#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pt9 s MET 24 N 0.00 1.99 -0.17 -0.52 1.75 -1.26 -5.14 119.30 115.95 1pt9 s MET 24 Ca 0.00 -1.52 -0.29 0.00 -1.25 0.00 0.00 55.69 52.62 1pt9 s MET 24 Cb 0.00 -2.00 0.12 0.00 2.84 0.00 0.00 34.83 35.79 1pt9 s MET 24 CO 0.00 0.37 0.98 -1.83 -0.65 0.00 0.00 175.02 173.88 1pt9 s GLU 25 N -3.42 0.62 -0.05 4.11 -1.05 -1.26 -5.17 118.70 112.48 1pt9 s GLU 25 Ca 0.29 0.24 -0.09 0.00 -0.15 0.00 0.00 54.97 55.25 1pt9 s GLU 25 Cb -0.06 0.29 0.02 0.00 -0.44 0.00 0.00 34.13 33.94 1pt9 s GLU 25 CO 0.17 -0.17 0.23 -1.50 0.95 0.00 0.00 175.26 174.94 1pt9 s ILE 26 N -0.87 0.03 0.37 1.83 2.07 -1.26 -5.18 121.20 118.20 1pt9 s ILE 26 Ca -0.02 -0.26 0.04 0.00 -1.41 0.00 0.00 60.65 59.00 1pt9 s ILE 26 Cb -0.01 -0.42 -0.06 0.00 0.13 0.00 0.00 42.46 42.10 1pt9 s ILE 26 CO 0.01 -0.14 0.05 -0.94 -1.91 0.00 0.00 174.94 172.01 1pt9 s SER 27 N -0.53 2.94 -0.05 4.50 1.04 -1.26 -5.15 113.70 115.18 1pt9 s SER 27 Ca -0.06 -1.45 -0.08 0.00 0.48 0.00 0.00 55.95 54.84 1pt9 s SER 27 Cb -0.04 0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.10 1pt9 s SER 27 CO 0.01 -0.65 0.20 -0.83 0.98 0.00 0.00 173.24 172.95 1pt9 s GLY 28 N -3.59 -0.11 -0.14 7.32 0.00 -1.26 -5.15 107.32 104.40 1pt9 s GLY 28 Ca 0.31 0.39 0.02 0.00 0.00 0.00 0.00 44.72 45.44 1pt9 s GLY 28 CO 0.15 0.28 -0.21 -1.59 0.00 0.00 0.00 173.10 171.73 1pt9 s THR 29 N -0.37 2.01 0.24 0.90 2.01 -1.26 -5.11 115.64 114.05 1pt9 s THR 29 Ca -0.05 -0.95 0.09 0.00 0.31 0.00 0.00 61.69 61.09 1pt9 s THR 29 Cb -0.03 -1.78 -0.05 0.00 0.01 0.00 0.00 72.50 70.65 1pt9 s THR 29 CO 0.01 0.54 -0.15 -1.38 -0.69 0.00 0.00 174.62 172.95 1pt9 s HIS 30 N 0.85 1.92 0.05 4.92 -3.43 -1.26 -4.43 115.29 113.91 1pt9 s HIS 30 Ca -0.06 -0.52 0.08 0.00 -0.80 0.00 0.00 55.06 53.76 1pt9 s HIS 30 Cb -0.15 -0.90 -0.03 0.00 -1.43 0.00 0.00 32.58 30.06 1pt9 s HIS 30 CO -0.02 0.46 -0.21 0.95 -2.00 0.00 0.00 174.74 173.91 1pt9 s THR 31 N -2.84 2.58 -0.06 -5.38 -4.23 -1.26 -5.05 115.64 99.40 1pt9 s THR 31 Ca 0.26 -1.31 0.05 0.00 -1.18 0.00 0.00 61.69 59.51 1pt9 s THR 31 Cb -0.01 -2.08 -0.01 0.00 1.34 0.00 0.00 72.50 71.74 1pt9 s THR 31 CO 0.10 0.31 -0.22 -1.61 -0.54 0.00 0.00 174.62 172.66 1pt9 s GLU 32 N -1.49 2.33 0.42 3.99 2.02 -1.26 -0.22 118.70 124.50 1pt9 s GLU 32 Ca 0.14 -0.80 0.07 0.00 0.02 0.00 0.00 54.97 54.41 1pt9 s GLU 32 Cb -0.10 -1.96 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 1pt9 s GLU 32 CO 0.05 0.31 0.25 0.96 0.02 0.00 0.00 175.26 176.84 1pt9 s ILE 33 N -0.03 2.37 0.46 -1.63 -4.36 -0.91 -4.90 121.20 112.21 1pt9 s ILE 33 Ca -0.06 -1.59 0.07 0.00 -0.26 0.00 0.00 60.65 58.82 1pt9 s ILE 33 Cb -0.14 -2.95 0.00 0.00 1.25 0.00 0.00 42.46 40.62 1pt9 s ILE 33 CO 0.04 0.00 0.42 0.54 0.24 0.00 0.00 174.94 176.18 1pt9 s ASN 34 N -3.99 4.95 0.14 4.36 2.20 -1.26 -4.66 114.94 116.68 1pt9 s ASN 34 Ca 0.42 -0.88 -0.26 0.00 -0.94 0.00 0.00 52.86 51.21 1pt9 s ASN 34 Cb 0.02 -0.25 -0.02 0.00 -2.00 0.00 0.00 41.25 38.99 1pt9 s ASN 34 CO 0.24 -0.83 1.61 0.25 -2.94 0.00 0.00 177.10 175.44 1pt9 h LEU 35 N 0.88 -0.97 -0.67 3.54 5.85 -2.00 -0.06 115.31 121.89 1pt9 h LEU 35 Ca -0.39 0.14 0.11 0.00 0.84 0.00 0.00 57.88 58.58 1pt9 h LEU 35 Cb 1.28 0.41 -0.08 0.00 0.37 0.00 0.00 40.66 42.64 1pt9 h LEU 35 CO 0.56 -0.35 0.27 0.44 -0.34 0.00 0.00 178.44 179.01 1pt9 h ASP 36 N -0.39 0.27 -0.60 1.25 5.19 -2.00 0.23 116.42 120.37 1pt9 h ASP 36 Ca 0.09 0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.56 1pt9 h ASP 36 Cb 0.54 0.06 -0.03 0.00 0.18 0.00 0.00 39.33 40.08 1pt9 h ASP 36 CO -0.34 0.14 0.28 -1.13 -3.12 0.00 0.00 179.24 175.07 1pt9 h ASN 37 N 0.44 0.82 -0.07 6.45 -0.73 -1.81 -2.56 115.58 118.12 1pt9 h ASN 37 Ca 0.35 -0.10 -0.00 0.00 1.87 0.00 0.00 56.30 58.42 1pt9 h ASN 37 Cb 0.46 -0.21 -0.00 0.00 0.27 0.00 0.00 38.32 38.83 1pt9 h ASN 37 CO -0.34 0.72 0.04 0.00 -0.37 0.00 0.00 177.43 177.48 1pt9 h ALA 38 N 1.41 0.10 -0.68 1.57 0.00 0.13 -2.44 119.26 119.34 1pt9 h ALA 38 Ca 0.22 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.19 1pt9 h ALA 38 Cb 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1pt9 h ALA 38 CO -0.02 -0.37 0.45 0.82 0.00 0.00 0.00 179.25 180.13 1pt9 h ILE 39 N 0.03 0.88 0.32 0.00 5.03 -0.78 -1.69 117.51 121.30 1pt9 h ILE 39 Ca 0.03 -0.16 -0.02 0.00 -0.12 0.00 0.00 64.86 64.59 1pt9 h ILE 39 Cb 0.08 0.36 0.00 0.00 -3.03 0.00 0.00 36.82 34.23 1pt9 h ILE 39 CO -0.00 0.09 -0.16 0.44 -0.68 0.00 0.00 178.15 177.84 1pt9 h ASP 40 N 0.48 -0.37 -0.71 1.72 3.45 -1.05 0.44 116.42 120.37 1pt9 h ASP 40 Ca 0.32 -0.07 0.06 0.00 0.43 0.00 0.00 57.03 57.78 1pt9 h ASP 40 Cb 0.61 0.10 -0.04 0.00 -0.56 0.00 0.00 39.33 39.43 1pt9 h ASP 40 CO -0.10 -0.16 0.47 0.24 -1.57 0.00 0.00 179.24 178.11 1pt9 h MET 41 N -0.56 0.71 -0.07 3.56 2.86 -1.15 0.28 114.93 120.57 1pt9 h MET 41 Ca -0.04 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 1pt9 h MET 41 Cb 0.41 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1pt9 h MET 41 CO 0.07 0.47 -0.19 0.82 1.06 0.00 0.00 176.91 179.14 1pt9 h ILE 42 N 0.74 1.43 0.00 -1.22 2.04 -1.04 -0.90 117.51 118.56 1pt9 h ILE 42 Ca 0.30 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 1pt9 h ILE 42 Cb 0.26 2.