#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sd8 s ILE 4 N 0.00 1.37 -0.06 -1.44 1.01 -1.26 -3.83 121.20 116.98 1sd8 s ILE 4 Ca 0.00 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 59.99 1sd8 s ILE 4 Cb 0.00 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 41.30 1sd8 s ILE 4 CO 0.00 0.39 -0.21 -0.89 0.00 0.00 0.00 174.94 174.23 1sd8 s THR 5 N -0.12 1.77 -0.10 2.92 2.01 -0.10 -0.41 115.64 121.60 1sd8 s THR 5 Ca 0.00 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.15 1sd8 s THR 5 Cb -0.09 -1.52 0.00 0.00 0.01 0.00 0.00 72.50 70.90 1sd8 s THR 5 CO 0.01 0.50 -0.23 -0.51 -0.69 0.00 0.00 174.62 173.70 1sd8 s ILE 6 N 0.08 2.01 -0.59 1.82 2.07 -0.41 -0.53 121.20 125.65 1sd8 s ILE 6 Ca -0.08 -0.98 -0.23 0.00 -1.41 0.00 0.00 60.65 57.94 1sd8 s ILE 6 Cb -0.14 -1.75 0.05 0.00 0.13 0.00 0.00 42.46 40.76 1sd8 s ILE 6 CO 0.04 0.55 0.93 -0.31 -1.91 0.00 0.00 174.94 174.24 1sd8 s TYR 7 N 0.44 2.76 -0.06 3.50 1.51 0.33 -0.70 117.35 125.13 1sd8 s TYR 7 Ca -0.17 -0.24 0.04 0.00 -1.01 0.00 0.00 57.07 55.69 1sd8 s TYR 7 Cb -0.17 -4.12 -0.02 0.00 -0.11 0.00 0.00 41.96 37.54 1sd8 s TYR 7 CO 0.07 -1.45 -0.18 -1.58 -1.11 0.00 0.00 175.55 171.31 1sd8 s HIS 8 N 3.92 2.62 -0.42 2.71 2.46 -0.20 -3.16 115.29 123.22 1sd8 s HIS 8 Ca 0.26 -0.38 -0.06 0.00 0.47 0.00 0.00 55.06 55.34 1sd8 s HIS 8 Cb -0.14 -1.64 0.10 0.00 -0.13 0.00 0.00 32.58 30.76 1sd8 s HIS 8 CO 0.15 0.01 0.24 1.21 -2.47 0.00 0.00 174.74 173.89 1sd8 s ASN 9 N -0.43 5.47 0.61 9.88 3.84 -1.26 -3.84 114.94 129.20 1sd8 s ASN 9 Ca 0.05 -1.78 0.31 0.00 0.21 0.00 0.00 52.86 51.65 1sd8 s ASN 9 Cb -0.12 -1.92 1.70 0.00 -0.55 0.00 0.00 41.25 40.36 1sd8 s ASN 9 CO 0.02 -0.56 1.94 -0.65 -2.79 0.00 0.00 177.10 175.06 1sd8 h PRO 10 N 8.27 0.00 -0.04 0.43 0.11 -1.99 -0.96 132.00 137.81 1sd8 h PRO 10 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1sd8 h PRO 10 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1sd8 h PRO 10 CO 0.75 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.54 1sd8 n ALA 11 N -1.89 2.56 -3.01 -0.75 0.00 -1.26 -4.83 120.51 111.33 1sd8 n ALA 11 Ca -0.02 -0.47 -0.36 0.00 0.00 0.00 0.00 53.44 52.59 1sd8 n ALA 11 Cb 0.28 -1.14 -0.12 0.00 0.00 0.00 0.00 19.45 18.46 1sd8 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sd8 h GLY 13 N 7.77 1.07 1.01 0.00 0.00 -1.88 -1.32 103.07 109.72 1sd8 h GLY 13 Ca -0.37 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 46.63 1sd8 h GLY 13 CO 0.61 0.26 0.55 -0.84 0.00 0.00 0.00 176.54 177.12 1sd8 h THR 14 N 0.86 1.21 -0.43 4.70 2.02 -1.94 -0.43 112.91 118.90 1sd8 h THR 14 Ca 0.30 -0.39 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 1sd8 h THR 14 Cb 0.08 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 1sd8 h THR 14 CO -0.13 0.21 -0.05 -1.28 0.37 0.00 0.00 175.52 174.63 1sd8 h SER 15 N 1.13 0.79 -0.35 4.18 0.87 -1.60 -1.21 113.55 117.36 1sd8 h SER 15 Ca 0.30 -0.34 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 1sd8 h SER 15 Cb -0.13 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.60 1sd8 h SER 15 CO -0.07 0.94 0.11 0.03 -0.53 0.00 0.00 176.83 177.31 1sd8 h ARG 16 N 0.62 0.54 -0.90 2.24 3.08 -0.87 -0.89 114.38 118.20 1sd8 h ARG 16 Ca 0.11 -0.12 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1sd8 h ARG 16 Cb 0.57 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.49 1sd8 h ARG 16 CO 0.03 0.57 0.59 -0.91 -1.07 0.00 0.00 179.97 179.19 1sd8 h ASN 17 N 0.41 1.02 -0.10 7.04 2.35 -0.98 -0.95 115.58 124.37 1sd8 h ASN 17 Ca 0.11 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1sd8 h ASN 17 Cb 0.26 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1sd8 h ASN 17 CO -0.00 0.73 0.05 0.74 -1.65 0.00 0.00 177.43 177.29 1sd8 h THR 18 N 1.20 1.12 -0.57 2.81 2.02 -0.99 -0.94 112.91 117.56 1sd8 h THR 18 Ca 0.34 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 67.22 1sd8 h THR 18 Cb -0.10 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 1sd8 h THR 18 CO -0.08 0.10 0.30 0.25 0.37 0.00 0.00 175.52 176.46 1sd8 h LEU 19 N 0.04 0.44 -1.05 2.58 5.85 -0.77 -0.65 115.31 121.74 1sd8 h LEU 19 Ca 0.03 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 1sd8 h LEU 19 Cb 0.12 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1sd8 h LEU 19 CO -0.00 0.29 -0.40 -0.33 -0.34 0.00 0.00 178.44 177.66 1sd8 h GLU 20 N 0.57 0.14 -0.33 1.25 4.39 -0.95 -1.59 114.58 118.07 1sd8 h GLU 20 Ca 0.25 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.74 1sd8 h GLU 20 Cb 0.15 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1sd8 h GLU 20 CO -0.17 0.52 -0.40 0.52 -1.16 0.00 0.00 179.01 178.33 1sd8 h MET 21 N 0.12 0.79 -0.31 2.33 2.86 -0.35 0.30 114.93 120.67 1sd8 h MET 21 Ca 0.01 -0.42 0.06 