#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x43 s SER 2 N 0.00 3.45 0.22 1.61 1.04 -1.26 -5.17 113.70 113.59 1x43 s SER 2 Ca 0.00 -1.57 -0.06 0.00 0.48 0.00 0.00 55.95 54.80 1x43 s SER 2 Cb 0.00 0.27 -0.03 0.00 0.10 0.00 0.00 66.02 66.36 1x43 s SER 2 CO 0.00 -0.77 0.27 -0.55 0.98 0.00 0.00 173.24 173.17 1x43 s SER 3 N -3.71 0.08 -1.30 7.02 0.15 -1.26 -5.07 113.70 109.61 1x43 s SER 3 Ca 0.20 -1.22 -0.07 0.00 0.70 0.00 0.00 55.95 55.57 1x43 s SER 3 Cb 0.04 0.47 0.14 0.00 -1.71 0.00 0.00 66.02 64.96 1x43 s SER 3 CO 0.11 -0.96 2.20 0.61 1.20 0.00 0.00 173.24 176.39 1x43 n GLY 4 N -0.32 5.08 3.77 9.45 0.00 -1.26 -4.94 105.19 116.97 1x43 n GLY 4 Ca 0.01 -2.08 -0.27 0.00 0.00 0.00 0.00 46.02 43.67 1x43 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x43 s SER 5 N 0.47 4.38 -0.06 1.61 1.04 -1.26 -5.14 113.70 114.73 1x43 s SER 5 Ca 0.49 -1.24 0.05 0.00 0.48 0.00 0.00 55.95 55.72 1x43 s SER 5 Cb 0.15 -0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.16 1x43 s SER 5 CO -0.06 -0.72 -0.20 -0.55 0.98 0.00 0.00 173.24 172.70 1x43 s SER 6 N -3.97 3.55 0.00 7.02 0.15 -1.26 -4.86 113.70 114.34 1x43 s SER 6 Ca 0.32 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1x43 s SER 6 Cb 0.03 -0.87 0.00 0.00 -1.71 0.00 0.00 66.02 63.47 1x43 s SER 6 CO 0.18 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.52 1x43 n GLY 7 N 2.70 0.86 3.57 9.45 0.00 -1.26 -5.16 105.19 115.36 1x43 n GLY 7 Ca -0.17 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 1x43 n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1x43 s LEU 8 N 0.00 -0.42 0.27 0.99 2.34 -1.26 -5.19 118.68 115.42 1x43 s LEU 8 Ca 0.00 -0.18 0.05 0.00 0.06 0.00 0.00 54.13 54.06 1x43 s LEU 8 Cb 0.00 2.48 -0.06 0.00 -0.56 0.00 0.00 46.19 48.05 1x43 s LEU 8 CO 0.00 -0.98 -0.02 0.54 -1.06 0.00 0.00 176.35 174.83 1x43 s ASN 9 N -2.76 2.42 -0.24 1.48 2.20 -1.26 -5.11 114.94 111.68 1x43 s ASN 9 Ca 0.05 -1.24 -0.28 0.00 -0.94 0.00 0.00 52.86 50.45 1x43 s ASN 9 Cb -0.02 -0.10 0.01 0.00 -2.00 0.00 0.00 41.25 39.13 1x43 s ASN 9 CO -0.06 -0.45 1.00 -0.62 -2.94 0.00 0.00 177.10 174.03 1x43 s ASP 10 N -3.41 7.03 -0.53 3.54 -1.08 -1.26 -4.93 116.67 116.04 1x43 s ASP 10 Ca 0.30 1.29 -0.01 0.00 -0.52 0.00 0.00 52.55 53.61 1x43 s ASP 10 Cb 0.05 -2.52 0.37 0.00 -1.46 0.00 0.00 42.92 39.37 1x43 s ASP 10 CO 0.12 -0.65 2.01 0.18 0.52 0.00 0.00 175.17 177.35 1x43 n LEU 11 N 6.27 7.17 -4.47 -1.34 4.32 -1.26 -4.93 117.00 122.76 1x43 n LEU 11 Ca 0.11 -3.87 -0.26 0.00 -0.02 0.00 0.00 56.01 51.96 1x43 n LEU 11 Cb 0.46 -1.