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1pt9 h ILE 42 CO -0.10 0.44 -0.06 0.03 0.00 0.00 0.00 178.15 178.46 1pt9 h ARG 43 N -0.26 0.00 0.01 2.37 2.47 0.34 -3.11 114.38 116.20 1pt9 h ARG 43 Ca -0.01 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.43 1pt9 h ARG 43 Cb 0.81 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.08 1pt9 h ARG 43 CO 0.04 0.06 -1.62 1.49 0.56 0.00 0.00 179.97 180.51 1pt9 h GLU 44 N 0.00 0.02 -6.88 0.04 4.81 -0.42 -3.47 114.58 108.67 1pt9 h GLU 44 Ca -0.00 -0.03 -0.50 0.00 -0.13 0.00 0.00 59.36 58.71 1pt9 h GLU 44 Cb 0.56 0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.98 1pt9 h GLU 44 CO 0.01 0.60 0.46 0.00 -0.73 0.00 0.00 179.01 179.35 1pt9 s ALA 45 N -2.61 3.26 -0.20 2.92 0.00 -0.35 -4.98 121.76 119.80 1pt9 s ALA 45 Ca -0.05 0.85 -0.08 0.00 0.00 0.00 0.00 51.96 52.68 1pt9 s ALA 45 Cb 0.08 -3.32 -0.20 0.00 0.00 0.00 0.00 23.12 19.68 1pt9 s ALA 45 CO 0.82 -0.25 0.06 0.09 0.00 0.00 0.00 175.76 176.48 1pt9 n ASN 46 N 0.58 2.01 -4.26 0.00 3.02 -1.26 -4.89 115.26 110.45 1pt9 n ASN 46 Ca 0.02 0.17 -0.33 0.00 -0.03 0.00 0.00 54.58 54.41 1pt9 n ASN 46 Cb 0.47 -0.75 -0.15 0.00 -0.61 0.00 0.00 39.78 38.73 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 -6.93 3.63 0.05 6.41 1.04 -1.26 -1.85 113.70 114.79 1pt9 s SER 47 Ca -0.30 -0.47 0.08 0.00 0.48 0.00 0.00 55.95 55.74 1pt9 s SER 47 Cb 0.08 -1.56 -0.03 0.00 0.10 0.00 0.00 66.02 64.62 1pt9 s SER 47 CO 0.65 0.09 -0.21 -0.63 0.98 0.00 0.00 173.24 174.11 1pt9 s ILE 48 N 0.80 1.72 -0.08 -1.02 1.01 0.10 -1.94 121.20 121.80 1pt9 s ILE 48 Ca -0.06 -1.25 0.01 0.00 0.00 0.00 0.00 60.65 59.35 1pt9 s ILE 48 Cb -0.15 -1.50 0.02 0.00 0.01 0.00 0.00 42.46 40.84 1pt9 s ILE 48 CO 0.00 0.20 -0.08 -0.63 0.00 0.00 0.00 174.94 174.44 1pt9 s ILE 49 N -0.83 0.88 -0.24 2.92 1.01 0.03 -2.02 121.20 122.95 1pt9 s ILE 49 Ca 0.08 -0.27 -0.07 0.00 0.00 0.00 0.00 60.65 60.39 1pt9 s ILE 49 Cb -0.09 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 1pt9 s ILE 49 CO 0.02 0.32 0.06 -0.63 0.00 0.00 0.00 174.94 174.71 1pt9 s ILE 50 N 1.22 4.25 -0.45 2.92 1.01 0.92 -1.18 121.20 129.88 1pt9 s ILE 50 Ca -0.05 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 1pt9 s ILE 50 Cb -0.14 -2.98 0.12 0.00 0.01 0.00 0.00 42.46 39.47 1pt9 s ILE 50 CO -0.02 0.36 0.27 0.42 0.00 0.00 0.00 174.94 175.97 1pt9 s THR 51 N 1.51 3.62 0.57 2.92 -4.23 -0.79 -0.69 115.64 118.54 1pt9 s THR 51 Ca 0.06 -2.05 -0.07 0.00 -1.18 0.00 0.00 61.69 58.45 1pt9 s THR 51 Cb -0.15 -3.44 -0.02 0.00 1.34 0.00 0.00 72.50 70.24 1pt9 s THR 51 CO 0.03 -0.74 0.90 -2.16 -0.54 0.00 0.00 174.62 172.11 1pt9 s PRO 52 N 1.10 3.25 0.00 3.99 0.04 -1.26 -2.21 135.00 139.91 1pt9 s PRO 52 Ca 0.08 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.36 1pt9 s PRO 52 Cb -0.23 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1pt9 s PRO 52 CO -0.03 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.89 1pt9 n GLY 53 N -2.54 3.99 0.35 0.56 0.00 -0.62 -4.77 105.19 102.17 1pt9 n GLY 53 Ca 0.04 -1.07 0.15 0.00 0.00 0.00 0.00 46.02 45.14 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 0.03 1.02 -0.82 1.61 5.03 -1.72 -2.09 116.97 120.03 1pt9 h TYR 54 Ca 0.00 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.39 1pt9 h TYR 54 Cb 0.00 -0.30 -0.05 0.00 1.55 0.00 0.00 36.73 37.92 1pt9 h TYR 54 CO 0.00 0.16 0.52 0.78 -1.32 0.00 0.00 178.16 178.30 1pt9 h GLY 55 N 0.67 1.20 1.54 1.82 0.00 -0.81 -1.25 103.07 106.24 1pt9 h GLY 55 Ca 0.61 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 1pt9 h GLY 55 CO -0.41 0.31 0.18 -2.00 0.00 0.00 0.00 176.54 174.62 1pt9 h LEU 56 N 0.99 0.54 0.44 3.11 6.46 -1.50 -1.96 115.31 123.39 1pt9 h LEU 56 Ca 0.34 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 58.02 1pt9 h LEU 56 Cb 0.06 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 39.86 1pt9 h LEU 56 CO -0.13 0.49 -0.21 0.00 -0.62 0.00 0.00 178.44 177.96 1pt9 h ALA 58 N -0.79 2.12 0.00 0.00 0.00 -1.13 0.11 119.26 119.56 1pt9 h ALA 58 Ca -0.06 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pt9 h ALA 58 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1pt9 h ALA 58 CO 0.10 -0.51 -0.53 0.00 0.00 0.00 0.00 179.25 178.31 1pt9 h ALA 59 N 1.63 0.65 -5.20 0.00 0.00 -1.36 -3.48 119.26 111.50 1pt9 h ALA 59 Ca 0.58 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 55.18 1pt9 h ALA 59 Cb 1.36 0.00 0.14 0.00 0.00 0.00 0.00 17.79 19.29 1pt9 h ALA 59 CO -0.31 0.00 -0.64 1.63 0.00 0.00 0.00 179.25 179.93 1pt9 n LYS 60 N -2.18 -6.27 -0.55 0.00 4.76 0.38 -4.57 118.16 109.73 1pt9 n LYS 60 Ca 0.03 0.73 0.06 0.00 -2.87 0.00 0.00 58.31 56.27 1pt9 n LYS 60 Cb 0.44 -5.45 0.27 0.00 -1.84 0.00 0.00 35.03 28.46 1pt9 n LYS 60 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pt9 n ALA 61 N -4.12 3.22 -0.11 7.82 0.00 -0.62 -4.42 120.51 122.27 1pt9 n ALA 61 Ca -0.15 -1.25 -0.08 0.00 0.00 0.00 0.00 53.44 51.97 1pt9 n ALA 61 Cb 0.61 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 2.91 0.45 0.90 0.00 7.50 -1.91 -2.94 115.11 122.02 1pt9 h GLN 62 Ca 0.00 -0.03 -0.04 0.00 0.50 0.00 0.00 58.65 59.08 1pt9 h GLN 62 Cb 1.34 -0.10 0.00 0.00 0.05 0.00 0.00 27.48 28.77 1pt9 h GLN 62 CO 0.26 0.30 -0.49 1.88 -1.50 0.00 0.00 178.83 179.28 1pt9 h TYR 63 N 0.46 -1.28 -0.68 2.96 0.05 -1.90 -1.45 116.97 115.13 1pt9 h TYR 63 Ca 0.14 -0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.93 1pt9 h TYR 63 Cb -0.02 0.44 -0.04 0.00 1.01 0.00 0.00 36.73 38.11 1pt9 h TYR 63 CO -0.06 -0.75 0.42 -1.00 -1.05 0.00 0.00 178.16 175.71 1pt9 h PRO 64 N -1.27 0.79 0.00 4.88 0.13 -1.88 -0.96 132.00 133.69 1pt9 h PRO 64 Ca -0.12 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.92 1pt9 h PRO 64 Cb 1.00 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 1pt9 h PRO 64 CO 0.16 0.53 -0.21 0.97 -0.23 0.00 0.00 178.00 179.22 1pt9 h ILE 65 N 0.82 0.86 -0.16 -3.56 6.09 -1.55 -1.24 117.51 118.76 1pt9 h ILE 65 Ca 0.27 -0.81 -0.19 0.00 -1.37 0.00 0.00 64.86 62.76 1pt9 h ILE 65 Cb 0.03 1.47 0.01 0.00 0.47 0.00 0.00 36.82 38.80 1pt9 h ILE 65 CO -0.11 0.21 -0.66 0.00 -3.07 0.00 0.00 178.15 174.52 1pt9 h ALA 66 N 1.79 0.30 -0.22 0.18 0.00 -0.37 -1.48 119.26 119.45 1pt9 h ALA 66 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1pt9 h ALA 66 Cb 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1pt9 h ALA 66 CO 0.03 0.59 0.11 -0.44 0.00 0.00 0.00 179.25 179.54 1pt9 h ASP 67 N 0.44 0.28 0.06 0.00 3.45 -0.72 -1.24 116.42 118.69 1pt9 h ASP 67 Ca -0.04 -0.10 0.01 0.00 0.43 0.00 0.00 57.03 57.33 1pt9 h ASP 67 Cb 1.29 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.96 1pt9 h ASP 67 CO 0.14 0.31 -0.14 0.25 -1.57 0.00 0.00 179.24 178.22 1pt9 h LEU 68 N 0.24 -0.39 -1.77 1.55 5.85 -1.23 -1.60 115.31 117.95 1pt9 h LEU 68 Ca 0.08 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.92 1pt9 h LEU 68 Cb 0.09 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1pt9 h LEU 68 CO -0.01 -0.21 0.30 0.58 -0.34 0.00 0.00 178.44 178.76 