#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ouw s PRO 4 N 0.00 3.12 0.06 5.55 0.02 -1.26 -5.05 135.00 137.44 1ouw s PRO 4 Ca 0.00 1.68 0.05 0.00 0.02 0.00 0.00 61.00 62.75 1ouw s PRO 4 Cb 0.00 -1.97 -0.03 0.00 0.02 0.00 0.00 34.50 32.53 1ouw s PRO 4 CO 0.00 -1.05 -0.15 -1.64 -0.33 0.00 0.00 177.00 173.83 1ouw s MET 5 N -3.40 0.90 0.53 5.54 -1.94 -1.26 -5.13 119.30 114.54 1ouw s MET 5 Ca 0.74 -0.92 -0.21 0.00 -1.71 0.00 0.00 55.69 53.59 1ouw s MET 5 Cb -0.26 -0.94 -0.06 0.00 2.01 0.00 0.00 34.83 35.58 1ouw s MET 5 CO 0.31 0.22 1.21 -0.51 -0.01 0.00 0.00 175.02 176.24 1ouw s ASP 6 N -1.57 5.63 0.20 3.03 1.01 -1.26 -4.94 116.67 118.78 1ouw s ASP 6 Ca 0.00 2.39 -0.31 0.00 0.71 0.00 0.00 52.55 55.35 1ouw s ASP 6 Cb -0.09 -2.60 -0.10 0.00 1.01 0.00 0.00 42.92 41.14 1ouw s ASP 6 CO 0.02 -1.29 1.47 -0.89 0.21 0.00 0.00 175.17 174.69 1ouw s THR 7 N -1.55 2.74 -0.12 -1.27 2.01 -1.16 -4.68 115.64 111.60 1ouw s THR 7 Ca 0.71 0.58 -0.14 0.00 0.31 0.00 0.00 61.69 63.14 1ouw s THR 7 Cb -0.30 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 1ouw s THR 7 CO 0.35 0.07 0.34 -0.63 -0.69 0.00 0.00 174.62 174.06 1ouw s ILE 8 N 0.51 5.24 -0.04 1.82 1.01 -1.26 -0.61 121.20 127.88 1ouw s ILE 8 Ca 0.63 0.65 0.03 0.00 0.00 0.00 0.00 60.65 61.97 1ouw s ILE 8 Cb -0.42 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 1ouw s ILE 8 CO 0.38 0.43 -0.10 -0.44 0.00 0.00 0.00 174.94 175.21 1ouw s SER 9 N 0.06 4.36 0.50 3.58 0.01 -0.21 -4.98 113.70 117.02 1ouw s SER 9 Ca 0.19 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1ouw s SER 9 Cb -0.14 -0.99 0.00 0.00 0.21 0.00 0.00 66.02 65.10 1ouw s SER 9 CO 0.07 0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.66 1ouw n GLY 10 N 2.04 1.32 3.71 3.44 0.00 -1.26 -1.40 105.19 113.05 1ouw n GLY 10 Ca -0.17 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 1ouw n GLY 10 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ouw s PRO 11 N 0.00 1.83 0.07 1.61 0.02 -1.26 -4.94 135.00 132.33 1ouw s PRO 11 Ca 0.00 1.75 0.01 0.00 0.02 0.00 0.00 61.00 62.79 1ouw s PRO 11 Cb 0.00 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.68 1ouw s PRO 11 CO 0.00 -2.07 0.17 -1.58 -0.33 0.00 0.00 177.00 173.19 1ouw s TRP 12 N -2.09 3.40 0.00 6.54 0.51 0.54 -4.87 118.94 122.97 1ouw s TRP 12 Ca 0.73 0.19 0.00 0.00 -2.12 0.00 0.00 56.10 54.90 1ouw s TRP 12 Cb -0.29 -1.71 0.00 0.00 -0.81 0.00 0.00 33.47 30.66 1ouw s TRP 12 CO 0.49 0.56 0.00 0.41 -0.51 0.00 0.00 176.95 177.90 1ouw n GLY 13 N 0.31 0.17 1.45 0.98 0.00 -1.26 -0.89 105.19 105.95 1ouw n GLY 13 Ca -0.06 -1.72 -0.08 0.00 0.00 0.00 0.00 46.02 44.16 1ouw n GLY 13 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ouw n ASN 14 N 0.00 -0.45 -0.47 1.61 0.23 -0.45 -4.98 115.26 110.75 1ouw n ASN 14 Ca 0.00 -1.90 0.07 0.00 -0.53 0.00 0.00 54.58 52.22 1ouw n ASN 14 Cb 0.00 0.92 0.26 0.00 -2.08 0.00 0.00 39.78 38.88 1ouw n ASN 14 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1ouw n ASN 15 N -2.18 1.39 -4.40 0.53 2.04 -1.26 -4.43 115.26 106.95 1ouw n ASN 15 Ca 0.02 -1.83 -0.29 0.00 -0.44 0.00 0.00 54.58 52.04 1ouw n ASN 15 Cb 0.26 -0.13 0.21 0.00 -2.53 0.00 0.00 39.78 37.59 1ouw n ASN 15 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 1ouw s GLY 16 N -1.28 1.55 0.04 4.83 0.00 -1.26 -4.91 107.32 106.30 1ouw s GLY 16 Ca 0.25 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1ouw s GLY 16 CO 0.19 0.21 0.00 0.61 0.00 0.00 0.00 173.10 174.11 1ouw n GLY 17 N -0.68 -1.62 3.62 0.20 0.00 -1.26 -4.44 105.19 101.01 1ouw n GLY 17 Ca 0.07 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 1ouw n GLY 17 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ouw s ASN 18 N -4.17 4.64 0.44 1.61 0.01 0.17 -4.74 114.94 112.91 1ouw s ASN 18 Ca 0.00 -0.29 -0.25 0.00 -0.71 0.00 0.00 52.86 51.61 1ouw s ASN 18 Cb 0.00 -0.99 -0.08 0.00 0.41 0.00 0.00 41.25 40.60 1ouw s ASN 18 CO 0.00 0.19 1.31 0.12 -1.51 0.00 0.00 177.10 177.20 1ouw s PHE 19 N -1.23 2.69 0.04 2.20 5.36 -1.26 -0.68 117.98 125.10 1ouw s PHE 19 Ca 0.23 1.40 -0.02 0.00 -0.96 0.00 0.00 56.93 57.58 1ouw s PHE 19 Cb -0.11 -3.68 -0.03 0.00 -0.34 0.00 0.00 43.02 38.86 1ouw s PHE 19 CO 0.15 -2.25 -0.00 1.67 -1.46 0.00 0.00 175.22 173.32 1ouw s TRP 20 N -1.30 0.39 -0.18 10.12 1.48 -0.19 -4.87 118.94 124.37 1ouw s TRP 20 Ca 0.61 -0.82 -0.18 0.00 -1.06 0.00 0.00 56.10 54.65 1ouw s TRP 20 Cb -0.38 -0.29 0.05 0.00 -1.16 0.00 0.00 33.47 31.70 1ouw s TRP 20 CO 0.47 -0.33 0.51 0.45 -4.06 0.00 0.00 176.95 173.99 1ouw s SER 21 N -2.41 -0.53 -0.26 -2.66 0.15 -1.26 -1.20 113.70 105.53 1ouw s SER 21 Ca -0.01 0.99 -0.01 0.00 0.70 0.00 0.00 55.95 57.62 1ouw s SER 21 Cb 0.02 1.01 0.15 0.00 -1.71 0.00 0.00 66.02 65.48 1ouw s SER 21 CO -0.07 -0.20 0.40 0.12 1.20 0.00 0.00 173.24 174.69 1ouw s PHE 22 N 0.18 -0.93 -0.38 3.44 5.36 0.28 -4.99 117.98 120.95 1ouw s PHE 22 Ca -0.01 0.66 0.01 0.00 -0.96 0.00 0.00 56.93 56.63 1ouw s PHE 22 Cb -0.04 -0.03 0.12 0.00 -0.34 0.00 0.00 43.02 42.74 1ouw s PHE 22 CO 0.01 -0.83 0.18 