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.16 1x43 n LEU 11 CO 0.51 1.35 -0.49 -0.54 -1.22 0.00 0.00 177.39 177.00 1x43 s LYS 12 N -3.04 1.70 -0.03 3.23 1.02 -1.26 -5.06 119.74 116.29 1x43 s LYS 12 Ca 0.52 -1.49 -0.23 0.00 0.02 0.00 0.00 55.97 54.78 1x43 s LYS 12 Cb 0.41 -1.92 -0.17 0.00 -0.52 0.00 0.00 37.83 35.62 1x43 s LYS 12 CO -0.00 0.40 1.05 0.93 -0.92 0.00 0.00 175.35 176.81 1x43 h GLU 13 N 2.97 -0.20 -6.83 1.68 3.07 -2.06 -3.45 114.58 109.75 1x43 h GLU 13 Ca -0.46 0.01 -0.55 0.00 -0.50 0.00 0.00 59.36 57.87 1x43 h GLU 13 Cb 1.22 0.05 0.19 0.00 -0.84 0.00 0.00 28.75 29.36 1x43 h GLU 13 CO 0.51 0.23 -0.24 0.45 -1.40 0.00 0.00 179.01 178.56 1x43 n SER 14 N -4.95 -0.79 -4.12 1.42 2.88 -1.26 -4.99 113.62 101.81 1x43 n SER 14 Ca -0.08 0.54 -0.33 0.00 -1.33 0.00 0.00 58.87 57.66 1x43 n SER 14 Cb 0.26 -1.29 -0.15 0.00 -0.75 0.00 0.00 64.21 62.28 1x43 n SER 14 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x43 s SER 15 N -1.75 4.06 -1.12 -3.46 0.01 -1.26 -5.05 113.70 105.13 1x43 s SER 15 Ca 0.66 -1.04 -0.12 0.00 1.31 0.00 0.00 55.95 56.76 1x43 s SER 15 Cb -0.30 -1.57 0.23 0.00 0.21 0.00 0.00 66.02 64.59 1x43 s SER 15 CO 0.58 -0.12 1.21 0.21 0.41 0.00 0.00 173.24 175.52 1x43 s ASN 16 N 1.22 7.17 0.00 2.44 3.84 -1.26 -4.96 114.94 123.40 1x43 s ASN 16 Ca -0.02 -3.26 -0.26 0.00 0.21 0.00 0.00 52.86 49.52 1x43 s ASN 16 Cb -0.17 -2.29 0.06 0.00 -0.55 0.00 0.00 41.25 38.30 1x43 s ASN 16 CO -0.07 -0.50 0.60 0.54 -2.79 0.00 0.00 177.10 174.88 1x43 s ASN 17 N 2.01 -0.55 0.50 -4.21 4.22 -1.26 -5.08 114.94 110.57 1x43 s ASN 17 Ca 0.34 0.44 -0.01 0.00 -2.14 0.00 0.00 52.86 51.49 1x43 s ASN 17 Cb -0.07 0.52 0.00 0.00 1.28 0.00 0.00 41.25 42.98 1x43 s ASN 17 CO -0.05 -0.67 0.74 -0.13 -2.04 0.00 0.00 177.10 174.95 1x43 s ARG 18 N -1.83 2.96 0.00 3.55 0.52 -0.73 -4.96 118.95 118.46 1x43 s ARG 18 Ca -0.08 -0.40 0.02 0.00 -0.52 0.00 0.00 55.73 54.75 1x43 s ARG 18 Cb -0.01 -2.48 -0.01 0.00 0.52 0.00 0.00 34.95 32.98 1x43 s ARG 18 CO 0.04 -0.43 -0.07 0.15 0.02 0.00 0.00 175.30 175.00 1x43 s LYS 19 N -4.69 0.57 -0.01 3.54 -0.14 -1.26 -1.70 119.74 116.05 1x43 s LYS 19 Ca 0.51 -0.32 -0.12 0.00 -1.36 0.00 0.00 55.97 54.68 1x43 s LYS 19 Cb -0.10 -0.53 0.02 0.00 -1.68 0.00 0.00 37.83 35.53 1x43 s LYS 19 CO 0.40 0.14 0.25 0.00 -0.76 0.00 0.00 175.35 175.38 1x43 s ALA 20 N -0.30 -0.63 -0.18 5.17 0.00 -1.20 -3.58 