 -0.76 0.00 0.00 57.45 57.06 1bav n PHE 151 Cb 0.58 -2.38 0.00 0.00 0.35 0.00 0.00 39.48 38.03 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 2.55 1.43 3.93 7.13 0.00 -1.26 -4.98 105.19 113.98 1bav n GLY 152 Ca 0.16 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 -0.22 1.21 0.32 1.61 1.02 -0.30 -4.98 119.74 118.39 1bav s LYS 153 Ca 0.00 -0.33 -0.29 0.00 0.02 0.00 0.00 55.97 55.37 1bav s LYS 153 Cb 0.00 -1.94 -0.12 0.00 -0.52 0.00 0.00 37.83 35.24 1bav s LYS 153 CO 0.00 -2.02 1.43 0.00 -0.92 0.00 0.00 175.35 173.84 1bav n ALA 154 N -3.49 1.79 0.00 5.17 0.00 -1.26 -3.53 120.51 119.19 1bav n ALA 154 Ca 0.13 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1bav n ALA 154 Cb 0.60 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 1.27 1.02 2.96 0.00 0.00 -1.26 -3.89 105.19 105.29 1bav n GLY 155 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.98 -0.09 0.23 4.61 0.00 -1.23 -3.97 121.76 119.31 1bav s ALA 156 Ca 0.00 -0.06 -0.20 0.00 0.00 0.00 0.00 51.96 51.70 1bav s ALA 156 Cb 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 23.12 23.03 1bav s ALA 156 CO 0.00 -0.08 0.73 0.45 0.00 0.00 0.00 175.76 176.87 1bav s SER 157 N -0.48 7.07 0.15 0.00 0.15 -0.53 -4.88 113.70 115.18 1bav s SER 157 Ca -0.05 1.44 0.23 0.00 0.70 0.00 0.00 55.95 58.27 1bav s SER 157 Cb -0.03 -2.43 0.19 0.00 -1.71 0.00 0.00 66.02 62.04 1bav s SER 157 CO -0.00 0.03 1.20 -1.28 1.20 0.00 0.00 173.24 174.39 1bav h SER 158 N 3.42 0.00 -3.36 5.45 0.87 -1.97 -2.28 113.55 115.67 1bav h SER 158 Ca -0.48 -0.15 -0.57 0.00 -1.23 0.00 0.00 61.79 59.36 1bav h SER 158 Cb 1.19 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.09 1bav h SER 158 CO 0.65 0.08 0.10 -0.94 -0.53 0.00 0.00 176.83 176.19 1bav s SER 159 N -4.62 6.92 0.50 6.23 1.04 -1.26 -4.94 113.70 117.57 1bav s SER 159 Ca 0.04 1.10 0.27 0.00 0.48 0.00 0.00 55.95 57.84 1bav s SER 159 Cb 0.12 -2.40 1.35 0.00 0.10 0.00 0.00 66.02 65.19 1bav s SER 159 CO 0.75 -0.15 1.88 -0.65 0.98 0.00 0.00 173.24 176.05 1bav h PRO 160 N 6.90 0.13 0.00 4.02 0.11 -1.95 -1.88 132.00 139.33 1bav h PRO 160 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1bav h PRO 160 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1bav h PRO 160 CO 0.76 0.09 0.00 0.00 -0.21 0.00 0.00 178.00 178.64 1bav s SER 162 N -3.24 5.76 0.48 0.00 0.15 -0.71 -4.95 113.70 111.20 1bav s SER 162 Ca 0.13 1.82 0.28 0.00 0.70 0.00 0.00 55.95 58.87 1bav s SER 162 Cb 0.17 -2.53 1.03 0.00 -1.71 0.00 0.00 66.02 62.97 1bav s SER 162 CO 0.51 -1.18 1.86 -0.33 1.20 0.00 0.00 173.24 175.30 1bav h GLU 163 N 0.41 0.00 -0.41 5.44 4.39 -1.90 -2.96 114.58 119.55 1bav h GLU 163 Ca -0.47 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.10 1bav h GLU 163 Cb 1.22 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.79 1bav h GLU 163 CO 0.57 0.12 0.05 0.25 -1.16 0.00 0.00 179.01 178.84 1bav n THR 164 N -3.24 2.54 -1.68 1.13 -2.24 -1.26 -4.46 114.28 105.07 1bav n THR 164 Ca 0.01 -2.21 -0.44 0.00 -2.27 0.00 0.00 64.05 59.13 1bav n THR 164 Cb 0.40 -0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.28 1bav n THR 164 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bav n TYR 165 N -0.77 2.49 0.63 4.78 9.36 -1.12 -1.46 117.16 131.07 1bav n TYR 165 Ca 0.31 -0.04 0.13 0.00 3.32 0.00 0.00 57.90 61.62 1bav n TYR 165 Cb 1.07 -2.68 0.40 0.00 -0.63 0.00 0.00 39.34 37.50 1bav n TYR 165 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 1bav n HIS 166 N 5.43 0.91 0.00 2.98 1.44 -0.86 -0.70 115.22 124.42 1bav n HIS 166 Ca 0.19 0.26 0.00 0.00 -2.01 0.00 0.00 57.72 56.16 1bav n HIS 166 Cb 0.34 -0.93 0.00 0.00 0.12 0.00 0.00 29.99 29.52 1bav n HIS 166 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1bav n GLY 167 N 1.31 0.46 0.15 -1.39 0.00 -1.26 -4.25 105.19 100.21 1bav n GLY 167 Ca 0.06 -2.04 -0.14 0.00 0.00 0.00 0.00 46.02 43.90 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 0.38 -3.19 1.61 2.10 -1.97 -3.48 116.57 112.03 1bav h LYS 168 Ca 0.00 -0.44 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1bav h LYS 168 Cb 0.00 0.13 -0.09 0.00 -0.90 0.00 0.00 32.23 31.37 1bav h LYS 168 CO 0.00 1.12 0.11 1.52 -2.00 0.00 0.00 179.45 180.20 1bav s TYR 169 N -3.17 -0.18 0.32 0.07 -0.85 -1.26 -5.09 117.35 107.18 1bav s TYR 169 Ca -0.05 -0.18 -0.29 0.00 -0.52 0.00 0.00 57.07 56.03 1bav s TYR 169 Cb 0.09 0.50 -0.12 0.00 0.38 0.00 0.00 41.96 42.80 1bav s TYR 169 CO 0.87 -1.00 1.43 0.00 -1.52 0.00 0.00 175.55 175.33 1bav n ALA 170 N -0.38 1.79 -1.46 9.51 0.00 -1.26 -2.18 120.51 126.52 1bav n ALA 170 Ca -0.09 0.37 -0.16 0.00 0.00 0.00 0.00 53.44 53.56 1bav n ALA 170 Cb 0.62 -2.34 -0.07 0.00 0.00 0.00 0.00 19.45 17.66 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 1.34 -5.43 0.14 0.00 5.03 0.48 -4.86 115.26 111.96 1bav n ASN 171 Ca 0.06 0.39 0.12 0.00 0.87 0.00 0.00 54.58 56.03 1bav n ASN 171 Cb 0.36 -4.33 0.64 0.00 -1.02 0.00 0.00 39.78 35.43 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 0.04 -3.37 6.41 4.64 -1.67 -3.37 113.55 116.23 1bav h SER 172 Ca -0.32 -0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.44 1bav h SER 172 Cb 1.21 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 63.24 1bav h SER 172 CO 0.47 0.03 0.11 -1.61 -0.87 0.00 0.00 176.83 174.96 1bav s GLU 