1pt9 h VAL 69 N -0.27 0.92 0.27 1.05 2.07 -1.11 -1.35 116.25 117.83 1pt9 h VAL 69 Ca 0.03 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1pt9 h VAL 69 Cb 0.30 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1pt9 h VAL 69 CO -0.09 0.05 -0.13 0.50 0.02 0.00 0.00 177.57 177.92 1pt9 h LYS 70 N 0.27 -0.34 -0.36 1.57 3.64 -0.29 -2.28 116.57 118.79 1pt9 h LYS 70 Ca 0.20 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.64 1pt9 h LYS 70 Cb 0.42 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 1pt9 h LYS 70 CO -0.04 -0.09 0.15 0.52 -2.27 0.00 0.00 179.45 177.72 1pt9 h MET 71 N -0.56 0.30 0.00 1.90 2.86 -0.69 -2.21 114.93 116.54 1pt9 h MET 71 Ca -0.04 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1pt9 h MET 71 Cb 0.41 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1pt9 h MET 71 CO 0.06 0.20 -0.09 -0.07 1.06 0.00 0.00 176.91 178.07 1pt9 h LEU 72 N 0.31 0.00 -0.33 1.22 3.38 -1.29 -1.68 115.31 116.93 1pt9 h LEU 72 Ca 0.16 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 1pt9 h LEU 72 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1pt9 h LEU 72 CO -0.14 0.09 -0.63 0.74 0.09 0.00 0.00 178.44 178.60 1pt9 h THR 73 N 0.00 1.18 -0.00 0.22 2.02 -0.83 -2.07 112.91 113.43 1pt9 h THR 73 Ca -0.00 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.80 1pt9 h THR 73 Cb 0.17 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 1pt9 h THR 73 CO 0.01 0.61 -0.01 -0.62 0.37 0.00 0.00 175.52 175.89 1pt9 n GLU 74 N -3.41 0.91 -0.53 6.66 1.02 -0.65 -2.80 120.64 121.83 1pt9 n GLU 74 Ca 0.00 -0.07 0.05 0.00 -0.02 0.00 0.00 57.16 57.13 1pt9 n GLU 74 Cb 0.72 -1.50 0.25 0.00 -0.02 0.00 0.00 31.44 30.89 1pt9 n GLU 74 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1pt9 n GLN 75 N -0.98 2.70 -0.70 3.49 1.13 -1.05 -4.94 117.38 117.01 1pt9 n GLN 75 Ca 0.21 -2.91 0.00 0.00 -1.94 0.00 0.00 57.00 52.36 1pt9 n GLN 75 Cb 0.16 -1.85 0.00 0.00 0.11 0.00 0.00 30.24 28.66 1pt9 n GLN 75 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1pt9 n GLY 76 N -0.65 1.07 3.78 1.08 0.00 -1.12 -5.00 105.19 104.35 1pt9 n GLY 76 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.19 4.29 -0.52 1.61 1.02 -0.80 -5.01 119.74 120.13 1pt9 s LYS 77 Ca 0.00 1.51 -0.18 0.00 0.02 0.00 0.00 55.97 57.31 1pt9 s LYS 77 Cb 0.00 -2.65 0.07 0.00 -0.52 0.00 0.00 37.83 34.74 1pt9 s LYS 77 CO 0.00 -0.03 0.61 0.21 -0.92 0.00 0.00 175.35 175.22 1pt9 s LYS 78 N -2.32 3.08 -0.17 1.68 2.20 -0.77 -4.26 119.74 119.18 1pt9 s LYS 78 Ca 0.55 -1.08 0.01 0.00 -0.36 0.00 0.00 55.97 55.09 1pt9 s LYS 78 Cb -0.22 -4.15 0.01 0.00 -1.51 0.00 0.00 37.83 31.96 1pt9 s LYS 78 CO 0.28 -1.27 -0.18 0.08 -0.36 0.00 0.00 175.35 173.90 1pt9 s VAL 79 N 2.47 2.29 0.06 4.02 1.01 -1.26 0.01 120.40 129.00 1pt9 s VAL 79 Ca 0.12 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1pt9 s VAL 79 Cb -0.21 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1pt9 s VAL 79 CO 0.10 0.53 -0.05 -0.13 0.00 0.00 0.00 175.10 175.54 1pt9 s ARG 80 N 1.11 0.61 0.07 2.72 0.52 -0.86 -4.95 118.95 118.17 1pt9 s ARG 80 Ca 0.00 -1.07 0.01 0.00 -0.52 0.00 0.00 55.73 54.15 1pt9 s ARG 80 Cb -0.14 0.00 -0.04 0.00 0.52 0.00 0.00 34.95 35.29 1pt9 s ARG 80 CO -0.07 -0.05 0.15 -0.06 0.02 0.00 0.00 175.30 175.29 1pt9 s PHE 81 N -3.02 3.37 -0.28 -0.53 0.40 -0.39 -0.05 117.98 117.47 1pt9 s PHE 81 Ca 0.02 0.17 0.03 0.00 -0.60 0.00 0.00 56.93 56.55 1pt9 s PHE 81 Cb 0.01 -1.69 0.07 0.00 0.51 0.00 0.00 43.02 41.92 1pt9 s PHE 81 CO -0.05 0.56 -0.07 0.20 0.70 0.00 0.00 175.22 176.55 1pt9 s GLY 82 N -2.47 1.72 -0.25 4.36 0.00 0.13 -2.14 107.32 108.67 1pt9 s GLY 82 Ca 0.32 -1.95 -0.12 0.00 0.00 0.00 0.00 44.72 42.97 1pt9 s GLY 82 CO 0.25 0.70 0.25 -0.42 0.00 0.00 0.00 173.10 173.88 1pt9 s ILE 83 N 1.06 5.28 0.24 0.90 -1.09 -0.34 -4.31 121.20 122.95 1pt9 s ILE 83 Ca -0.04 0.34 -0.30 0.00 -2.23 0.00 0.00 60.65 58.42 1pt9 s ILE 83 Cb -0.20 -3.59 -0.09 0.00 -1.58 0.00 0.00 42.46 37.01 1pt9 s ILE 83 CO -0.06 0.26 1.02 -2.28 -1.23 0.00 0.00 174.94 172.66 1pt9 s HIS 84 N 1.53 3.77 0.40 3.97 2.46 -1.26 -0.85 115.29 125.31 1pt9 s HIS 84 Ca 0.11 1.79 0.16 0.00 0.47 0.00 0.00 55.06 57.59 1pt9 s HIS 84 Cb -0.15 -3.14 1.03 0.00 -0.13 0.00 0.00 32.58 30.19 1pt9 s HIS 84 CO 0.08 -0.07 1.84 -1.00 -2.47 0.00 0.00 174.74 173.12 1pt9 h PRO 85 N 4.18 0.46 -0.76 2.88 0.13 -1.97 -1.84 132.00 135.07 1pt9 h PRO 85 Ca -0.46 -0.03 -0.54 0.00 -0.87 0.00 0.00 66.00 64.11 1pt9 h PRO 85 Cb 1.21 -0.10 -0.35 0.00 0.13 0.00 0.00 31.00 31.88 1pt9 h PRO 85 CO 0.68 0.30 -0.29 1.55 -0.23 0.00 0.00 178.00 180.02 1pt9 n VAL 86 N -4.54 2.83 -2.84 1.56 3.14 -1.26 -4.33 118.33 112.88 1pt9 n VAL 86 Ca 0.20 -3.71 -0.38 0.00 -2.96 0.00 0.00 64.34 57.49 1pt9 n VAL 86 Cb 0.67 -1.05 -0.06 0.00 -1.06 0.00 0.00 33.84 32.34 1pt9 n VAL 86 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pt9 s ALA 87 N -3.62 3.29 0.00 1.55 0.00 -0.69 -4.83 121.76 117.46 1pt9 s ALA 87 Ca 0.54 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1pt9 s ALA 87 Cb 0.44 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.45 1pt9 s ALA 87 CO 0.02 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.41 1pt9 n GLY 88 N 0.86 0.02 0.00 0.00 0.00 -1.26 -4.40 105.19 100.41 1pt9 n GLY 88 Ca -0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 5.07 0.59 -3.81 1.61 5.12 -1.26 -4.77 116.66 119.20 1pt9 n ARG 89 Ca 0.00 -0.74 -0.12 0.00 -1.93 0.00 0.00 57.85 55.05 1pt9 n ARG 89 Cb 0.00 -0.85 -0.10 0.00 -1.16 0.00 0.00 32.46 30.35 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 -0.32 0.54 0.23 5.56 -1.94 -1.26 -5.09 119.30 117.02 1pt9 s MET 90 Ca 0.00 -0.22 -0.32 0.00 -1.71 0.00 0.00 55.69 53.44 1pt9 s MET 90 Cb 0.00 0.24 -0.12 0.00 2.01 0.00 0.00 34.83 36.95 1pt9 s MET 90 CO 0.00 -0.14 1.61 -2.30 -0.01 0.00 0.00 175.02 174.19 1pt9 n PRO 91 N 1.54 2.55 -1.95 2.03 -0.02 -1.26 -1.77 135.00 136.12 1pt9 n PRO 91 Ca -0.21 0.91 -0.19 0.00 -2.02 0.00 0.00 63.50 61.99 1pt9 n PRO 91 Cb 0.56 -2.70 -0.05 0.00 -0.02 0.00 0.00 33.50 31.29 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 3.01 0.77 0.25 -1.23 