0.50 -1.46 0.00 0.00 175.22 173.62 1ouw s ARG 23 N 2.56 0.93 0.62 10.12 3.00 -1.26 -1.03 118.95 133.89 1ouw s ARG 23 Ca 0.12 -1.53 -0.10 0.00 -1.00 0.00 0.00 55.73 53.22 1ouw s ARG 23 Cb -0.14 -2.00 -0.02 0.00 0.00 0.00 0.00 34.95 32.78 1ouw s ARG 23 CO -0.22 -1.11 1.01 -1.25 0.00 0.00 0.00 175.30 173.74 1ouw s PRO 24 N 0.96 3.37 0.23 5.12 0.04 -1.26 -4.99 135.00 138.48 1ouw s PRO 24 Ca 0.15 0.58 0.06 0.00 0.04 0.00 0.00 61.00 61.82 1ouw s PRO 24 Cb -0.22 -2.11 0.20 0.00 0.04 0.00 0.00 34.50 32.42 1ouw s PRO 24 CO -0.09 -0.65 1.52 -0.39 0.04 0.00 0.00 177.00 177.43 1ouw h VAL 25 N -0.33 1.45 -1.25 -0.36 -1.51 -1.99 -3.45 116.25 108.80 1ouw h VAL 25 Ca -0.45 -2.25 -0.45 0.00 -1.23 0.00 0.00 66.70 62.32 1ouw h VAL 25 Cb 1.21 2.20 0.03 0.00 -2.13 0.00 0.00 31.29 32.60 1ouw h VAL 25 CO 0.62 0.65 -0.17 0.20 -1.23 0.00 0.00 177.57 177.65 1ouw s ASN 26 N -6.88 5.36 0.32 4.19 0.01 -1.26 -5.06 114.94 111.62 1ouw s ASN 26 Ca -0.03 -0.57 -0.29 0.00 -0.71 0.00 0.00 52.86 51.26 1ouw s ASN 26 Cb 0.12 -0.25 -0.10 0.00 0.41 0.00 0.00 41.25 41.42 1ouw s ASN 26 CO 0.79 -1.06 1.37 -0.75 -1.51 0.00 0.00 177.10 175.94 1ouw s LYS 27 N -4.53 4.29 -0.30 -0.60 2.20 -1.26 -4.94 119.74 114.60 1ouw s LYS 27 Ca 0.58 2.30 -0.29 0.00 -0.36 0.00 0.00 55.97 58.21 1ouw s LYS 27 Cb -0.08 -3.06 -0.01 0.00 -1.51 0.00 0.00 37.83 33.17 1ouw s LYS 27 CO 0.36 -0.31 1.49 0.42 -0.36 0.00 0.00 175.35 176.95 1ouw s ILE 28 N -0.81 3.86 -0.65 5.43 1.01 -1.26 -4.23 121.20 124.55 1ouw s ILE 28 Ca 0.53 0.95 0.06 0.00 0.00 0.00 0.00 60.65 62.18 1ouw s ILE 28 Cb -0.41 -3.95 0.03 0.00 0.01 0.00 0.00 42.46 38.13 1ouw s ILE 28 CO 0.52 -0.46 0.60 -0.46 0.00 0.00 0.00 174.94 175.13 1ouw n ASN 29 N 8.44 1.26 -3.77 3.58 6.94 -0.81 -4.83 115.26 126.06 1ouw n ASN 29 Ca 0.17 -1.13 -0.13 0.00 -0.02 0.00 0.00 54.58 53.48 1ouw n ASN 29 Cb 0.46 0.20 -0.11 0.00 -2.36 0.00 0.00 39.78 37.97 1ouw n ASN 29 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 1ouw s GLN 30 N -0.70 0.34 -0.04 -3.83 0.74 -1.11 -0.96 119.66 114.11 1ouw s GLN 30 Ca 0.06 0.41 0.01 0.00 0.05 0.00 0.00 55.36 55.89 1ouw s GLN 30 Cb 0.05 0.17 0.02 0.00 1.10 0.00 0.00 33.01 34.34 1ouw s GLN 30 CO 0.10 -0.04 -0.05 0.42 -0.55 0.00 0.00 175.29 175.17 1ouw s ILE 31 N 0.16 0.57 -0.18 -2.34 1.01 -0.42 -1.48 121.20 118.52 1ouw s ILE 31 Ca -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 60.65 60.46 1ouw s ILE 31 Cb -0.02 -0.57 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 1ouw s ILE 31 CO 0.00 0.22 -0.09 -0.69 0.00 0.00 0.00 174.94 174.38 1ouw s VAL 32 N 0.69 3.15 -0.24 2.92 1.01 0.05 -0.29 120.40 127.69 1ouw s VAL 32 Ca -0.09 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 1ouw s VAL 32 Cb -0.13 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 1ouw s VAL 32 CO 0.00 0.48 0.22 -0.63 0.00 0.00 0.00 175.10 175.18 1ouw s ILE 33 N 0.94 5.31 -0.16 2.22 1.09 0.35 -0.83 121.20 130.12 1ouw s ILE 33 Ca -0.02 0.31 -0.08 0.00 -1.10 0.00 0.00 60.65 59.76 1ouw s ILE 33 Cb -0.15 -3.56 -0.04 0.00 -1.06 0.00 0.00 42.46 37.65 1ouw s ILE 33 CO -0.00 0.31 0.12 -0.44 -0.10 0.00 0.00 174.94 174.82 1ouw s SER 34 N 1.17 6.15 0.15 3.58 0.01 -0.42 -1.50 113.70 122.84 1ouw s SER 34 Ca 0.10 0.30 0.06 0.00 1.31 0.00 0.00 55.95 57.73 1ouw s SER 34 Cb -0.14 -2.03 -0.04 0.00 0.21 0.00 0.00 66.02 64.02 1ouw s SER 34 CO 0.06 0.28 0.01 -0.31 0.41 0.00 0.00 173.24 173.69 1ouw s TYR 35 N -0.26 2.91 0.30 2.43 2.02 0.34 -0.60 117.35 124.48 1ouw s TYR 35 Ca 0.10 -0.09 0.02 0.00 -0.37 0.00 0.00 57.07 56.73 1ouw s TYR 35 Cb -0.12 -1.44 -0.05 0.00 -0.40 0.00 0.00 41.96 39.95 1ouw s TYR 35 CO 0.01 0.50 0.09 0.20 -1.57 0.00 0.00 175.55 174.79 1ouw s GLY 36 N -2.75 1.95 -0.15 0.71 0.00 -0.41 -0.67 107.32 105.99 1ouw s GLY 36 Ca 0.27 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 43.13 1ouw s GLY 36 CO 0.19 -1.68 0.00 0.61 0.00 0.00 0.00 173.10 172.22 1ouw n GLY 37 N -0.58 0.48 2.50 0.20 0.00 -1.25 -3.07 105.19 103.47 1ouw n GLY 37 Ca -0.01 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 1ouw n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ouw n GLY 38 N -2.09 1.67 1.03 -0.02 0.00 -1.26 -4.97 105.19 99.55 1ouw n GLY 38 Ca -0.01 -0.19 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 1ouw n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ouw n GLY 39 N -0.85 3.70 2.46 -0.02 0.00 -1.17 -5.05 105.19 104.26 1ouw n GLY 39 Ca -0.17 -1.77 -0.37 0.00 0.00 0.00 0.00 46.02 43.70 1ouw n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ouw n ASN 40 N -2.47 7.73 -4.46 1.61 3.02 -1.26 -4.05 115.26 115.39 1ouw n ASN 40 Ca 0.02 -3.12 -0.43 0.00 -0.03 0.00 0.00 54.58 51.02 1ouw n ASN 40 Cb 0.19 -1.35 -0.08 0.00 -0.61 0.00 0.00 39.78 37.93 1ouw n ASN 40 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1ouw s ASN 41 N 0.48 6.18 0.19 6.41 0.01 -1.25 -3.11 114.94 123.85 1ouw s ASN 41 Ca 0.56 -0.87 -0.32 0.00 -0.71 0.00 0.00 52.86 51.52 1ouw s ASN 41 Cb 0.23 -2.22 -0.11 0.00 0.41 0.00 0.00 41.25 39.56 1ouw s ASN 41 CO -0.12 -0.63 1.61 -2.84 -1.51 0.00 0.00 177.10 173.62 1ouw s PRO 42 N 2.06 4.18 -0.01 -0.60 0.02 -1.26 -1.29 135.00 138.10 1ouw s PRO 42 Ca 0.10 2.45 0.01 0.00 0.02 0.00 0.00 61.00 63.58 1ouw s PRO 42 Cb -0.19 -3.12 -0.02 0.00 0.02 0.00 0.00 34.50 31.19 1ouw s PRO 42 CO 0.11 -0.65 0.02 0.44 -0.33 0.00 0.00 177.00 176.60 1ouw n ILE 43 N 3.80 0.03 -3.75 2.83 -5.35 0.23 -4.77 119.36 112.38 1ouw n ILE 43 Ca 0.14 -0.04 -0.11 0.00 -0.27 0.00 0.00 62.75 62.46 1ouw n ILE 43 Cb 0.37 -0.04 -0.07 0.00 -1.74 0.00 0.00 39.64 38.16 1ouw n ILE 43 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ouw s ALA 44 N -2.07 -0.70 -0.04 -1.28 0.00 -1.15 -2.39 121.76 114.12 1ouw s ALA 44 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 51.96 51.99 1ouw s ALA 44 Cb 0.01 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.48 1ouw s ALA 44 CO 0.06 -0.43 -0.12 -0.51 0.00 0.00 0.00 175.76 174.75 1ouw s LEU 45 N -2.13 1.81 -0.17 0.00 1.43 -0.25 -1.30 118.68 118.07 1ouw s LEU 45 Ca -0.04 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1ouw s LEU 45 Cb -0.00 -0.74 0.01 0.00 0.03 0.00 0.00 46.19 45.48 1ouw s LEU 45 CO -0.04 0.09 -0.16 -0.89 0.23 0.00 0.00 176.35 175.58 1ouw s THR 46 N 0.21 2.47 -0.11 5.49 2.01 -0.01 -0.97 115.64 124.72 1ouw s THR 46 Ca -0.05 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 1ouw s THR 46 Cb -0.11 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.33 1ouw s THR 46 CO 0.01 0.51 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.05 1ouw s PHE 47 N 1.08 2.99 0.03 4.92 0.08 -0.32 -0.77 117.98 125.99 1ouw s PHE 47 Ca -0.00 -0.15 -0.00 0.00 0.12 0.00 0.00 56.93 56.89 1ouw s PHE 47 Cb -0.14 -1.84 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 1ouw s PHE 47 CO -0.05 0.14 -0.03 -1.54 -0.10 0.00 0.00 175.22 173.63 1ouw s SER 48 N -0.20 0.39 -0.07 1.36 1.04 -0.55 -1.61 113.70 114.07 1ouw s SER 48 Ca 0.03 -0.70 -0.01 0.00 0.48 0.00 0.00 55.95 55.75 1ouw s SER 48 Cb -0.13 0.13 0.03 0.00 0.10 0.00 0.00 66.02 66.15 1ouw s SER 48 CO 0.03 -0.41 -0.01 -0.55 0.98 0.00 0.00 173.24 173.28 1ouw s SER 49 N -2.05 1.43 -0.03 7.02 0.15 -0.30 -1.93 113.70 117.99 1ouw s SER 49 Ca -0.06 -0.09 -0.30 0.00 0.70 0.00 0.00 55.95 56.19 1ouw s SER 49 Cb -0.03 -0.44 -0.03 0.00 -1.71 0.00 0.00 66.02 63.81 1ouw s SER 49 CO -0.04 -0.16 1.08 -0.89 1.20 0.00 0.00 173.24 174.42 1ouw s THR 50 N 1.74 4.54 0.73 6.45 2.01 -1.26 -1.09 115.64 128.77 1ouw s THR 50 Ca 0.02 1.83 -0.06 0.00 0.31 0.00 0.00 61.69 63.78 1ouw s THR 50 Cb -0.13 -4.17 0.09 0.00 0.01 0.00 0.00 72.50 68.30 1ouw s THR 50 CO -0.04 0.07 1.04 -0.54 -0.69 0.00 0.00 174.62 174.46 1ouw s LYS 51 N 1.59 1.90 0.31 4.92 1.02 0.91 -4.75 119.74 125.65 1ouw s LYS 51 Ca 0.53 -0.47 0.03 0.00 0.02 0.00 0.00 55.97 56.09 1ouw s LYS 51 Cb -0.23 -2.17 0.63 0.00 -0.52 0.00 0.00 37.83 35.53 1ouw s LYS 51 CO 0.24 -1.41 1.87 0.00 -0.92 0.00 0.00 175.35 175.13 1ouw h ALA 52 N -0.69 1.61 -0.09 5.17 0.00 -1.97 -2.11 119.26 121.18 1ouw h ALA 52 Ca -0.43 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1ouw h ALA 52 Cb 1.29 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ouw h ALA 52 CO 0.53 0.18 0.00 -0.40 0.00 0.00 0.00 179.25 179.56 1ouw n ASP 53 N -4.56 0.57 0.00 0.00 5.75 -1.26 -4.87 116.55 112.18 1ouw n ASP 53 Ca 0.17 -1.80 0.00 0.00 -0.01 0.00 0.00 54.79 53.15 1ouw n ASP 53 Cb 0.34 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 1ouw n ASP 53 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ouw n GLY 54 N 0.77 1.46 3.90 6.12 0.00 -0.79 -5.05 105.19 111.60 1ouw n GLY 54 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1ouw n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ouw s SER 55 N -3.16 5.07 -0.07 1.61 1.04 -1.26 -4.78 113.70 112.15 1ouw s SER 55 Ca 0.00 0.84 0.03 0.00 0.48 0.00 0.00 55.95 57.30 1ouw s SER 55 Cb 0.00 -1.55 0.00 0.00 0.10 0.00 0.00 66.02 64.58 1ouw s SER 55 CO 0.00 -1.51 -0.17 -0.54 0.98 0.00 0.00 173.24 171.99 1ouw s LYS 56 N -5.35 2.13 0.16 4.02 1.02 -1.26 -0.06 119.74 120.40 1ouw s LYS 56 Ca 0.59 -0.61 -0.25 0.00 0.02 0.00 0.00 55.97 55.72 1ouw s LYS 56 Cb -0.11 -1.72 -0.08 0.00 -0.52 0.00 0.00 37.83 35.40 1ouw s LYS 56 CO 0.49 0.14 0.77 -0.51 -0.92 0.00 0.00 175.35 175.31 1ouw s ASP 57 N 0.38 7.38 -0.08 2.83 1.01 -0.25 -4.93 116.67 123.01 1ouw s ASP 57 Ca -0.13 1.63 -0.21 0.00 0.71 0.00 0.00 52.55 54.56 1ouw s ASP 57 Cb -0.15 -2.49 0.05 0.00 1.01 0.00 0.00 42.92 41.33 1ouw s ASP 57 CO 0.05 0.21 0.49 0.28 0.21 0.00 0.00 175.17 176.41 1ouw s THR 58 N -1.15 0.02 0.04 -1.27 -1.32 -1.26 -1.14 115.64 109.56 1ouw s THR 58 Ca 0.35 -0.17 0.01 0.00 -1.21 0.00 0.00 61.69 60.68 1ouw s THR 58 Cb -0.23 -0.77 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 1ouw s THR 58 CO 0.26 -0.09 -0.06 -0.51 -2.21 0.00 0.00 174.62 172.00 1ouw s ILE 59 N -0.76 0.42 -0.06 5.08 2.07 -0.63 -5.01 121.20 122.30 1ouw s ILE 59 Ca -0.08 -1.08 0.03 0.00 -1.41 0.00 0.00 60.65 58.11 1ouw s ILE 59 Cb -0.03 -0.57 0.01 0.00 0.13 0.00 0.00 42.46 42.00 1ouw s ILE 59 CO 0.05 -0.45 -0.15 -0.89 -1.91 0.00 0.00 174.94 171.59 1ouw s THR 60 N -1.54 1.33 -0.00 4.00 2.01 -1.26 -1.17 115.64 119.01 1ouw s THR 60 Ca -0.11 -0.62 0.05 0.00 0.31 0.00 0.00 61.69 61.33 1ouw s THR 60 Cb -0.09 -1.17 -0.01 0.00 0.01 0.00 0.00 72.50 71.23 1ouw s THR 60 CO -0.00 0.39 -0.16 0.68 -0.69 0.00 0.00 174.62 174.84 1ouw s VAL 61 N 0.39 1.29 0.00 3.82 -7.23 -0.14 -5.00 120.40 113.53 1ouw s VAL 61 Ca -0.11 -0.