#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pt9 n MET 24 N 0.00 0.34 -3.11 0.54 0.00 -1.26 -5.16 117.12 108.47 1pt9 n MET 24 Ca 0.00 -2.27 0.03 0.00 0.00 0.00 0.00 57.70 55.46 1pt9 n MET 24 Cb 0.00 1.76 -0.00 0.00 0.00 0.00 0.00 33.22 34.98 1pt9 n MET 24 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1pt9 s GLU 25 N -2.94 0.51 1.03 3.17 4.04 -1.26 -5.17 118.70 118.09 1pt9 s GLU 25 Ca 0.25 0.12 -0.16 0.00 0.04 0.00 0.00 54.97 55.22 1pt9 s GLU 25 Cb 0.01 0.13 0.21 0.00 0.02 0.00 0.00 34.13 34.50 1pt9 s GLU 25 CO 0.18 -0.83 1.20 0.96 -1.84 0.00 0.00 175.26 174.92 1pt9 s ILE 26 N 2.39 1.87 0.05 1.83 -4.36 -1.26 -5.10 121.20 116.62 1pt9 s ILE 26 Ca 0.16 0.00 -0.02 0.00 -0.26 0.00 0.00 60.65 60.52 1pt9 s ILE 26 Cb -0.05 -2.76 -0.03 0.00 1.25 0.00 0.00 42.46 40.88 1pt9 s ILE 26 CO -0.17 0.00 0.01 -0.94 0.24 0.00 0.00 174.94 174.08 1pt9 s SER 27 N -4.31 0.39 -0.01 4.36 1.04 -1.26 -5.17 113.70 108.74 1pt9 s SER 27 Ca 0.70 -0.86 -0.22 0.00 0.48 0.00 0.00 55.95 56.04 1pt9 s SER 27 Cb -0.09 0.21 0.05 0.00 0.10 0.00 0.00 66.02 66.29 1pt9 s SER 27 CO 0.54 -0.58 0.49 -0.83 0.98 0.00 0.00 173.24 173.84 1pt9 s GLY 28 N -2.70 -0.36 0.06 7.32 0.00 -1.26 -5.17 107.32 105.21 1pt9 s GLY 28 Ca 0.03 0.71 0.06 0.00 0.00 0.00 0.00 44.72 45.53 1pt9 s GLY 28 CO -0.09 0.43 -0.17 -0.51 0.00 0.00 0.00 173.10 172.76 1pt9 s THR 29 N -1.62 1.33 0.27 0.90 -4.23 -1.26 -5.06 115.64 105.96 1pt9 s THR 29 Ca -0.10 -1.20 0.10 0.00 -1.18 0.00 0.00 61.69 59.31 1pt9 s THR 29 Cb -0.02 -1.21 -0.05 0.00 1.34 0.00 0.00 72.50 72.57 1pt9 s THR 29 CO 0.04 -0.02 -0.08 -1.38 -0.54 0.00 0.00 174.62 172.65 1pt9 s HIS 30 N -0.99 2.55 -0.16 3.99 -3.43 -1.26 -4.38 115.29 111.62 1pt9 s HIS 30 Ca 0.03 -0.26 0.01 0.00 -0.80 0.00 0.00 55.06 54.03 1pt9 s HIS 30 Cb -0.09 -1.13 0.02 0.00 -1.43 0.00 0.00 32.58 29.96 1pt9 s HIS 30 CO 0.02 0.65 -0.15 0.99 -2.00 0.00 0.00 174.74 174.25 1pt9 s THR 31 N -2.35 1.70 -0.31 -5.38 2.01 -1.26 -5.05 115.64 105.00 1pt9 s THR 31 Ca 0.31 -0.73 -0.14 0.00 0.31 0.00 0.00 61.69 61.43 1pt9 s THR 31 Cb -0.06 -1.59 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 1pt9 s THR 31 CO 0.18 0.46 0.33 -1.61 -0.69 0.00 0.00 174.62 173.29 1pt9 s GLU 32 N 1.43 3.74 0.49 4.92 2.02 -1.26 0.73 118.70 130.77 1pt9 s GLU 32 Ca 0.05 -0.30 0.07 0.00 0.02 0.00 0.00 54.97 54.81 1pt9 s GLU 32 Cb -0.13 -3.74 0.01 0.00 0.10 0.00 0.00 34.13 30.37 1pt9 s GLU 32 CO -0.11 -0.40 0.41 0.96 0.02 0.00 0.00 175.26 176.14 1pt9 s ILE 33 N 1.97 2.14 0.52 -1.63 -4.36 -0.25 -4.92 121.20 114.66 1pt9 s ILE 33 Ca 0.11 -1.40 0.05 0.00 -0.26 0.00 0.00 60.65 59.15 1pt9 s ILE 33 Cb -0.16 -2.54 0.01 0.00 1.25 0.00 0.00 42.46 41.02 1pt9 s ILE 33 CO 0.11 0.00 0.27 0.54 0.24 0.00 0.00 174.94 176.10 1pt9 s ASN 34 N -4.23 4.48 0.14 4.36 4.22 -1.26 -4.59 114.94 118.06 1pt9 s ASN 34 Ca 0.43 -1.32 -0.19 0.00 -2.14 0.00 0.00 52.86 49.63 1pt9 s ASN 34 Cb -0.02 0.32 -0.00 0.00 1.28 0.00 0.00 41.25 42.82 1pt9 s ASN 34 CO 0.26 -0.96 1.71 -0.07 -2.04 0.00 0.00 177.10 175.99 1pt9 h LEU 35 N 0.99 -0.13 -1.00 3.54 3.38 -1.99 -2.33 115.31 117.76 1pt9 h LEU 35 Ca -0.39 0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.65 1pt9 h LEU 35 Cb 1.30 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 42.11 1pt9 h LEU 35 CO 0.63 -0.04 0.67 0.44 0.09 0.00 0.00 178.44 180.23 1pt9 h ASP 36 N 0.05 1.15 -0.66 -0.43 3.32 -1.99 -1.03 116.42 116.82 1pt9 h ASP 36 Ca 0.11 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.15 1pt9 h ASP 36 Cb 0.16 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1pt9 h ASP 36 CO -0.21 0.83 0.44 -1.13 -1.72 0.00 0.00 179.24 177.45 1pt9 h ASN 37 N 1.36 0.75 0.55 6.45 -0.73 -1.89 -1.49 115.58 120.57 1pt9 h ASN 37 Ca 0.37 -0.02 -0.09 0.00 1.87 0.00 0.00 56.30 58.43 1pt9 h ASN 37 Cb -0.15 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.25 1pt9 h ASN 37 CO -0.08 0.54 -0.43 0.00 -0.37 0.00 0.00 177.43 177.08 1pt9 h ALA 38 N 1.25 1.17 -0.31 1.57 0.00 -0.87 -2.61 119.26 119.46 1pt9 h ALA 38 Ca 0.25 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1pt9 h ALA 38 Cb -0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1pt9 h ALA 38 CO -0.06 0.54 0.04 0.82 0.00 0.00 0.00 179.25 180.58 1pt9 h ILE 39 N 0.00 1.24 -0.15 0.00 2.04 -0.25 -0.49 117.51 119.90 1pt9 h ILE 39 Ca -0.00 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 1pt9 h ILE 39 Cb 0.82 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1pt9 h ILE 39 CO 0.06 0.28 0.08 0.44 0.00 0.00 0.00 178.15 179.00 1pt9 h ASP 40 N 0.35 0.19 -0.46 1.72 3.32 -1.16 0.27 116.42 120.64 1pt9 h ASP 40 Ca 0.09 -0.10 0.08 0.00 0.02 0.00 0.00 57.03 57.13 1pt9 h ASP 40 Cb 0.36 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 39.80 1pt9 h ASP 40 CO 0.01 0.23 0.04 0.24 -1.72 0.00 0.00 179.24 178.04 1pt9 h MET 41 N 0.13 0.16 -0.35 3.56 2.86 -1.33 0.15 114.93 120.10 1pt9 h MET 41 Ca 0.05 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.61 1pt9 h MET 41 Cb 0.09 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1pt9 h MET 41 CO -0.01 0.10 -0.10 0.82 1.06 0.00 0.00 176.91 178.79 1pt9 h ILE 42 N 0.16 1.24 0.00 -1.22 2.04 -0.73 -2.28 117.51 116.72 1pt9 h ILE 42 Ca 0.23 -1.04 -0.07 0.00 1.00 0.00 0.00 64.86 64.98 1pt9 h ILE 42 Cb 0.32 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1pt9 h ILE 42 CO -0.34 0.35 -0.34 -0.09 0.00 0.00 0.00 178.15 177.73 1pt9 h ARG 43 N 0.55 0.00 0.00 2.37 2.43 0.94 -3.23 114.38 117.45 1pt9 h ARG 43 Ca 0.10 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.17 1pt9 h ARG 43 Cb 0.50 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1pt9 h ARG 43 CO 0.03 0.34 -1.22 1.49 -1.51 0.00 0.00 179.97 179.09 1pt9 h GLU 44 N 0.00 0.00 -7.08 0.20 4.81 -0.37 -3.47 114.58 108.67 1pt9 h GLU 44 Ca -0.00 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.77 1pt9 h GLU 44 Cb 0.86 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.25 1pt9 h GLU 44 CO 0.04 0.19 0.37 0.00 -0.73 0.00 0.00 179.01 178.88 1pt9 s ALA 45 N -3.08 2.95 -0.08 2.92 0.00 -0.89 -4.98 121.76 118.59 1pt9 s ALA 45 Ca -0.02 0.48 0.10 0.00 0.00 0.00 0.00 51.96 52.52 1pt9 s ALA 45 Cb 0.09 -3.20 -0.14 0.00 0.00 0.00 0.00 23.12 19.87 1pt9 s ALA 45 CO 0.80 -0.15 0.08 0.09 0.00 0.00 0.00 175.76 176.58 1pt9 n ASN 