0.00 -1.26 -4.87 105.19 101.85 1pt9 n GLY 92 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 0.85 -0.30 1.61 4.15 -1.60 -2.82 115.11 117.00 1pt9 h GLN 93 Ca -0.42 -0.29 -0.06 0.00 0.77 0.00 0.00 58.65 58.64 1pt9 h GLN 93 Cb 1.30 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.90 1pt9 h GLN 93 CO 0.56 0.91 -0.09 -0.07 -1.93 0.00 0.00 178.83 178.22 1pt9 h LEU 94 N 0.69 0.47 -0.71 -2.39 -0.00 -1.83 -2.34 115.31 109.20 1pt9 h LEU 94 Ca 0.13 -0.11 -0.02 0.00 -0.00 0.00 0.00 57.88 57.88 1pt9 h LEU 94 Cb 0.56 -0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 41.06 1pt9 h LEU 94 CO 0.03 0.60 0.36 0.78 -0.00 0.00 0.00 178.44 180.21 1pt9 h ASN 95 N 0.46 0.91 -0.18 -0.43 4.21 -1.92 -1.23 115.58 117.40 1pt9 h ASN 95 Ca 0.09 -0.12 -0.02 0.00 1.21 0.00 0.00 56.30 57.46 1pt9 h ASN 95 Cb 0.44 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.40 1pt9 h ASN 95 CO 0.02 0.77 0.04 0.58 -1.29 0.00 0.00 177.43 177.55 1pt9 h VAL 96 N 0.99 1.22 -0.83 2.81 2.07 -1.23 -1.43 116.25 119.84 1pt9 h VAL 96 Ca 0.25 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 1pt9 h VAL 96 Cb 0.09 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1pt9 h VAL 96 CO -0.03 0.21 0.39 -0.07 0.02 0.00 0.00 177.57 178.09 1pt9 h LEU 97 N 0.10 1.10 -0.31 2.57 3.38 -1.27 -0.43 115.31 120.45 1pt9 h LEU 97 Ca 0.06 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1pt9 h LEU 97 Cb 0.29 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1pt9 h LEU 97 CO 0.00 0.94 -0.05 -0.07 0.09 0.00 0.00 178.44 179.35 1pt9 h LEU 98 N 1.19 0.58 -1.39 1.67 3.38 -1.15 -2.49 115.31 117.10 1pt9 h LEU 98 Ca 0.29 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1pt9 h LEU 98 Cb 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1pt9 h LEU 98 CO -0.03 0.79 0.22 0.00 0.09 0.00 0.00 178.44 179.51 1pt9 h ALA 99 N 0.81 1.53 0.00 1.53 0.00 -1.00 -0.83 119.26 121.30 1pt9 h ALA 99 Ca 0.08 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1pt9 h ALA 99 Cb 0.52 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1pt9 h ALA 99 CO 0.03 0.38 -0.30 1.49 0.00 0.00 0.00 179.25 180.85 1pt9 h GLU 100 N 0.64 0.00 0.00 0.00 4.81 -0.79 -2.21 114.58 117.02 1pt9 h GLU 100 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1pt9 h GLU 100 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1pt9 h GLU 100 CO -0.02 0.30 -0.22 0.00 -0.73 0.00 0.00 179.01 178.33 1pt9 h ALA 101 N 1.70 0.86 0.00 2.92 0.00 -0.73 -3.48 119.26 120.53 1pt9 h ALA 101 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pt9 h ALA 101 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1pt9 h ALA 101 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1pt9 n GLY 102 N 1.29 0.76 3.72 0.00 0.00 -0.79 -4.90 105.19 105.26 1pt9 n GLY 102 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1pt9 n GLY 102 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pt9 n VAL 103 N -0.98 1.05 -1.91 1.61 0.31 -0.97 -4.89 118.33 112.56 1pt9 n VAL 103 Ca 0.00 -0.26 -0.42 0.00 -0.01 0.00 0.00 64.34 63.65 1pt9 n VAL 103 Cb 0.00 -1.78 -0.03 0.00 -0.91 0.00 0.00 33.84 31.13 1pt9 n VAL 103 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1pt9 s PRO 104 N -0.54 4.18 0.58 5.55 0.02 -1.26 -4.59 135.00 138.94 1pt9 s PRO 104 Ca 0.65 2.33 0.30 0.00 0.02 0.00 0.00 61.00 64.30 1pt9 s PRO 104 Cb -0.55 -3.88 1.43 0.00 0.02 0.00 0.00 34.50 31.52 1pt9 s PRO 104 CO 0.50 -0.83 1.83 1.88 -0.33 0.00 0.00 177.00 180.05 1pt9 h TYR 105 N 9.32 0.00 0.00 6.54 -1.99 -1.93 0.23 116.97 129.14 1pt9 h TYR 105 Ca -0.43 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.27 1pt9 h TYR 105 Cb 1.20 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.92 1pt9 h TYR 105 CO 0.86 0.00 -0.16 0.38 -0.00 0.00 0.00 178.16 179.24 1pt9 h ASP 106 N 0.00 0.00 -0.18 3.88 2.03 -2.02 -2.98 116.42 117.14 1pt9 h ASP 106 Ca 0.29 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.59 1pt9 h ASP 106 Cb 1.49 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.99 1pt9 h ASP 106 CO -0.00 0.16 0.00 2.30 -1.03 0.00 0.00 179.24 180.67 1pt9 n ILE 107 N -3.36 0.23 -3.42 4.15 -5.35 0.07 -4.78 119.36 106.88 1pt9 n ILE 107 Ca -0.00 -0.61 -0.44 0.00 -0.27 0.00 0.00 62.75 61.43 1pt9 n ILE 107 Cb 0.37 1.26 -0.07 0.00 -1.74 0.00 0.00 39.64 39.45 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 -1.71 4.93 0.22 7.28 1.01 -1.13 -1.26 120.40 129.75 1pt9 s VAL 108 Ca 0.31 -1.34 0.07 0.00 0.00 0.00 0.00 61.98 61.03 1pt9 s VAL 108 Cb 0.20 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1pt9 s VAL 108 CO 0.30 -0.68 0.10 -0.76 0.00 0.00 0.00 175.10 174.06 1pt9 s LEU 109 N 1.56 3.57 0.41 3.92 1.02 -0.91 -4.98 118.68 123.28 1pt9 s LEU 109 Ca 0.04 -0.34 -0.08 0.00 0.02 0.00 0.00 54.13 53.77 1pt9 s LEU 109 Cb -0.26 -2.14 -0.05 0.00 0.02 0.00 0.00 46.19 43.75 1pt9 s LEU 109 CO 0.04 0.02 0.74 -1.61 0.02 0.00 0.00 176.35 175.56 1pt9 s GLU 110 N -3.45 3.68 0.19 1.70 0.41 -1.26 -1.19 118.70 118.78 1pt9 s GLU 110 Ca 0.31 0.32 -0.22 0.00 -0.41 0.00 0.00 54.97 54.97 1pt9 s GLU 110 Cb -0.08 -2.42 0.12 0.00 -1.78 0.00 0.00 34.13 29.96 1pt9 s GLU 110 CO 0.22 -0.05 1.58 1.98 -0.49 0.00 0.00 175.26 178.49 1pt9 h MET 111 N 0.99 -0.15 -0.06 1.61 1.85 -1.32 -0.67 114.93 117.17 1pt9 h MET 111 Ca -0.47 0.01 0.02 0.00 -0.61 0.00 0.00 59.70 58.65 1pt9 h MET 111 Cb 1.19 0.03 -0.00 0.00 0.43 0.00 0.00 31.60 33.26 1pt9 h MET 111 CO 0.63 -0.10 0.09 -0.44 -0.40 0.00 0.00 176.91 176.70 1pt9 h ASP 112 N -0.16 0.00 0.50 1.39 3.32 -1.95 0.11 116.42 119.63 1pt9 h ASP 112 Ca 0.23 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.99 1pt9 h ASP 112 Cb 0.56 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.06 1pt9 h ASP 112 CO -0.72 0.00 -1.70 1.21 -1.72 0.00 0.00 179.24 176.31 1pt9 n GLU 113 N -3.59 0.63 -0.00 3.56 2.13 -0.30 -4.44 120.64 118.63 1pt9 n GLU 113 Ca -0.01 0.30 0.08 0.00 0.66 0.00 0.00 57.16 58.19 1pt9 n GLU 113 Cb 0.18 -1.80 -0.11 0.00 0.27 0.00 0.00 31.44 29.98 1pt9 n GLU 113 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 1pt9 n ILE 114 N -3.05 0.00 -0.22 6.31 3.06 -0.95 -4.60 119.36 119.90 1pt9 n ILE 