0.00 -2.06 0.00 0.00 59.70 57.29 1sd8 h MET 21 Cb 0.77 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.39 1sd8 h MET 21 CO 0.06 1.05 -0.01 0.82 1.06 0.00 0.00 176.91 179.88 1sd8 h ILE 22 N 0.65 0.76 -0.50 -1.22 2.04 -0.85 -2.22 117.51 116.17 1sd8 h ILE 22 Ca 0.05 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 1sd8 h ILE 22 Cb 0.96 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1sd8 h ILE 22 CO 0.09 0.01 0.23 0.03 0.00 0.00 0.00 178.15 178.52 1sd8 h ARG 23 N 0.08 0.70 0.00 2.37 3.08 -0.95 -1.57 114.38 118.09 1sd8 h ARG 23 Ca 0.15 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1sd8 h ARG 23 Cb 0.21 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1sd8 h ARG 23 CO -0.26 0.55 0.00 -1.71 -1.07 0.00 0.00 179.97 177.48 1sd8 n ASN 24 N -4.38 0.00 -0.27 7.04 4.05 0.07 -1.04 115.26 120.73 1sd8 n ASN 24 Ca 0.04 0.49 0.14 0.00 0.45 0.00 0.00 54.58 55.70 1sd8 n ASN 24 Cb 0.13 -0.50 0.48 0.00 1.23 0.00 0.00 39.78 41.13 1sd8 n ASN 24 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1sd8 n SER 25 N -1.50 0.99 0.00 1.20 3.41 -0.59 -0.77 113.62 116.36 1sd8 n SER 25 Ca 0.04 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.68 1sd8 n SER 25 Cb 0.21 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1sd8 n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sd8 n GLY 26 N 1.27 0.89 3.13 5.00 0.00 -0.21 -4.73 105.19 110.54 1sd8 n GLY 26 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 1sd8 n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sd8 s THR 27 N -2.02 0.97 -0.33 2.61 -4.23 -1.23 -5.05 115.64 106.35 1sd8 s THR 27 Ca 0.00 -1.09 -0.19 0.00 -1.18 0.00 0.00 61.69 59.23 1sd8 s THR 27 Cb 0.00 -0.92 -0.01 0.00 1.34 0.00 0.00 72.50 72.91 1sd8 s THR 27 CO 0.00 -0.15 0.58 -0.70 -0.54 0.00 0.00 174.62 173.81 1sd8 s GLU 28 N -1.40 3.76 0.62 3.99 2.56 -1.26 -3.59 118.70 123.38 1sd8 s GLU 28 Ca -0.02 0.07 -0.11 0.00 0.00 0.00 0.00 54.97 54.92 1sd8 s GLU 28 Cb -0.09 -3.77 -0.03 0.00 2.00 0.00 0.00 34.13 32.24 1sd8 s GLU 28 CO 0.01 -0.63 1.02 -1.25 -0.56 0.00 0.00 175.26 173.86 1sd8 s PRO 29 N 2.54 3.49 0.13 4.30 0.04 -1.26 -4.86 135.00 139.38 1sd8 s PRO 29 Ca 0.22 0.67 -0.31 0.00 0.04 0.00 0.00 61.00 61.62 1sd8 s PRO 29 Cb -0.15 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 1sd8 s PRO 29 CO 0.13 -0.62 1.44 0.99 0.04 0.00 0.00 177.00 178.98 1sd8 s THR 30 N -3.18 3.12 -0.26 1.26 2.01 0.45 -4.92 115.64 114.12 1sd8 s THR 30 Ca 0.55 0.80 -0.06 0.00 0.31 0.00 0.00 61.69 63.29 1sd8 s THR 30 Cb -0.11 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 1sd8 s THR 30 CO 0.53 0.06 0.04 -0.63 -0.69 0.00 0.00 174.62 173.93 1sd8 s ILE 31 N 1.10 3.88 -0.29 1.82 1.01 -1.26 -1.29 121.20 126.17 1sd8 s ILE 31 Ca 0.66 -0.49 -0.08 0.00 0.00 0.00 0.00 60.65 60.73 1sd8 s ILE 31 Cb -0.39 -2.88 -0.01 0.00 0.01 0.00 0.00 42.46 39.19 1sd8 s ILE 31 CO 0.31 0.25 0.11 -0.63 0.00 0.00 0.00 174.94 174.98 1sd8 s ILE 32 N 1.52 4.40 -1.19 2.92 1.01 0.12 -4.99 121.20 124.99 1sd8 s ILE 32 Ca 0.04 -0.37 -0.19 0.00 0.00 0.00 0.00 60.65 60.13 1sd8 s ILE 32 Cb -0.16 -3.18 0.07 0.00 0.01 0.00 0.00 42.46 39.21 1sd8 s ILE 32 CO 0.01 0.17 1.61 -0.76 0.00 0.00 0.00 174.94 175.97 1sd8 s LEU 33 N 1.60 3.85 0.61 2.97 1.43 -1.26 -1.04 118.68 126.83 1sd8 s LEU 33 Ca 0.05 -2.14 0.32 0.00 -1.03 0.00 0.00 54.13 51.33 1sd8 s LEU 33 Cb -0.16 -2.56 1.91 0.00 0.03 0.00 0.00 46.19 45.41 1sd8 s LEU 33 CO 0.05 -1.25 2.26 0.10 0.23 0.00 0.00 176.35 177.73 1sd8 h TYR 34 N 8.32 0.00 -0.14 0.29 -0.00 -1.75 0.79 116.97 124.47 1sd8 h TYR 34 Ca 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 59.01 1sd8 h TYR 34 Cb 0.92 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.64 1sd8 h TYR 34 CO 1.35 0.00 -0.22 -0.07 -0.00 0.00 0.00 178.16 179.23 1sd8 h LEU 35 N 0.00 0.24 0.00 0.10 3.38 -1.87 -2.44 115.31 114.71 1sd8 h LEU 35 Ca 0.01 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 1sd8 h LEU 35 Cb 0.07 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1sd8 h LEU 35 CO -0.00 0.47 -2.02 -1.84 0.09 0.00 0.00 178.44 175.14 1sd8 n GLU 36 N -4.19 0.89 -3.17 1.13 0.28 -0.36 -4.71 120.64 110.51 1sd8 n GLU 36 Ca -0.01 -0.09 -0.23 0.00 -0.16 0.00 0.00 57.16 56.67 1sd8 n GLU 36 Cb 0.33 -1.44 -0.05 0.00 1.43 0.00 0.00 31.44 31.71 1sd8 n GLU 36 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1sd8 n ASN 37 N -2.40 2.18 -4.74 -1.84 3.02 0.13 -5.10 115.26 106.51 1sd8 n ASN 37 Ca -0.16 -3.19 -0.31 0.00 -0.03 0.00 0.00 54.58 50.89 1sd8 n ASN 37 Cb 0.78 -0.62 0.12 0.00 -0.61 0.00 0.00 39.78 39.45 1sd8 n ASN 37 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1sd8 s PRO 38 N -2.42 1.78 0.78 3.52 0.04 -0.92 -4.31 135.00 133.46 1sd8 s PRO 38 Ca 0.41 1.08 -0.13 0.00 0.04 0.00 0.00 61.00 62.41 1sd8 s PRO 38 Cb 0.25 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 33.01 1sd8 s PRO 38 CO -0.09 -1.95 1.15 -1.25 0.04 0.00 0.00 177.00 174.90 1sd8 s PRO 39 N -4.89 1.92 0.96 0.56 0.04 -1.26 -5.01 135.00 127.32 1sd8 s PRO 39 Ca 0.62 1.54 -0.13 0.00 0.04 0.00 0.00 61.00 63.07 1sd8 s PRO 39 Cb -0.18 -1.83 0.16 0.00 0.04 0.00 0.00 34.50 32.70 1sd8 s PRO 39 CO 0.57 -1.96 1.14 -1.54 0.04 0.00 0.00 177.00 175.25 1sd8 s SER 40 N -2.55 3.08 0.16 6.66 1.04 -1.26 -4.75 113.70 116.09 1sd8 s SER 40 Ca 0.69 0.92 -0.16 0.00 0.48 0.00 0.00 55.95 57.88 1sd8 s SER 40 Cb -0.24 -1.45 0.04 0.00 0.10 0.00 0.00 66.02 64.46 1sd8 s SER 40 CO 0.50 -2.81 1.79 -0.09 0.98 0.00 0.00 173.24 173.61 1sd8 h ARG 41 N -1.68 0.44 -0.96 4.02 2.43 -1.98 0.87 114.38 117.52 1sd8 h ARG 41 Ca -0.50 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 58.68 1sd8 h ARG 41 Cb 1.32 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.72 1sd8 h ARG 41 CO 0.57 0.29 0.63 -0.44 -1.51 0.00 0.00 179.97 179.52 1sd8 h ASP 42 N 0.45 1.05 -0.27 -3.80 3.32 -2.00 -0.07 116.42 115.10 1sd8 h ASP 42 Ca 0.16 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 1sd8 h ASP 42 Cb 0.02 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1sd8 h ASP 42 CO -0.08 0.72 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.68 1sd8 h GLU 43 N 1.21 0.58 -0.58 3.56 5.08 -1.83 -1.80 114.58 120.80 1sd8 h GLU 43 Ca 0.38 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1sd8 h GLU 43 Cb 0.01 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1sd8 h GLU 43 CO -0.12 0.83 0.09 1.25 -1.00 0.00 0.00 179.01 180.07 1sd8 h LEU 44 N 0.31 0.92 -0.82 1.33 5.85 -0.36 0.28 115.31 122.82 1sd8 h LEU 44 Ca 0.06 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.55 1sd8 h LEU 44 Cb 0.67 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1sd8 h LEU 44 CO 0.04 0.95 0.53 0.58 -0.34 0.00 0.00 178.44 180.20 1sd8 h VAL 45 N 0.86 1.14 -0.44 1.05 2.07 -0.90 -1.40 116.25 118.63 1sd8 h VAL 45 Ca 0.18 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 1sd8 h VAL 45 Cb 0.42 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1sd8 h VAL 45 CO 0.01 0.19 0.08 0.50 0.02 0.00 0.00 177.57 178.37 1sd8 h LYS 46 N 1.04 0.72 -0.50 1.57 3.64 -0.98 -1.73 116.57 120.33 1sd8 h LYS 46 Ca 0.32 -0.19 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1sd8 h LYS 46 Cb -0.02 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 1sd8 h LYS 46 CO -0.10 0.74 0.28 -0.07 -2.27 0.00 0.00 179.45 178.03 1sd8 h LEU 47 N 0.59 0.45 -0.45 5.20 3.38 -0.58 0.38 115.31 124.28 1sd8 h LEU 47 Ca 0.14 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1sd8 h LEU 47 Cb 0.36 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1sd8 h LEU 47 CO 0.01 0.31 0.14 0.40 0.09 0.00 0.00 178.44 179.39 1sd8 h ILE 48 N 0.56 1.22 -0.42 1.22 2.04 -1.11 0.13 117.51 121.16 1sd8 h ILE 48 Ca 0.20 -0.74 0.04 0.00 1.00 0.00 0.00 64.86 65.37 1sd8 h ILE 48 Cb 0.05 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1sd8 h ILE 48 CO -0.11 0.27 0.18 0.00 0.00 0.00 0.00 178.15 178.49 1sd8 h ALA 49 N 0.99 0.51 0.00 1.87 0.00 -0.99 -2.40 119.26 119.24 1sd8 h ALA 49 Ca 0.15 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1sd8 h ALA 49 Cb 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1sd8 h ALA 49 CO -0.00 -0.19 -0.36 -0.44 0.00 0.00 0.00 179.25 178.25 1sd8 h ASP 50 N 0.37 0.00 1.37 0.00 3.45 -0.59 -2.37 116.42 118.65 1sd8 h ASP 50 Ca 0.19 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.65 1sd8 h ASP 50 Cb 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 1sd8 h ASP 50 CO -0.16 0.36 0.00 0.24 -1.57 0.00 0.00 179.24 178.11 1sd8 h MET 51 N 0.00 0.00 -3.64 3.56 2.86 -0.53 -3.40 114.93 113.78 1sd8 h MET 51 Ca -0.00 0.00 -0.39 0.00 -2.06 0.00 0.00 59.70 57.25 1sd8 h MET 51 Cb 0.67 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.33 1sd8 h MET 51 CO 0.05 0.00 -0.52 0.41 1.06 0.00 0.00 176.91 177.90 1sd8 n GLY 52 N 0.64 -0.51 3.75 8.32 0.00 -0.89 -4.83 105.19 111.67 1sd8 n GLY 52 Ca 0.03 0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 1sd8 n GLY 52 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1sd8 s ILE 53 N -3.01 2.23 0.68 -0.61 -4.36 -1.25 -5.10 121.20 109.77 1sd8 s ILE 53 Ca 0.10 -1.70 -0.11 0.00 -0.26 0.00 0.00 60.65 58.69 1sd8 s ILE 53 Cb -0.05 -2.92 -0.00 0.00 1.25 0.00 0.00 42.46 40.74 1sd8 s ILE 53 CO 0.12 0.00 1.05 -0.94 0.24 0.00 0.00 174.94 175.42 1sd8 s SER 54 N -3.92 5.57 0.18 4.36 1.04 -1.26 -4.80 113.70 114.86 1sd8 s SER 54 Ca 0.39 1.58 -0.13 0.00 0.48 0.00 0.00 55.95 58.27 1sd8 s SER 54 Cb 0.03 -2.49 0.13 0.00 0.10 0.00 0.00 66.02 63.79 1sd8 s SER 54 CO 0.22 -1.32 1.80 