173 N -5.09 4.44 0.55 4.77 0.41 -1.26 -4.94 118.70 117.58 1bav s GLU 173 Ca -0.05 0.93 0.24 0.00 -0.41 0.00 0.00 54.97 55.68 1bav s GLU 173 Cb 0.18 -3.43 1.56 0.00 -1.78 0.00 0.00 34.13 30.66 1bav s GLU 173 CO 0.70 0.12 2.18 -0.24 -0.49 0.00 0.00 175.26 177.53 1bav h VAL 174 N 4.61 0.72 0.00 2.63 3.04 -1.91 0.19 116.25 125.52 1bav h VAL 174 Ca -0.42 -0.11 -0.07 0.00 -1.01 0.00 0.00 66.70 65.09 1bav h VAL 174 Cb 1.20 1.07 -0.01 0.00 -2.01 0.00 0.00 31.29 31.54 1bav h VAL 174 CO 0.74 0.03 -0.32 -0.33 -1.01 0.00 0.00 177.57 176.68 1bav h GLU 175 N 0.00 0.00 0.00 4.17 3.07 -1.88 -1.28 114.58 118.66 1bav h GLU 175 Ca -0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 1bav h GLU 175 Cb 0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1bav h GLU 175 CO 0.00 0.32 -0.64 0.28 -1.40 0.00 0.00 179.01 177.58 1bav h VAL 176 N 0.00 0.51 -1.00 3.13 2.07 -1.14 -3.36 116.25 116.46 1bav h VAL 176 Ca -0.00 -1.55 0.18 0.00 0.82 0.00 0.00 66.70 66.14 1bav h VAL 176 Cb 0.66 1.13 -0.10 0.00 -1.52 0.00 0.00 31.29 31.45 1bav h VAL 176 CO 0.04 0.17 0.62 0.50 0.02 0.00 0.00 177.57 178.92 1bav h LYS 177 N -1.00 0.77 -0.60 1.57 1.63 -0.78 -0.37 116.57 117.77 1bav h LYS 177 Ca -0.12 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.65 1bav h LYS 177 Cb 0.76 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 32.19 1bav h LYS 177 CO -0.07 0.51 0.40 0.77 -3.45 0.00 0.00 179.45 177.61 1bav h SER 178 N 0.79 0.67 -0.01 4.20 0.02 -1.41 0.37 113.55 118.18 1bav h SER 178 Ca 0.55 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.42 1bav h SER 178 Cb 0.83 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1bav h SER 178 CO -0.34 0.48 -0.24 0.40 -1.14 0.00 0.00 176.83 175.99 1bav h ILE 179 N 0.79 1.52 -0.56 3.27 2.04 -1.25 -2.73 117.51 120.59 1bav h ILE 179 Ca 0.23 -1.87 0.10 0.00 1.00 0.00 0.00 64.86 64.31 1bav h ILE 179 Cb -0.05 2.67 -0.08 0.00 -0.74 0.00 0.00 36.82 38.63 1bav h ILE 179 CO -0.05 0.52 0.14 0.58 0.00 0.00 0.00 178.15 179.33 1bav h VAL 180 N -0.45 0.71 -0.17 1.67 2.07 -0.80 -0.62 116.25 118.66 1bav h VAL 180 Ca -0.03 -0.10 -0.18 0.00 0.82 0.00 0.00 66.70 67.22 1bav h VAL 180 Cb 0.97 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1bav h VAL 180 CO 0.05 0.05 -0.62 0.44 0.02 0.00 0.00 177.57 177.52 1bav h ASP 181 N 0.29 0.67 0.32 0.57 3.32 -1.04 -2.21 116.42 118.34 1bav h ASP 181 Ca 0.29 -0.39 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 1bav h ASP 181 Cb 0.39 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1bav h ASP 181 CO -0.35 1.13 -0.15 0.15 -1.72 0.00 0.00 179.24 178.30 1bav h PHE 182 N 0.44 -0.40 -0.87 4.55 3.04 -1.10 -0.79 116.94 121.81 1bav h PHE 182 Ca -0.01 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 1bav h PHE 182 Cb 1.18 0.13 -0.04 0.00 2.56 0.00 0.00 35.95 39.79 1bav h PHE 182 CO 0.05 -0.09 0.49 0.28 -2.02 0.00 0.00 178.31 177.03 1bav h VAL 183 N -0.71 1.25 -0.27 1.41 2.07 -1.21 -0.07 116.25 118.71 1bav h VAL 183 Ca -0.04 -0.59 -0.12 0.00 0.82 0.00 0.00 66.70 66.77 1bav h VAL 183 Cb 0.49 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1bav h VAL 183 CO 0.07 0.27 -0.32 0.11 0.02 0.00 0.00 177.57 177.72 1bav h LYS 184 N 1.20 0.58 -0.49 1.57 1.57 -1.41 -1.04 116.57 118.55 1bav h LYS 184 Ca 0.31 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 1bav h LYS 184 Cb -0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1bav h LYS 184 CO -0.05 0.83 -0.17 -0.91 -0.57 0.00 0.00 179.45 178.58 1bav h ASN 185 N 0.50 1.00 0.20 0.86 2.35 -0.61 -3.06 115.58 116.81 1bav h ASN 185 Ca 0.06 -0.38 -0.01 0.00 -0.55 0.00 0.00 56.30 55.42 1bav h ASN 185 Cb 0.80 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1bav h ASN 185 CO 0.07 1.15 -0.10 -0.74 -1.65 0.00 0.00 177.43 176.15 1bav h HIS 186 N 0.84 -0.26 0.00 1.19 2.76 -0.70 -3.46 115.15 115.51 1bav h HIS 186 Ca 0.12 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1bav h HIS 186 Cb 0.74 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.79 1bav h HIS 186 CO 0.05 -0.16 0.00 0.41 -1.30 0.00 0.00 177.93 176.93 1bav n GLY 187 N -1.21 2.24 2.43 5.26 0.00 -0.42 -4.84 105.19 108.64 1bav n GLY 187 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 4.39 -4.72 1.61 5.15 -1.26 -5.04 115.26 115.39 1bav n ASN 188 Ca 0.00 -3.60 -0.39 0.00 -0.60 0.00 0.00 54.58 49.99 1bav n ASN 188 Cb 0.00 -0.45 -0.05 0.00 -0.53 0.00 0.00 39.78 38.75 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 -3.52 3.56 -0.07 1.20 0.08 -1.26 -1.09 117.98 116.88 1bav s PHE 189 Ca 0.46 1.10 0.18 0.00 0.12 0.00 0.00 56.93 58.79 1bav s PHE 189 Cb 0.41 -2.69 -0.27 0.00 -0.57 0.00 0.00 43.02 39.89 1bav s PHE 189 CO -0.13 0.13 0.32 1.63 -0.10 0.00 0.00 175.22 177.07 1bav n LYS 190 N 3.68 0.73 -3.72 0.44 4.76 0.10 -4.61 118.16 119.55 1bav n LYS 190 Ca -0.04 -0.13 -0.14 0.00 -2.87 0.00 0.00 58.31 55.14 1bav n LYS 190 Cb 0.51 -1.45 -0.09 0.00 -1.84 0.00 0.00 35.03 32.16 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 -3.07 -1.06 -0.11 7.82 0.00 -1.19 -3.25 121.76 120.90 1bav s ALA 191 Ca -0.07 1.