114 Ca -0.17 -0.28 0.18 0.00 -2.50 0.00 0.00 62.75 59.98 1pt9 n ILE 114 Cb 1.05 0.44 0.51 0.00 0.54 0.00 0.00 39.64 42.17 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 0.41 0.04 9.51 -1.24 -1.01 0.98 115.58 124.27 1pt9 h ASN 115 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1pt9 h ASN 115 Cb 0.59 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.60 1pt9 h ASN 115 CO 0.00 0.18 0.00 0.00 -1.29 0.00 0.00 177.43 176.32 1pt9 n HIS 116 N -4.50 0.00 0.83 0.67 1.44 -1.26 -3.06 115.22 109.34 1pt9 n HIS 116 Ca 0.18 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.01 1pt9 n HIS 116 Cb 0.65 -0.03 0.12 0.00 0.12 0.00 0.00 29.99 30.85 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 -1.03 3.04 -0.16 4.39 8.00 0.34 -4.51 116.55 126.63 1pt9 n ASP 117 Ca 0.19 -1.97 -0.10 0.00 0.71 0.00 0.00 54.79 53.62 1pt9 n ASP 117 Cb 0.10 -0.05 -0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1pt9 n ASP 117 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1pt9 h PHE 118 N 4.52 0.82 0.00 1.24 0.05 -1.66 -2.74 116.94 119.18 1pt9 h PHE 118 Ca 0.00 -0.12 -0.00 0.00 3.82 0.00 0.00 57.97 61.67 1pt9 h PHE 118 Cb 0.97 -0.22 -0.00 0.00 2.00 0.00 0.00 35.95 38.70 1pt9 h PHE 118 CO 0.05 0.78 -0.00 -1.35 -0.18 0.00 0.00 178.31 177.61 1pt9 h PRO 119 N 0.63 0.00 -0.46 1.51 0.11 -1.79 -1.63 132.00 130.36 1pt9 h PRO 119 Ca 0.13 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.17 1pt9 h PRO 119 Cb 0.42 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.49 1pt9 h PRO 119 CO 0.01 0.00 0.06 -0.25 -0.21 0.00 0.00 178.00 177.62 1pt9 n ASP 120 N -3.16 4.44 -4.53 -2.05 9.92 -1.04 -4.77 116.55 115.35 1pt9 n ASP 120 Ca -0.03 -3.13 -0.33 0.00 -0.53 0.00 0.00 54.79 50.78 1pt9 n ASP 120 Cb 0.11 -0.64 -0.12 0.00 -0.64 0.00 0.00 41.12 39.83 1pt9 n ASP 120 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1pt9 s THR 121 N -2.90 3.34 -0.10 -3.53 2.01 -0.63 -4.97 115.64 108.87 1pt9 s THR 121 Ca 0.49 -0.68 -0.27 0.00 0.31 0.00 0.00 61.69 61.54 1pt9 s THR 121 Cb 0.39 -2.36 -0.25 0.00 0.01 0.00 0.00 72.50 70.30 1pt9 s THR 121 CO 0.11 0.55 0.91 0.44 -0.69 0.00 0.00 174.62 175.94 1pt9 h ASP 122 N 5.14 0.07 -3.50 3.53 3.45 -1.70 -0.63 116.42 122.78 1pt9 h ASP 122 Ca -0.48 -0.87 -0.35 0.00 0.43 0.00 0.00 57.03 55.76 1pt9 h ASP 122 Cb 1.16 -0.02 -0.34 0.00 -0.56 0.00 0.00 39.33 39.57 1pt9 h ASP 122 CO 0.51 0.93 -0.75 -0.22 -1.57 0.00 0.00 179.24 178.14 1pt9 s LEU 123 N -8.43 1.22 -0.26 1.55 2.96 -0.82 -1.27 118.68 113.63 1pt9 s LEU 123 Ca -0.18 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1pt9 s LEU 123 Cb -0.01 -0.25 0.03 0.00 0.50 0.00 0.00 46.19 46.46 1pt9 s LEU 123 CO 0.71 -0.09 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.91 1pt9 s VAL 124 N 0.97 2.87 -0.51 1.68 1.01 -0.37 -0.79 120.40 125.26 1pt9 s VAL 124 Ca -0.10 -1.12 -0.19 0.00 0.00 0.00 0.00 61.98 60.56 1pt9 s VAL 124 Cb -0.14 -2.51 0.06 0.00 0.00 0.00 0.00 36.38 33.80 1pt9 s VAL 124 CO -0.01 0.13 0.65 -0.76 0.00 0.00 0.00 175.10 175.10 1pt9 s LEU 125 N 1.30 4.93 -0.58 3.92 1.43 -0.32 -1.18 118.68 128.19 1pt9 s LEU 125 Ca -0.01 -0.90 -0.24 0.00 -1.03 0.00 0.00 54.13 51.95 1pt9 s LEU 125 Cb -0.17 -2.46 0.04 0.00 0.03 0.00 0.00 46.19 43.63 1pt9 s LEU 125 CO -0.04 -0.92 0.98 -0.69 0.23 0.00 0.00 176.35 175.91 1pt9 s VAL 126 N 2.70 4.32 -0.32 -1.59 1.01 0.97 -1.89 120.40 125.60 1pt9 s VAL 126 Ca 0.16 0.24 -0.10 0.00 0.00 0.00 0.00 61.98 62.28 1pt9 s VAL 126 Cb -0.19 -4.59 -0.01 0.00 0.00 0.00 0.00 36.38 31.59 1pt9 s VAL 126 CO 0.12 -1.22 0.16 -0.63 0.00 0.00 0.00 175.10 173.54 1pt9 s ILE 127 N 4.13 4.65 -1.38 2.22 1.01 -0.94 0.83 121.20 131.72 1pt9 s ILE 127 Ca 0.30 -0.44 -0.09 0.00 0.00 0.00 0.00 60.65 60.42 1pt9 s ILE 127 Cb -0.13 -3.39 0.06 0.00 0.01 0.00 0.00 42.46 39.01 1pt9 s ILE 127 CO 0.18 0.04 0.58 0.61 0.00 0.00 0.00 174.94 176.35 1pt9 n GLY 128 N 4.99 -0.49 3.36 6.18 0.00 -0.02 -1.58 105.19 117.62 1pt9 n GLY 128 Ca -0.14 0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.03 2.16 0.00 4.61 0.00 -1.26 -0.13 121.76 124.11 1pt9 s ALA 129 Ca 0.42 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1pt9 s ALA 129 Cb -0.21 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.68 1pt9 s ALA 129 CO 0.51 0.30 0.00 -1.71 0.00 0.00 0.00 175.76 174.87 1pt9 n ASN 130 N 0.33 0.00 -0.33 0.00 2.85 -1.26 -4.92 115.26 111.93 1pt9 n ASN 130 Ca -0.13 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.46 1pt9 n ASN 130 Cb 0.56 0.25 0.33 0.00 1.24 0.00 0.00 39.78 42.17 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 0.76 0.52 1.20 3.45 -1.96 -0.12 116.42 120.27 1pt9 h ASP 131 Ca 0.00 0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.53 1pt9 h ASP 131 Cb 0.00 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 38.70 1pt9 h ASP 131 CO 0.00 0.32 0.00 0.35 -1.57 0.00 0.00 179.24 178.34 1pt9 n THR 132 N -4.66 0.97 -1.77 0.35 -2.24 -1.26 -2.58 114.28 103.08 1pt9 n THR 132 Ca 0.21 0.24 0.06 0.00 -2.27 0.00 0.00 64.05 62.29 1pt9 n THR 132 Cb 0.52 -1.00 0.12 0.00 -2.10 0.00 0.00 70.33 67.87 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 -1.55 1.29 -2.74 2.28 0.24 -0.11 -0.54 118.33 117.21 1pt9 n VAL 133 Ca 0.03 -2.05 -0.43 0.00 -2.04 0.00 0.00 64.34 59.85 1pt9 n VAL 133 Cb 0.18 0.17 -0.03 0.00 -1.47 0.00 0.00 33.84 32.68 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 -2.56 6.45 0.00 -1.34 3.84 -0.86 -4.83 114.94 115.64 1pt9 s ASN 134 Ca 0.31 -0.00 0.11 0.00 0.21 0.00 0.00 52.86 53.48 1pt9 s ASN 134 Cb 0.31 -2.48 0.47 0.00 -0.55 0.00 0.00 41.25 38.99 1pt9 s ASN 134 CO -0.07 -1.25 1.34 -1.54 -2.79 0.00 0.00 177.10 172.80 1pt9 n SER 135 N 7.68 0.00 0.23 -4.21 3.41 -1.26 -2.46 113.62 117.01 1pt9 n SER 135 Ca 0.06 0.47 0.16 0.00 -0.26 0.00 0.00 58.87 59.30 1pt9 n SER 135 Cb 0.48 -0.48 0.75 0.00 -0.26 0.00 0.00 64.21 64.70 1pt9 n SER 135 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pt9 h ALA 136 N 2.38 1.00 -0.49 7.33 0.00 -1.90 -0.57 119.26 127.01 1pt9 h ALA 136 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1pt9 h ALA 136 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1pt9 