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 1ouw s VAL 61 Cb -0.14 -1.09 0.00 0.00 0.56 0.00 0.00 36.38 35.71 1ouw s VAL 61 CO 0.04 0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.74 1ouw n GLY 62 N 2.52 -0.94 0.00 2.32 0.00 -1.25 -1.09 105.19 106.76 1ouw n GLY 62 Ca -0.15 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1ouw n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ouw n GLY 63 N -0.98 -0.61 0.29 -0.02 0.00 -0.05 -4.81 105.19 99.00 1ouw n GLY 63 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1ouw n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ouw n GLY 64 N -0.65 0.58 0.00 -0.02 0.00 -1.26 -4.15 105.19 99.69 1ouw n GLY 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ouw n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ouw n GLY 65 N -2.01 2.59 0.31 -0.02 0.00 -1.26 -4.99 105.19 99.81 1ouw n GLY 65 Ca 0.00 -2.05 0.18 0.00 0.00 0.00 0.00 46.02 44.16 1ouw n GLY 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ouw h PRO 66 N 0.00 0.00 -6.26 1.61 0.13 -1.97 -3.43 132.00 122.08 1ouw h PRO 66 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 1ouw h PRO 66 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1ouw h PRO 66 CO 0.00 0.02 0.25 0.34 -0.23 0.00 0.00 178.00 178.38 1ouw s ASP 67 N -5.67 7.22 0.25 1.44 2.15 -1.26 -5.07 116.67 115.72 1ouw s ASP 67 Ca -0.04 1.47 -0.04 0.00 0.43 0.00 0.00 52.55 54.37 1ouw s ASP 67 Cb 0.13 -2.50 -0.05 0.00 -0.30 0.00 0.00 42.92 40.20 1ouw s ASP 67 CO 0.49 -0.19 0.48 -0.94 -0.17 0.00 0.00 175.17 174.85 1ouw s SER 68 N 0.85 6.43 -0.14 -0.34 1.04 -1.26 -4.73 113.70 115.56 1ouw s SER 68 Ca 0.46 0.60 -0.29 0.00 0.48 0.00 0.00 55.95 57.19 1ouw s SER 68 Cb -0.20 -2.09 -0.02 0.00 0.10 0.00 0.00 66.02 63.81 1ouw s SER 68 CO 0.24 -0.12 1.24 -0.63 0.98 0.00 0.00 173.24 174.95 1ouw s ILE 69 N -1.97 4.29 -0.71 -1.02 1.01 -1.26 -3.94 121.20 117.60 1ouw s ILE 69 Ca 0.42 1.57 0.07 0.00 0.00 0.00 0.00 60.65 62.71 1ouw s ILE 69 Cb -0.11 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.37 1ouw s ILE 69 CO 0.29 -0.10 0.59 0.35 0.00 0.00 0.00 174.94 176.07 1ouw n THR 70 N 5.15 0.00 -3.59 2.92 -2.24 0.16 -4.99 114.28 111.69 1ouw n THR 70 Ca 0.13 -0.46 -0.04 0.00 -2.27 0.00 0.00 64.05 61.41 1ouw n THR 70 Cb 0.45 1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 69.77 1ouw n THR 70 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ouw s GLY 71 N -0.89 -0.30 0.04 3.38 0.00 -1.18 -4.91 107.32 103.46 1ouw s GLY 71 Ca 0.06 1.55 -0.01 0.00 0.00 0.00 0.00 44.72 46.32 1ouw s GLY 71 CO 0.14 0.51 -0.01 -0.51 0.00 0.00 0.00 173.10 173.23 1ouw s THR 72 N -2.45 0.17 0.08 0.90 -4.23 -1.26 -0.50 115.64 108.35 1ouw s THR 72 Ca 0.09 -1.40 0.04 0.00 -1.18 0.00 0.00 61.69 59.24 1ouw s THR 72 Cb -0.01 -1.01 -0.03 0.00 1.34 0.00 0.00 72.50 72.79 1ouw s THR 72 CO -0.05 -0.78 -0.12 -1.61 -0.54 0.00 0.00 174.62 171.53 1ouw s GLU 73 N -2.93 0.81 -0.02 3.99 2.02 -0.56 -4.99 118.70 117.02 1ouw s GLU 73 Ca -0.02 -1.02 0.07 0.00 0.02 0.00 0.00 54.97 54.01 1ouw s GLU 73 Cb 0.01 -0.66 -0.02 0.00 0.10 0.00 0.00 34.13 33.56 1ouw s GLU 73 CO -0.06 0.13 -0.22 -1.64 0.02 0.00 0.00 175.26 173.48 1ouw s MET 74 N -2.16 1.91 -0.22 1.61 -1.94 -1.26 -0.49 119.30 116.75 1ouw s MET 74 Ca 0.00 -0.80 -0.05 0.00 -1.71 0.00 0.00 55.69 53.14 1ouw s MET 74 Cb -0.07 -1.79 -0.02 0.00 2.01 0.00 0.00 34.83 34.96 1ouw s MET 74 CO 0.01 0.45 -0.01 0.08 -0.01 0.00 0.00 175.02 175.54 1ouw s VAL 75 N -0.43 3.74 -0.18 -6.03 1.01 0.61 -4.98 120.40 114.13 1ouw s VAL 75 Ca 0.06 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1ouw s VAL 75 Cb -0.10 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.58 1ouw s VAL 75 CO -0.00 0.41 -0.10 0.20 0.00 0.00 0.00 175.10 175.61 1ouw s ASN 76 N 1.30 3.94 -0.24 3.32 0.01 -1.26 -1.30 114.94 120.72 1ouw s ASN 76 Ca 0.04 -0.43 -0.10 0.00 -0.71 0.00 0.00 52.86 51.66 1ouw s ASN 76 Cb -0.15 -1.64 -0.05 0.00 0.41 0.00 0.00 41.25 39.83 1ouw s ASN 76 CO 0.00 0.04 0.14 -0.63 -1.51 0.00 0.00 177.10 175.14 1ouw s ILE 77 N 1.11 5.21 0.79 0.60 1.01 -0.13 -5.02 121.20 124.77 1ouw s ILE 77 Ca 0.01 0.13 -0.09 0.00 0.00 0.00 0.00 60.65 60.69 1ouw s ILE 77 Cb -0.14 -3.43 0.17 0.00 0.01 0.00 0.00 42.46 39.07 1ouw s ILE 77 CO -0.03 0.35 1.08 0.61 0.00 0.00 0.00 174.94 176.96 1ouw n GLY 78 N 4.28 -0.62 0.32 6.18 0.00 -1.26 -4.83 105.19 109.25 1ouw n GLY 78 Ca -0.15 -1.83 -0.08 0.00 0.00 0.00 0.00 46.02 43.96 1ouw n GLY 78 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ouw h THR 79 N -1.25 0.27 -0.60 2.61 2.02 -2.01 -1.30 112.91 112.65 1ouw h THR 79 Ca -0.35 