46 N -0.93 2.46 -4.11 0.00 3.02 -1.26 -4.92 115.26 109.51 1pt9 n ASN 46 Ca 0.08 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.31 1pt9 n ASN 46 Cb 0.53 0.92 -0.16 0.00 -0.61 0.00 0.00 39.78 40.46 1pt9 n ASN 46 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1pt9 s SER 47 N -4.05 2.97 -0.05 6.41 1.04 -1.26 -1.19 113.70 117.57 1pt9 s SER 47 Ca -0.05 -0.58 0.05 0.00 0.48 0.00 0.00 55.95 55.84 1pt9 s SER 47 Cb 0.04 -1.37 -0.00 0.00 0.10 0.00 0.00 66.02 64.78 1pt9 s SER 47 CO 0.43 0.02 -0.19 -0.63 0.98 0.00 0.00 173.24 173.85 1pt9 s ILE 48 N 1.15 1.56 -0.07 -1.02 1.01 0.75 -1.93 121.20 122.65 1pt9 s ILE 48 Ca 0.00 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.91 1pt9 s ILE 48 Cb -0.14 -1.34 -0.00 0.00 0.01 0.00 0.00 42.46 40.99 1pt9 s ILE 48 CO -0.08 0.45 -0.21 -0.63 0.00 0.00 0.00 174.94 174.47 1pt9 s ILE 49 N 0.04 1.75 -0.16 2.92 1.01 -0.42 -1.54 121.20 124.79 1pt9 s ILE 49 Ca -0.05 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 1pt9 s ILE 49 Cb -0.12 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 1pt9 s ILE 49 CO 0.03 0.49 -0.08 -0.63 0.00 0.00 0.00 174.94 174.75 1pt9 s ILE 50 N 0.23 3.35 -0.50 2.92 1.01 0.10 -0.51 121.20 127.80 1pt9 s ILE 50 Ca -0.12 -0.54 -0.00 0.00 0.00 0.00 0.00 60.65 60.00 1pt9 s ILE 50 Cb -0.15 -2.46 0.13 0.00 0.01 0.00 0.00 42.46 39.99 1pt9 s ILE 50 CO 0.05 0.49 0.27 0.42 0.00 0.00 0.00 174.94 176.17 1pt9 s THR 51 N 0.68 3.09 0.39 2.92 -4.23 -0.53 0.31 115.64 118.26 1pt9 s THR 51 Ca -0.04 -2.71 -0.16 0.00 -1.18 0.00 0.00 61.69 57.59 1pt9 s THR 51 Cb -0.15 -3.11 -0.09 0.00 1.34 0.00 0.00 72.50 70.49 1pt9 s THR 51 CO 0.02 -0.76 0.83 -2.16 -0.54 0.00 0.00 174.62 172.01 1pt9 s PRO 52 N 0.35 4.02 0.03 3.99 0.04 -1.26 -2.65 135.00 139.53 1pt9 s PRO 52 Ca 0.14 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1pt9 s PRO 52 Cb -0.22 -2.32 -0.00 0.00 0.04 0.00 0.00 34.50 32.00 1pt9 s PRO 52 CO -0.04 0.02 0.04 0.41 0.04 0.00 0.00 177.00 177.47 1pt9 n GLY 53 N -0.73 3.47 0.37 0.56 0.00 -0.86 -4.74 105.19 103.25 1pt9 n GLY 53 Ca 0.05 -1.54 0.30 0.00 0.00 0.00 0.00 46.02 44.84 1pt9 n GLY 53 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1pt9 h TYR 54 N 1.10 0.77 -0.07 1.61 3.20 -1.84 0.17 116.97 121.91 1pt9 h TYR 54 Ca -0.02 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.90 1pt9 h TYR 54 Cb 0.11 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 1pt9 h TYR 54 CO 0.00 -0.29 0.05 0.78 -1.64 0.00 0.00 178.16 177.06 1pt9 h GLY 55 N 0.14 0.00 0.73 1.82 0.00 -1.39 -1.33 103.07 103.04 1pt9 h GLY 55 Ca 0.80 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 48.08 1pt9 h GLY 55 CO -0.60 0.00 -0.11 -2.00 0.00 0.00 0.00 176.54 173.83 1pt9 h LEU 56 N 0.00 0.33 0.71 3.11 5.85 -0.81 -2.90 115.31 121.60 1pt9 h LEU 56 Ca 0.03 -0.46 -0.03 0.00 0.84 0.00 0.00 57.88 58.26 1pt9 h LEU 56 Cb 0.13 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.08 1pt9 h LEU 56 CO -0.00 0.72 -0.34 0.00 -0.34 0.00 0.00 178.44 178.47 1pt9 h ALA 58 N -0.81 2.12 -0.02 0.00 0.00 -1.35 0.65 119.26 119.86 1pt9 h ALA 58 Ca -0.10 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pt9 h ALA 58 Cb 0.75 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1pt9 h ALA 58 CO 0.16 -0.62 -0.18 0.00 0.00 0.00 0.00 179.25 178.61 1pt9 n ALA 59 N -2.39 2.91 -3.66 0.00 0.00 -1.10 -4.96 120.51 111.31 1pt9 n ALA 59 Ca 0.29 -0.52 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 1pt9 n ALA 59 Cb 0.94 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 19.43 1pt9 n ALA 59 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pt9 n LYS 60 N 0.12 -5.70 -0.17 0.00 5.02 0.23 -4.40 118.16 113.26 1pt9 n LYS 60 Ca 0.14 0.69 0.09 0.00 -2.02 0.00 0.00 58.31 57.21 1pt9 n LYS 60 Cb 0.43 -5.46 0.27 0.00 -0.02 0.00 0.00 35.03 30.25 1pt9 n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pt9 n ALA 61 N -4.37 2.46 -0.30 7.82 0.00 -0.34 -4.40 120.51 121.38 1pt9 n ALA 61 Ca -0.22 -0.72 0.08 0.00 0.00 0.00 0.00 53.44 52.57 1pt9 n ALA 61 Cb 0.64 -1.00 0.24 0.00 0.00 0.00 0.00 19.45 19.33 1pt9 n ALA 61 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1pt9 h GLN 62 N 2.79 0.61 0.13 0.00 7.50 -1.91 -2.66 115.11 121.57 1pt9 h GLN 62 Ca 0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 58.65 59.11 1pt9 h GLN 62 Cb 0.62 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 28.02 1pt9 h GLN 62 CO 0.00 0.40 -0.06 1.88 -1.50 0.00 0.00 178.83 179.55 1pt9 h TYR 63 N 0.63 -0.17 -0.75 2.96 0.05 -1.89 -2.14 116.97 115.66 1pt9 h TYR 63 Ca 0.48 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 59.22 1pt9 h TYR 63 Cb 0.69 0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.45 1pt9 h TYR 63 CO -0.09 0.24 0.33 -1.00 -1.05 0.00 0.00 178.16 176.59 1pt9 h PRO 64 N -0.64 1.10 -0.16 4.88 0.13 -1.85 -2.42 132.00 133.04 1pt9 h PRO 64 Ca -0.02 -0.18 -0.03 0.00 -0.87 0.00 0.00 66.00 64.89 1pt9 h PRO 64 Cb 0.49 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.42 1pt9 h PRO 64 CO 0.03 0.88 -0.05 0.97 -0.23 0.00 0.00 178.00 179.60 1pt9 h ILE 65 N 1.07 1.14 -0.48 -3.56 6.09 -1.54 -1.53 117.51 118.70 1pt9 h ILE 65 Ca 0.25 -0.58 -0.12 0.00 -1.37 0.00 0.00 64.86 63.05 1pt9 h ILE 65 Cb 0.17 1.08 -0.01 0.00 0.47 0.00 0.00 36.82 38.52 1pt9 h ILE 65 CO -0.03 0.19 -0.16 0.00 -3.07 0.00 0.00 178.15 175.08 1pt9 h ALA 66 N 1.71 0.67 -0.20 0.18 0.00 -0.90 -1.38 119.26 119.34 1pt9 h ALA 66 Ca 0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1pt9 h ALA 66 Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1pt9 h ALA 66 CO 0.01 0.61 0.03 -0.44 0.00 0.00 0.00 179.25 179.46 1pt9 h ASP 67 N 0.80 0.32 -0.76 0.00 3.45 -1.10 -2.20 116.42 116.93 1pt9 h ASP 67 Ca 0.12 -0.27 0.08 0.00 0.43 0.00 0.00 57.03 57.39 1pt9 h ASP 67 Cb 0.73 -0.09 -0.07 0.00 -0.56 0.00 0.00 39.33 39.34 1pt9 h ASP 67 CO 0.06 0.51 0.42 0.25 -1.57 0.00 0.00 179.24 178.90 1pt9 h LEU 68 N 0.12 0.59 -1.40 1.55 5.85 -1.21 -0.42 115.31 120.39 1pt9 h LEU 68 Ca 0.06 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 1pt9 h LEU 68 Cb 0.33 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1pt9 h LEU 68 CO 0.00 0.35 -0.28 0.58 -0.34 0.00 0.00 178.44 178.75 1pt9 h VAL 69 N 0.72 1.21 -0.04 1.05 2.07 -1.06 -2.01 116.25 118.19 1pt9 h VAL 69 Ca 0.36 