0.58 0.98 0.00 0.00 173.24 175.50 1sd8 h VAL 55 N -0.62 1.00 -0.24 5.02 2.07 -1.95 -2.52 116.25 119.01 1sd8 h VAL 55 Ca -0.44 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 1sd8 h VAL 55 Cb 1.21 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1sd8 h VAL 55 CO 0.58 0.10 -0.05 -0.09 0.02 0.00 0.00 177.57 178.13 1sd8 h ARG 56 N 0.57 0.37 0.00 1.57 2.43 -1.94 -0.57 114.38 116.81 1sd8 h ARG 56 Ca 0.22 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1sd8 h ARG 56 Cb 0.08 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1sd8 h ARG 56 CO -0.13 0.44 -0.03 0.00 -1.51 0.00 0.00 179.97 178.74 1sd8 h ALA 57 N 1.60 1.27 -0.00 2.80 0.00 -1.82 -1.39 119.26 121.72 1sd8 h ALA 57 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1sd8 h ALA 57 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1sd8 h ALA 57 CO 0.01 0.04 -0.17 -0.11 0.00 0.00 0.00 179.25 179.03 1sd8 n LEU 58 N -3.51 0.24 -4.71 0.00 7.94 -0.22 -4.87 117.00 111.86 1sd8 n LEU 58 Ca -0.02 0.25 -0.42 0.00 -1.11 0.00 0.00 56.01 54.70 1sd8 n LEU 58 Cb 0.13 -0.35 -0.03 0.00 0.53 0.00 0.00 43.42 43.70 1sd8 n LEU 58 CO 0.26 0.05 0.96 -0.76 -1.11 0.00 0.00 177.39 176.80 1sd8 s LEU 59 N -2.87 4.37 -0.12 -1.96 1.43 -0.52 -0.47 118.68 118.54 1sd8 s LEU 59 Ca 0.17 2.15 -0.29 0.00 -1.03 0.00 0.00 54.13 55.13 1sd8 s LEU 59 Cb 0.19 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.81 1sd8 s LEU 59 CO 0.57 -0.55 0.97 -0.75 0.23 0.00 0.00 176.35 176.81 1sd8 s LYS 60 N 1.09 4.40 0.84 1.70 2.47 0.40 -4.77 119.74 125.88 1sd8 s LYS 60 Ca 0.61 1.31 -0.09 0.00 -1.56 0.00 0.00 55.97 56.24 1sd8 s LYS 60 Cb -0.33 -3.55 0.16 0.00 -1.46 0.00 0.00 37.83 32.65 1sd8 s LYS 60 CO 0.30 -0.31 1.17 0.15 0.16 0.00 0.00 175.35 176.81 1sd8 s LYS 61 N 2.02 1.20 -1.52 4.03 1.02 -1.26 -4.55 119.74 120.69 1sd8 s LYS 61 Ca 0.46 -0.65 -0.06 0.00 0.02 0.00 0.00 55.97 55.74 1sd8 s LYS 61 Cb -0.18 -2.06 0.01 0.00 -0.52 0.00 0.00 37.83 35.08 1sd8 s LYS 61 CO 0.17 -1.92 0.69 -1.71 -0.92 0.00 0.00 175.35 171.66 1sd8 n ASN 62 N -3.33 -6.03 -4.19 2.83 5.15 -1.26 -4.97 115.26 103.46 1sd8 n ASN 62 Ca 0.14 -0.34 -0.16 0.00 -0.60 0.00 0.00 54.58 53.63 1sd8 n ASN 62 Cb 0.60 -4.85 -0.11 0.00 -0.53 0.00 0.00 39.78 34.89 1sd8 n ASN 62 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1sd8 s VAL 63 N -3.19 1.05 0.14 3.44 -7.23 -1.26 -5.07 120.40 108.28 1sd8 s VAL 63 Ca 0.36 -1.60 -0.21 0.00 -1.81 0.00 0.00 61.98 58.71 1sd8 s VAL 63 Cb -0.16 -1.35 -0.00 0.00 0.56 0.00 0.00 36.38 35.43 1sd8 s VAL 63 CO 0.44 -0.48 1.67 -0.08 -0.31 0.00 0.00 175.10 176.34 1sd8 h GLU 64 N 3.66 -0.15 -0.19 4.82 4.81 -1.96 -1.16 114.58 124.41 1sd8 h GLU 64 Ca -0.38 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.81 1sd8 h GLU 64 Cb 1.19 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1sd8 h GLU 64 CO 0.50 -0.10 -0.08 -1.00 -0.73 0.00 0.00 179.01 177.60 1sd8 h PRO 65 N -0.15 0.30 -0.58 0.92 0.13 -1.97 -0.70 132.00 129.93 1sd8 h PRO 65 Ca 0.11 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.18 1sd8 h PRO 65 Cb 0.32 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.37 1sd8 h PRO 65 CO -0.27 0.40 0.39 -0.92 -0.23 0.00 0.00 178.00 177.36 1sd8 h TYR 66 N 0.29 0.74 0.47 1.56 5.03 -1.54 0.11 116.97 123.63 1sd8 h TYR 66 Ca 0.06 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.36 1sd8 h TYR 66 Cb 0.34 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.37 1sd8 h TYR 66 CO 0.01 0.47 -0.23 0.93 -1.32 0.00 0.00 178.16 178.02 1sd8 h GLU 67 N 0.79 -0.61 0.00 1.82 4.39 -1.09 -1.88 114.58 118.01 1sd8 h GLU 67 Ca 0.21 0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.81 1sd8 h GLU 67 Cb -0.09 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1sd8 h GLU 67 CO -0.05 -0.31 -0.72 1.96 -1.16 0.00 0.00 179.01 178.74 1sd8 h GLN 68 N -0.89 0.00 -0.00 2.33 4.20 -1.03 -2.33 115.11 117.39 1sd8 h GLN 68 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1sd8 h GLN 68 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1sd8 h GLN 68 CO 0.11 0.72 -0.10 1.28 -0.67 0.00 0.00 178.83 180.17 1sd8 n LEU 69 N -3.59 0.43 -1.23 1.46 4.77 0.01 -4.96 117.00 113.90 1sd8 n LEU 69 Ca -0.00 0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.89 1sd8 n LEU 69 Cb 0.72 -0.18 -0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1sd8 n LEU 69 CO 0.43 0.08 -0.13 0.61 -1.33 0.00 0.00 177.39 177.05 1sd8 n GLY 70 N 1.27 -0.06 0.07 -0.72 0.00 -0.88 -4.90 105.19 99.98 1sd8 n GLY 70 Ca 0.15 -0.44 0.10 0.00 0.00 0.00 0.00 46.02 45.83 1sd8 n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sd8 n LEU 71 N -1.56 0.39 0.20 0.99 4.77 -0.72 -1.80 117.00 119.27 1sd8 n LEU 71 Ca -0.12 0.59 0.07 0.00 -0.03 0.00 0.00 56.01 56.52 1sd8 n LEU 71 Cb 