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 1bav s ALA 191 Cb 0.10 -0.49 0.04 0.00 0.00 0.00 0.00 23.12 22.77 1bav s ALA 191 CO 0.77 -0.23 0.00 0.12 0.00 0.00 0.00 175.76 176.42 1bav s PHE 192 N -0.21 0.86 -0.12 0.00 2.19 -0.31 -0.15 117.98 120.24 1bav s PHE 192 Ca -0.04 -0.42 0.01 0.00 0.33 0.00 0.00 56.93 56.82 1bav s PHE 192 Cb -0.03 -0.91 0.02 0.00 -1.31 0.00 0.00 43.02 40.78 1bav s PHE 192 CO 0.02 -0.42 -0.15 -0.51 1.83 0.00 0.00 175.22 175.99 1bav s LEU 193 N 1.91 1.70 -0.12 6.12 1.02 0.74 -1.99 118.68 128.06 1bav s LEU 193 Ca 0.03 -0.45 -0.01 0.00 0.02 0.00 0.00 54.13 53.73 1bav s LEU 193 Cb -0.13 -1.12 -0.02 0.00 0.02 0.00 0.00 46.19 44.93 1bav s LEU 193 CO -0.06 -0.01 -0.09 -0.44 0.02 0.00 0.00 176.35 175.76 1bav s SER 194 N 1.19 4.38 -0.06 2.29 0.01 -0.95 -1.30 113.70 119.26 1bav s SER 194 Ca -0.02 -0.20 -0.01 0.00 1.31 0.00 0.00 55.95 57.04 1bav s SER 194 Cb -0.14 -1.52 -0.03 0.00 0.21 0.00 0.00 66.02 64.53 1bav s SER 194 CO -0.05 0.22 0.00 -0.63 0.41 0.00 0.00 173.24 173.19 1bav s ILE 195 N 0.05 4.27 0.31 1.44 -1.09 -0.08 -2.14 121.20 123.96 1bav s ILE 195 Ca -0.03 -0.37 0.00 0.00 -2.23 0.00 0.00 60.65 58.03 1bav s ILE 195 Cb -0.14 -2.83 -0.00 0.00 -1.58 0.00 0.00 42.46 37.91 1bav s ILE 195 CO 0.04 0.53 0.40 1.41 -1.23 0.00 0.00 174.94 176.08 1bav n HIS 196 N 1.87 -1.20 -3.90 3.97 8.25 0.13 -4.02 115.22 120.31 1bav n HIS 196 Ca -0.17 -2.21 -0.08 0.00 -0.26 0.00 0.00 57.72 54.99 1bav n HIS 196 Cb 0.53 0.44 -0.08 0.00 1.12 0.00 0.00 29.99 32.01 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 -2.99 0.19 0.18 0.41 1.04 -1.26 -0.38 113.70 110.90 1bav s SER 197 Ca 0.28 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 56.01 1bav s SER 197 Cb -0.00 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 1bav s SER 197 CO 0.20 -0.70 0.06 0.00 0.98 0.00 0.00 173.24 173.78 1bav n TYR 198 N -0.01 0.10 0.00 5.02 4.11 -1.26 -4.85 117.16 120.27 1bav n TYR 198 Ca -0.15 -1.13 0.00 0.00 -0.00 0.00 0.00 57.90 56.62 1bav n TYR 198 Cb 0.62 -0.02 0.00 0.00 -0.00 0.00 0.00 39.34 39.95 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 -1.76 0.00 -3.51 9.48 3.41 0.02 -4.78 113.62 116.48 1bav n SER 199 Ca -0.03 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.42 1bav n SER 199 Cb 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 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 0.00 -1.43 -4.21 4.33 6.02 -0.85 -4.86 117.38 116.38 1bav n GLN 200 Ca 0.00 1.02 -0.16 0.00 -0.01 0.00 0.00 57.00 57.84 1bav n GLN 200 Cb 0.00 -3.68 -0.14 0.00 1.02 0.00 0.00 30.24 27.44 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 -4.69 2.10 -0.23 1.08 1.43 -0.56 -2.38 118.68 115.41 1bav s LEU 201 Ca 0.03 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1bav s LEU 201 Cb -0.01 -0.33 0.02 0.00 0.03 0.00 0.00 46.19 45.89 1bav s LEU 201 CO 0.84 0.00 -0.07 -0.22 0.23 0.00 0.00 176.35 177.13 1bav s LEU 202 N -0.65 3.01 0.13 1.79 0.20 -0.29 -0.96 118.68 121.92 1bav s LEU 202 Ca -0.01 -0.73 0.11 0.00 0.69 0.00 0.00 54.13 54.19 1bav s LEU 202 Cb -0.05 -1.66 -0.04 0.00 -0.43 0.00 0.00 46.19 44.00 1bav s LEU 202 CO 0.00 -0.09 -0.27 -0.76 -0.29 0.00 0.00 176.35 174.94 1bav s LEU 203 N 1.36 2.32 0.28 -0.68 2.01 -0.42 -2.30 118.68 121.25 1bav s LEU 203 Ca 0.02 -0.75 0.02 0.00 0.01 0.00 0.00 54.13 53.43 1bav s LEU 203 Cb -0.16 -1.21 -0.05 0.00 0.01 0.00 0.00 46.19 44.78 1bav s LEU 203 CO -0.05 0.18 0.10 -0.72 1.01 0.00 0.00 176.35 176.87 1bav s TYR 204 N -1.07 1.60 0.84 0.29 -0.85 -1.00 -1.15 117.35 116.00 1bav s TYR 204 Ca 0.14 -1.18 -0.11 0.00 -0.52 0.00 0.00 57.07 55.40 1bav s TYR 204 Cb -0.10 -0.94 0.10 0.00 0.38 0.00 0.00 41.96 41.40 1bav s TYR 204 CO 0.06 -0.32 1.13 -2.14 -1.52 0.00 0.00 175.55 172.76 1bav s PRO 205 N -3.99 1.62 0.22 -3.49 0.02 -1.26 -1.49 135.00 126.64 1bav s PRO 205 Ca 0.37 1.41 0.07 0.00 0.02 0.00 0.00 61.00 62.88 1bav s PRO 205 Cb 0.07 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.75 1bav s PRO 205 CO 0.14 -2.16 0.09 0.71 -0.33 0.00 0.00 177.00 175.46 1bav s TYR 206 N -2.70 2.96 -0.14 6.54 2.02 -1.26 -4.54 117.35 120.23 1bav s TYR 206 Ca 0.65 -0.12 0.12 0.00 -0.37 0.00 0.00 57.07 57.35 1bav s TYR 206 Cb -0.21 -1.37 -0.17 0.00 -0.40 0.00 0.00 41.96 39.81 1bav s TYR 206 CO 0.56 0.54 0.04 0.41 -1.57 0.00 0.00 175.55 175.53 1bav n GLY 207 N -0.67 -0.67 0.10 0.71 0.00 -1.26 -1.76 105.19 101.64 1bav n GLY 207 Ca -0.08 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.51 0.00 -3.87 1.61 0.18 -0.68 -0.98 117.16 110.89 1bav n TYR 208 Ca -0.22 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.47 1bav n TYR 208 Cb 0.94 -0.20 -0.08 0.00 -0.38 0.00 0.00 39.34 39.62 1bav n TYR 208 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 1bav s THR 209 N -2.79 0.14 -1.53 -3.48 -1.32 -1.26 -4.93 115.64 100.47 1bav s THR 209 Ca 0.17 -1.15 0.29 0.00 -1.21 0.00 0.00 61.69 59.79 1bav s THR 209 Cb 0.18 -1.22 0.45 0.00 -1.51 0.00 0.00 72.50 70.40 1bav s THR 209 CO 0.62 -0.64 1.90 0.35 -2.21 0.00 0.00 174.62 174.64 1bav n THR 210 N 0.18 0.00 -2.04 5.08 -2.24 -1.26 -4.68 114.28 109.31 1bav n THR 210 Ca -0.16 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 1bav n THR 210 Cb 0.61 -0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 1bav n THR 210 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1bav s GLN 211 N -2.55 4.27 0.27 -0.78 0.74 -1.26 -4.99 119.66 115.36 1bav s GLN 211 Ca 0.27 2.24 -0.29 0.00 0.05 0.00 0.00 55.36 57.63 1bav s GLN 211 Cb 0.20 -3.19 -0.09 0.00 1.10 0.00 0.00 33.01 31.03 1bav s GLN 211 CO 0.48 -0.51 1.02 -1.12 -0.55 0.00 0.00 175.29 174.62 1bav s SER 212 N 1.02 7.41 0.54 6.67 0.01 -1.26 -4.39 113.70 123.69 1bav s SER 212 Ca 0.66 2.11 -0.19 0.00 1.31 0.00 0.00 55.95 59.84 1bav s SER 212 Cb -0.41 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.15 1bav s SER 212 CO 0.32 -0.03 1.11 0.27 0.41 0.00 0.00 173.24 175.32 1bav s ILE 213 N -1.21 3.32 0.57 1.44 -4.36 -1.26 -4.91 121.20 114.77 1bav s ILE 213 Ca 0.44 0.80 0.25 0.00 -0.26 0.00 0.00 60.65 61.88 1bav s ILE 213 Cb -0.28 -3.32 0.33 0.00 1.25 0.00 0.00 42.46 40.44 1bav s ILE 213 CO 0.36 -0.20 2.22 -0.65 0.24 0.00 0.00 174.94 176.91 1bav h PRO 214 N 1.18 0.00 -0.52 0.37 0.11 -1.99 -1.28 132.00 129.88 1bav h PRO 214 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1bav h PRO 214 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1bav h PRO 214 CO 0.57 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.11 1bav n ASP 215 N -4.08 2.45 -0.29 -2.05 8.00 -1.26 -4.59 116.55 114.74 1bav n ASP 215 Ca -0.03 -2.16 0.09 0.00 0.71 0.00 0.00 54.79 53.39 1bav n ASP 215 Cb 0.08 -0.37 0.21 0.00 -0.02 0.00 0.00 41.12 41.03 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 2.09 0.10 -0.15 -1.24 3.11 -1.60 -0.88 116.57 118.01 1bav h LYS 216 Ca 0.00 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1bav h LYS 216 Cb 0.75 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.95 1bav h LYS 216 CO 0.09 0.07 0.09 1.15 -2.81 0.00 0.00 179.45 178.03 1bav h THR 217 N 0.10 1.07 -0.20 1.00 2.02 -1.85 0.10 112.91 115.15 1bav h THR 217 Ca 0.48 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.45 1bav h THR 217 Cb 0.90 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1bav h THR 217 CO -0.72 0.06 -0.03 -0.08 0.37 0.00 0.00 175.52 175.12 1bav h GLU 218 N 0.17 0.38 -0.33 6.66 4.81 -1.65 -1.84 114.58 122.78 1bav h GLU 218 Ca 0.05 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 1bav h GLU 218 Cb 0.03 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1bav h GLU 218 CO -0.01 0.61 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.71 1bav h LEU 219 N 0.11 0.55 -0.60 1.64 4.07 -1.13 0.48 115.31 120.43 1bav h LEU 219 Ca 0.05 -0.14 -0.13 0.00 0.08 0.00 0.00 57.88 57.74 1bav h LEU 219 Cb 0.47 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 1bav h LEU 219 CO 0.02 0.69 -0.30 -1.13 -1.08 0.00 0.00 178.44 176.64 1bav h ASN 220 N 0.53 0.83 0.01 -0.43 -0.73 -0.75 -0.99 115.58 114.03 1bav h ASN 220 Ca 0.10 -0.33 -0.15 0.00 1.87 0.00 0.00 56.30 57.79 1bav h ASN 220 Cb 0.49 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.85 1bav h ASN 220 CO 0.03 1.06 -0.48 -0.61 -0.37 0.00 0.00 177.43 177.06 1bav h GLN 221 N 0.68 0.54 -0.35 6.67 5.75 -0.91 -1.80 115.11 125.69 1bav h GLN 221 Ca 0.08 -0.31 -0.15 0.00 -0.15 0.00 0.00 58.65 58.12 1bav h GLN 221 Cb 0.83 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 1bav h GLN 221 CO 0.07 0.91 -0.35 0.28 -2.65 0.00 0.00 178.83 177.09 1bav h VAL 222 N 0.43 1.28 -0.56 2.39 2.07 -0.69 -2.87 116.25 118.31 1bav h VAL 222 Ca 0.02 -1.52 0.01 0.00 0.82 0.00 0.00 66.70 66.03 1bav h VAL 222 Cb 1.00 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 1bav h VAL 222 CO 0.09 0.50 0.37 0.00 0.02 0.00 0.00 177.57 178.55 1bav h ALA 223 N 0.75 0.71 -0.32 1.67 0.00 -1.01 -1.14 119.26 119.91 1bav h ALA 223 Ca 0.06 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1bav h ALA 223 Cb 0.94 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1bav h ALA 223 CO 0.09 0.15 -0.07 -0.22 0.00 0.00 0.00 179.25 179.19 1bav h LYS 224 N 0.76 0.01 -0.32 0.00 3.64 -1.24 0.16 116.57 119.58 1bav h LYS 224 Ca 0.20 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1bav h LYS 224 Cb -0.09 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1bav h LYS 224 CO -0.04 0.00 -0.11 0.77 -2.27 0.00 0.00 179.45 177.80 1bav h SER 225 N 0.01 0.53 -0.28 4.20 0.02 -1.26 0.51 113.55 117.27 1bav h SER 225 Ca 0.16 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 1bav h SER 225 Cb 0.24 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1bav h SER 225 CO -0.33 0.68 -0.04 0.00 -1.14 0.00 0.00 176.83 176.00 1bav h ALA 226 N 1.38 0.39 -0.77 3.77 0.00 -0.46 0.19 119.26 123.76 1bav h ALA 226 Ca 0.09 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1bav h ALA 226 Cb 0.50 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1bav h ALA 226 CO 0.03 0.17 0.27 0.28 0.00 0.00 0.00 179.25 180.00 1bav h VAL 227 N 0.30 1.26 -0.21 0.00 2.07 -0.44 -0.31 116.25 118.91 1bav h VAL 227 Ca 0.08 -0.87 -0.16 0.00 0.82 0.00 0.00 66.70 66.57 1bav h VAL 227 Cb 0.50 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1bav h VAL 227 CO 0.02 0.35 -0.52 0.00 0.02 0.00 0.00 177.57 177.44 1bav h ALA 228 N 1.16 0.70 0.61 1.67 0.00 -0.69 -2.48 119.26 120.22 1bav h ALA 228 Ca 0.25 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1bav h ALA 228 Cb 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1bav h ALA 228 CO -0.01 0.68 -0.30 0.00 0.00 0.00 0.00 179.25 179.61 1bav h ALA 229 N 0.96 -0.83 -0.22 0.00 0.00 -0.12 -2.95 119.26 116.09 1bav h ALA 229 Ca 0.02 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1bav h ALA 229 Cb 1.06 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1bav