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 1pt9 h VAL 69 Cb 0.32 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1pt9 h VAL 69 CO -0.24 0.29 -0.05 0.50 0.02 0.00 0.00 177.57 178.09 1pt9 h LYS 70 N 0.02 0.11 -0.61 1.57 3.64 -0.47 -1.99 116.57 118.84 1pt9 h LYS 70 Ca 0.00 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1pt9 h LYS 70 Cb 0.52 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1pt9 h LYS 70 CO 0.04 0.60 0.31 0.52 -2.27 0.00 0.00 179.45 178.65 1pt9 h MET 71 N -0.36 0.87 -0.55 1.90 2.86 -1.24 -1.16 114.93 117.25 1pt9 h MET 71 Ca 0.01 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1pt9 h MET 71 Cb 0.58 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 1pt9 h MET 71 CO 0.01 0.69 0.22 -0.07 1.06 0.00 0.00 176.91 178.82 1pt9 h LEU 72 N 0.84 0.72 -0.78 1.22 3.38 -1.40 -0.23 115.31 119.07 1pt9 h LEU 72 Ca 0.21 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1pt9 h LEU 72 Cb 0.09 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1pt9 h LEU 72 CO -0.03 0.65 -0.14 0.74 0.09 0.00 0.00 178.44 179.74 1pt9 h THR 73 N 0.78 1.26 -0.22 0.22 2.02 -0.85 -1.94 112.91 114.18 1pt9 h THR 73 Ca 0.19 -1.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.14 1pt9 h THR 73 Cb 0.15 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1pt9 h THR 73 CO -0.02 0.41 0.11 -0.33 0.37 0.00 0.00 175.52 176.06 1pt9 h GLU 74 N 0.69 0.31 0.00 6.66 5.08 -0.02 -1.93 114.58 125.38 1pt9 h GLU 74 Ca 0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1pt9 h GLU 74 Cb 0.63 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1pt9 h GLU 74 CO 0.04 0.32 0.00 1.04 -1.00 0.00 0.00 179.01 179.41 1pt9 n GLN 75 N -4.85 0.22 -0.14 2.33 6.02 -0.22 -4.76 117.38 115.98 1pt9 n GLN 75 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1pt9 n GLN 75 Cb 0.09 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.26 1pt9 n GLN 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pt9 n GLY 76 N -0.33 1.60 3.77 1.08 0.00 -0.73 -5.03 105.19 105.55 1pt9 n GLY 76 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1pt9 n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pt9 s LYS 77 N -0.39 4.12 -0.52 1.61 1.02 -0.75 -4.96 119.74 119.87 1pt9 s LYS 77 Ca 0.00 1.99 -0.24 0.00 0.02 0.00 0.00 55.97 57.74 1pt9 s LYS 77 Cb 0.00 -2.80 0.04 0.00 -0.52 0.00 0.00 37.83 34.54 1pt9 s LYS 77 CO 0.00 -0.31 0.90 0.21 -0.92 0.00 0.00 175.35 175.23 1pt9 s LYS 78 N -2.13 3.35 -0.07 1.68 2.20 -0.34 -4.22 119.74 120.22 1pt9 s LYS 78 Ca 0.55 -0.23 0.04 0.00 -0.36 0.00 0.00 55.97 55.96 1pt9 s LYS 78 Cb -0.34 -4.03 -0.02 0.00 -1.51 0.00 0.00 37.83 31.93 1pt9 s LYS 78 CO 0.44 -1.39 -0.20 0.08 -0.36 0.00 0.00 175.35 173.93 1pt9 s VAL 79 N 3.75 2.54 0.12 4.02 1.01 -1.26 -0.18 120.40 130.40 1pt9 s VAL 79 Ca 0.30 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 1pt9 s VAL 79 Cb -0.13 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 1pt9 s VAL 79 CO 0.20 0.56 0.23 -0.13 0.00 0.00 0.00 175.10 175.96 1pt9 s ARG 80 N -0.18 0.96 -0.07 2.72 0.52 -0.59 -4.93 118.95 117.39 1pt9 s ARG 80 Ca -0.02 -1.03 0.01 0.00 -0.52 0.00 0.00 55.73 54.17 1pt9 s ARG 80 Cb -0.14 0.36 -0.03 0.00 0.52 0.00 0.00 34.95 35.66 1pt9 s ARG 80 CO 0.03 -0.33 -0.08 -0.06 0.02 0.00 0.00 175.30 174.89 1pt9 s PHE 81 N -3.90 2.91 -0.23 -0.53 0.40 0.82 0.01 117.98 117.45 1pt9 s PHE 81 Ca 0.09 -0.04 -0.02 0.00 -0.60 0.00 0.00 56.93 56.36 1pt9 s PHE 81 Cb 0.04 -1.72 0.01 0.00 0.51 0.00 0.00 43.02 41.87 1pt9 s PHE 81 CO -0.07 0.28 -0.07 0.20 0.70 0.00 0.00 175.22 176.25 1pt9 s GLY 82 N -0.70 1.58 -0.20 4.36 0.00 0.15 -0.95 107.32 111.56 1pt9 s GLY 82 Ca 0.11 -1.31 -0.04 0.00 0.00 0.00 0.00 44.72 43.47 1pt9 s GLY 82 CO 0.02 0.45 -0.02 -0.42 0.00 0.00 0.00 173.10 173.12 1pt9 s ILE 83 N 1.38 3.69 0.40 0.90 -1.09 0.95 -4.21 121.20 123.23 1pt9 s ILE 83 Ca 0.03 -0.40 -0.24 0.00 -2.23 0.00 0.00 60.65 57.82 1pt9 s ILE 83 Cb -0.15 -2.67 -0.09 0.00 -1.58 0.00 0.00 42.46 37.97 1pt9 s ILE 83 CO -0.05 0.43 1.04 -2.28 -1.23 0.00 0.00 174.94 172.85 1pt9 s HIS 84 N 1.12 3.26 0.51 3.97 2.46 -1.26 -1.11 115.29 124.24 1pt9 s HIS 84 Ca 0.02 1.64 0.21 0.00 0.47 0.00 0.00 55.06 57.40 1pt9 s HIS 84 Cb -0.15 -3.10 1.30 0.00 -0.13 0.00 0.00 32.58 30.51 1pt9 s HIS 84 CO 0.01 -0.58 2.04 -1.35 -2.47 0.00 0.00 174.74 172.38 1pt9 h PRO 85 N 2.42 0.06 -0.21 2.88 0.11 -1.99 -2.52 132.00 132.75 1pt9 h PRO 85 Ca -0.48 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 1pt9 h PRO 85 Cb 1.21 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.20 1pt9 h PRO 85 CO 0.62 0.04 -0.50 1.33 -0.21 0.00 0.00 178.00 179.28 1pt9 n VAL 86 N -4.44 2.33 -2.08 3.15 0.24 -1.26 -4.64 118.33 111.63 1pt9 n VAL 86 Ca 0.06 -3.40 -0.36 0.00 -2.04 0.00 0.00 64.34 58.60 1pt9 n VAL 86 Cb 0.41 -0.45 0.02 0.00 -1.47 0.00 0.00 33.84 32.36 1pt9 n VAL 86 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pt9 s ALA 87 N -3.32 2.60 0.08 2.33 0.00 -0.95 -4.76 121.76 117.74 1pt9 s ALA 87 Ca 0.42 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1pt9 s ALA 87 Cb 0.38 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1pt9 s ALA 87 CO -0.04 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.08 1pt9 n GLY 88 N 0.42 -1.71 0.58 0.00 0.00 -1.26 -4.40 105.19 98.83 1pt9 n GLY 88 Ca 0.13 -1.25 0.12 0.00 0.00 0.00 0.00 46.02 45.02 1pt9 n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pt9 n ARG 89 N -1.81 1.49 -4.03 1.61 5.12 -1.26 -4.82 116.66 112.97 1pt9 n ARG 89 Ca 0.00 -1.17 -0.10 0.00 -1.93 0.00 0.00 57.85 54.66 1pt9 n ARG 89 Cb 0.15 -1.48 -0.11 0.00 -1.16 0.00 0.00 32.46 29.87 1pt9 n ARG 89 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 1pt9 s MET 90 N -2.32 0.44 -0.07 5.56 -1.94 -1.26 -5.09 119.30 114.62 1pt9 s MET 90 Ca 0.23 -0.78 -0.36 0.00 -1.71 0.00 0.00 55.69 53.07 1pt9 s MET 90 Cb 0.19 0.02 -0.14 0.00 2.01 0.00 0.00 34.83 36.92 1pt9 s MET 90 CO 0.47 -0.04 1.73 -2.30 -0.01 0.00 0.00 175.02 174.88 1pt9 n PRO 91 N 1.23 1.82 -1.52 2.03 -0.02 -1.26 -1.27 135.00 136.01 1pt9 n PRO 91 Ca -0.21 0.66 -0.18 0.00 -2.02 0.00 0.00 63.50 61.75 1pt9 n PRO 91 Cb 0.56 -2.44 -0.08 0.00 -0.02 0.00 0.00 33.50 31.53 1pt9 n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pt9 n GLY 92 N 3.96 1.72 0.15 -1.23 0.00 -1.26 -4.88 