121.76 121.04 1x43 s ALA 20 Ca 0.01 0.19 -0.13 0.00 0.00 0.00 0.00 51.96 52.04 1x43 s ALA 20 Cb -0.04 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 1x43 s ALA 20 CO -0.00 -0.24 0.24 0.50 0.00 0.00 0.00 175.76 176.26 1x43 s ARG 21 N -1.30 4.23 0.12 0.00 3.52 -1.20 -2.85 118.95 121.47 1x43 s ARG 21 Ca -0.14 -0.01 -0.31 0.00 -0.13 0.00 0.00 55.73 55.15 1x43 s ARG 21 Cb -0.06 -3.44 -0.07 0.00 -1.56 0.00 0.00 34.95 29.82 1x43 s ARG 21 CO 0.03 0.23 1.26 0.08 -0.81 0.00 0.00 175.30 176.10 1x43 s VAL 22 N 0.51 3.64 -0.04 7.11 1.01 0.94 -1.77 120.40 131.80 1x43 s VAL 22 Ca 0.14 1.24 0.08 0.00 0.00 0.00 0.00 61.98 63.43 1x43 s VAL 22 Cb -0.12 -3.79 -0.24 0.00 0.00 0.00 0.00 36.38 32.23 1x43 s VAL 22 CO 0.02 0.13 0.66 -0.07 0.00 0.00 0.00 175.10 175.84 1x43 h LEU 23 N 6.30 0.10 -7.70 3.92 3.38 -1.05 -2.46 115.31 117.80 1x43 h LEU 23 Ca -0.43 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.19 1x43 h LEU 23 Cb 1.21 -0.03 -0.20 0.00 0.09 0.00 0.00 40.66 41.73 1x43 h LEU 23 CO 0.81 1.19 -0.44 -0.31 0.09 0.00 0.00 178.44 179.78 1x43 s TYR 24 N -2.60 0.00 -0.10 1.13 1.51 -1.26 -4.68 117.35 111.35 1x43 s TYR 24 Ca -0.08 -0.07 -0.30 0.00 -1.01 0.00 0.00 57.07 55.61 1x43 s TYR 24 Cb 0.08 -0.02 -0.03 0.00 -0.11 0.00 0.00 41.96 41.88 1x43 s TYR 24 CO 0.82 -0.32 1.32 0.16 -1.11 0.00 0.00 175.55 176.42 1x43 s ASP 25 N -1.46 6.92 0.13 2.29 -4.77 -1.26 -4.42 116.67 114.10 1x43 s ASP 25 Ca -0.14 1.86 0.04 0.00 -3.30 0.00 0.00 52.55 51.01 1x43 s ASP 25 Cb -0.06 -2.55 -0.04 0.00 -1.09 0.00 0.00 42.92 39.18 1x43 s ASP 25 CO 0.02 -0.74 0.12 -0.47 0.70 0.00 0.00 175.17 174.80 1x43 s TYR 26 N 3.10 3.20 -0.32 2.11 5.04 0.82 -4.91 117.35 126.39 1x43 s TYR 26 Ca 0.59 0.04 0.03 0.00 -2.44 0.00 0.00 57.07 55.28 1x43 s TYR 26 Cb -0.25 -1.57 0.09 0.00 0.35 0.00 0.00 41.96 40.57 1x43 s TYR 26 CO 0.20 0.52 0.01 0.34 -1.34 0.00 0.00 175.55 175.29 1x43 s ASP 27 N -2.80 4.73 0.21 4.32 2.15 -1.26 -1.16 116.67 122.84 1x43 s ASP 27 Ca 0.31 -1.86 -0.32 0.00 0.43 0.00 0.00 52.55 51.10 1x43 s ASP 27 Cb -0.11 -1.63 -0.15 0.00 -0.30 0.00 0.00 42.92 40.73 1x43 s ASP 27 CO 0.23 -0.33 1.27 0.00 -0.17 0.00 0.00 175.17 176.17 1x43 n ALA 28 N 4.36 0.11 0.01 3.66 0.00 -1.26 -4.90 120.51 122.50 1x43 n ALA 28 Ca -0.03 0.44 -0.08 0.00 0.00 0.00 0.00 53.44 53.77 1x43 n ALA 28 Cb 0.42 -2.14 -0.13 0.00 0.00 0.00 0.00 19.45 17.60 1x43 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x43 h ALA 29 N 3.71 0.61 -2.75 0.00 0.00 -1.92 -3.48 119.26 115.43 1x43 h ALA 29 Ca -0.44 -1.25 -0.19 0.00 0.00 0.00 0.00 54.91 53.03 1x43 h ALA 29 Cb 1.31 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 19.23 1x43 h ALA 29 CO 0.72 1.46 -0.35 0.54 0.00 0.00 0.00 179.25 181.62 1x43 s ASN 30 N -6.33 0.25 0.16 0.00 2.20 -1.26 -5.04 114.94 104.92 1x43 s ASN 30 Ca -0.02 -1.24 -0.21 0.00 -0.94 0.00 0.00 52.86 50.44 1x43 s ASN 30 Cb 0.09 0.52 0.07 0.00 -2.00 0.00 0.00 41.25 39.92 1x43 s ASN 30 CO 0.82 -1.04 1.62 0.28 -2.94 0.00 0.00 177.10 175.85 1x43 h SER 31 N 2.37 -0.79 -1.25 3.54 0.02 -1.99 0.33 113.55 115.78 1x43 h SER 31 Ca -0.30 0.16 0.40 0.00 -0.84 0.00 0.00 61.79 61.20 1x43 h SER 31 Cb 1.25 0.39 -0.12 0.00 0.14 0.00 0.00 62.40 64.06 1x43 h SER 31 CO 0.43 -0.27 0.80 0.71 -1.14 0.00 0.00 176.83 177.36 1x43 h THR 32 N -0.20 0.20 -3.06 -2.27 1.35 -1.97 -3.39 112.91 103.57 1x43 h THR 32 Ca 0.17 -0.05 -0.55 0.00 -0.55 0.00 0.00 66.41 65.43 1x43 h THR 32 Cb 0.46 0.04 -0.02 0.00 -1.73 0.00 0.00 68.15 66.90 1x43 h THR 32 CO -0.46 0.03 -0.28 -1.61 -0.25 0.00 0.00 175.52 172.95 1x43 s GLU 33 N -5.35 3.59 0.14 4.72 2.02 0.10 0.75 118.70 124.68 1x43 s GLU 33 Ca -0.08 -0.15 0.10 0.00 0.02 0.00 0.00 54.97 54.86 1x43 s GLU 33 Cb 0.29 -2.79 -0.04 0.00 0.10 0.00 0.00 34.13 31.69 1x43 s GLU 33 CO 0.81 0.38 -0.22 -0.51 0.02 0.00 0.00 175.26 175.75 1x43 s LEU 34 N -3.12 2.52 0.40 1.80 1.43 -1.19 -4.63 118.68 115.89 1x43 s LEU 34 Ca 0.41 -0.70 -0.23 0.00 -1.03 0.00 0.00 54.13 52.58 1x43 s LEU 34 Cb -0.11 -1.35 -0.10 0.00 0.03 0.00 0.00 46.19 44.65 1x43 s LEU 34 CO 0.27 0.16 0.96 -0.55 0.23 0.00 0.00 176.35 177.42 1x43 s SER 35 N -2.28 7.03 0.10 2.29 0.15 -1.26 -4.09 113.70 115.64 1x43 s SER 35 Ca 0.18 1.77 0.07 0.00 0.70 0.00 0.00 55.95 58.67 1x43 s SER 35 Cb -0.10 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.62 1x43 s SER 35 CO 0.09 -0.29 -0.18 -0.76 1.20 0.00 0.00 173.24 173.30 1x43 s LEU 36 N -2.79 2.30 0.18 3.45 1.43 -0.31 -4.93 118.68 118.01 1x43 s LEU 36 Ca 0.58 -0.68 0.10 0.00 -1.03 0.00 0.00 54.13 53.11 1x43 s LEU 36 Cb -0.13 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 1x43 s LEU 36 CO 0.18 -0.01 -0.18 -0.76 0.23 0.00 0.00 176.35 175.82 1x43 s LEU 37 N -1.92 2.68 0.06 1.79 1.43 -1.26 -0.13 118.68 121.33 1x43 s LEU 37 Ca 0.04 -0.73 -0.30 0.00 -1.03 0.00 0.00 54.13 52.11 1x43 s LEU 37 Cb -0.09 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 1x43 s LEU 37 CO 0.04 0.12 1.11 0.00 0.23 0.00 0.00 176.35 