h ALA 136 CO 0.00 0.00 0.13 0.00 0.00 0.00 0.00 179.25 179.38 1pt9 h ALA 137 N 2.07 1.31 0.00 0.00 0.00 -1.71 -1.72 119.26 119.20 1pt9 h ALA 137 Ca 0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1pt9 h ALA 137 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1pt9 h ALA 137 CO 0.00 0.49 -1.90 1.04 0.00 0.00 0.00 179.25 178.88 1pt9 n GLN 138 N -4.30 0.72 -0.01 0.00 6.02 -0.74 -0.54 117.38 118.54 1pt9 n GLN 138 Ca 0.03 -0.13 -0.00 0.00 -0.01 0.00 0.00 57.00 56.89 1pt9 n GLN 138 Cb 0.21 -1.43 -0.12 0.00 1.02 0.00 0.00 30.24 29.92 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 -2.24 0.64 -3.97 -1.09 1.02 -0.30 -4.84 120.64 109.86 1pt9 n GLU 139 Ca -0.09 0.09 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 1pt9 n GLU 139 Cb 0.61 -1.68 -0.14 0.00 -0.02 0.00 0.00 31.44 30.20 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 -5.47 4.65 0.45 1.62 2.15 -0.65 -4.99 116.67 114.44 1pt9 s ASP 140 Ca -0.06 -1.27 0.20 0.00 0.43 0.00 0.00 52.55 51.86 1pt9 s ASP 140 Cb 0.09 -1.65 1.09 0.00 -0.30 0.00 0.00 42.92 42.16 1pt9 s ASP 140 CO 0.83 -0.22 1.96 -0.65 -0.17 0.00 0.00 175.17 176.92 1pt9 h PRO 141 N 7.92 0.00 -0.63 4.34 0.11 -1.88 -2.70 132.00 139.16 1pt9 h PRO 141 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1pt9 h PRO 141 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1pt9 h PRO 141 CO 0.51 0.22 0.00 0.09 -0.21 0.00 0.00 178.00 178.61 1pt9 n ASN 142 N -3.88 3.69 -4.81 -2.05 4.13 -1.26 -4.88 115.26 106.20 1pt9 n ASN 142 Ca -0.02 -2.37 -0.35 0.00 1.68 0.00 0.00 54.58 53.52 1pt9 n ASN 142 Cb 0.31 -0.51 -0.06 0.00 -1.54 0.00 0.00 39.78 37.98 1pt9 n ASN 142 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1pt9 s SER 143 N -0.75 7.10 0.00 6.41 0.15 -1.02 -4.95 113.70 120.65 1pt9 s SER 143 Ca 0.37 1.60 0.16 0.00 0.70 0.00 0.00 55.95 58.78 1pt9 s SER 143 Cb 0.25 -2.49 0.70 0.00 -1.71 0.00 0.00 66.02 62.76 1pt9 s SER 143 CO 0.17 -0.10 1.49 2.30 1.20 0.00 0.00 173.24 178.30 1pt9 n ILE 144 N 0.29 0.84 -0.44 6.45 -5.35 -1.26 -1.61 119.36 118.28 1pt9 n ILE 144 Ca 0.02 0.21 0.05 0.00 -0.27 0.00 0.00 62.75 62.76 1pt9 n ILE 144 Cb 0.51 -0.94 0.12 0.00 -1.74 0.00 0.00 39.64 37.59 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 -1.45 1.40 -1.69 7.28 -5.35 -1.26 -5.01 119.36 113.28 1pt9 n ILE 145 Ca 0.05 -1.41 -0.50 0.00 -0.27 0.00 0.00 62.75 60.61 1pt9 n ILE 145 Cb 0.17 0.22 -0.05 0.00 -1.74 0.00 0.00 39.64 38.24 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 -0.40 0.64 0.00 -1.28 0.00 -0.63 -0.94 120.51 117.90 1pt9 n ALA 146 Ca 0.10 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1pt9 n ALA 146 Cb 0.49 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.50 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 4.38 2.99 3.67 0.00 0.00 0.30 -5.03 105.19 111.50 1pt9 n GLY 147 Ca 0.24 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.76 1pt9 n GLY 147 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1pt9 n MET 148 N -0.16 1.91 -1.73 1.61 2.00 -0.11 -4.87 117.12 115.76 1pt9 n MET 148 Ca 0.00 0.70 -0.42 0.00 0.00 0.00 0.00 57.70 57.97 1pt9 n MET 148 Cb 0.00 -2.47 -0.02 0.00 0.00 0.00 0.00 33.22 30.73 1pt9 n MET 148 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1pt9 n PRO 149 N 4.85 2.57 -4.11 0.03 -0.04 -1.26 -4.85 135.00 132.20 1pt9 n PRO 149 Ca 0.21 0.91 -0.10 0.00 -0.04 0.00 0.00 63.50 64.48 1pt9 n PRO 149 Cb 0.26 -2.67 -0.10 0.00 -0.04 0.00 0.00 33.50 30.94 1pt9 n PRO 149 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1pt9 s VAL 150 N -0.10 0.51 -0.16 0.52 -7.23 -1.26 -5.01 120.40 107.67 1pt9 s VAL 150 Ca 0.64 -1.60 -0.29 0.00 -1.81 0.00 0.00 61.98 58.92 1pt9 s VAL 150 Cb -0.52 -1.24 -0.03 0.00 0.56 0.00 0.00 36.38 35.15 1pt9 s VAL 150 CO 0.50 -0.74 1.45 -0.76 -0.31 0.00 0.00 175.10 175.24 1pt9 s LEU 151 N -2.50 4.14 -1.49 1.32 1.43 0.30 -4.89 118.68 116.99 1pt9 s LEU 151 Ca 0.03 1.79 -0.11 0.00 -1.03 0.00 0.00 54.13 54.80 1pt9 s LEU 151 Cb 0.00 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.70 1pt9 s LEU 151 CO -0.04 -0.94 2.46 -0.62 0.23 0.00 0.00 176.35 177.44 1pt9 n GLU 152 N 7.04 3.37 0.13 1.70 1.02 -1.26 -4.49 120.64 128.14 1pt9 n GLU 152 Ca 0.16 -2.63 0.00 0.00 -0.02 0.00 0.00 57.16 54.67 1pt9 n GLU 152 Cb 0.44 -3.03 0.30 0.00 -0.02 0.00 0.00 31.44 29.13 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 3.52 1.27 0.00 2.62 -1.51 -1.90 -3.04 116.25 117.22 1pt9 h VAL 153 Ca 0.67 -1.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 1pt9 h VAL 153 Cb 0.49 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 1pt9 h VAL 153 CO 1.80 0.38 0.00 -2.67 -1.23 0.00 0.00 177.57 175.85 1pt9 n TRP 154 N -4.10 0.00 0.56 5.19 2.14 -1.26 -1.91 117.44 118.06 1pt9 n TRP 154 Ca -0.01 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.68 1pt9 n TRP 154 Cb 0.41 -0.41 0.20 0.00 -0.81 0.00 0.00 31.31 30.71 1pt9 n TRP 154 CO 0.00 0.00 0.00 0.87 2.07 0.00 0.00 177.69 180.63 1pt9 h LYS 155 N 0.00 0.00 -7.56 -2.67 1.57 -1.84 -3.47 116.57 102.60 1pt9 h LYS 155 Ca 0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 1pt9 h LYS 155 Cb 0.08 0.00 0.13 0.00 0.08 0.00 0.00 32.23 32.52 1pt9 h LYS 155 CO 0.00 0.00 0.33 -1.54 -0.57 0.00 0.00 179.45 177.67 1pt9 s SER 156 N -4.35 3.49 0.07 0.86 1.04 -0.80 -4.07 113.70 109.94 1pt9 s SER 156 Ca 0.07 0.79 -0.32 0.00 0.48 0.00 0.00 55.95 56.97 1pt9 s SER 156 Cb 0.13 -1.25 -0.19 0.00 0.10 0.00 0.00 66.02 64.82 1pt9 s SER 156 CO 0.70 -2.54 1.63 0.11 0.98 0.00 0.00 173.24 174.12 1pt9 h LYS 157 N -1.50 -0.81 -4.44 4.02 1.57 -1.21 -3.44 116.57 110.77 1pt9 h LYS 157 Ca -0.48 0.06 -0.45 0.00 -1.87 0.00 0.00 60.65 57.90 1pt9 h LYS 157 Cb 1.31 0.18 -0.32 0.00 0.08 0.00 0.00 32.23 33.48 1pt9 h LYS 157 CO 0.57 -0.54 -0.79 -1.14 -0.57 0.00 0.00 179.45 176.98 1pt9 s GLN 158 N -6.06 1.17 -0.12 3.15 2.00 -0.39 -4.83 119.66 114.58 1pt9 s GLN 158 Ca -0.17 -0.29 0.01 0.00 -2.00 0.00 0.00 55.36 52.91 1pt9 s GLN 158 Cb 0.04 -1.05 -0.01 0.00 0.80 0.00 0.00 33.01 32.78 1pt9 s GLN 158 CO 0.62 0.04 -0.15 0.08 -0.50 0.00 0.00 175.29 175.38 1pt9 s