105.19 103.65 1pt9 n GLY 92 Ca 0.22 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 1pt9 n GLY 92 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1pt9 h GLN 93 N 0.00 0.23 -0.13 1.61 4.15 -1.44 -0.40 115.11 119.14 1pt9 h GLN 93 Ca -0.37 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 58.94 1pt9 h GLN 93 Cb 1.27 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.90 1pt9 h GLN 93 CO 0.54 0.15 -0.38 -0.07 -1.93 0.00 0.00 178.83 177.13 1pt9 h LEU 94 N 0.24 0.28 -0.10 -2.39 -0.00 -1.82 -1.82 115.31 109.70 1pt9 h LEU 94 Ca 0.16 -0.11 -0.01 0.00 -0.00 0.00 0.00 57.88 57.92 1pt9 h LEU 94 Cb 0.15 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 40.73 1pt9 h LEU 94 CO -0.18 0.65 0.02 0.78 -0.00 0.00 0.00 178.44 179.71 1pt9 h ASN 95 N 0.23 0.15 0.56 -0.43 4.21 -1.80 -2.24 115.58 116.26 1pt9 h ASN 95 Ca 0.02 -0.23 -0.03 0.00 1.21 0.00 0.00 56.30 57.28 1pt9 h ASN 95 Cb 0.79 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.95 1pt9 h ASN 95 CO 0.06 0.34 -0.28 0.58 -1.29 0.00 0.00 177.43 176.84 1pt9 h VAL 96 N -0.05 0.42 -0.02 2.81 2.07 -0.95 -1.65 116.25 118.89 1pt9 h VAL 96 Ca 0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1pt9 h VAL 96 Cb 0.25 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1pt9 h VAL 96 CO 0.00 0.00 0.02 -0.07 0.02 0.00 0.00 177.57 177.54 1pt9 h LEU 97 N -0.77 0.00 0.13 2.57 3.38 -1.38 0.48 115.31 119.72 1pt9 h LEU 97 Ca -0.07 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.63 1pt9 h LEU 97 Cb 0.60 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.38 1pt9 h LEU 97 CO 0.11 0.00 -1.11 -0.07 0.09 0.00 0.00 178.44 177.46 1pt9 h LEU 98 N 0.00 0.75 0.28 1.67 3.38 -1.22 -2.29 115.31 117.88 1pt9 h LEU 98 Ca 0.01 -0.86 -0.00 0.00 0.09 0.00 0.00 57.88 57.12 1pt9 h LEU 98 Cb 0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1pt9 h LEU 98 CO -0.00 1.54 -0.21 0.00 0.09 0.00 0.00 178.44 179.86 1pt9 h ALA 99 N 0.23 -0.47 -0.70 1.53 0.00 -0.51 -0.47 119.26 118.87 1pt9 h ALA 99 Ca -0.18 -0.08 0.19 0.00 0.00 0.00 0.00 54.91 54.84 1pt9 h ALA 99 Cb 1.82 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.85 1pt9 h ALA 99 CO 0.21 -0.78 0.49 1.49 0.00 0.00 0.00 179.25 180.67 1pt9 h GLU 100 N -0.49 0.06 -0.00 0.00 4.81 -1.00 0.38 114.58 118.34 1pt9 h GLU 100 Ca -0.02 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1pt9 h GLU 100 Cb 0.42 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1pt9 h GLU 100 CO -0.00 0.04 -0.01 0.00 -0.73 0.00 0.00 179.01 178.31 1pt9 n ALA 101 N -2.65 2.59 -0.27 2.92 0.00 -0.26 -4.91 120.51 117.93 1pt9 n ALA 101 Ca 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1pt9 n ALA 101 Cb 0.73 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1pt9 n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pt9 n GLY 102 N 1.15 0.67 3.67 0.00 0.00 0.13 -4.84 105.19 105.97 1pt9 n GLY 102 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1pt9 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pt9 s VAL 103 N -2.57 3.65 0.37 1.61 1.01 -0.75 -4.95 120.40 118.77 1pt9 s VAL 103 Ca 0.00 0.85 -0.26 0.00 0.00 0.00 0.00 61.98 62.58 1pt9 s VAL 103 Cb 0.00 -3.55 -0.12 0.00 0.00 0.00 0.00 36.38 32.71 1pt9 s VAL 103 CO 0.00 -0.06 1.04 -2.65 0.00 0.00 0.00 175.10 173.43 1pt9 n PRO 104 N 6.70 1.45 0.15 2.72 -0.02 -1.26 -4.44 135.00 140.29 1pt9 n PRO 104 Ca 0.16 0.51 -0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1pt9 n PRO 104 Cb 0.43 -2.02 0.23 0.00 -0.02 0.00 0.00 33.50 32.11 1pt9 n PRO 104 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 1pt9 h TYR 105 N 1.79 0.04 0.00 6.00 -1.99 -1.93 -3.15 116.97 117.72 1pt9 h TYR 105 Ca -0.43 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.28 1pt9 h TYR 105 Cb 1.33 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 40.05 1pt9 h TYR 105 CO 0.45 0.56 0.00 -0.40 -0.00 0.00 0.00 178.16 178.77 1pt9 n ASP 106 N -3.91 0.17 -0.83 3.88 3.85 -1.26 -2.39 116.55 116.07 1pt9 n ASP 106 Ca -0.01 0.54 0.08 0.00 -0.71 0.00 0.00 54.79 54.68 1pt9 n ASP 106 Cb 0.54 -0.58 0.24 0.00 -1.35 0.00 0.00 41.12 39.98 1pt9 n ASP 106 CO 0.00 0.00 0.00 2.30 -1.01 0.00 0.00 177.20 178.49 1pt9 n ILE 107 N -1.69 2.27 -4.07 2.12 -5.35 -1.19 -4.87 119.36 106.58 1pt9 n ILE 107 Ca 0.03 -1.99 -0.32 0.00 -0.27 0.00 0.00 62.75 60.20 1pt9 n ILE 107 Cb 0.19 -0.26 -0.16 0.00 -1.74 0.00 0.00 39.64 37.67 1pt9 n ILE 107 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1pt9 s VAL 108 N -2.87 1.98 0.19 7.28 1.01 -1.00 -0.13 120.40 126.86 1pt9 s VAL 108 Ca 0.41 -1.21 0.09 0.00 0.00 0.00 0.00 61.98 61.28 1pt9 s VAL 108 Cb 0.34 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1pt9 s VAL 108 CO 0.08 0.23 -0.18 -0.76 0.00 0.00 0.00 175.10 174.46 1pt9 s LEU 109 N 1.25 2.49 0.38 3.92 1.02 -0.13 -4.96 118.68 122.65 1pt9 s LEU 109 Ca -0.02 -0.92 -0.12 0.00 0.02 0.00 0.00 54.13 53.09 1pt9 s LEU 109 Cb -0.16 -0.87 -0.07 0.00 0.02 0.00 0.00 46.19 45.10 1pt9 s LEU 109 CO -0.09 -0.04 0.77 -1.83 0.02 0.00 0.00 176.35 175.19 1pt9 s GLU 110 N -3.07 3.87 0.13 1.70 -1.05 -1.26 -0.03 118.70 118.98 1pt9 s GLU 110 Ca 0.20 0.57 -0.26 0.00 -0.15 0.00 0.00 54.97 55.33 1pt9 s GLU 110 Cb -0.05 -2.39 -0.06 0.00 -0.44 0.00 0.00 34.13 31.19 1pt9 s GLU 110 CO 0.08 0.02 1.45 1.98 0.95 0.00 0.00 175.26 179.74 1pt9 h MET 111 N 1.60 -0.06 0.00 -4.83 1.85 -1.46 -0.74 114.93 111.28 1pt9 h MET 111 Ca -0.47 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.62 1pt9 h MET 111 Cb 1.18 0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.23 1pt9 h MET 111 CO 0.64 -0.04 0.29 -0.25 -0.40 0.00 0.00 176.91 177.15 1pt9 n ASP 112 N -4.88 0.25 -0.32 1.39 8.00 -1.26 -0.75 116.55 118.97 1pt9 n ASP 112 Ca 0.01 0.48 0.04 0.00 0.71 0.00 0.00 54.79 56.03 1pt9 n ASP 112 Cb 0.23 -0.44 0.03 0.00 -0.02 0.00 0.00 41.12 40.93 1pt9 n ASP 112 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1pt9 n GLU 113 N -1.85 0.12 0.00 -1.24 0.28 -0.30 -4.63 120.64 113.02 1pt9 n GLU 113 Ca -0.01 -0.97 0.00 0.00 -0.16 0.00 0.00 57.16 56.02 1pt9 n GLU 113 Cb 0.30 -1.15 0.00 0.00 1.43 0.00 0.00 31.44 32.02 1pt9 n GLU 113 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 1pt9 n ILE 114 N 0.44 0.00 -0.21 3.84 3.06 -0.07 -4.82 119.36 121.60 1pt9 n ILE 114 Ca 0.05 -0.17 0.01 0.00 -2.50 