0.59 -0.53 0.57 0.00 -2.33 0.00 0.00 43.42 41.73 1sd8 n LEU 71 CO 0.15 -0.40 1.07 0.00 -1.33 0.00 0.00 177.39 176.88 1sd8 h ALA 72 N 2.40 1.89 -2.54 -1.18 0.00 -1.91 -3.43 119.26 114.49 1sd8 h ALA 72 Ca 0.00 -0.03 -0.48 0.00 0.00 0.00 0.00 54.91 54.40 1sd8 h ALA 72 Cb 0.35 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1sd8 h ALA 72 CO 0.00 0.09 0.38 -1.21 0.00 0.00 0.00 179.25 178.51 1sd8 s GLU 73 N -5.11 4.50 -1.34 0.00 2.02 -0.74 -4.95 118.70 113.07 1sd8 s GLU 73 Ca -0.06 1.46 -0.13 0.00 0.02 0.00 0.00 54.97 56.26 1sd8 s GLU 73 Cb 0.17 -2.82 0.10 0.00 0.10 0.00 0.00 34.13 31.68 1sd8 s GLU 73 CO 0.69 0.17 1.93 -3.47 0.02 0.00 0.00 175.26 174.60 1sd8 n ASP 74 N 0.55 4.61 -0.27 -0.19 4.64 -1.26 -4.40 116.55 120.22 1sd8 n ASP 74 Ca 0.02 -2.95 0.02 0.00 -1.38 0.00 0.00 54.79 50.49 1sd8 n ASP 74 Cb 0.49 -1.61 0.03 0.00 -1.04 0.00 0.00 41.12 38.99 1sd8 n ASP 74 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1sd8 n LYS 75 N 5.78 0.49 -4.56 -0.67 5.02 -1.26 -5.07 118.16 117.89 1sd8 n LYS 75 Ca 0.46 -1.24 -0.24 0.00 -2.02 0.00 0.00 58.31 55.27 1sd8 n LYS 75 Cb 0.40 -0.73 -0.16 0.00 -0.02 0.00 0.00 35.03 34.51 1sd8 n LYS 75 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1sd8 s PHE 76 N -0.64 1.34 0.83 2.13 0.40 -1.26 -5.14 117.98 115.63 1sd8 s PHE 76 Ca 0.06 -0.43 -0.12 0.00 -0.60 0.00 0.00 56.93 55.84 1sd8 s PHE 76 Cb 0.05 -0.96 0.09 0.00 0.51 0.00 0.00 43.02 42.71 1sd8 s PHE 76 CO 0.01 -0.21 1.10 0.95 0.70 0.00 0.00 175.22 177.77 1sd8 s THR 77 N 0.45 2.87 0.26 0.64 -4.23 -1.26 -4.86 115.64 109.51 1sd8 s THR 77 Ca -0.10 0.28 -0.02 0.00 -1.18 0.00 0.00 61.69 60.68 1sd8 s THR 77 Cb -0.13 -2.99 0.26 0.00 1.34 0.00 0.00 72.50 70.98 1sd8 s THR 77 CO 0.02 -0.37 1.85 0.44 -0.54 0.00 0.00 174.62 176.03 1sd8 h ASP 78 N -1.21 0.93 0.54 3.99 3.45 -2.00 -1.81 116.42 120.31 1sd8 h ASP 78 Ca -0.48 0.03 -0.14 0.00 0.43 0.00 0.00 57.03 56.87 1sd8 h ASP 78 Cb 1.28 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.87 1sd8 h ASP 78 CO 0.59 0.55 -0.64 0.44 -1.57 0.00 0.00 179.24 178.61 1sd8 h ASP 79 N 1.04 0.10 -0.29 6.45 5.19 -1.99 0.41 116.42 127.34 1sd8 h ASP 79 Ca 0.44 -0.06 0.04 0.00 -0.62 0.00 0.00 57.03 56.83 1sd8 h ASP 79 Cb 0.30 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 39.74 1sd8 h ASP 79 CO -0.21 0.72 0.07 1.56 -3.12 0.00 0.00 179.24 178.25 1sd8 h GLN 80 N 0.06 0.18 -0.47 3.56 4.20 -1.88 -1.18 115.11 119.58 1sd8 h GLN 80 Ca -0.01 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1sd8 h GLN 80 Cb 1.14 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.87 1sd8 h GLN 80 CO 0.09 0.12 0.04 -0.07 -0.67 0.00 0.00 178.83 178.34 1sd8 h LEU 81 N 0.19 0.78 -0.50 1.46 3.38 -0.79 -1.13 115.31 118.70 1sd8 h LEU 81 Ca 0.13 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.87 1sd8 h LEU 81 Cb 0.12 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1sd8 h LEU 81 CO -0.16 0.86 0.23 0.40 0.09 0.00 0.00 178.44 179.87 1sd8 h ILE 82 N 0.66 0.92 -0.34 1.22 2.04 -0.69 -1.02 117.51 120.30 1sd8 h ILE 82 Ca 0.14 -0.16 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 1sd8 h ILE 82 Cb 0.44 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1sd8 h ILE 82 CO 0.02 0.08 -0.22 0.44 0.00 0.00 0.00 178.15 178.47 1sd8 h ASP 83 N 0.45 0.66 -0.49 1.72 3.45 -0.94 -1.32 116.42 119.94 1sd8 h ASP 83 Ca 0.23 -0.22 0.01 0.00 0.43 0.00 0.00 57.03 57.47 1sd8 h ASP 83 Cb 0.17 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 38.73 1sd8 h ASP 83 CO -0.18 0.87 0.32 -0.26 -1.57 0.00 0.00 179.24 178.42 1sd8 h PHE 84 N 0.57 0.60 -0.82 4.55 0.04 -0.70 -1.92 116.94 119.25 1sd8 h PHE 84 Ca 0.08 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 1sd8 h PHE 84 Cb 0.69 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.60 1sd8 h PHE 84 CO 0.03 0.37 0.47 0.52 -0.60 0.00 0.00 178.31 179.10 1sd8 h MET 85 N 0.65 1.14 -0.37 1.51 2.86 -0.54 0.30 114.93 120.47 1sd8 h MET 85 Ca 0.19 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 1sd8 h MET 85 Cb -0.05 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.37 1sd8 h MET 85 CO -0.05 0.82 -0.15 -0.07 1.06 0.00 0.00 176.91 178.52 1sd8 h LEU 86 N 1.14 0.65 0.00 1.22 3.38 -1.06 -2.67 115.31 117.98 1sd8 h LEU 86 Ca 0.29 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1sd8 h LEU 86 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1sd8 h LEU 86 CO -0.05 0.82 -0.20 1.56 0.09 0.00 0.00 178.44 180.66 1sd8 h GLN 87 N 0.60 0.00 -1.95 1.13 1.08 -1.00 -3.39 115.11 111.58 1sd8 h GLN 87 Ca 0.10 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.77 1sd8 h GLN 87 Cb 0.59 0.00 -0.36 0.00 -0.05 0.00 0.00 27.48 27.66 1sd8 h GLN 87 CO 0.04 0.00 -1.00 0.72 -0.95 0.00 0.00 178.83 177.63 1sd8 