h ALA 229 CO 0.10 -0.97 -0.10 1.25 0.00 0.00 0.00 179.25 179.53 1bav h LEU 230 N -0.83 -0.35 -1.40 0.00 6.46 -1.03 -2.52 115.31 115.64 1bav h LEU 230 Ca -0.08 0.09 0.14 0.00 -0.12 0.00 0.00 57.88 57.91 1bav h LEU 230 Cb 0.64 0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 40.71 1bav h LEU 230 CO 0.13 -0.14 0.55 0.50 -0.62 0.00 0.00 178.44 178.86 1bav h LYS 231 N -0.07 0.58 -0.73 1.25 3.64 -1.43 -3.08 116.57 116.71 1bav h LYS 231 Ca 0.12 -0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.68 1bav h LYS 231 Cb 0.25 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1bav h LYS 231 CO -0.27 0.38 0.67 0.66 -2.27 0.00 0.00 179.45 178.62 1bav h SER 232 N 0.60 0.00 0.18 4.20 4.64 -1.27 0.56 113.55 122.46 1bav h SER 232 Ca 0.42 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.73 1bav h SER 232 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1bav h SER 232 CO -0.17 0.00 -0.09 -0.07 -0.87 0.00 0.00 176.83 175.63 1bav h LEU 233 N 0.00 -0.21 -1.29 5.97 3.38 -1.73 -3.41 115.31 118.02 1bav h LEU 233 Ca 0.35 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1bav h LEU 233 Cb 1.69 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.49 1bav h LEU 233 CO -0.00 0.28 0.00 -1.22 0.09 0.00 0.00 178.44 177.59 1bav n TYR 234 N -4.94 0.00 -0.78 1.13 4.01 -1.13 -5.00 117.16 110.45 1bav n TYR 234 Ca -0.04 -0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1bav n TYR 234 Cb 0.13 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 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 -0.07 0.58 3.66 2.72 0.00 0.19 -5.01 105.19 107.27 1bav n GLY 235 Ca 0.00 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 3.71 -0.09 2.61 2.01 -1.25 -4.95 115.64 115.69 1bav s THR 236 Ca 0.00 0.85 -0.17 0.00 0.31 0.00 0.00 61.69 62.68 1bav s THR 236 Cb 0.00 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 1bav s THR 236 CO 0.00 -0.11 0.45 -0.44 -0.69 0.00 0.00 174.62 173.83 1bav s SER 237 N 3.27 6.70 0.08 3.53 0.01 -1.26 -3.77 113.70 122.25 1bav s SER 237 Ca 0.70 0.83 0.09 0.00 1.31 0.00 0.00 55.95 58.88 1bav s SER 237 Cb -0.30 -2.27 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 1bav s SER 237 CO 0.27 0.08 -0.24 -0.31 0.41 0.00 0.00 173.24 173.46 1bav s TYR 238 N 0.21 2.05 0.11 2.43 1.51 -1.26 -4.89 117.35 117.51 1bav s TYR 238 Ca 0.25 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.95 1bav s TYR 238 Cb -0.15 -1.18 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 1bav s TYR 238 CO 0.11 0.18 0.08 0.15 -1.11 0.00 0.00 175.55 174.95 1bav s LYS 239 N -1.54 2.82 0.08 -0.62 3.01 -1.00 -4.96 119.74 117.52 1bav s LYS 239 Ca 0.10 -0.77 0.00 0.00 -1.01 0.00 0.00 55.97 54.29 1bav s LYS 239 Cb -0.10 -2.66 -0.04 0.00 -1.01 0.00 0.00 37.83 34.02 1bav s LYS 239 CO 0.03 0.54 -0.04 1.52 0.51 0.00 0.00 175.35 177.91 1bav s TYR 240 N -1.48 0.70 -5.00 3.18 1.13 -1.26 -1.13 117.35 113.49 1bav s TYR 240 Ca 0.29 -1.01 0.00 0.00 -1.41 0.00 0.00 57.07 54.94 1bav s TYR 240 Cb -0.11 -0.45 0.00 0.00 -1.10 0.00 0.00 41.96 40.29 1bav s TYR 240 CO 0.22 -0.28 0.00 0.41 -2.51 0.00 0.00 175.55 173.39 1bav n GLY 241 N 0.03 -1.40 3.83 5.49 0.00 -0.97 -4.97 105.19 107.19 1bav n GLY 241 Ca -0.13 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 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 -3.77 5.54 0.13 1.61 1.04 -1.26 -2.37 113.70 114.61 1bav s SER 242 Ca 0.00 1.59 -0.19 0.00 0.48 0.00 0.00 55.95 57.83 1bav s SER 242 Cb 0.00 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.58 1bav s SER 242 CO 0.00 -1.34 1.78 0.40 0.98 0.00 0.00 173.24 175.06 1bav h ILE 243 N -0.62 1.05 -0.08 -1.02 2.04 -1.26 -0.00 117.51 117.62 1bav h ILE 243 Ca -0.44 -0.11 -0.10 0.00 1.00 0.00 0.00 64.86 65.21 1bav h ILE 243 Cb 1.21 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1bav h ILE 243 CO 0.58 0.06 -0.39 -0.29 0.00 0.00 0.00 178.15 178.11 1bav h ILE 244 N 0.32 1.30 0.07 -0.67 2.10 -1.44 -0.74 117.51 118.45 1bav h ILE 244 Ca 0.09 -1.43 -0.27 0.00 1.08 0.00 0.00 64.86 64.33 1bav h ILE 244 Cb -0.03 1.67 -0.02 0.00 -1.09 0.00 0.00 36.82 37.35 1bav h ILE 244 CO -0.03 0.42 -1.36 0.74 -1.08 0.00 0.00 178.15 176.85 1bav h THR 245 N 0.15 1.33 -0.00 2.19 2.02 -1.79 -3.39 112.91 113.41 1bav h THR 245 Ca 0.01 -3.01 0.00 0.00 0.77 0.00 0.00 66.41 64.19 1bav h THR 245 Cb 0.76 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.93 1bav h THR 245 CO 0.06 0.83 -0.45 0.35 0.37 0.00 0.00 175.52 176.68 1bav n THR 246 N -3.37 0.00 0.00 3.16 -2.24 -0.03 -4.86 114.28 106.94 1bav n THR 246 Ca -0.10 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1bav n THR 246 Cb 1.01 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.26 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 -1.10 0.00 -3.59 2.28 5.41 -0.33 -5.05 119.36 116.98 1bav n ILE 247 Ca 0.02 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.79 1bav n ILE 247 Cb 0.17 -0.85 -0.01 0.00 -0.71 0.00 0.00 39.64 38.24 1bav n ILE 247 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1bav s TYR 248 N -0.77 -0.02 0.40 1.39 -0.85 -0.92 -5.03 117.35 111.56 1bav s TYR 248 Ca 0.00 -0.00 -0.26 0.00 -0.52 0.00 0.00 57.07 56.29 1bav s TYR 248 Cb 0.00 0.51 -0.09 0.00 0.38 0.00 0.00 41.96 42.76 1bav s TYR 248 CO 0.00 -0.06 1.30 -1.14 -1.52 