0.00 0.00 62.75 60.14 1pt9 n ILE 114 Cb 0.20 0.69 0.12 0.00 0.54 0.00 0.00 39.64 41.18 1pt9 n ILE 114 CO 0.00 0.00 0.00 -1.13 -2.50 0.00 0.00 176.55 172.92 1pt9 h ASN 115 N 0.00 0.20 0.14 9.51 -0.73 -1.20 -0.39 115.58 123.12 1pt9 h ASN 115 Ca 0.00 0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.26 1pt9 h ASN 115 Cb 0.00 0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.66 1pt9 h ASN 115 CO 0.00 0.11 0.00 0.00 -0.37 0.00 0.00 177.43 177.17 1pt9 n HIS 116 N -5.01 0.00 1.12 0.67 1.44 -1.26 -1.91 115.22 110.26 1pt9 n HIS 116 Ca 0.09 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.92 1pt9 n HIS 116 Cb 0.30 -0.31 0.18 0.00 0.12 0.00 0.00 29.99 30.28 1pt9 n HIS 116 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1pt9 n ASP 117 N -1.31 1.51 -0.25 4.39 9.92 -0.15 -4.41 116.55 126.25 1pt9 n ASP 117 Ca 0.03 -1.19 -0.06 0.00 -0.53 0.00 0.00 54.79 53.04 1pt9 n ASP 117 Cb 0.06 0.33 0.05 0.00 -0.64 0.00 0.00 41.12 40.91 1pt9 n ASP 117 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 1pt9 h PHE 118 N 1.76 1.00 -0.05 1.24 -1.00 -1.47 -2.30 116.94 116.12 1pt9 h PHE 118 Ca 0.00 -0.05 0.01 0.00 2.81 0.00 0.00 57.97 60.74 1pt9 h PHE 118 Cb 0.63 -0.31 -0.00 0.00 3.61 0.00 0.00 35.95 39.88 1pt9 h PHE 118 CO 0.00 0.75 0.07 -1.35 -1.61 0.00 0.00 178.31 176.17 1pt9 h PRO 119 N 0.96 0.00 -0.57 1.51 0.11 -1.77 -0.85 132.00 131.40 1pt9 h PRO 119 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1pt9 h PRO 119 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1pt9 h PRO 119 CO -0.03 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.51 1pt9 n ASP 120 N -3.66 3.55 -4.66 -2.05 8.00 -0.89 -4.78 116.55 112.06 1pt9 n ASP 120 Ca -0.02 -1.99 -0.36 0.00 0.71 0.00 0.00 54.79 53.14 1pt9 n ASP 120 Cb 0.16 -0.38 -0.09 0.00 -0.02 0.00 0.00 41.12 40.79 1pt9 n ASP 120 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1pt9 s THR 121 N -1.25 5.15 0.06 -3.53 2.01 -0.32 -4.95 115.64 112.81 1pt9 s THR 121 Ca 0.43 0.10 -0.22 0.00 0.31 0.00 0.00 61.69 62.32 1pt9 s THR 121 Cb 0.23 -3.37 -0.13 0.00 0.01 0.00 0.00 72.50 69.24 1pt9 s THR 121 CO 0.31 0.40 1.54 0.44 -0.69 0.00 0.00 174.62 176.62 1pt9 h ASP 122 N 7.10 0.17 -3.73 3.53 3.45 -1.83 -2.53 116.42 122.59 1pt9 h ASP 122 Ca -0.39 -0.24 -0.33 0.00 0.43 0.00 0.00 57.03 56.50 1pt9 h ASP 122 Cb 1.16 -0.05 -0.30 0.00 -0.56 0.00 0.00 39.33 39.58 1pt9 h ASP 122 CO 0.69 0.37 -0.75 -0.22 -1.57 0.00 0.00 179.24 177.76 1pt9 s LEU 123 N -9.68 1.72 -0.09 1.55 2.96 -0.81 -1.19 118.68 113.14 1pt9 s LEU 123 Ca -0.14 -0.08 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 1pt9 s LEU 123 Cb 0.06 -0.26 -0.00 0.00 0.50 0.00 0.00 46.19 46.48 1pt9 s LEU 123 CO 0.70 0.00 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.81 1pt9 s VAL 124 N 0.30 1.98 -0.42 1.68 1.01 -0.18 -1.30 120.40 123.47 1pt9 s VAL 124 Ca -0.03 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 60.89 1pt9 s VAL 124 Cb -0.06 -1.70 0.09 0.00 0.00 0.00 0.00 36.38 34.70 1pt9 s VAL 124 CO -0.00 0.54 0.25 -0.76 0.00 0.00 0.00 175.10 175.13 1pt9 s LEU 125 N 0.23 5.18 -0.62 3.92 1.43 0.33 -1.38 118.68 127.76 1pt9 s LEU 125 Ca -0.14 -1.65 -0.23 0.00 -1.03 0.00 0.00 54.13 51.08 1pt9 s LEU 125 Cb -0.17 -1.95 0.06 0.00 0.03 0.00 0.00 46.19 44.17 1pt9 s LEU 125 CO 0.07 -0.55 0.94 -0.69 0.23 0.00 0.00 176.35 176.35 1pt9 s VAL 126 N 1.35 4.37 -0.44 -1.59 1.01 -0.40 -1.46 120.40 123.24 1pt9 s VAL 126 Ca 0.04 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 1pt9 s VAL 126 Cb -0.23 -4.63 0.10 0.00 0.00 0.00 0.00 36.38 31.62 1pt9 s VAL 126 CO 0.00 -1.34 0.30 -0.63 0.00 0.00 0.00 175.10 173.43 1pt9 s ILE 127 N 3.94 4.09 -0.26 2.22 1.01 -1.08 0.38 121.20 131.50 1pt9 s ILE 127 Ca 0.24 -1.69 0.00 0.00 0.00 0.00 0.00 60.65 59.20 1pt9 s ILE 127 Cb -0.16 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.67 1pt9 s ILE 127 CO 0.12 -0.67 0.00 0.61 0.00 0.00 0.00 174.94 175.00 1pt9 n GLY 128 N 4.87 0.47 3.79 6.18 0.00 -0.55 -2.04 105.19 117.91 1pt9 n GLY 128 Ca -0.08 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1pt9 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pt9 s ALA 129 N -1.70 3.60 0.00 4.61 0.00 -1.26 -1.09 121.76 125.92 1pt9 s ALA 129 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1pt9 s ALA 129 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.64 1pt9 s ALA 129 CO 0.00 0.75 0.00 -1.71 0.00 0.00 0.00 175.76 174.80 1pt9 n ASN 130 N 0.52 0.00 -0.20 0.00 2.85 -1.26 -4.89 115.26 112.28 1pt9 n ASN 130 Ca -0.09 0.00 0.16 0.00 -0.11 0.00 0.00 54.58 54.55 1pt9 n ASN 130 Cb 0.52 0.07 0.50 0.00 1.24 0.00 0.00 39.78 42.11 1pt9 n ASN 130 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1pt9 h ASP 131 N 0.00 0.41 0.44 1.20 3.45 -1.94 0.39 116.42 120.37 1pt9 h ASP 131 Ca 0.00 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.49 1pt9 h ASP 131 Cb 0.00 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 38.72 1pt9 h ASP 131 CO 0.00 0.20 0.00 0.35 -1.57 0.00 0.00 179.24 178.22 1pt9 n THR 132 N -4.49 0.10 -2.14 0.35 -2.24 -1.26 -3.15 114.28 101.44 1pt9 n THR 132 Ca 0.16 0.02 0.05 0.00 -2.27 0.00 0.00 64.05 62.01 1pt9 n THR 132 Cb 0.58 -0.57 0.09 0.00 -2.10 0.00 0.00 70.33 68.33 1pt9 n THR 132 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1pt9 n VAL 133 N -1.24 0.87 -3.07 2.28 0.24 0.08 0.41 118.33 117.89 1pt9 n VAL 133 Ca 0.14 -1.88 -0.43 0.00 -2.04 0.00 0.00 64.34 60.13 1pt9 n VAL 133 Cb 0.20 0.51 -0.06 0.00 -1.47 0.00 0.00 33.84 33.02 1pt9 n VAL 133 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1pt9 s ASN 134 N -2.48 6.32 0.00 -1.34 3.84 -0.91 -4.85 114.94 115.51 1pt9 s ASN 134 Ca 0.35 -0.40 0.07 0.00 0.21 0.00 0.00 52.86 53.10 1pt9 s ASN 134 Cb 0.38 -2.33 0.30 0.00 -0.55 0.00 0.00 41.25 39.05 1pt9 s ASN 134 CO -0.13 -0.85 1.23 -1.54 -2.79 0.00 0.00 177.10 173.01 1pt9 n SER 135 N 6.41 0.01 0.04 -4.21 3.41 -1.26 -2.07 113.62 115.95 1pt9 n SER 135 Ca -0.02 0.50 0.07 0.00 -0.26 0.00 0.00 58.87 59.17 1pt9 n SER 135 Cb 0.47 -0.50 0.31 0.00 -0.26 0.00 0.00 64.21 64.23 1pt9 n SER 135 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pt9 n ALA 136 N -1.50 1.51 0.18 7.33 0.00 -1.26 -0.61 120.51 126.15 1pt9 n ALA 136 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.50 1pt9 n