n HIS 88 N -2.67 -0.88 0.16 2.96 8.25 0.06 -5.02 115.22 118.08 1sd8 n HIS 88 Ca 0.04 -3.28 0.11 0.00 -0.26 0.00 0.00 57.72 54.33 1sd8 n HIS 88 Cb 0.49 0.04 0.57 0.00 1.12 0.00 0.00 29.99 32.21 1sd8 n HIS 88 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1sd8 n PRO 89 N 1.94 0.14 0.27 -0.41 -0.02 -1.02 -1.05 135.00 134.85 1sd8 n PRO 89 Ca 0.23 0.63 0.19 0.00 -2.02 0.00 0.00 63.50 62.52 1sd8 n PRO 89 Cb 0.52 -1.94 0.93 0.00 -0.02 0.00 0.00 33.50 32.98 1sd8 n PRO 89 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1sd8 h ILE 90 N 0.00 0.00 0.00 4.25 2.10 -1.89 -1.55 117.51 120.42 1sd8 h ILE 90 Ca 0.00 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.81 1sd8 h ILE 90 Cb 0.01 1.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.74 1sd8 h ILE 90 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1sd8 n LEU 91 N -2.85 0.21 -4.62 2.19 4.77 -0.21 -4.68 117.00 111.81 1sd8 n LEU 91 Ca -0.02 0.54 -0.42 0.00 -0.03 0.00 0.00 56.01 56.08 1sd8 n LEU 91 Cb 0.13 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.68 1sd8 n LEU 91 CO 0.19 -0.24 0.67 -0.63 -1.33 0.00 0.00 177.39 176.06 1sd8 s ILE 92 N -3.07 4.72 0.96 -0.08 1.01 -0.58 -0.46 121.20 123.70 1sd8 s ILE 92 Ca 0.09 1.29 -0.12 0.00 0.00 0.00 0.00 60.65 61.90 1sd8 s ILE 92 Cb 0.12 -4.22 0.17 0.00 0.01 0.00 0.00 42.46 38.54 1sd8 s ILE 92 CO 0.39 -0.32 1.09 0.21 0.00 0.00 0.00 174.94 176.31 1sd8 s ASN 93 N 1.64 2.87 0.01 3.58 3.84 0.38 -4.75 114.94 122.51 1sd8 s ASN 93 Ca 0.35 1.39 -0.20 0.00 0.21 0.00 0.00 52.86 54.62 1sd8 s ASN 93 Cb -0.14 -2.07 0.04 0.00 -0.55 0.00 0.00 41.25 38.54 1sd8 s ASN 93 CO 0.13 -3.01 0.43 0.00 -2.79 0.00 0.00 177.10 171.87 1sd8 s ARG 94 N -4.89 0.87 0.19 0.43 3.03 -1.26 -4.48 118.95 112.84 1sd8 s ARG 94 Ca 0.65 -0.19 -0.10 0.00 2.03 0.00 0.00 55.73 58.12 1sd8 s ARG 94 Cb -0.19 0.39 -0.07 0.00 -1.03 0.00 0.00 34.95 34.05 1sd8 s ARG 94 CO 0.58 -0.28 0.52 -1.25 -1.13 0.00 0.00 175.30 173.74 1sd8 s PRO 95 N -1.85 3.81 -0.10 3.89 0.04 -1.26 -4.71 135.00 134.81 1sd8 s PRO 95 Ca -0.09 0.26 -0.15 0.00 0.04 0.00 0.00 61.00 61.06 1sd8 s PRO 95 Cb -0.02 -2.74 -0.05 0.00 0.04 0.00 0.00 34.50 31.73 1sd8 s PRO 95 CO 0.02 0.38 0.37 0.42 0.04 0.00 0.00 177.00 178.23 1sd8 s ILE 96 N -1.71 5.20 -0.05 0.56 1.01 -1.19 -0.71 121.20 124.31 1sd8 s ILE 96 Ca 0.44 0.74 0.04 0.00 0.00 0.00 0.00 60.65 61.87 1sd8 s ILE 96 Cb -0.12 -3.70 -0.00 0.00 0.01 0.00 0.00 42.46 38.65 1sd8 s ILE 96 CO 0.21 0.43 -0.18 -0.69 0.00 0.00 0.00 174.94 174.71 1sd8 s VAL 97 N 0.01 1.50 -0.13 2.92 1.01 -0.56 -0.51 120.40 124.64 1sd8 s VAL 97 Ca 0.21 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1sd8 s VAL 97 Cb -0.15 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 1sd8 s VAL 97 CO 0.08 0.43 -0.17 -0.69 0.00 0.00 0.00 175.10 174.76 1sd8 s VAL 98 N 0.06 2.64 0.31 2.92 1.01 0.31 -1.41 120.40 126.23 1sd8 s VAL 98 Ca -0.05 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1sd8 s VAL 98 Cb -0.12 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 1sd8 s VAL 98 CO 0.03 0.53 0.11 0.42 0.00 0.00 0.00 175.10 176.19 1sd8 s THR 99 N 0.55 0.60 0.58 3.92 -4.23 -0.14 -0.92 115.64 116.01 1sd8 s THR 99 Ca -0.10 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.69 1sd8 s THR 99 Cb -0.16 -2.59 0.35 0.00 1.34 0.00 0.00 72.50 71.44 1sd8 s THR 99 CO 0.04 0.00 2.17 -0.65 -0.54 0.00 0.00 174.62 175.64 1sd8 h PRO 100 N 2.20 0.00 0.00 3.99 0.11 -1.86 -2.21 132.00 134.24 1sd8 h PRO 100 Ca -0.37 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.70 1sd8 h PRO 100 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1sd8 h PRO 100 CO 0.59 0.00 -0.20 -0.07 -0.21 0.00 0.00 178.00 178.11 1sd8 h LEU 101 N 0.00 0.00 0.00 2.35 3.38 -1.96 -3.50 115.31 115.58 1sd8 h LEU 101 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1sd8 h LEU 101 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1sd8 h LEU 101 CO -0.00 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.34 1sd8 n GLY 102 N 0.76 -2.50 3.08 0.83 0.00 -0.83 -5.01 105.19 101.52 1sd8 n GLY 102 Ca 0.02 -1.29 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 1sd8 n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sd8 s THR 103 N -2.27 1.17 0.02 2.61 2.01 -1.26 -0.96 115.64 116.95 1sd8 s THR 103 Ca 0.00 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.44 1sd8 s THR 103 Cb 0.00 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.48 1sd8 s THR 103 CO 0.00 0.35 -0.03 -0.13 -0.69 0.00 0.00 174.62 174.11 1sd8 s ARG 104 N 0.15 0.28 -0.42 4.92 1.81 -0.50 -4.08 118.95 121.11 1sd8 s ARG 104 Ca -0.04 -0.46 -0.29 0.00 -1.72 0.00 0.00 55.73 53.22 1sd8 s ARG 104 Cb -0.11 -0.03 0.01 0.00 -0.45 0.00 0.00 34.95 34.38 1sd8 s ARG 104 