0.00 0.00 175.55 174.13 1bav s GLN 249 N -2.10 3.97 -0.25 -3.49 0.74 -1.26 -3.79 119.66 113.48 1bav s GLN 249 Ca 0.14 2.15 -0.13 0.00 0.05 0.00 0.00 55.36 57.56 1bav s GLN 249 Cb 0.05 -2.76 0.08 0.00 1.10 0.00 0.00 33.01 31.48 1bav s GLN 249 CO -0.05 -0.48 0.61 0.00 -0.55 0.00 0.00 175.29 174.81 1bav s ALA 250 N -1.26 -1.68 0.15 1.58 0.00 -0.16 -4.57 121.76 115.82 1bav s ALA 250 Ca 0.57 2.16 0.08 0.00 0.00 0.00 0.00 51.96 54.78 1bav s ALA 250 Cb -0.38 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 1bav s ALA 250 CO 0.49 -0.47 -0.11 -1.54 0.00 0.00 0.00 175.76 174.13 1bav s SER 251 N 1.85 4.25 -0.40 0.00 1.04 -1.25 -1.69 113.70 117.49 1bav s SER 251 Ca -0.09 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1bav s SER 251 Cb -0.07 -0.73 0.00 0.00 0.10 0.00 0.00 66.02 65.31 1bav s SER 251 CO -0.18 0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.79 1bav n GLY 252 N 0.35 0.41 3.81 7.32 0.00 -0.20 -4.43 105.19 112.45 1bav n GLY 252 Ca -0.12 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.87 2.61 0.24 -0.02 0.00 -1.21 -0.64 107.32 105.43 1bav s GLY 253 Ca 0.00 0.28 -0.07 0.00 0.00 0.00 0.00 44.72 44.93 1bav s GLY 253 CO 0.00 0.63 1.90 1.48 0.00 0.00 0.00 173.10 177.11 1bav h SER 254 N 3.05 1.02 0.12 1.64 4.64 -1.89 -2.59 113.55 119.53 1bav h SER 254 Ca -0.48 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 60.72 1bav h SER 254 Cb 1.19 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1bav h SER 254 CO 0.65 0.72 -0.37 0.40 -0.87 0.00 0.00 176.83 177.35 1bav h ILE 255 N 1.19 1.30 -0.36 0.95 5.03 -1.93 0.80 117.51 124.49 1bav h ILE 255 Ca 0.35 -1.46 -0.10 0.00 -0.12 0.00 0.00 64.86 63.53 1bav h ILE 255 Cb -0.08 1.58 -0.01 0.00 -3.03 0.00 0.00 36.82 35.29 1bav h ILE 255 CO -0.09 0.45 -0.16 0.44 -0.68 0.00 0.00 178.15 178.10 1bav h ASP 256 N 0.29 0.76 -0.19 1.72 5.19 -1.88 -0.46 116.42 121.86 1bav h ASP 256 Ca 0.03 -0.40 -0.01 0.00 -0.62 0.00 0.00 57.03 56.03 1bav h ASP 256 Cb 0.79 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 1bav h ASP 256 CO 0.06 0.99 0.08 -0.25 -3.12 0.00 0.00 179.24 177.01 1bav h TRP 257 N 0.53 0.28 0.01 4.55 7.01 -1.21 -1.51 115.95 125.61 1bav h TRP 257 Ca 0.08 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.08 1bav h TRP 257 Cb 0.70 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.66 1bav h TRP 257 CO 0.06 0.32 -0.08 0.66 -2.79 0.00 0.00 178.44 176.60 1bav h SER 258 N 0.16 -0.22 -0.86 2.65 4.64 -0.61 -2.02 113.55 117.29 1bav h SER 258 Ca 0.06 0.03 0.05 0.00 -0.47 0.00 0.00 61.79 61.47 1bav h SER 258 Cb 0.15 0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 62.28 1bav h SER 258 CO -0.01 -0.12 0.54 0.22 -0.87 0.00 0.00 176.83 176.60 1bav h TYR 259 N -0.14 1.00 0.00 4.77 3.20 -1.03 0.12 116.97 124.89 1bav h TYR 259 Ca 0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1bav h TYR 259 Cb 0.18 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.12 1bav h TYR 259 CO -0.14 0.54 0.00 -0.91 -1.64 0.00 0.00 178.16 176.01 1bav h ASN 260 N 1.01 0.00 0.73 -2.11 2.35 -0.75 0.15 115.58 116.96 1bav h ASN 260 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1bav h ASN 260 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1bav h ASN 260 CO -0.15 0.00 -0.13 0.00 -1.65 0.00 0.00 177.43 175.50 1bav n GLN 261 N -2.36 0.17 0.00 0.81 1.13 0.01 -4.92 117.38 112.22 1bav n GLN 261 Ca 0.01 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 1bav n GLN 261 Cb 0.18 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.03 1bav n GLN 261 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bav n GLY 262 N 1.44 0.58 3.55 1.08 0.00 0.54 -5.02 105.19 107.36 1bav n GLY 262 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 3.81 0.13 -0.61 1.01 -1.07 -4.88 121.20 117.60 1bav s ILE 263 Ca 0.00 -0.17 -0.27 0.00 0.00 0.00 0.00 60.65 60.21 1bav s ILE 263 Cb 0.00 -4.98 -0.04 0.00 0.01 0.00 0.00 42.46 37.46 1bav s ILE 263 CO 0.00 -1.89 1.61 0.50 0.00 0.00 0.00 174.94 175.16 1bav h LYS 264 N 9.96 -0.42 -5.58 2.79 3.64 -1.86 -3.33 116.57 121.77 1bav h LYS 264 Ca -0.04 0.03 -0.69 0.00 -1.27 0.00 0.00 60.65 58.68 1bav h LYS 264 Cb 1.03 0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.86 1bav h LYS 264 CO 1.35 -0.28 2.22 0.66 -2.27 0.00 0.00 179.45 181.13 1bav n TYR 265 N -5.42 4.58 -3.85 1.91 4.01 -1.20 -4.90 117.16 112.29 1bav n TYR 265 Ca -0.04 -2.90 -0.36 0.00 -0.16 0.00 0.00 57.90 54.45 1bav n TYR 265 Cb 0.33 -2.59 -0.13 0.00 -0.31 0.00 0.00 39.34 36.64 1bav n TYR 265 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1bav s SER 266 N 3.99 4.74 0.06 7.72 0.01 -1.25 -1.16 113.70 127.81 1bav s SER 266 Ca 0.52 -0.75 -0.00 0.00 1.31 0.00 0.00 55.95 57.03 1bav s SER 266 Cb 0.04 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.45 1bav s SER 266 CO 0.06 -0.15 -0.04 -0.36 0.41 0.00 0.00 173.24 173.16 1bav s PHE 267 N 1.43 0.56 -0.03 2.43 0.08 -0.84 -4.28 117.98 117.33 1bav s PHE 267 Ca 0.02 -0.99 0.03 0.00 0.12 0.00 0.00 56.93 56.10 1bav s PHE 267 Cb -0.17 -0.39 -0.00 0.00 -0.57 0.00 0.00 43.02 41.89 1bav s PHE 267 CO -0.01 -0.32 -0.12 0.99 -0.10 0.00 0.00 175.22 175.66 1bav s THR 268 N -3.64 0.98 -0.18 0.64 2.01 -0.30 -2.24 115.64 112.91 1bav s THR 268 Ca 0.06 -0.48 -0.06 0.00 0.31 0.00 0.00 61.69 61.52 1bav s