ALA 136 Cb 0.08 -1.23 0.31 0.00 0.00 0.00 0.00 19.45 18.61 1pt9 n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pt9 h ALA 137 N 2.33 1.00 0.00 0.00 0.00 -1.67 -2.99 119.26 117.94 1pt9 h ALA 137 Ca 0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 54.91 54.29 1pt9 h ALA 137 Cb 0.21 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1pt9 h ALA 137 CO 0.00 0.52 -1.90 1.04 0.00 0.00 0.00 179.25 178.91 1pt9 n GLN 138 N -3.59 0.39 -0.02 0.00 6.02 -0.35 -0.41 117.38 119.41 1pt9 n GLN 138 Ca -0.00 0.10 0.08 0.00 -0.01 0.00 0.00 57.00 57.16 1pt9 n GLN 138 Cb 0.52 -1.30 0.43 0.00 1.02 0.00 0.00 30.24 30.91 1pt9 n GLN 138 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1pt9 n GLU 139 N -3.02 1.18 -3.33 -1.09 1.02 0.22 -4.68 120.64 110.95 1pt9 n GLU 139 Ca -0.28 -0.28 -0.08 0.00 -0.02 0.00 0.00 57.16 56.50 1pt9 n GLU 139 Cb 0.79 -1.27 -0.07 0.00 -0.02 0.00 0.00 31.44 30.87 1pt9 n GLU 139 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1pt9 s ASP 140 N -1.48 0.16 0.47 1.62 2.15 -1.13 -4.98 116.67 113.49 1pt9 s ASP 140 Ca 0.25 0.15 0.29 0.00 0.43 0.00 0.00 52.55 53.67 1pt9 s ASP 140 Cb 0.12 1.19 1.04 0.00 -0.30 0.00 0.00 42.92 44.97 1pt9 s ASP 140 CO 0.19 -0.31 1.85 1.55 -0.17 0.00 0.00 175.17 178.29 1pt9 h PRO 141 N 8.17 0.00 0.00 4.34 0.13 -1.83 -2.89 132.00 139.92 1pt9 h PRO 141 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1pt9 h PRO 141 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1pt9 h PRO 141 CO 0.27 0.00 -0.72 -0.91 -0.23 0.00 0.00 178.00 176.42 1pt9 h ASN 142 N 0.00 0.00 -3.69 1.44 -0.26 -1.95 -3.46 115.58 107.66 1pt9 h ASN 142 Ca 0.00 -0.07 -0.56 0.00 -0.56 0.00 0.00 56.30 55.10 1pt9 h ASN 142 Cb 0.63 0.00 0.14 0.00 -1.06 0.00 0.00 38.32 38.02 1pt9 h ASN 142 CO 0.00 0.04 0.45 -0.24 -1.06 0.00 0.00 177.43 176.62 1pt9 n SER 143 N -2.53 2.24 0.09 5.81 2.88 -1.09 -4.88 113.62 116.15 1pt9 n SER 143 Ca 0.02 1.01 0.11 0.00 -1.33 0.00 0.00 58.87 58.68 1pt9 n SER 143 Cb 0.51 -1.50 0.44 0.00 -0.75 0.00 0.00 64.21 62.91 1pt9 n SER 143 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1pt9 n ILE 144 N -0.75 0.86 -0.25 2.46 -5.35 -1.26 -1.89 119.36 113.17 1pt9 n ILE 144 Ca 0.09 0.22 0.07 0.00 -0.27 0.00 0.00 62.75 62.86 1pt9 n ILE 144 Cb 0.43 -1.10 0.19 0.00 -1.74 0.00 0.00 39.64 37.42 1pt9 n ILE 144 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 1pt9 n ILE 145 N -2.04 1.07 -1.63 7.28 -5.35 -1.26 -5.03 119.36 112.40 1pt9 n ILE 145 Ca 0.03 -1.04 -0.47 0.00 -0.27 0.00 0.00 62.75 60.99 1pt9 n ILE 145 Cb 0.22 0.46 -0.04 0.00 -1.74 0.00 0.00 39.64 38.54 1pt9 n ILE 145 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1pt9 n ALA 146 N 0.69 0.27 0.00 -1.28 0.00 -0.79 -1.89 120.51 117.51 1pt9 n ALA 146 Ca 0.15 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1pt9 n ALA 146 Cb 0.49 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1pt9 n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pt9 n GLY 147 N 2.38 2.60 3.75 0.00 0.00 0.45 -5.01 105.19 109.36 1pt9 n GLY 147 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1pt9 n GLY 147 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pt9 s MET 148 N -0.26 4.69 0.44 1.61 1.00 -0.79 -5.00 119.30 121.00 1pt9 s MET 148 Ca 0.00 1.67 -0.24 0.00 0.00 0.00 0.00 55.69 57.12 1pt9 s MET 148 Cb 0.00 -3.25 -0.08 0.00 0.00 0.00 0.00 34.83 31.51 1pt9 s MET 148 CO 0.00 0.27 1.23 -1.25 0.00 0.00 0.00 175.02 175.26 1pt9 s PRO 149 N -1.01 3.80 0.28 2.03 0.04 -1.26 -4.80 135.00 134.07 1pt9 s PRO 149 Ca 0.45 1.95 -0.02 0.00 0.04 0.00 0.00 61.00 63.41 1pt9 s PRO 149 Cb -0.29 -2.54 -0.02 0.00 0.04 0.00 0.00 34.50 31.69 1pt9 s PRO 149 CO 0.36 -0.57 0.33 0.14 0.04 0.00 0.00 177.00 177.30 1pt9 s VAL 150 N -1.41 0.00 -0.26 -0.36 -7.23 -1.26 -5.00 120.40 104.87 1pt9 s VAL 150 Ca 0.61 -1.76 -0.23 0.00 -1.81 0.00 0.00 61.98 58.80 1pt9 s VAL 150 Cb -0.33 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 1pt9 s VAL 150 CO 0.41 0.00 0.76 -0.76 -0.31 0.00 0.00 175.10 175.20 1pt9 s LEU 151 N -3.19 4.08 -0.72 1.32 1.43 0.17 -4.93 118.68 116.83 1pt9 s LEU 151 Ca 0.33 0.83 -0.08 0.00 -1.03 0.00 0.00 54.13 54.18 1pt9 s LEU 151 Cb 0.02 -3.05 -0.19 0.00 0.03 0.00 0.00 46.19 43.00 1pt9 s LEU 151 CO 0.17 -0.50 3.33 -0.62 0.23 0.00 0.00 176.35 178.95 1pt9 n GLU 152 N 5.97 2.75 0.24 1.70 1.02 -1.26 -4.46 120.64 126.60 1pt9 n GLU 152 Ca 0.03 -1.53 0.17 0.00 -0.02 0.00 0.00 57.16 55.82 1pt9 n GLU 152 Cb 0.48 -2.35 0.88 0.00 -0.02 0.00 0.00 31.44 30.43 1pt9 n GLU 152 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1pt9 h VAL 153 N 2.45 0.39 0.00 2.62 -1.51 -1.92 -2.50 116.25 115.78 1pt9 h VAL 153 Ca 0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.96 1pt9 h VAL 153 Cb 0.97 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 1pt9 h VAL 153 CO 0.92 0.00 0.00 4.11 -1.23 0.00 0.00 177.57 181.37 1pt9 h TRP 154 N 0.00 0.00 0.00 5.19 0.09 -1.91 -2.95 115.95 116.36 1pt9 h TRP 154 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.04 1pt9 h TRP 154 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.63 1pt9 h TRP 154 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 178.44 180.16 1pt9 n LYS 155 N -2.95 0.55 -2.19 0.12 5.02 -0.94 -4.82 118.16 112.95 1pt9 n LYS 155 Ca 0.01 0.03 -0.26 0.00 -2.02 0.00 0.00 58.31 56.07 1pt9 n LYS 155 Cb 0.32 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.89 1pt9 n LYS 155 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1pt9 s SER 156 N -2.27 4.89 0.04 4.39 0.01 -1.12 -4.04 113.70 115.59 1pt9 s SER 156 Ca 0.29 0.53 -0.28 0.00 1.31 0.00 0.00 55.95 57.80 1pt9 s SER 156 Cb 0.16 -1.20 -0.17 0.00 0.21 0.00 0.00 66.02 65.02 1pt9 s SER 156 CO 0.31 -1.56 1.38 0.11 0.41 0.00 0.00 173.24 173.89 1pt9 h LYS 157 N -0.60 -0.60 -5.20 12.44 6.56 -1.53 -3.45 116.57 124.19 1pt9 h LYS 157 Ca -0.45 0.04 -0.45 0.00 -1.06 0.00 0.00 60.65 58.74 1pt9 h LYS 157 Cb 1.31 0.14 -0.27 0.00 -0.57 0.00 0.00 32.23 32.84 1pt9 h LYS 157 CO 0.61 -0.32 -0.80 -1.14 -2.06 0.00 0.00 179.45 175.75 1pt9 s GLN 158 N -5.23 0.97 -0.05 3.15 2.00 -0.33 -4.80 119.66 115.36 1pt9 s GLN 158 Ca -0.15 -0.60 0.02 0.00 -2.00 0.00 0.00 55.36 52.63 1pt9 s GLN 158 Cb 0.03 -0.95 0.01 0.00 0.80 0.00 0.00 33.01 32.90 1pt9 s GLN 158 CO 0.56 0.25 -0.10 0.08 -0.50 0.00 0.00 175.29 175.58 1pt9 s VAL 159 N -0.58 0.92 -0.20 1.34 1.01 0.19 -1.00 120.40 122.08 1pt9 s VAL 159 Ca 0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 1pt9 s VAL 159 Cb -0.06 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.47 1pt9 s VAL 159 CO 0.00 0.30 -0.14 -0.63 0.00 0.00 0.00 175.10 174.64 1pt9 s ILE 160 N 0.62 2.50 -0.29 2.22 1.01 -0.48 0.32 121.20 127.10 1pt9 s ILE 160 Ca -0.11 -0.85 -0.13 0.00 0.00 0.00 0.00 60.65 59.55 1pt9 s ILE 160 Cb -0.14 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 1pt9 s ILE 160 CO 0.02 0.45 0.26 -0.69 0.00 0.00 0.00 174.94 174.98 1pt9 s VAL 161 N 1.34 5.26 -0.48 2.92 1.01 0.11 -1.28 120.40 129.29 1pt9 s VAL 161 Ca 0.04 0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.09 1pt9 s VAL 161 Cb -0.14 -3.63 0.11 0.00 0.00 0.00 0.00 36.38 32.72 1pt9 s VAL 161 CO -0.09 0.15 0.37 -0.04 0.00 0.00 0.00 175.10 175.49 1pt9 s MET 162 N 1.85 2.67 0.35 2.72 -1.94 0.16 -0.97 119.30 124.14 1pt9 s MET 162 Ca 0.09 -1.65 -0.08 0.00 -1.71 0.00 0.00 55.69 52.34 1pt9 s MET 162 Cb -0.16 -4.00 0.03 0.00 2.01 0.00 0.00 34.83 32.71 1pt9 s MET 162 CO 0.11 -1.16 0.60 0.36 -0.01 0.00 0.00 175.02 174.92 1pt9 n LYS 163 N 5.02 0.87 0.08 2.03 2.85 -1.24 -1.49 118.16 126.28 1pt9 n LYS 163 Ca -0.10 -2.29 0.03 0.00 -1.05 0.00 0.00 58.31 54.90 1pt9 n LYS 163 Cb 0.41 2.53 -0.03 0.00 -0.65 0.00 0.00 35.03 37.29 1pt9 n LYS 163 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1pt9 h ARG 164 N 0.00 0.00 0.00 -1.58 3.08 -1.89 0.62 114.38 114.61 1pt9 h ARG 164 Ca -0.28 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.73 1pt9 h ARG 164 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1pt9 h ARG 164 CO 0.37 0.28 0.00 -1.13 -1.07 0.00 0.00 179.97 178.42 1pt9 n SER 165 N -2.95 -0.32 -0.76 7.04 3.41 -1.26 -4.31 113.62 114.47 1pt9 n SER 165 Ca -0.04 -1.32 0.09 0.00 -0.26 0.00 0.00 58.87 57.33 1pt9 n SER 165 Cb 0.75 0.56 0.26 0.00 -0.26 0.00 0.00 64.21 65.51 1pt9 n SER 165 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1pt9 n LEU 166 N 0.00 2.23 -4.63 1.04 4.32 -1.26 -4.95 117.00 113.74 1pt9 n LEU 166 Ca -0.01 -1.04 -0.29 0.00 -0.02 0.00 0.00 56.01 54.65 1pt9 n LEU 166 Cb 0.11 -0.23 0.20 0.00 -1.62 0.00 0.00 43.42 41.88 1pt9 n LEU 166 CO 0.05 0.52 0.62 -0.83 -1.22 0.00 0.00 177.39 176.53 1pt9 s GLY 167 N -1.24 1.56 0.82 -0.72 0.00 -1.26 -4.82 107.32 101.65 1pt9 s GLY 167 Ca 0.31 -0.49 -0.14 0.00 0.00 0.00 0.00 44.72 44.40 1pt9 s GLY 167 CO 0.23 0.20 0.89 3.33 0.00 0.00 0.00 173.10 177.76 1pt9 n VAL 168 N -4.42 0.00 -3.32 1.40 0.24 -1.26 -4.91 118.33 106.06 1pt9 n VAL 168 Ca 0.06 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 1pt9 n VAL 168 Cb 0.58 -1.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.54 1pt9 n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pt9 n GLY 169 N -2.16 6.38 0.24 7.63 0.00 -1.26 -4.96 105.19 111.05 1pt9 n GLY 169 Ca 0.12 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1pt9 n GLY 169 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1pt9 h TYR 170 N 0.32 -0.22 0.00 1.61 3.20 -2.00 0.38 116.97 120.27 1pt9 h TYR 170 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1pt9 h TYR 170 Cb 0.00 0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1pt9 h TYR 170 CO 0.00 -0.23 0.00 0.00 -1.64 0.00 0.00 178.16 176.29 1pt9 n ALA 171 N -2.96 1.52 -3.67 1.82 0.00 -1.26 -4.89 120.51 111.07 1pt9 n ALA 171 Ca 0.08 -0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.26 1pt9 n ALA 171 Cb 0.34 -1.16 0.05 0.00 0.00 0.00 0.00 19.45 18.68 1pt9 n ALA 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pt9 n ALA 172 N -1.41 -1.80 -2.89 0.00 0.00 0.12 -5.01 120.51 109.51 1pt9 n ALA 172 Ca 0.03 -0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.29 1pt9 n ALA 172 Cb 0.10 -2.92 -0.15 0.00 0.00 0.00 0.00 19.45 16.49 1pt9 n ALA 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1pt9 s VAL 173 N -3.50 0.52 0.63 0.00 -7.23 -1.26 -4.97 120.40 104.59 1pt9 s VAL 173 Ca 0.19 -0.25 -0.18 0.00 -1.81 0.00 0.00 61.98 59.93 1pt9 s VAL 173 Cb -0.09 -0.46 -0.05 0.00 0.56 0.00 0.00 36.38 36.34 1pt9 s VAL 173 CO 0.79 0.16 0.77 -0.67 -0.31 0.00 0.00 175.10 175.84 1pt9 n ASP 174 N 3.12 -0.12 -4.15 4.85 4.64 -1.26 -4.53 116.55 119.10 1pt9 n ASP 174 Ca -0.15 0.73 -0.35 0.00 -1.38 0.00 0.00 54.79 53.64 1pt9 n ASP 174 Cb 0.56 -1.30 -0.14 0.00 -1.04 0.00 0.00 41.12 39.21 1pt9 n ASP 174 CO 0.00 0.00 0.00 0.21 -0.82 0.00 0.00 177.20 176.59 1pt9 s ASN 175 N -1.32 4.92 0.46 1.67 3.84 -1.26 -4.86 114.94 118.39 1pt9 s ASN 175 Ca 0.72 -1.42 0.19 0.00 0.21 0.00 0.00 52.86 52.56 1pt9 s ASN 175 Cb -0.40 -1.72 1.17 0.00 -0.55 0.00 0.00 41.25 39.74 1pt9 s ASN 175 CO 0.51 -0.30 1.94 -0.65 -2.79 0.00 0.00 177.10 175.81 1pt9 h PRO 176 N 7.98 0.27 0.00 0.43 0.11 -1.94 -2.97 132.00 135.88 1pt9 h PRO 176 Ca -0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1pt9 h PRO 176 Cb 1.06 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1pt9 h PRO 176 CO 0.55 0.18 0.05 -0.84 -0.21 0.00 0.00 178.00 177.73 1pt9 h ILE 177 N 0.28 0.00 0.00 4.15 3.07 -1.95 -0.63 117.51 122.44 1pt9 h ILE 177 Ca 0.34 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.75 1pt9 h ILE 177 Cb 0.92 0.65 0.00 0.00 -0.27 0.00 0.00 36.82 38.13 1pt9 h ILE 177 CO -0.08 0.00 0.00 -0.26 -1.05 0.00 0.00 178.15 176.76 1pt9 h PHE 178 N 0.00 0.00 -0.37 0.16 0.05 -1.92 -2.99 116.94 111.87 1pt9 h PHE 178 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1pt9 h PHE 178 Cb 0.10 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.05 1pt9 h PHE 178 CO 0.00 0.00 0.00 0.66 -0.18 0.00 0.00 178.31 178.79 1pt9 n TYR 179 N -2.91 0.52 -2.93 -0.55 4.02 -0.25 -4.32 117.16 110.74 1pt9 n TYR 179 Ca 0.01 -0.51 -0.37 0.00 -0.01 0.00 0.00 57.90 57.02 1pt9 n TYR 179 Cb 0.32 -0.04 -0.06 0.00 -0.02 0.00 0.00 39.34 39.54 1pt9 n TYR 179 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1pt9 s LYS 180 N -1.06 4.46 0.55 -0.72 1.02 -1.13 -4.12 119.74 118.74 1pt9 s LYS 180 Ca 0.26 1.13 0.30 0.00 0.02 0.00 0.00 55.97 57.68 1pt9 s LYS 180 Cb 0.14 -2.90 1.46 0.00 -0.52 0.00 0.00 37.83 36.01 1pt9 s LYS 180 CO 0.17 0.37 1.90 -1.00 -0.92 0.00 0.00 175.35 175.87 1pt9 h PRO 181 N 3.44 0.00 -0.66 -1.68 0.13 -1.91 -1.58 132.00 129.74 