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1ouw h THR 79 Cb 1.08 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1ouw h THR 79 CO 0.29 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.65 1ouw n ASP 80 N -5.41 3.82 -4.79 4.18 8.00 -1.26 -4.94 116.55 116.14 1ouw n ASP 80 Ca 0.00 -2.20 -0.34 0.00 0.71 0.00 0.00 54.79 52.96 1ouw n ASP 80 Cb 0.33 -0.48 -0.07 0.00 -0.02 0.00 0.00 41.12 40.87 1ouw n ASP 80 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1ouw s GLU 81 N -1.49 3.16 -0.04 -1.24 2.12 -0.49 -4.95 118.70 115.76 1ouw s GLU 81 Ca 0.44 -0.39 -0.17 0.00 0.36 0.00 0.00 54.97 55.21 1ouw s GLU 81 Cb 0.25 -2.93 0.03 0.00 0.26 0.00 0.00 34.13 31.75 1ouw s GLU 81 CO 0.25 0.69 0.38 1.52 -0.54 0.00 0.00 175.26 177.56 1ouw s TYR 82 N -1.11 -0.29 0.28 5.30 1.13 -1.26 -4.61 117.35 116.78 1ouw s TYR 82 Ca 0.20 0.52 -0.30 0.00 -1.41 0.00 0.00 57.07 56.08 1ouw s TYR 82 Cb -0.12 0.15 -0.11 0.00 -1.10 0.00 0.00 41.96 40.78 1ouw s TYR 82 CO 0.10 -0.40 1.58 -0.51 -2.51 0.00 0.00 175.55 173.82 1ouw s LEU 83 N -1.07 4.35 0.00 -3.49 1.43 -1.26 -2.02 118.68 116.62 1ouw s LEU 83 Ca -0.11 2.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.90 1ouw s LEU 83 Cb -0.04 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.55 1ouw s LEU 83 CO 0.05 -0.89 0.00 0.35 0.23 0.00 0.00 176.35 176.08 1ouw n THR 84 N 2.30 0.00 -3.52 5.49 -2.24 0.24 -0.94 114.28 115.61 1ouw n THR 84 Ca 0.08 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.75 1ouw n THR 84 Cb 0.38 -0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 68.14 1ouw n THR 84 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ouw s GLY 85 N -2.24 -0.47 0.14 3.38 0.00 -0.98 -4.54 107.32 102.60 1ouw s GLY 85 Ca 0.00 0.28 0.05 0.00 0.00 0.00 0.00 44.72 45.04 1ouw s GLY 85 CO 0.00 0.04 -0.11 -0.26 0.00 0.00 0.00 173.10 172.77 1ouw s ILE 86 N -3.79 1.20 0.19 0.90 -4.36 -1.26 -0.77 121.20 113.32 1ouw s ILE 86 Ca 0.03 -1.96 -0.13 0.00 -0.26 0.00 0.00 60.65 58.33 1ouw s ILE 86 Cb -0.01 -1.74 0.01 0.00 1.25 0.00 0.00 42.46 41.97 1ouw s ILE 86 CO -0.10 -0.66 0.43 -0.94 0.24 0.00 0.00 174.94 173.91 1ouw s SER 87 N -2.96 -0.12 0.00 4.36 1.04 -0.91 -1.03 113.70 114.08 1ouw s SER 87 Ca 0.14 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1ouw s SER 87 Cb 0.00 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1ouw s SER 87 CO 0.01 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.83 1ouw n GLY 88 N -0.30 -0.82 3.02 7.32 0.00 -0.60 -0.54 105.19 113.26 1ouw n GLY 88 Ca -0.07 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 1ouw n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ouw s THR 89 N -3.00 0.13 0.11 2.61 -4.23 -0.54 -1.03 115.64 109.69 1ouw s THR 89 Ca 0.00 -1.09 0.09 0.00 -1.18 0.00 0.00 61.69 59.51 1ouw s THR 89 Cb 0.00 -0.56 -0.04 0.00 1.34 0.00 0.00 72.50 73.24 1ouw s THR 89 CO 0.00 -0.60 -0.18 -0.36 -0.54 0.00 0.00 174.62 172.94 1ouw s PHE 90 N -2.02 2.53 -0.08 3.99 0.40 -0.31 -0.50 117.98 121.99 1ouw s PHE 90 Ca -0.11 -0.27 -0.31 0.00 -0.60 0.00 0.00 56.93 55.65 1ouw s PHE 90 Cb -0.06 -1.35 0.11 0.00 0.51 0.00 0.00 43.02 42.23 1ouw s PHE 90 CO -0.03 0.37 1.36 0.20 0.70 0.00 0.00 175.22 177.83 1ouw s GLY 91 N -2.08 -0.24 0.16 4.36 0.00 -0.25 -0.43 107.32 108.83 1ouw s GLY 91 Ca 0.18 0.26 -0.30 0.00 0.00 0.00 0.00 44.72 44.86 1ouw s GLY 91 CO 0.10 5.56 1.15 -0.42 0.00 0.00 0.00 173.10 179.48 1ouw s ILE 92 N -2.02 3.79 -0.11 0.90 -1.09 -1.26 -0.86 121.20 120.55 1ouw s ILE 92 Ca 0.29 1.49 -0.04 0.00 -2.23 0.00 0.00 60.65 60.16 1ouw s ILE 92 Cb 0.01 -3.95 0.06 0.00 -1.58 0.00 0.00 42.46 37.00 1ouw s ILE 92 CO -0.03 0.23 0.22 -0.47 -1.23 0.00 0.00 174.94 173.67 1ouw s TYR 93 N 0.00 -0.33 -1.48 3.97 5.04 -0.21 -4.90 117.35 119.44 1ouw s TYR 93 Ca 0.52 0.82 -0.00 0.00 -2.44 0.00 0.00 57.07 55.97 1ouw s TYR 93 Cb -0.30 -0.09 0.00 0.00 0.35 0.00 0.00 41.96 41.91 1ouw s TYR 93 CO 0.35 -0.31 0.22 1.28 -1.34 0.00 0.00 175.55 175.75 1ouw n LEU 94 N 5.15 -1.62 -0.09 6.97 4.77 -1.26 -2.09 117.00 128.83 1ouw n LEU 94 Ca -0.09 -1.14 -0.01 0.00 -0.03 0.00 0.00 56.01 54.74 1ouw n LEU 94 Cb 0.50 -1.92 -0.00 0.00 -2.33 0.00 0.00 43.42 39.67 1ouw n LEU 94 CO 0.05 0.45 -0.01 0.47 -1.33 0.00 0.00 177.39 177.02 1ouw n ASP 95 N -2.94 -3.63 -4.17 -1.43 8.00 -1.26 -5.01 116.55 106.10 1ouw n ASP 95 Ca -0.32 0.03 -0.23 0.00 0.71 0.00 0.00 54.79 54.98 1ouw n ASP 95 Cb 0.69 -1.23 -0.14 0.00 -0.02 0.00 0.00 41.12 40.42 1ouw n ASP 95 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1ouw s ASN 96 N -2.23 1.95 -0.56 -2.24 0.01 -0.89 -5.10 114.94 105.88 1ouw s ASN 96 Ca 0.00 -0.42 -0.23 0.00 -0.71 0.00 0.00 52.86 51.50 1ouw s ASN 96 Cb 0.00 -0.17 0.05 0.00 0.41 0.00 0.00 41.25 41.54 1ouw s ASN 96 CO 0.00 0.12 0.89 0.21 -1.51 0.00 0.00 177.10 176.82 1ouw s ASN 97 N -0.89 6.30 0.29 -1.22 3.84 -1.26 -1.05 114.94 120.95 1ouw s ASN 97 Ca 0.05 -0.54 0.02 0.00 0.21 0.00 0.00 52.86 52.60 1ouw s ASN 97 Cb -0.07 -2.41 -0.03 0.00 -0.55 0.00 0.00 41.25 38.19 1ouw s ASN 97 CO 0.01 -1.20 0.28 