177.84 1x43 s ALA 38 N -1.65 3.31 -0.39 4.21 0.00 -1.26 -3.34 121.76 122.64 1x43 s ALA 38 Ca 0.22 0.74 -0.01 0.00 0.00 0.00 0.00 51.96 52.91 1x43 s ALA 38 Cb -0.08 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1x43 s ALA 38 CO 0.12 -0.33 0.17 -0.25 0.00 0.00 0.00 175.76 175.47 1x43 n ASP 39 N 3.71 -2.74 -4.07 0.00 8.00 -0.92 -4.95 116.55 115.58 1x43 n ASP 39 Ca 0.07 -0.08 -0.23 0.00 0.71 0.00 0.00 54.79 55.26 1x43 n ASP 39 Cb 0.48 -1.63 -0.16 0.00 -0.02 0.00 0.00 41.12 39.79 1x43 n ASP 39 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1x43 s GLU 40 N -4.87 1.33 -0.27 -1.24 -1.05 -1.21 -4.92 118.70 106.46 1x43 s GLU 40 Ca 0.08 -0.46 -0.06 0.00 -0.15 0.00 0.00 54.97 54.39 1x43 s GLU 40 Cb -0.04 -1.20 0.01 0.00 -0.44 0.00 0.00 34.13 32.46 1x43 s GLU 40 CO 0.10 0.19 0.04 0.08 0.95 0.00 0.00 175.26 176.63 1x43 s VAL 41 N 0.06 3.72 0.46 1.83 1.01 -1.26 -0.04 120.40 126.18 1x43 s VAL 41 Ca -0.02 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.34 1x43 s VAL 41 Cb -0.09 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 1x43 s VAL 41 CO 0.01 0.17 0.20 0.27 0.00 0.00 0.00 175.10 175.75 1x43 s ILE 42 N 1.48 1.99 -0.22 2.22 -4.36 -1.13 -4.93 121.20 116.24 1x43 s ILE 42 Ca 0.03 -1.70 -0.22 0.00 -0.26 0.00 0.00 60.65 58.50 1x43 s ILE 42 Cb -0.17 -2.69 -0.02 0.00 1.25 0.00 0.00 42.46 40.84 1x43 s ILE 42 CO 0.01 0.00 0.69 -0.89 0.24 0.00 0.00 174.94 174.99 1x43 s THR 43 N -2.68 4.96 0.03 8.37 2.01 -1.26 -3.25 115.64 123.82 1x43 s THR 43 Ca 0.34 1.29 0.08 0.00 0.31 0.00 0.00 61.69 63.72 1x43 s THR 43 Cb 0.02 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 1x43 s THR 43 CO 0.19 0.04 -0.23 0.68 -0.69 0.00 0.00 174.62 174.61 1x43 s VAL 44 N 2.31 2.38 -0.18 3.82 -7.23 -0.69 -1.49 120.40 119.33 1x43 s VAL 44 Ca 0.30 -1.25 -0.20 0.00 -1.81 0.00 0.00 61.98 59.02 1x43 s VAL 44 Cb -0.16 -1.94 0.05 0.00 0.56 0.00 0.00 36.38 34.90 1x43 s VAL 44 CO 0.09 0.40 0.54 0.72 -0.31 0.00 0.00 175.10 176.55 1x43 s PHE 45 N -0.81 -0.58 0.54 2.82 -0.71 -0.49 -1.78 117.98 116.97 1x43 s PHE 45 Ca 0.12 1.35 -0.17 0.00 -1.04 0.00 0.00 56.93 57.19 1x43 s PHE 45 Cb -0.10 0.22 -0.06 0.00 -1.21 0.00 0.00 43.02 41.86 1x43 s PHE 45 CO 0.02 -0.32 1.03 -1.12 -1.34 0.00 0.00 175.22 173.49 1x43 s SER 46 N 0.05 6.20 -0.08 1.98 0.01 -1.26 0.46 113.70 121.06 1x43 s SER 46 Ca -0.02 1.78 -0.05 0.00 1.31 0.00 0.00 55.95 58.97 1x43 s SER 46 Cb -0.04 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.69 