VAL 159 N 0.52 2.85 -0.25 1.34 1.01 0.10 -1.24 120.40 124.75 1pt9 s VAL 159 Ca -0.09 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1pt9 s VAL 159 Cb -0.12 -2.17 0.04 0.00 0.00 0.00 0.00 36.38 34.12 1pt9 s VAL 159 CO 0.01 0.54 -0.09 -0.63 0.00 0.00 0.00 175.10 174.93 1pt9 s ILE 160 N 0.25 2.56 -0.30 2.22 1.01 -0.32 -0.80 121.20 125.81 1pt9 s ILE 160 Ca -0.10 -1.23 -0.16 0.00 0.00 0.00 0.00 60.65 59.15 1pt9 s ILE 160 Cb -0.16 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 1pt9 s ILE 160 CO 0.06 0.15 0.44 -0.69 0.00 0.00 0.00 174.94 174.89 1pt9 s VAL 161 N 1.25 5.11 -0.45 2.92 1.01 -0.33 -0.02 120.40 129.88 1pt9 s VAL 161 Ca -0.02 0.48 -0.09 0.00 0.00 0.00 0.00 61.98 62.34 1pt9 s VAL 161 Cb -0.17 -3.82 0.11 0.00 0.00 0.00 0.00 36.38 32.49 1pt9 s VAL 161 CO -0.06 -0.00 0.31 -0.04 0.00 0.00 0.00 175.10 175.31 1pt9 s MET 162 N 2.20 2.50 0.34 2.72 -1.94 0.24 -1.38 119.30 123.98 1pt9 s MET 162 Ca 0.17 -1.66 -0.06 0.00 -1.71 0.00 0.00 55.69 52.42 1pt9 s MET 162 Cb -0.16 -3.87 0.01 0.00 2.01 0.00 0.00 34.83 32.83 1pt9 s MET 162 CO 0.11 -1.11 0.52 -1.59 -0.01 0.00 0.00 175.02 172.94 1pt9 s LYS 163 N 1.38 1.91 0.43 2.03 -2.85 -1.25 -0.84 119.74 120.54 1pt9 s LYS 163 Ca 0.05 -1.63 0.23 0.00 -1.00 0.00 0.00 55.97 53.62 1pt9 s LYS 163 Cb -0.25 0.48 0.39 0.00 -2.06 0.00 0.00 37.83 36.39 1pt9 s LYS 163 CO 0.00 -0.81 1.63 0.00 0.10 0.00 0.00 175.35 176.27 1pt9 h ARG 164 N 2.12 0.00 0.00 1.78 3.08 -1.90 0.68 114.38 120.14 1pt9 h ARG 164 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1pt9 h ARG 164 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1pt9 h ARG 164 CO 0.39 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.16 1pt9 n SER 165 N -3.05 0.00 -1.92 7.04 3.41 -1.26 -4.23 113.62 113.61 1pt9 n SER 165 Ca 0.04 -0.10 -0.06 0.00 -0.26 0.00 0.00 58.87 58.49 1pt9 n SER 165 Cb 0.52 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.76 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 5.93 -4.69 1.04 4.32 -1.26 -4.99 117.00 117.34 1pt9 n LEU 166 Ca 0.00 -3.27 -0.31 0.00 -0.02 0.00 0.00 56.01 52.42 1pt9 n LEU 166 Cb 0.00 -0.74 0.15 0.00 -1.62 0.00 0.00 43.42 41.21 1pt9 n LEU 166 CO 0.00 0.84 0.67 -0.83 -1.22 0.00 0.00 177.39 176.85 1pt9 s GLY 167 N -1.19 1.66 0.82 -0.72 0.00 -1.26 -4.94 107.32 101.70 1pt9 s GLY 167 Ca 0.54 0.30 -0.12 0.00 0.00 0.00 0.00 44.72 45.45 1pt9 s GLY 167 CO 0.12 0.74 1.19 -1.34 0.00 0.00 0.00 173.10 173.81 1pt9 s VAL 168 N -2.76 2.03 0.00 1.40 -7.23 -1.26 -4.98 120.40 107.59 1pt9 s VAL 168 Ca 0.64 -0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.79 1pt9 s VAL 168 Cb -0.20 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.74 1pt9 s VAL 168 CO 0.58 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.98 1pt9 n GLY 169 N -3.35 3.64 0.21 2.32 0.00 -1.26 -4.91 105.19 101.84 1pt9 n GLY 169 Ca 0.09 -2.00 -0.01 0.00 0.00 0.00 0.00 46.02 44.09 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 0.00 -0.15 0.00 1.61 3.20 -1.99 -0.44 116.97 119.20 1pt9 h TYR 170 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1pt9 h TYR 170 Cb 0.00 0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1pt9 h TYR 170 CO 0.00 -0.19 0.00 0.00 -1.64 0.00 0.00 178.16 176.33 1pt9 n ALA 171 N -2.82 2.07 -4.19 1.82 0.00 -1.26 -4.87 120.51 111.25 1pt9 n ALA 171 Ca 0.06 -0.07 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1pt9 n ALA 171 Cb 0.30 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.82 -1.90 -2.66 0.00 0.00 -0.18 -4.95 120.51 109.99 1pt9 n ALA 172 Ca 0.08 -0.32 -0.19 0.00 0.00 0.00 0.00 53.44 53.01 1pt9 n ALA 172 Cb 0.04 -1.36 -0.14 0.00 0.00 0.00 0.00 19.45 17.98 1pt9 n ALA 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pt9 s VAL 173 N -4.07 0.91 0.47 0.00 0.11 -1.26 -4.97 120.40 111.58 1pt9 s VAL 173 Ca 0.11 -0.71 -0.24 0.00 -2.93 0.00 0.00 61.98 58.21 1pt9 s VAL 173 Cb -0.06 -0.80 -0.07 0.00 -1.53 0.00 0.00 36.38 33.91 1pt9 s VAL 173 CO 0.96 0.09 1.30 -0.62 -3.33 0.00 0.00 175.10 173.50 1pt9 s ASP 174 N -0.70 5.88 -0.26 3.54 3.68 -1.26 -4.49 116.67 123.06 1pt9 s ASP 174 Ca 0.02 2.64 -0.04 0.00 2.13 0.00 0.00 52.55 57.30 1pt9 s ASP 174 Cb -0.06 -2.63 0.01 0.00 -1.45 0.00 0.00 42.92 38.79 1pt9 s ASP 174 CO 0.00 -1.14 -0.01 0.21 0.13 0.00 0.00 175.17 174.36 1pt9 s ASN 175 N -0.93 4.59 0.57 -0.34 3.84 -1.26 -4.89 114.94 116.53 1pt9 s ASN 175 Ca 0.64 -0.70 0.26 0.00 0.21 0.00 0.00 52.86 53.26 1pt9 s ASN 175 Cb -0.37 -1.76 1.66 0.00 -0.55 0.00 0.00 41.25 40.23 1pt9 s ASN 175 CO 0.46 -0.12 2.22 -0.65 -2.79 0.00 0.00 177.10 176.22 1pt9 h PRO 176 N 8.11 0.00 0.00 0.43 0.11 -1.94 -2.86 132.00 135.85 1pt9 h PRO 176 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1pt9 h PRO 176 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1pt9 h PRO 176 CO 0.59 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 178.82 1pt9 n ILE 177 N -4.05 1.11 0.14 4.15 -5.35 -1.26 -1.81 119.36 112.29 1pt9 n ILE 177 Ca -0.03 0.63 -0.00 0.00 -0.27 0.00 0.00 62.75 63.08 1pt9 n ILE 177 Cb 0.09 -1.62 0.24 0.00 -1.74 0.00 0.00 39.64 36.61 1pt9 n ILE 177 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 1pt9 h PHE 178 N 0.00 0.08 -0.40 4.28 0.05 -1.91 -3.11 116.94 115.93 1pt9 h PHE 178 Ca 0.00 -0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.77 1pt9 h PHE 178 Cb 0.06 -0.02 0.00 0.00 2.00 0.00 0.00 35.95 37.99 1pt9 h PHE 178 CO 0.00 0.54 0.00 0.66 -0.18 0.00 0.00 178.31 179.33 1pt9 n TYR 179 N -3.96 1.37 -3.19 -0.55 4.02 -0.75 -4.41 117.16 109.70 1pt9 n TYR 179 Ca -0.02 -0.80 -0.39 0.00 -0.01 0.00 0.00 57.90 56.69 1pt9 n TYR 179 Cb 0.52 -0.38 -0.06 0.00 -0.02 0.00 0.00 39.34 39.40 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 -2.70 4.30 0.27 -0.72 1.02 -1.17 -4.85 119.74 115.88 1pt9 s LYS 180 Ca 0.47 0.85 -0.01 0.00 0.02 0.00 0.00 55.97 57.30 1pt9 s LYS 180 Cb 0.36 -3.21 0.61 0.00 -0.52 0.00 0.00 37.83 35.07 1pt9 s LYS 180 CO 0.12 0.60 1.68 -1.35 -0.92 0.00 0.00 175.35 175.48 1pt9 h PRO 181 N 4.36 0.28 -0.80 -1.68 0.11 -1.94 -0.91 132.00 131.42 1pt9 h PRO 181 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1pt9 