0.68 -2.79 0.00 0.00 177.10 174.07 1ouw s VAL 98 N 3.75 0.00 0.14 -5.21 -7.23 -0.04 -4.75 120.40 107.05 1ouw s VAL 98 Ca 0.27 -1.90 -0.31 0.00 -1.81 0.00 0.00 61.98 58.23 1ouw s VAL 98 Cb -0.14 -2.51 -0.09 0.00 0.56 0.00 0.00 36.38 34.19 1ouw s VAL 98 CO 0.17 0.00 1.56 -0.22 -0.31 0.00 0.00 175.10 176.30 1ouw s LEU 99 N -3.27 4.37 -0.12 1.32 2.96 0.41 -1.09 118.68 123.26 1ouw s LEU 99 Ca 0.37 2.55 0.09 0.00 -0.22 0.00 0.00 54.13 56.92 1ouw s LEU 99 Cb 0.03 -3.59 -0.14 0.00 0.50 0.00 0.00 46.19 43.00 1ouw s LEU 99 CO 0.21 -0.81 0.01 0.54 -1.32 0.00 0.00 176.35 174.98 1ouw n ARG 100 N 4.27 1.83 -3.80 1.98 5.12 0.34 -4.55 116.66 121.85 1ouw n ARG 100 Ca 0.14 0.01 -0.11 0.00 -1.93 0.00 0.00 57.85 55.96 1ouw n ARG 100 Cb 0.39 -1.30 -0.08 0.00 -1.16 0.00 0.00 32.46 30.32 1ouw n ARG 100 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1ouw s SER 101 N -4.59 -0.06 -0.10 0.55 1.04 -1.15 -0.67 113.70 108.73 1ouw s SER 101 Ca -0.08 -0.23 -0.19 0.00 0.48 0.00 0.00 55.95 55.93 1ouw s SER 101 Cb 0.04 0.32 0.04 0.00 0.10 0.00 0.00 66.02 66.52 1ouw s SER 101 CO 0.46 -0.56 0.46 -0.51 0.98 0.00 0.00 173.24 174.07 1ouw s ILE 102 N -2.37 0.02 -0.04 -1.02 2.07 -0.38 -1.47 121.20 118.02 1ouw s ILE 102 Ca -0.06 -0.17 0.05 0.00 -1.41 0.00 0.00 60.65 59.06 1ouw s ILE 102 Cb -0.02 -0.72 -0.01 0.00 0.13 0.00 0.00 42.46 41.85 1ouw s ILE 102 CO -0.02 -0.09 -0.19 -0.89 -1.91 0.00 0.00 174.94 171.84 1ouw s THR 103 N -0.59 1.54 -0.33 4.00 2.01 0.30 -0.87 115.64 121.70 1ouw s THR 103 Ca -0.07 -0.79 -0.05 0.00 0.31 0.00 0.00 61.69 61.09 1ouw s THR 103 Cb -0.03 -1.31 0.04 0.00 0.01 0.00 0.00 72.50 71.21 1ouw s THR 103 CO 0.04 0.44 0.07 -0.36 -0.69 0.00 0.00 174.62 174.12 1ouw s PHE 104 N -0.11 3.25 -0.08 4.92 0.08 -0.02 -2.13 117.98 123.88 1ouw s PHE 104 Ca -0.01 -1.52 -0.12 0.00 0.12 0.00 0.00 56.93 55.40 1ouw s PHE 104 Cb -0.11 -2.23 -0.05 0.00 -0.57 0.00 0.00 43.02 40.07 1ouw s PHE 104 CO 0.02 -0.74 0.30 0.99 -0.10 0.00 0.00 175.22 175.68 1ouw s THR 105 N 1.37 5.25 0.48 0.64 2.01 0.05 -0.69 115.64 124.75 1ouw s THR 105 Ca -0.02 0.57 0.03 0.00 0.31 0.00 0.00 61.69 62.58 1ouw s THR 105 Cb -0.19 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 1ouw s THR 105 CO 0.02 0.53 0.06 0.42 -0.69 0.00 0.00 174.62 174.96 1ouw s THR 106 N -0.59 1.49 0.52 -0.82 -4.23 0.04 -0.59 115.64 111.45 1ouw s THR 106 Ca 0.19 -1.92 0.23 0.00 -1.18 0.00 0.00 61.69 59.00 1ouw s THR 106 Cb -0.14 -2.42 0.36 0.00 1.34 0.00 0.00 72.50 71.65 1ouw s THR 106 CO 0.08 0.00 2.03 -0.55 -0.54 0.00 0.00 174.62 175.64 1ouw h ASN 107 N 1.39 0.02 0.08 3.99 -1.07 -1.74 -3.14 115.58 115.11 1ouw h ASN 107 Ca -0.43 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 55.81 1ouw h ASN 107 Cb 1.29 -0.00 0.01 0.00 -2.07 0.00 0.00 38.32 37.54 1ouw h ASN 107 CO 0.74 0.01 -0.61 0.25 0.07 0.00 0.00 177.43 177.89 1ouw h LEU 108 N 0.03 0.25 -7.64 6.14 5.85 -1.92 -3.50 115.31 114.51 1ouw h LEU 108 Ca 0.20 -0.93 0.20 0.00 0.84 0.00 0.00 57.88 58.19 1ouw h LEU 108 Cb 0.76 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.63 1ouw h LEU 108 CO -0.01 1.28 0.54 -1.59 -0.34 0.00 0.00 178.44 178.32 1ouw s LYS 109 N -2.35 1.11 -0.05 1.25 -2.85 -1.19 -5.13 119.74 110.53 1ouw s LYS 109 Ca -0.17 -0.63 -0.23 0.00 -1.00 0.00 0.00 55.97 53.94 1ouw s LYS 109 Cb 0.00 0.37 -0.04 0.00 -2.06 0.00 0.00 37.83 36.10 1ouw s LYS 109 CO 0.75 -0.51 0.70 0.00 0.10 0.00 0.00 175.35 176.39 1ouw s ALA 110 N -3.06 3.35 -0.35 0.59 0.00 -1.26 -0.78 121.76 120.24 1ouw s ALA 110 Ca 0.13 0.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.13 1ouw s ALA 110 Cb -0.01 -2.94 0.01 0.00 0.00 0.00 0.00 23.12 20.18 1ouw s ALA 110 CO 0.02 -0.07 0.19 -1.01 0.00 0.00 0.00 175.76 174.89 1ouw s HIS 111 N 0.65 3.22 -3.69 0.00 0.09 0.13 -4.97 115.29 110.71 1ouw s HIS 111 Ca 0.37 -0.74 0.00 0.00 -0.00 0.00 0.00 55.06 54.69 1ouw s HIS 111 Cb -0.18 -2.42 0.00 0.00 -0.00 0.00 0.00 32.58 29.98 1ouw s HIS 111 CO 0.18 -0.55 0.00 0.41 -0.00 0.00 0.00 174.74 174.79 1ouw n GLY 112 N 5.01 0.85 3.80 -2.22 0.00 -1.26 -0.84 105.19 110.52 1ouw n GLY 112 Ca -0.13 -1.99 -0.35 0.00 0.00 0.00 0.00 46.02 43.55 1ouw n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ouw s PRO 113 N -1.48 4.03 -0.22 1.61 0.04 -1.26 -5.05 135.00 132.66 1ouw s PRO 113 Ca 0.00 1.35 -0.05 0.00 0.04 0.00 0.00 61.00 62.34 1ouw s PRO 113 Cb 0.00 -2.27 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 1ouw s PRO 113 CO 0.00 -0.23 -0.00 0.71 0.04 0.00 0.00 177.00 177.51 1ouw s TYR 114 N -1.91 3.01 0.00 0.56 1.51 -0.05 -4.96 117.35 115.51 1ouw s TYR 114 Ca 0.63 -0.68 0.00 0.00 -1.01 0.00 0.00 57.07 56.01 1ouw s TYR 114 Cb -0.17 -2.14 0.00 0.00 -0.11 0.00 0.00 41.96 39.55 1ouw s TYR 114 CO 0.21 -0.42 0.00 0.41 -1.11 0.00 0.00 175.55 174.63 1ouw n GLY 115 N 4.71 -0.06 3.52 0.71 0.00 -1.26 -1.25 105.19 111.56 1ouw n GLY 115 Ca -0.17 -2.03 -0.36 0.00 0.00 0.00 0.00 46.02 43.46 1ouw n GLY 115 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ouw s GLN 116 N 0.00 3.79 -1.40 1.61 -1.52 0.16 -4.92 119.66 117.38 1ouw s GLN 116 Ca 0.00 -0.42 -0.13 0.00 -1.95 0.00 0.00 55.36 52.87 1ouw s GLN 116 Cb 0.00 -3.34 0.08 0.00 -0.22 0.00 0.00 33.01 29.53 1ouw s GLN 116 CO 0.00 -0.06 2.10 1.63 -0.25 0.00 0.00 175.29 178.72 1ouw n LYS 117 N 4.55 3.10 -3.98 2.91 4.76 -1.26 -3.81 118.16 124.43 1ouw n LYS 117 Ca -0.16 -2.91 -0.09 0.00 -2.87 0.00 0.00 58.31 52.28 1ouw n LYS 117 Cb 0.52 -3.18 -0.10 0.00 -1.84 0.00 0.00 35.03 30.42 1ouw n LYS 117 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1ouw s VAL 118 N 2.35 0.14 0.00 -0.18 -7.23 -1.26 -5.13 120.40 109.08 1ouw s VAL 118 Ca 0.45 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 59.48 1ouw s VAL 118 Cb 0.12 -0.70 0.00 0.00 0.56 0.00 0.00 36.38 36.36 1ouw s VAL 118 CO -0.06 -0.63 0.00 0.61 -0.31 0.00 0.00 175.10 174.72 1ouw n GLY 119 N 1.06 -0.60 3.62 2.32 0.00 -1.26 -4.49 105.19 105.84 1ouw n GLY 119 Ca -0.20 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.42 1ouw n GLY 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ouw s THR 120 N 0.00 5.27 0.51 2.61 2.01 0.43 -4.84 115.64 121.63 1ouw s THR 120 Ca 0.00 0.33 -0.17 0.00 0.31 0.00 0.00 61.69 62.16 1ouw s THR 120 Cb 0.00 -3.59 -0.08 0.00 0.01 0.00 0.00 72.50 68.84 1ouw s THR 120 CO 0.00 0.25 0.99 -2.16 -0.69 0.00 0.00 174.62 173.00 1ouw s PRO 121 N 1.64 3.95 0.06 4.92 0.04 -1.26 -1.17 135.00 143.18 1ouw s PRO 121 Ca 0.10 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1ouw s PRO 121 Cb -0.15 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1ouw s PRO 121 CO 0.09 -0.27 -0.05 -0.59 0.04 0.00 0.00 177.00 176.22 1ouw s PHE 122 N -2.54 0.64 -0.18 0.56 -0.71 -0.20 -4.95 117.98 110.61 1ouw s PHE 122 Ca 0.60 -0.89 -0.17 0.00 -1.04 0.00 0.00 56.93 55.44 1ouw s PHE 122 Cb -0.10 -0.41 0.05 0.00 -1.21 0.00 0.00 43.02 41.34 1ouw s PHE 122 CO 0.29 -0.24 0.48 0.45 -1.34 0.00 0.00 175.22 174.86 1ouw s SER 123 N -2.64 -0.49 0.68 1.98 0.15 -1.26 -1.56 113.70 110.55 1ouw s SER 123 Ca 0.04 0.95 -0.13 0.00 0.70 0.00 0.00 55.95 57.51 1ouw s SER 123 Cb 0.03 0.96 0.01 0.00 -1.71 0.00 0.00 66.02 65.31 1ouw s SER 123 CO -0.06 -0.17 1.08 -0.94 1.20 0.00 0.00 173.24 174.35 1ouw s SER 124 N 0.23 5.17 0.18 5.45 1.04 -0.20 -5.00 113.70 120.57 1ouw s SER 124 Ca -0.00 1.82 -0.30 0.00 0.48 0.00 0.00 55.95 57.95 1ouw s SER 124 Cb -0.03 -2.53 -0.09 0.00 0.10 0.00 0.00 66.02 63.47 1ouw s SER 124 CO 0.01 -1.59 1.35 0.00 0.98 0.00 0.00 173.24 173.99 1ouw s ALA 125 N -2.67 3.56 -1.33 5.32 0.00 -1.26 -4.86 121.76 120.51 1ouw s ALA 125 Ca 0.63 1.14 -0.07 0.00 0.00 0.00 0.00 51.96 53.66 1ouw s ALA 125 Cb -0.17 -3.51 0.12 0.00 0.00 0.00 0.00 23.12 19.56 1ouw s ALA 125 CO 0.47 -0.58 2.28 0.09 0.00 0.00 0.00 175.76 178.02 1ouw n ASN 126 N 2.93 7.26 -4.72 0.00 4.13 -1.26 -4.93 115.26 118.67 1ouw n ASN 126 Ca 0.08 -3.10 -0.41 0.00 1.68 0.00 0.00 54.58 52.83 1ouw n ASN 126 Cb 0.42 -1.41 -0.04 0.00 -1.54 0.00 0.00 39.78 37.22 1ouw n ASN 126 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1ouw s VAL 127 N -0.50 4.77 0.02 2.41 0.11 -1.26 -4.95 120.40 121.00 1ouw s VAL 127 Ca 0.51 1.94 -0.35 0.00 -2.93 0.00 0.00 61.98 61.15 1ouw s VAL 127 Cb 0.16 -4.27 -0.14 0.00 -1.53 0.00 0.00 36.38 30.61 1ouw s VAL 127 CO -0.07 0.24 1.66 1.33 -3.33 0.00 0.00 175.10 174.94 1ouw n VAL 128 N 3.44 0.23 -0.80 2.04 0.24 -1.26 -1.42 118.33 120.80 1ouw n VAL 128 Ca 0.03 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1ouw n VAL 128 Cb 0.50 -1.51 0.00 0.00 -1.47 0.00 0.00 33.84 31.36 1ouw n VAL 128 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ouw n GLY 129 N 3.70 0.77 3.76 7.63 0.00 -1.26 -4.92 105.19 114.88 1ouw n GLY 129 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1ouw n GLY 129 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ouw s ASN 130 N -2.57 7.06 -0.06 1.61 2.47 -0.51 0.70 114.94 123.63 1ouw s ASN 130 Ca 0.00 2.27 0.02 0.00 0.42 0.00 0.00 52.86 55.57 1ouw s ASN 130 Cb 0.00 -2.62 0.02 0.00 -1.45 0.00 0.00 41.25 37.19 1ouw s ASN 130 CO 0.00 -0.29 -0.11 -0.70 -3.72 0.00 0.00 177.10 172.28 1ouw s GLU 131 N -1.75 1.56 -0.08 0.43 2.12 -0.29 -4.66 118.70 116.04 1ouw s GLU 131 Ca 0.48 -0.36 -0.30 0.00 0.36 0.00 0.00 54.97 55.16 1ouw s GLU 131 Cb -0.31 -1.33 -0.02 0.00 0.26 0.00 0.00 34.13 32.73 1ouw s GLU 131 CO 0.40 -0.01 1.11 0.42 -0.54 0.00 0.00 175.26 176.64 1ouw s ILE 132 N 0.77 4.50 -0.54 -3.70 1.01 -0.11 -1.48 121.20 121.64 1ouw s ILE 132 Ca -0.13 1.80 0.04 0.00 0.00 0.00 0.00 60.65 62.37 1ouw s ILE 132 Cb -0.15 -4.16 0.05 0.00 0.01 0.00 0.00 42.46 38.20 1ouw s ILE 132 CO 0.02 -0.01 0.69 1.33 0.00 0.00 0.00 174.94 176.98 1ouw n VAL 133 N 4.62 0.11 -3.79 2.92 0.24 0.04 -4.52 118.33 117.95 1ouw n VAL 133 Ca 0.10 -0.55 0.04 0.00 -2.04 0.00 0.00 64.34 61.88 1ouw n VAL 133 Cb 0.47 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 1ouw n VAL 133 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ouw s GLY 134 N -0.44 -0.34 0.10 7.63 0.00 -1.20 -4.21 107.32 108.84 1ouw s GLY 134 Ca 0.06 0.52 0.03 0.00 0.00 0.00 0.00 