THR 268 Cb 0.06 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 1bav s THR 268 CO -0.08 0.29 0.02 -0.36 -0.69 0.00 0.00 174.62 173.80 1bav s PHE 269 N 0.09 3.13 -0.39 4.92 0.40 -0.91 -1.30 117.98 123.92 1bav s PHE 269 Ca -0.02 -0.16 -0.10 0.00 -0.60 0.00 0.00 56.93 56.05 1bav s PHE 269 Cb -0.09 -2.05 0.05 0.00 0.51 0.00 0.00 43.02 41.43 1bav s PHE 269 CO 0.01 -0.00 0.22 -1.21 0.70 0.00 0.00 175.22 174.94 1bav s GLU 270 N 0.55 2.75 0.00 0.44 0.41 -0.13 0.17 118.70 122.89 1bav s GLU 270 Ca 0.01 -1.21 0.00 0.00 -0.41 0.00 0.00 54.97 53.35 1bav s GLU 270 Cb -0.13 -3.74 0.00 0.00 -1.78 0.00 0.00 34.13 28.47 1bav s GLU 270 CO 0.02 -0.79 0.00 1.28 -0.49 0.00 0.00 175.26 175.28 1bav n LEU 271 N 4.97 0.00 -4.75 1.80 4.32 0.49 -1.50 117.00 122.34 1bav n LEU 271 Ca -0.11 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.55 1bav n LEU 271 Cb 0.45 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 42.33 1bav n LEU 271 CO 0.37 -0.43 0.74 -0.13 -1.22 0.00 0.00 177.39 176.72 1bav s ARG 272 N -1.20 2.31 0.00 3.23 0.52 -1.26 -2.01 118.95 120.54 1bav s ARG 272 Ca 0.00 1.45 0.00 0.00 -0.52 0.00 0.00 55.73 56.66 1bav s ARG 272 Cb 0.00 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.59 1bav s ARG 272 CO 0.00 -1.64 0.00 -0.40 0.02 0.00 0.00 175.30 173.28 1bav n ASP 273 N -2.95 0.00 -0.75 0.23 5.68 -1.26 -4.68 116.55 112.82 1bav n ASP 273 Ca 0.11 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.45 1bav n ASP 273 Cb 0.52 0.00 0.21 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 2.26 0.00 2.12 -2.24 -1.26 -0.79 114.28 114.37 1bav n THR 274 Ca 0.00 -2.32 0.00 0.00 -2.27 0.00 0.00 64.05 59.46 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 -0.95 1.48 0.13 3.38 0.00 -1.26 -4.91 105.19 103.05 1bav n GLY 275 Ca 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.18 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 0.15 0.00 1.61 1.12 -2.02 -3.34 114.38 111.91 1bav h ARG 276 Ca 0.00 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.84 1bav h ARG 276 Cb 0.00 -0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 29.92 1bav h ARG 276 CO 0.00 0.10 -1.12 0.66 -3.11 0.00 0.00 179.97 176.51 1bav n TYR 277 N -5.09 0.00 0.00 2.20 4.01 -1.26 -5.09 117.16 111.93 1bav n TYR 277 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1bav n TYR 277 Cb 0.13 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 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 2.73 4.22 0.23 2.72 0.00 -1.26 -1.75 105.19 112.08 1bav n GLY 278 Ca -0.02 0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.48 1.61 0.04 -1.92 -3.28 116.94 111.92 1bav h PHE 279 Ca 0.00 0.00 -0.65 0.00 2.80 0.00 0.00 57.97 60.12 1bav h PHE 279 Cb 0.00 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 37.94 1bav h PHE 279 CO 0.00 0.21 0.95 1.28 -0.60 0.00 0.00 178.31 180.16 1bav n LEU 280 N -3.43 7.11 -4.73 1.54 4.32 -0.72 -4.54 117.00 116.55 1bav n LEU 280 Ca -0.00 -4.55 -0.42 0.00 -0.02 0.00 0.00 56.01 51.02 1bav n LEU 280 Cb 0.40 -1.20 -0.03 0.00 -1.62 0.00 0.00 43.42 40.98 1bav n LEU 280 CO 0.33 1.82 1.13 -0.22 -1.22 0.00 0.00 177.39 179.23 1bav s LEU 281 N -2.95 4.38 0.53 2.23 0.20 -1.24 -4.84 118.68 116.99 1bav s LEU 281 Ca 0.54 2.59 -0.23 0.00 0.69 0.00 0.00 54.13 57.73 1bav s LEU 281 Cb 0.35 -3.61 -0.06 0.00 -0.43 0.00 0.00 46.19 42.45 1bav s LEU 281 CO -0.25 -0.72 1.39 -2.84 -0.29 0.00 0.00 176.35 173.63 1bav s PRO 282 N 0.28 3.24 0.55 0.98 0.02 -1.26 -4.88 135.00 133.93 1bav s PRO 282 Ca 0.63 2.30 0.22 0.00 0.02 0.00 0.00 61.00 64.18 1bav s PRO 282 Cb -0.41 -2.35 1.46 0.00 0.02 0.00 0.00 34.50 33.22 1bav s PRO 282 CO 0.38 -1.13 2.13 0.00 -0.33 0.00 0.00 177.00 178.04 1bav h ALA 283 N 1.64 1.99 0.00 -1.55 0.00 -1.92 -0.44 119.26 118.98 1bav h ALA 283 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1bav h ALA 283 Cb 1.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1bav h ALA 283 CO 0.58 -0.19 0.00 -1.13 0.00 0.00 0.00 179.25 178.51 1bav n SER 284 N -4.26 0.46 -0.91 0.00 3.41 -1.26 -1.62 113.62 109.44 1bav n SER 284 Ca 0.00 0.68 0.10 0.00 -0.26 0.00 0.00 58.87 59.39 1bav n SER 284 Cb 0.24 -0.75 0.14 0.00 -0.26 0.00 0.00 64.21 63.58 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 -2.08 2.09 0.30 4.33 6.02 -0.17 -4.60 117.38 123.26 1bav n GLN 285 Ca 0.00 -1.93 -0.16 0.00 -0.01 0.00 0.00 57.00 54.89 1bav n GLN 285 Cb 0.09 -1.42 -0.08 0.00 1.02 0.00 0.00 30.24 29.85 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 3.92 0.46 -0.06 5.09 2.04 -1.42 -1.31 117.51 126.23 1bav h ILE 286 Ca 0.00 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1bav h ILE 286 Cb 0.87 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1bav h ILE 286 CO 0.00 0.02 0.02 0.40 0.00 0.00 0.00 178.15 178.59 1bav h ILE 287 N -0.79 1.17 -0.39 -0.67 2.04 -1.81 -0.88 117.51 116.18 1bav h ILE 287 Ca -0.07 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 1bav h ILE 287 Cb 0.58 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1bav h ILE 287 CO 0.12 0.14 0.22 -0.65 0.00 0.00 0.00 178.15 177.98 1bav h PRO 288 N -0.10 0.52 0.21 2.37 0.11 -1.82 0.27 132.00 133.57 1bav h PRO 288 Ca 0.02 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1bav h PRO 288 Cb 0.