CO 0.02 -0.01 1.37 -1.17 -0.68 0.00 0.00 175.30 174.82 1sd8 s LEU 105 N -1.03 3.60 -1.26 2.53 2.96 -1.26 -1.49 118.68 122.72 1sd8 s LEU 105 Ca -0.10 0.77 -0.09 0.00 -0.22 0.00 0.00 54.13 54.49 1sd8 s LEU 105 Cb -0.07 -3.54 0.18 0.00 0.50 0.00 0.00 46.19 43.26 1sd8 s LEU 105 CO -0.00 -1.40 1.82 0.00 -1.32 0.00 0.00 176.35 175.45 1sd8 s ARG 107 N 0.16 1.00 0.89 0.00 0.52 -1.26 -2.90 118.95 117.36 1sd8 s ARG 107 Ca 0.39 -0.93 -0.12 0.00 -0.52 0.00 0.00 55.73 54.55 1sd8 s ARG 107 Cb 0.09 -2.28 0.13 0.00 0.52 0.00 0.00 34.95 33.41 1sd8 s ARG 107 CO 0.01 -0.78 1.13 -1.25 0.02 0.00 0.00 175.30 174.43 1sd8 s PRO 108 N 1.57 1.32 0.38 3.54 0.04 -1.26 -4.95 135.00 135.64 1sd8 s PRO 108 Ca 0.03 0.36 0.08 0.00 0.04 0.00 0.00 61.00 61.51 1sd8 s PRO 108 Cb -0.18 -1.85 0.82 0.00 0.04 0.00 0.00 34.50 33.33 1sd8 s PRO 108 CO -0.14 -2.09 1.96 0.66 0.04 0.00 0.00 177.00 177.43 1sd8 h SER 109 N -1.42 0.58 0.32 6.66 4.64 -1.81 -1.66 113.55 120.87 1sd8 h SER 109 Ca -0.50 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1sd8 h SER 109 Cb 1.32 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1sd8 h SER 109 CO 0.61 0.37 0.00 -1.84 -0.87 0.00 0.00 176.83 175.10 1sd8 n GLU 110 N -4.48 0.17 0.07 4.77 0.00 -1.26 -1.36 120.64 118.55 1sd8 n GLU 110 Ca 0.10 0.17 0.19 0.00 0.00 0.00 0.00 57.16 57.62 1sd8 n GLU 110 Cb 0.27 -1.50 0.72 0.00 0.00 0.00 0.00 31.44 30.93 1sd8 n GLU 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1sd8 h VAL 111 N 0.00 0.66 0.00 3.84 2.07 -1.62 -1.97 116.25 119.23 1sd8 h VAL 111 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1sd8 h VAL 111 Cb 0.16 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1sd8 h VAL 111 CO 0.00 0.00 -0.03 1.62 0.02 0.00 0.00 177.57 179.18 1sd8 h VAL 112 N 0.00 0.34 0.00 2.57 3.04 -1.45 -0.91 116.25 119.84 1sd8 h VAL 112 Ca 0.20 -0.18 -0.00 0.00 -1.01 0.00 0.00 66.70 65.70 1sd8 h VAL 112 Cb 0.85 1.13 -0.00 0.00 -2.01 0.00 0.00 31.29 31.26 1sd8 h VAL 112 CO -0.00 0.03 -0.02 -0.07 -1.01 0.00 0.00 177.57 176.50 1sd8 h LEU 113 N 0.00 0.00 -1.15 3.16 3.38 -1.59 -1.61 115.31 117.51 1sd8 h LEU 113 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1sd8 h LEU 113 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1sd8 h LEU 113 CO 0.00 0.02 0.16 0.44 0.09 0.00 0.00 178.44 179.15 1sd8 h ASP 114 N 0.00 0.70 -0.01 -0.43 3.45 -1.35 -3.25 116.42 115.52 1sd8 h ASP 114 Ca -0.00 -0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.36 1sd8 h ASP 114 Cb 0.05 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 38.64 1sd8 h ASP 114 CO 0.00 0.67 -0.07 2.30 -1.57 0.00 0.00 179.24 180.57 1sd8 n ILE 115 N -4.31 0.00 -2.65 0.35 -5.35 -0.65 -4.91 119.36 101.84 1sd8 n ILE 115 Ca 0.04 -0.46 -0.43 0.00 -0.27 0.00 0.00 62.75 61.63 1sd8 n ILE 115 Cb 0.19 1.22 -0.02 0.00 -1.74 0.00 0.00 39.64 39.29 1sd8 n ILE 115 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1sd8 s LEU 116 N -1.22 4.19 0.18 7.28 1.43 -0.92 -4.47 118.68 125.14 1sd8 s LEU 116 Ca 0.13 1.50 -0.09 0.00 -1.03 0.00 0.00 54.13 54.64 1sd8 s LEU 116 Cb 0.10 -3.55 0.05 0.00 0.03 0.00 0.00 46.19 42.82 1sd8 s LEU 116 CO 0.19 -0.55 1.59 1.56 0.23 0.00 0.00 176.35 179.36 1sd8 h GLN 117 N 7.30 0.98 -5.89 1.70 4.20 -1.91 -3.44 115.11 118.06 1sd8 h GLN 117 Ca -0.26 -0.39 -0.66 0.00 0.06 0.00 0.00 58.65 57.39 1sd8 h GLN 117 Cb 1.11 -0.05 -0.10 0.00 0.30 0.00 0.00 27.48 28.75 1sd8 h GLN 117 CO 0.91 1.07 -0.55 -0.51 -0.67 0.00 0.00 178.83 179.07 1sd8 s ASP 118 N -6.70 5.85 0.66 1.46 1.01 -1.26 -5.07 116.67 112.62 1sd8 s ASP 118 Ca -0.11 0.25 -0.17 0.00 0.71 0.00 0.00 52.55 53.23 1sd8 s ASP 118 Cb 0.13 -1.75 0.00 0.00 1.01 0.00 0.00 42.92 42.31 1sd8 s ASP 118 CO 0.86 0.32 1.22 0.00 0.21 0.00 0.00 175.17 177.78 1sd8 s ALA 119 N -1.12 2.33 0.23 5.23 0.00 -1.26 -4.76 121.76 122.41 1sd8 s ALA 119 Ca 0.20 0.96 -0.31 0.00 0.00 0.00 0.00 51.96 52.81 1sd8 s ALA 119 Cb -0.12 -3.47 -0.14 0.00 0.00 0.00 0.00 23.12 19.39 1sd8 s ALA 119 CO 0.10 -1.54 1.20 1.04 0.00 0.00 0.00 175.76 176.56 1sd8 n GLN 120 N -2.17 1.50 0.02 0.00 1.13 -1.26 -4.56 117.38 112.04 1sd8 n GLN 120 Ca 0.14 0.53 0.14 0.00 -1.94 0.00 0.00 57.00 55.87 1sd8 n GLN 120 Cb 0.50 -2.04 0.56 0.00 0.11 0.00 0.00 30.24 29.37 1sd8 n GLN 120 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1sd8 n LYS 121 N 1.52 0.05 -3.84 -1.09 5.02 0.05 -4.92 118.16 114.95 1sd8 n LYS 121 Ca 0.12 0.04 -0.01 0.00 -2.02 0.00 0.00 58.31 56.45 1sd8 n LYS 121 Cb 0.29 -1.56 0.02 0.00 -0.02 0.00 0.00 35.03 33.75 1sd8 n LYS 121 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sd8 n GLY 122 N 1.46 0.46 3.63 0.72 0.00 -1.26 -5.11 105.19 105.08 1sd8 n GLY 122 Ca 0.07 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 