44.72 45.33 1ouw s GLY 134 CO 0.06 3.25 -0.09 -1.36 0.00 0.00 0.00 173.10 174.96 1ouw s PHE 135 N -2.06 0.98 0.20 1.90 0.08 -0.19 -1.20 117.98 117.68 1ouw s PHE 135 Ca 0.23 -0.73 -0.12 0.00 0.12 0.00 0.00 56.93 56.42 1ouw s PHE 135 Cb 0.04 -0.55 0.00 0.00 -0.57 0.00 0.00 43.02 41.94 1ouw s PHE 135 CO -0.04 -0.05 0.40 -0.48 -0.10 0.00 0.00 175.22 174.94 1ouw s LEU 136 N -2.62 0.56 0.00 -0.37 2.34 -0.91 -0.56 118.68 117.12 1ouw s LEU 136 Ca 0.07 -0.80 0.00 0.00 0.06 0.00 0.00 54.13 53.46 1ouw s LEU 136 Cb -0.00 1.58 0.00 0.00 -0.56 0.00 0.00 46.19 47.20 1ouw s LEU 136 CO -0.01 -1.00 0.00 0.61 -1.06 0.00 0.00 176.35 174.88 1ouw n GLY 137 N -0.29 -0.55 3.11 -3.48 0.00 -0.34 -0.00 105.19 103.64 1ouw n GLY 137 Ca -0.06 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 1ouw n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ouw s ARG 138 N -1.20 0.67 0.12 1.61 0.52 -0.72 -1.03 118.95 118.92 1ouw s ARG 138 Ca 0.00 -0.95 -0.22 0.00 -0.52 0.00 0.00 55.73 54.05 1ouw s ARG 138 Cb 0.00 -0.38 0.06 0.00 0.52 0.00 0.00 34.95 35.14 1ouw s ARG 138 CO 0.00 0.06 0.55 -1.54 0.02 0.00 0.00 175.30 174.39 1ouw s SER 139 N -1.99 -0.48 0.00 0.23 1.04 0.14 -1.08 113.70 111.57 1ouw s SER 139 Ca -0.03 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1ouw s SER 139 Cb -0.06 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1ouw s SER 139 CO -0.00 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.95 1ouw n GLY 140 N -0.12 3.44 0.24 7.32 0.00 -1.26 -0.66 105.19 114.15 1ouw n GLY 140 Ca -0.17 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.68 1ouw n GLY 140 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ouw h TYR 141 N 0.00 0.00 -3.17 1.61 0.05 -1.92 -3.27 116.97 110.26 1ouw h TYR 141 Ca 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.68 1ouw h TYR 141 Cb 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 1ouw h TYR 141 CO 0.00 0.20 -0.09 0.66 -1.05 0.00 0.00 178.16 177.88 1ouw n TYR 142 N -3.73 -0.00 -3.46 4.88 4.01 -1.26 -0.87 117.16 116.73 1ouw n TYR 142 Ca -0.01 -0.50 -0.42 0.00 -0.16 0.00 0.00 57.90 56.80 1ouw n TYR 142 Cb 0.31 0.01 -0.10 0.00 -0.31 0.00 0.00 39.34 39.25 1ouw n TYR 142 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1ouw s VAL 143 N -1.90 5.25 -0.10 -0.72 1.01 -1.26 -4.23 120.40 118.44 1ouw s VAL 143 Ca 0.04 -0.51 0.15 0.00 0.00 0.00 0.00 61.98 61.67 1ouw s VAL 143 Cb 0.00 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.39 1ouw s VAL 143 CO 0.03 -0.25 1.01 0.44 0.00 0.00 0.00 175.10 176.33 1ouw h ASP 144 N 8.60 0.00 -4.99 3.32 5.19 -1.40 0.12 116.42 127.26 1ouw h ASP 144 Ca -0.28 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.08 1ouw h ASP 144 Cb 1.13 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.45 1ouw h ASP 144 CO 0.71 0.63 0.20 0.00 -3.12 0.00 0.00 179.24 177.66 1ouw s ALA 145 N -2.89 -1.76 -0.11 3.45 0.00 -0.87 -1.34 121.76 118.25 1ouw s ALA 145 Ca -0.01 1.25 -0.09 0.00 0.00 0.00 0.00 51.96 53.11 1ouw s ALA 145 Cb 0.08 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.30 1ouw s ALA 145 CO 0.80 -0.40 0.28 -1.50 0.00 0.00 0.00 175.76 174.93 1ouw s ILE 146 N -1.42 -0.00 0.15 0.00 2.07 -0.07 -1.76 121.20 120.17 1ouw s ILE 146 Ca -0.10 0.01 0.02 0.00 -1.41 0.00 0.00 60.65 59.18 1ouw s ILE 146 Cb -0.00 -0.40 -0.01 0.00 0.13 0.00 0.00 42.46 42.18 1ouw s ILE 146 CO 0.08 0.01 0.14 0.61 -1.91 0.00 0.00 174.94 173.87 1ouw n GLY 147 N 3.07 3.35 3.24 1.50 0.00 0.10 -0.34 105.19 116.11 1ouw n GLY 147 Ca -0.14 -1.70 -0.19 0.00 0.00 0.00 0.00 46.02 43.99 1ouw n GLY 147 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ouw s THR 148 N -2.59 1.39 -0.07 2.61 -4.23 -0.49 -2.15 115.64 110.12 1ouw s THR 148 Ca 0.16 -1.65 -0.08 0.00 -1.18 0.00 0.00 61.69 58.94 1ouw s THR 148 Cb 0.01 -1.49 -0.04 0.00 1.34 0.00 0.00 72.50 72.31 1ouw s THR 148 CO 0.11 -0.33 0.22 -0.31 -0.54 0.00 0.00 174.62 173.77 1ouw s TYR 149 N -1.87 3.62 0.05 3.99 2.02 -0.34 -1.05 117.35 123.78 1ouw s TYR 149 Ca 0.07 0.63 0.01 0.00 -0.37 0.00 0.00 57.07 57.42 1ouw s TYR 149 Cb -0.06 -2.02 -0.03 0.00 -0.40 0.00 0.00 41.96 39.45 1ouw s TYR 149 CO 0.03 0.70 -0.06 -0.80 -1.57 0.00 0.00 175.55 173.85 1ouw s ASN 150 N -1.18 0.69 0.03 2.29 0.01 0.22 -0.78 114.94 116.22 1ouw s ASN 150 Ca 0.19 -0.70 -0.13 0.00 -0.71 0.00 0.00 52.86 51.51 1ouw s ASN 150 Cb -0.13 0.09 0.02 0.00 0.41 0.00 0.00 41.25 41.64 1ouw s ASN 150 CO 0.09 -0.35 0.29 0.00 -1.51 0.00 0.00 177.10 175.62 1ouw s ARG 151 N -2.38 0.77 -0.36 -0.60 1.70 -0.55 -3.01 118.95 114.52 1ouw s ARG 151 Ca -0.04 -0.46 -0.16 0.00 -0.47 0.00 0.00 55.73 54.60 1ouw s ARG 151 Cb -0.04 0.33 -0.00 0.00 -0.57 0.00 0.00 34.95 34.67 1ouw s ARG 151 CO -0.03 -0.24 0.38 -3.38 -1.08 0.00 0.00 175.30 170.96 1ouw s HIS 152 N -2.34 3.20 0.00 5.89 0.00 -1.26 -1.13 115.29 119.65 1ouw s HIS 152 Ca -0.06 -0.12 0.00 0.00 -3.00 0.00 0.00 55.06 51.87 1ouw s HIS 152 Cb -0.02 -2.73 0.00 0.00 -4.00 0.00 0.00 32.58 25.83 1ouw s HIS 152 CO -0.02 -0.51 0.00 1.63 -1.00 0.00 0.00 174.74 174.84