h PRO 181 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1pt9 h PRO 181 CO 0.64 0.18 0.00 0.27 -0.21 0.00 0.00 178.00 178.89 1pt9 n ASN 182 N -5.15 2.41 -4.39 -2.05 6.94 -1.26 -4.85 115.26 106.92 1pt9 n ASN 182 Ca 0.18 -2.27 -0.32 0.00 -0.02 0.00 0.00 54.58 52.15 1pt9 n ASN 182 Cb 0.58 -0.52 -0.14 0.00 -2.36 0.00 0.00 39.78 37.33 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 -1.58 2.74 -0.07 5.53 2.01 -0.35 -0.72 115.64 123.21 1pt9 s THR 183 Ca 0.17 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.38 1pt9 s THR 183 Cb 0.13 -2.07 0.01 0.00 0.01 0.00 0.00 72.50 70.58 1pt9 s THR 183 CO 0.06 0.57 -0.15 0.00 -0.69 0.00 0.00 174.62 174.41 1pt9 s ALA 184 N -0.32 1.42 -0.25 7.40 0.00 0.02 -4.50 121.76 125.52 1pt9 s ALA 184 Ca 0.02 -0.53 -0.18 0.00 0.00 0.00 0.00 51.96 51.27 1pt9 s ALA 184 Cb -0.13 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 1pt9 s ALA 184 CO 0.02 0.17 0.52 -1.64 0.00 0.00 0.00 175.76 174.83 1pt9 s MET 185 N 0.51 4.10 -0.81 0.00 -1.94 0.70 -1.19 119.30 120.66 1pt9 s MET 185 Ca -0.13 0.36 -0.02 0.00 -1.71 0.00 0.00 55.69 54.19 1pt9 s MET 185 Cb -0.15 -3.63 0.20 0.00 2.01 0.00 0.00 34.83 33.26 1pt9 s MET 185 CO 0.04 -0.31 0.68 -1.17 -0.01 0.00 0.00 175.02 174.25 1pt9 s LEU 186 N 2.16 5.46 0.29 -0.03 2.96 -0.48 -2.14 118.68 126.90 1pt9 s LEU 186 Ca 0.22 -3.48 -0.29 0.00 -0.22 0.00 0.00 54.13 50.36 1pt9 s LEU 186 Cb -0.16 -1.89 -0.10 0.00 0.50 0.00 0.00 46.19 44.55 1pt9 s LEU 186 CO 0.09 -0.23 1.37 -0.76 -1.32 0.00 0.00 176.35 175.50 1pt9 s LEU 187 N -0.99 4.40 0.00 -0.68 1.43 -1.26 -3.83 118.68 117.76 1pt9 s LEU 187 Ca 0.24 2.69 0.00 0.00 -1.03 0.00 0.00 54.13 56.03 1pt9 s LEU 187 Cb -0.11 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1pt9 s LEU 187 CO -0.10 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 176.47 1pt9 n GLY 188 N 1.43 3.50 3.65 -3.19 0.00 0.23 -4.95 105.19 105.87 1pt9 n GLY 188 Ca 0.03 -1.44 -0.44 0.00 0.00 0.00 0.00 46.02 44.18 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 2.22 0.26 1.61 2.03 -1.26 -3.59 116.55 117.82 1pt9 n ASP 189 Ca 0.00 1.19 0.08 0.00 0.52 0.00 0.00 54.79 56.58 1pt9 n ASP 189 Cb 0.00 -1.40 0.64 0.00 -0.72 0.00 0.00 41.12 39.63 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 2.56 1.97 0.16 -1.67 0.00 -1.88 -1.57 119.26 118.83 1pt9 h ALA 190 Ca -0.44 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.21 1pt9 h ALA 190 Cb 1.30 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.11 1pt9 h ALA 190 CO 0.63 0.01 -1.18 -0.22 0.00 0.00 0.00 179.25 178.50 1pt9 h LYS 191 N 0.00 0.34 0.02 0.00 3.64 -1.89 -2.53 116.57 116.15 1pt9 h LYS 191 Ca -0.00 -0.58 0.01 0.00 -1.27 0.00 0.00 60.65 58.82 1pt9 h LYS 191 Cb 0.02 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1pt9 h LYS 191 CO 0.00 1.28 -0.09 0.87 -2.27 0.00 0.00 179.45 179.24 1pt9 h LYS 192 N -0.22 -0.16 -0.01 1.90 1.57 -1.88 0.11 116.57 117.89 1pt9 h LYS 192 Ca -0.22 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1pt9 h LYS 192 Cb 1.81 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 34.12 1pt9 h LYS 192 CO 0.15 -0.10 -0.18 1.15 -0.57 0.00 0.00 179.45 179.89 1pt9 h THR 193 N -0.16 0.56 0.00 -0.16 2.02 -1.42 -1.77 112.91 111.98 1pt9 h THR 193 Ca 0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 1pt9 h THR 193 Cb 0.20 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1pt9 h THR 193 CO -0.08 0.00 -0.11 0.00 0.37 0.00 0.00 175.52 175.70 1pt9 h ASP 195 N 0.00 0.59 0.38 0.00 3.32 -0.17 -1.98 116.42 118.56 1pt9 h ASP 195 Ca -0.00 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 1pt9 h ASP 195 Cb 0.22 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1pt9 h ASP 195 CO 0.01 1.03 -0.18 0.00 -1.72 0.00 0.00 179.24 178.39 1pt9 h ALA 196 N 0.98 -0.51 -0.62 3.45 0.00 -0.47 -2.03 119.26 120.06 1pt9 h ALA 196 Ca 0.00 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1pt9 h ALA 196 Cb 1.12 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 1pt9 h ALA 196 CO 0.11 -0.57 0.30 -0.07 0.00 0.00 0.00 179.25 179.01 1pt9 h LEU 197 N -0.94 0.39 -0.70 0.00 3.38 -1.28 0.30 115.31 116.46 1pt9 h LEU 197 Ca -0.05 0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1pt9 h LEU 197 Cb 0.54 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.19 1pt9 h LEU 197 CO 0.09 0.24 0.25 -0.61 0.09 0.00 0.00 178.44 178.50 1pt9 h GLN 198 N 0.54 0.39 0.09 1.13 4.15 -1.35 0.14 115.11 120.20 1pt9 h GLN 198 Ca 0.30 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.69 1pt9 h GLN 198 Cb 0.28 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1pt9 h GLN 198 CO -0.24 0.26 -0.04 0.00 -1.93 0.00 0.00 178.83 176.88 1pt9 h ALA 199 N 1.51 -0.12 0.00 3.38 0.00 -0.45 -2.78 119.26 120.80 1pt9 h ALA 199 Ca 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1pt9 h ALA 199 Cb 0.54 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1pt9 h ALA 199 CO -0.38 -0.33 -0.07 0.87 0.00 0.00 0.00 179.25 179.34 1pt9 h LYS 200 N -0.59 0.00 0.00 0.00 1.57 -0.66 0.68 116.57 117.56 1pt9 h LYS 200 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1pt9 h LYS 200 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1pt9 h LYS 200 CO 0.02 0.07 -0.03 0.28 -0.57 0.00 0.00 179.45 179.22 1pt9 h VAL 201 N 0.00 0.05 0.00 0.50 2.07 -0.73 -2.80 116.25 115.34 1pt9 h VAL 201 Ca -0.00 -0.93 -0.19 0.00 0.82 0.00 0.00 66.70 66.39 1pt9 h VAL 201 Cb 0.12 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1pt9 h VAL 201 CO 0.01 0.03 -0.93 -0.09 0.02 0.00 0.00 177.57 176.61 1pt9 h ARG 202 N 0.00 0.00 -1.13 1.57 2.43 -0.61 -3.10 114.38 113.53 1pt9 h ARG 202 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1pt9 h ARG 202 Cb 0.88 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1pt9 h ARG 202 CO 0.00 0.93 0.00 0.39 -1.51 0.00 0.00 179.97 179.78 1pt9 n GLU 203 N -3.38 0.86 0.00 0.20 -0.58 -0.59 -5.11 120.64 112.04 1pt9 n GLU 203 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1pt9 n GLU 203 Cb 0.90 -1.08 0.00 0.00 -0.57 0.00 0.00 31.44 30.69 1pt9 n GLU 203 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08