1pt9 h PRO 181 Ca -0.47 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.56 1pt9 h PRO 181 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1pt9 h PRO 181 CO 0.65 0.00 0.13 0.27 -0.23 0.00 0.00 178.00 178.82 1pt9 n ASN 182 N -4.13 5.38 -4.39 1.44 6.94 -1.26 -4.92 115.26 114.32 1pt9 n ASN 182 Ca 0.15 -3.06 -0.33 0.00 -0.02 0.00 0.00 54.58 51.31 1pt9 n ASN 182 Cb 0.84 -0.72 -0.14 0.00 -2.36 0.00 0.00 39.78 37.40 1pt9 n ASN 182 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1pt9 s THR 183 N -2.87 3.06 -0.06 5.53 2.01 -0.60 -0.64 115.64 122.07 1pt9 s THR 183 Ca 0.55 -0.67 0.06 0.00 0.31 0.00 0.00 61.69 61.94 1pt9 s THR 183 Cb 0.43 -2.27 -0.01 0.00 0.01 0.00 0.00 72.50 70.66 1pt9 s THR 183 CO 0.15 0.53 -0.24 0.00 -0.69 0.00 0.00 174.62 174.37 1pt9 s ALA 184 N 0.18 2.21 -0.31 7.40 0.00 0.15 -4.25 121.76 127.13 1pt9 s ALA 184 Ca -0.08 -1.03 -0.14 0.00 0.00 0.00 0.00 51.96 50.71 1pt9 s ALA 184 Cb -0.15 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 1pt9 s ALA 184 CO 0.05 0.41 0.33 -1.64 0.00 0.00 0.00 175.76 174.90 1pt9 s MET 185 N -0.14 3.74 -0.77 0.00 -1.94 0.22 0.09 119.30 120.49 1pt9 s MET 185 Ca -0.04 -0.30 -0.08 0.00 -1.71 0.00 0.00 55.69 53.56 1pt9 s MET 185 Cb -0.14 -3.74 0.20 0.00 2.01 0.00 0.00 34.83 33.16 1pt9 s MET 185 CO 0.04 -0.40 0.66 -1.17 -0.01 0.00 0.00 175.02 174.14 1pt9 s LEU 186 N 1.96 5.99 0.28 -0.03 0.20 -0.14 -1.09 118.68 125.85 1pt9 s LEU 186 Ca 0.11 -2.94 -0.29 0.00 0.69 0.00 0.00 54.13 51.71 1pt9 s LEU 186 Cb -0.16 -2.03 -0.09 0.00 -0.43 0.00 0.00 46.19 43.47 1pt9 s LEU 186 CO 0.11 -0.43 1.02 -0.76 -0.29 0.00 0.00 176.35 176.00 1pt9 s LEU 187 N -0.20 4.51 0.00 -0.68 1.43 -1.26 -3.64 118.68 118.84 1pt9 s LEU 187 Ca 0.19 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 1pt9 s LEU 187 Cb -0.14 -3.73 0.00 0.00 0.03 0.00 0.00 46.19 42.35 1pt9 s LEU 187 CO -0.07 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.05 1pt9 n GLY 188 N 1.12 3.35 3.73 -3.19 0.00 0.21 -4.96 105.19 105.45 1pt9 n GLY 188 Ca -0.00 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1pt9 n GLY 188 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pt9 n ASP 189 N 0.00 3.37 -0.16 1.61 2.03 -1.26 -3.66 116.55 118.47 1pt9 n ASP 189 Ca 0.00 1.19 0.04 0.00 0.52 0.00 0.00 54.79 56.54 1pt9 n ASP 189 Cb 0.00 -1.55 0.33 0.00 -0.72 0.00 0.00 41.12 39.18 1pt9 n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pt9 h ALA 190 N 3.37 1.61 -0.04 -1.67 0.00 -1.89 -1.93 119.26 118.71 1pt9 h ALA 190 Ca -0.48 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1pt9 h ALA 190 Cb 1.25 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1pt9 h ALA 190 CO 0.68 0.32 -0.15 -0.22 0.00 0.00 0.00 179.25 179.88 1pt9 h LYS 191 N 0.82 0.17 -0.64 0.00 3.64 -1.90 -0.21 116.57 118.46 1pt9 h LYS 191 Ca 0.27 -0.13 0.09 0.00 -1.27 0.00 0.00 60.65 59.60 1pt9 h LYS 191 Cb 0.05 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 1pt9 h LYS 191 CO -0.07 0.77 0.27 0.87 -2.27 0.00 0.00 179.45 179.02 1pt9 h LYS 192 N -0.39 0.47 0.15 1.90 1.57 -1.88 0.12 116.57 118.50 1pt9 h LYS 192 Ca -0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1pt9 h LYS 192 Cb 0.80 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1pt9 h LYS 192 CO 0.03 0.31 -0.07 1.15 -0.57 0.00 0.00 179.45 180.30 1pt9 h THR 193 N 0.48 0.98 0.00 -0.16 2.02 -1.36 -2.20 112.91 112.66 1pt9 h THR 193 Ca 0.32 -0.64 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1pt9 h THR 193 Cb 0.36 1.37 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1pt9 h THR 193 CO -0.28 0.15 -0.10 0.00 0.37 0.00 0.00 175.52 175.65 1pt9 h ASP 195 N 0.00 0.88 0.45 0.00 3.45 -0.71 -2.07 116.42 118.42 1pt9 h ASP 195 Ca -0.00 -0.54 -0.02 0.00 0.43 0.00 0.00 57.03 56.90 1pt9 h ASP 195 Cb 0.24 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.76 1pt9 h ASP 195 CO 0.01 1.33 -0.22 0.00 -1.57 0.00 0.00 179.24 178.80 1pt9 h ALA 196 N 0.67 -0.60 -0.15 3.45 0.00 -0.60 -1.96 119.26 120.06 1pt9 h ALA 196 Ca -0.03 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1pt9 h ALA 196 Cb 1.31 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.28 1pt9 h ALA 196 CO 0.14 -0.77 -0.19 -0.07 0.00 0.00 0.00 179.25 178.36 1pt9 h LEU 197 N -0.73 -0.60 -1.48 0.00 3.38 -1.14 -0.37 115.31 114.38 1pt9 h LEU 197 Ca -0.06 0.11 0.13 0.00 0.09 0.00 0.00 57.88 58.14 1pt9 h LEU 197 Cb 0.53 0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 1pt9 h LEU 197 CO 0.10 -0.24 0.51 -0.61 0.09 0.00 0.00 178.44 178.29 1pt9 h GLN 198 N -0.23 0.52 0.06 1.13 4.15 -1.38 0.49 115.11 119.86 1pt9 h GLN 198 Ca 0.11 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 1pt9 h GLN 198 Cb 0.39 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.96 1pt9 h GLN 198 CO -0.29 0.35 -0.03 0.00 -1.93 0.00 0.00 178.83 176.93 1pt9 h ALA 199 N 1.63 -0.08 0.00 3.38 0.00 -0.45 -2.89 119.26 120.86 1pt9 h ALA 199 Ca 0.37 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1pt9 h ALA 199 Cb 0.70 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1pt9 h ALA 199 CO -0.14 -0.22 -0.10 0.87 0.00 0.00 0.00 179.25 179.67 1pt9 h LYS 200 N -0.73 0.00 0.00 0.00 1.57 -0.81 -1.97 116.57 114.62 1pt9 h LYS 200 Ca -0.01 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1pt9 h LYS 200 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1pt9 h LYS 200 CO 0.01 0.10 -0.55 0.28 -0.57 0.00 0.00 179.45 178.72 1pt9 h VAL 201 N 0.00 1.03 -0.74 0.50 2.07 -0.94 -3.07 116.25 115.10 1pt9 h VAL 201 Ca -0.00 -2.21 -0.06 0.00 0.82 0.00 0.00 66.70 65.26 1pt9 h VAL 201 Cb 0.41 2.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 1pt9 h VAL 201 CO 0.01 0.54 0.24 -0.09 0.02 0.00 0.00 177.57 178.30 1pt9 h ARG 202 N 0.00 1.15 -3.08 1.57 9.65 -1.13 -3.17 114.38 119.37 1pt9 h ARG 202 Ca -0.01 -0.24 -0.43 0.00 -1.10 0.00 0.00 59.98 58.20 1pt9 h ARG 202 Cb 1.29 -0.17 0.01 0.00 -1.39 0.00 0.00 29.97 29.71 1pt9 h ARG 202 CO 0.07 0.97 2.52 0.39 2.80 0.00 0.00 179.97 186.72 1pt9 n GLU 203 N -4.27 2.50 0.00 0.20 1.02 -1.16 -5.13 120.64 113.80 1pt9 n GLU 203 Ca 0.06 -1.57 0.00 0.00 -0.02 0.00 0.00 57.16 55.63 1pt9 n GLU 203 Cb 0.22 -2.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.18 1pt9 n GLU 203 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74