1sd8 n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sd8 n ALA 123 N -0.92 0.22 -3.73 4.61 0.00 -1.25 -4.85 120.51 114.60 1sd8 n ALA 123 Ca -0.12 -0.02 -0.24 0.00 0.00 0.00 0.00 53.44 53.05 1sd8 n ALA 123 Cb 0.56 -2.13 -0.17 0.00 0.00 0.00 0.00 19.45 17.71 1sd8 n ALA 123 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1sd8 s PHE 124 N -1.54 1.21 -0.10 0.00 2.19 -0.50 -4.98 117.98 114.27 1sd8 s PHE 124 Ca 0.77 -0.50 0.04 0.00 0.33 0.00 0.00 56.93 57.57 1sd8 s PHE 124 Cb -0.40 -1.02 0.00 0.00 -1.31 0.00 0.00 43.02 40.29 1sd8 s PHE 124 CO 0.46 -0.37 -0.23 0.99 1.83 0.00 0.00 175.22 177.91 1sd8 s THR 125 N 1.35 1.96 1.01 0.12 2.01 -1.26 -0.71 115.64 120.13 1sd8 s THR 125 Ca -0.03 -0.96 -0.11 0.00 0.31 0.00 0.00 61.69 60.90 1sd8 s THR 125 Cb -0.14 -1.71 0.20 0.00 0.01 0.00 0.00 72.50 70.87 1sd8 s THR 125 CO -0.03 0.54 1.09 -0.54 -0.69 0.00 0.00 174.62 174.99 1sd8 s LYS 126 N 0.40 0.28 0.53 4.92 1.02 0.46 -4.85 119.74 122.50 1sd8 s LYS 126 Ca -0.18 1.19 0.22 0.00 0.02 0.00 0.00 55.97 57.21 1sd8 s LYS 126 Cb -0.18 -1.67 1.44 0.00 -0.52 0.00 0.00 37.83 36.91 1sd8 s LYS 126 CO 0.08 -3.02 2.16 1.05 -0.92 0.00 0.00 175.35 174.70 1sd8 h GLU 127 N -2.13 0.00 -0.15 1.68 4.11 -1.94 -0.94 114.58 115.20 1sd8 h GLU 127 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1sd8 h GLU 127 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1sd8 h GLU 127 CO 0.47 0.04 0.00 -0.40 0.07 0.00 0.00 179.01 179.18 1sd8 n ASP 128 N -4.19 1.33 0.00 3.06 5.75 -1.26 -4.89 116.55 116.35 1sd8 n ASP 128 Ca -0.03 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 1sd8 n ASP 128 Cb 0.12 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1sd8 n ASP 128 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sd8 n GLY 129 N 1.04 0.33 3.65 6.12 0.00 -0.36 -5.05 105.19 110.93 1sd8 n GLY 129 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1sd8 n GLY 129 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sd8 s GLU 130 N -0.99 4.07 0.22 1.61 2.12 -1.26 -4.75 118.70 119.73 1sd8 s GLU 130 Ca 0.00 1.95 -0.30 0.00 0.36 0.00 0.00 54.97 56.99 1sd8 s GLU 130 Cb 0.00 -3.97 -0.09 0.00 0.26 0.00 0.00 34.13 30.34 1sd8 s GLU 130 CO 0.00 -0.96 1.18 0.15 -0.54 0.00 0.00 175.26 175.09 1sd8 s LYS 131 N 4.14 4.52 0.00 4.30 1.02 -1.26 -0.40 119.74 132.06 1sd8 s LYS 131 Ca 0.70 1.88 -0.06 0.00 0.02 0.00 0.00 55.97 58.51 1sd8 s LYS 131 Cb -0.29 -3.21 -0.02 0.00 -0.52 0.00 0.00 37.83 33.79 1sd8 s LYS 131 CO 0.27 -0.01 -0.11 0.28 -0.92 0.00 0.00 175.35 174.85 1sd8 n VAL 132 N 2.00 1.27 -4.48 3.17 0.31 0.11 -4.72 118.33 116.00 1sd8 n VAL 132 Ca 0.02 0.29 -0.22 0.00 -0.01 0.00 0.00 64.34 64.43 1sd8 n VAL 132 Cb 0.44 -1.82 -0.14 0.00 -0.91 0.00 0.00 33.84 31.41 1sd8 n VAL 132 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1sd8 s VAL 133 N -2.29 1.29 0.73 2.52 -7.23 -0.88 -1.28 120.40 113.26 1sd8 s VAL 133 Ca -0.10 -1.02 -0.07 0.00 -1.81 0.00 0.00 61.98 58.98 1sd8 s VAL 133 Cb 0.02 -1.14 0.16 0.00 0.56 0.00 0.00 36.38 35.98 1sd8 s VAL 133 CO 0.14 0.10 1.00 -0.90 -0.31 0.00 0.00 175.10 175.13 1sd8 n ASP 134 N 1.97 0.62 0.16 4.85 3.85 -0.53 -1.41 116.55 126.07 1sd8 n ASP 134 Ca -0.17 -1.69 0.01 0.00 -0.71 0.00 0.00 54.79 52.23 1sd8 n ASP 134 Cb 0.54 -0.71 0.33 0.00 -1.35 0.00 0.00 41.12 39.92 1sd8 n ASP 134 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1sd8 h GLU 135 N 0.00 0.08 0.00 0.11 4.57 -1.91 -0.11 114.58 117.32 1sd8 h GLU 135 Ca -0.33 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.82 1sd8 h GLU 135 Cb 1.03 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.62 1sd8 h GLU 135 CO 0.28 0.43 -0.01 0.00 -1.18 0.00 0.00 179.01 178.54 1sd8 h ALA 136 N 1.57 1.00 0.00 2.92 0.00 -1.95 -3.41 119.26 119.39 1sd8 h ALA 136 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sd8 h ALA 136 Cb 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1sd8 h ALA 136 CO 0.05 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1sd8 n GLY 137 N -0.21 0.80 3.75 0.00 0.00 -0.06 -5.08 105.19 104.38 1sd8 n GLY 137 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1sd8 n GLY 137 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sd8 s LYS 138 N -0.92 4.55 0.23 1.61 2.20 -1.26 -4.76 119.74 121.39 1sd8 s LYS 138 Ca 0.00 1.15 -0.30 0.00 -0.36 0.00 0.00 55.97 56.46 1sd8 s LYS 138 Cb 0.00 -3.35 -0.10 0.00 -1.51 0.00 0.00 37.83 32.87 1sd8 s LYS 138 CO 0.00 0.31 1.51 1.03 -0.36 0.00 0.00 175.35 177.84 1sd8 s ARG 139 N -0.21 4.23 0.00 4.03 1.81 -1.26 -1.45 118.95 126.10 1sd8 s ARG 139 Ca 0.40 2.37 0.29 0.00 -1.72 0.00 0.00 55.73 57.06 1sd8 s ARG 139 Cb -0.21 -3.11 1.29 0.00 -0.45 0.00 0.00 34.95 32.47 1sd8 s ARG 139 CO 0.25 -0.52 1.88 1.28 -0.68 0.00 0.00 175.30 177.51