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.22 1bav h PRO 288 CO -0.00 0.38 -0.10 1.15 -0.21 0.00 0.00 178.00 179.22 1bav h THR 289 N 0.53 0.88 -0.80 -1.15 2.02 -1.12 -2.68 112.91 110.59 1bav h THR 289 Ca 0.14 -0.64 0.04 0.00 0.77 0.00 0.00 66.41 66.72 1bav h THR 289 Cb 0.01 1.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 1bav h THR 289 CO -0.02 0.14 0.50 0.00 0.37 0.00 0.00 175.52 176.51 1bav h ALA 290 N 0.08 1.07 0.33 6.16 0.00 -0.58 -1.79 119.26 124.53 1bav h ALA 290 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1bav h ALA 290 Cb 0.44 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1bav h ALA 290 CO 0.05 0.29 -0.22 1.96 0.00 0.00 0.00 179.25 181.32 1bav h GLN 291 N 0.96 -0.52 -0.53 0.00 4.20 -0.51 -1.62 115.11 117.08 1bav h GLN 291 Ca 0.33 0.04 -0.05 0.00 0.06 0.00 0.00 58.65 59.03 1bav h GLN 291 Cb 0.07 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1bav h GLN 291 CO -0.14 -0.35 0.13 1.05 -0.67 0.00 0.00 178.83 178.86 1bav h GLU 292 N -0.54 0.81 -0.05 1.46 4.11 -1.24 -2.29 114.58 116.85 1bav h GLU 292 Ca -0.03 -0.16 -0.09 0.00 0.07 0.00 0.00 59.36 59.15 1bav h GLU 292 Cb 0.46 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1bav h GLU 292 CO 0.02 0.73 -0.39 0.00 0.07 0.00 0.00 179.01 179.44 1bav h THR 293 N 0.78 1.29 -0.45 -1.06 1.03 -1.20 -2.66 112.91 110.65 1bav h THR 293 Ca 0.17 -1.41 0.07 0.00 -0.01 0.00 0.00 66.41 65.24 1bav h THR 293 Cb 0.28 1.70 -0.06 0.00 -1.07 0.00 0.00 68.15 69.00 1bav h THR 293 CO -0.00 0.41 0.09 -0.25 -0.01 0.00 0.00 175.52 175.76 1bav h TRP 294 N 0.09 0.15 -0.77 0.00 2.91 -0.69 0.65 115.95 118.29 1bav h TRP 294 Ca 0.01 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.06 1bav h TRP 294 Cb 0.74 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.35 1bav h TRP 294 CO 0.01 0.01 0.49 -0.07 -1.03 0.00 0.00 178.44 177.84 1bav h LEU 295 N 0.23 0.90 -0.33 0.65 4.07 -1.44 0.68 115.31 120.08 1bav h LEU 295 Ca 0.22 -0.04 -0.03 0.00 0.08 0.00 0.00 57.88 58.11 1bav h LEU 295 Cb 0.28 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 1bav h LEU 295 CO -0.29 0.68 0.07 1.23 -1.08 0.00 0.00 178.44 179.05 1bav h GLY 296 N 1.04 0.57 0.95 0.83 0.00 -1.31 -1.34 103.07 103.81 1bav h GLY 296 Ca 0.28 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 1bav h GLY 296 CO -0.06 0.34 0.12 -2.08 0.00 0.00 0.00 176.54 174.87 1bav h VAL 297 N 0.37 1.22 -0.88 4.60 2.07 -0.58 -2.37 116.25 120.68 1bav h VAL 297 Ca 0.10 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.89 1bav h VAL 297 Cb 0.31 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 1bav h VAL 297 CO 0.00 0.27 0.58 0.25 0.02 0.00 0.00 177.57 178.69 1bav h LEU 298 N 0.55 1.00 -0.49 2.57 6.46 -0.80 -1.00 115.31 123.61 1bav h LEU 298 Ca 0.14 -0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.92 1bav h LEU 298 Cb 0.28 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 39.92 1bav h LEU 298 CO -0.00 0.71 0.23 0.74 -0.62 0.00 0.00 178.44 179.50 1bav h THR 299 N 1.17 0.94 -0.31 1.05 2.02 -0.86 0.22 112.91 117.14 1bav h THR 299 Ca 0.33 -0.16 -0.11 0.00 0.77 0.00 0.00 66.41 67.25 1bav h THR 299 Cb -0.10 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1bav h THR 299 CO -0.08 0.08 -0.25 0.40 0.37 0.00 0.00 175.52 176.05 1bav h ILE 300 N 0.46 1.27 -0.12 3.11 2.04 -0.93 -2.46 117.51 120.87 1bav h ILE 300 Ca 0.22 -1.31 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 1bav h ILE 300 Cb 0.15 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1bav h ILE 300 CO -0.17 0.43 0.00 0.24 0.00 0.00 0.00 178.15 178.65 1bav h MET 301 N 0.53 0.21 -0.75 2.37 2.86 -0.36 -1.53 114.93 118.27 1bav h MET 301 Ca 0.08 -0.07 0.10 0.00 -2.06 0.00 0.00 59.70 57.75 1bav h MET 301 Cb 0.71 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.27 1bav h MET 301 CO 0.05 0.46 0.39 0.93 1.06 0.00 0.00 176.91 179.80 1bav h GLU 302 N -0.05 0.62 -0.27 1.72 5.08 -0.53 -0.32 114.58 120.82 1bav h GLU 302 Ca 0.03 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1bav h GLU 302 Cb 0.36 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1bav h GLU 302 CO 0.01 0.41 0.11 1.25 -1.00 0.00 0.00 179.01 179.78 1bav h HIS 303 N 0.64 0.42 -0.69 4.33 2.76 -1.30 0.37 115.15 121.67 1bav h HIS 303 Ca 0.38 -0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.64 1bav h HIS 303 Cb 0.41 -0.13 -0.09 0.00 1.55 0.00 0.00 27.41 29.16 1bav h HIS 303 CO -0.10 0.42 0.25 1.15 -1.30 0.00 0.00 177.93 178.36 1bav h THR 304 N 0.29 0.69 0.00 6.26 2.02 -0.08 1.41 112.91 123.50 1bav h THR 304 Ca 0.09 -0.14 -0.18 0.00 0.77 0.00 0.00 66.41 66.95 1bav h THR 304 Cb 0.18 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1bav h THR 304 CO -0.01 0.07 -0.87 1.62 0.37 0.00 0.00 175.52 176.71 1bav h VAL 305 N 0.41 1.41 0.00 3.16 3.04 -0.86 -3.13 116.25 120.28 1bav h VAL 305 Ca 0.37 -3.01 0.00 0.00 -1.01 0.00 0.00 66.70 63.04 1bav h VAL 305 Cb 0.53 2.70 0.00 0.00 -2.01 0.00 0.00 31.29 32.50 1bav h VAL 305 CO -0.38 0.81 -0.12 0.59 -1.01 0.00 0.00 177.57 177.46 1bav n ASN 306 N -3.30 0.37 0.00 3.17 3.02 0.13 -5.10 115.26 113.55 1bav n ASN 306 Ca 0.00 0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.95 1bav n ASN 306 Cb 0.88 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 1bav n ASN 306 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23