1x43 s SER 46 CO 0.02 -0.88 0.19 -0.69 0.41 0.00 0.00 173.24 172.29 1x43 s VAL 47 N -2.35 -0.02 0.13 3.43 1.01 -1.26 -4.89 120.40 116.44 1x43 s VAL 47 Ca 0.63 0.09 -0.31 0.00 0.00 0.00 0.00 61.98 62.39 1x43 s VAL 47 Cb -0.14 -0.29 -0.17 0.00 0.00 0.00 0.00 36.38 35.78 1x43 s VAL 47 CO 0.30 0.04 0.68 0.52 0.00 0.00 0.00 175.10 176.63 1x43 n VAL 48 N 3.66 1.32 -1.16 2.92 0.31 -1.26 -0.49 118.33 123.63 1x43 n VAL 48 Ca -0.20 -0.33 -0.06 0.00 -0.01 0.00 0.00 64.34 63.74 1x43 n VAL 48 Cb 0.55 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.46 1x43 n VAL 48 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x43 n GLY 49 N 1.79 0.81 3.65 2.92 0.00 -1.26 -5.02 105.19 108.08 1x43 n GLY 49 Ca 0.18 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 1x43 n GLY 49 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1x43 s MET 50 N -2.30 3.32 0.47 1.61 0.00 0.36 -5.09 119.30 117.66 1x43 s MET 50 Ca 0.00 -0.41 -0.23 0.00 0.00 0.00 0.00 55.69 55.06 1x43 s MET 50 Cb 0.00 -2.91 -0.07 0.00 0.00 0.00 0.00 34.83 31.85 1x43 s MET 50 CO 0.00 0.54 1.17 -0.51 0.00 0.00 0.00 175.02 176.22 1x43 s ASP 51 N -0.42 6.10 0.19 1.11 1.11 -1.26 -4.89 116.67 118.61 1x43 s ASP 51 Ca 0.08 2.31 0.17 0.00 0.18 0.00 0.00 52.55 55.28 1x43 s ASP 51 Cb -0.12 -2.60 0.79 0.00 1.07 0.00 0.00 42.92 42.06 1x43 s ASP 51 CO 0.02 -0.96 1.51 -0.24 1.18 0.00 0.00 175.17 176.67 1x43 n SER 52 N -0.58 0.39 -1.44 0.27 2.88 -1.26 -0.92 113.62 112.96 1x43 n SER 52 Ca 0.08 0.64 0.10 0.00 -1.33 0.00 0.00 58.87 58.36 1x43 n SER 52 Cb 0.48 -0.71 0.33 0.00 -0.75 0.00 0.00 64.21 63.57 1x43 n SER 52 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1x43 n ASP 53 N -1.98 4.22 -3.70 -3.46 8.00 -1.26 -4.83 116.55 113.54 1x43 n ASP 53 Ca 0.01 -2.24 -0.11 0.00 0.71 0.00 0.00 54.79 53.15 1x43 n ASP 53 Cb 0.10 -0.53 -0.12 0.00 -0.02 0.00 0.00 41.12 40.56 1x43 n ASP 53 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1x43 s TRP 54 N -1.50 -0.53 0.28 1.24 0.52 -0.10 -2.48 118.94 116.37 1x43 s TRP 54 Ca 0.48 1.14 0.11 0.00 0.02 0.00 0.00 56.10 57.85 1x43 s TRP 54 Cb 0.28 0.17 -0.05 0.00 -1.15 0.00 0.00 33.47 32.73 1x43 s TRP 54 CO 0.27 -0.33 -0.12 -0.51 0.02 0.00 0.00 176.95 176.29 1x43 s LEU 55 N 1.65 2.85 -0.65 2.99 1.43 0.46 -4.29 118.68 123.11 1x43 s LEU 55 Ca -0.07 -0.87 -0.27 0.00 -1.03 0.00 0.00 54.13 51.88 1x43 s LEU 55 Cb -0.10 -1.35 0.02 0.00 0.03 0.00 0.00 46.19 44.78 1x43 s LEU 55 CO -0.11 0.02 1.39 -0.32 0.23 0.00 0.00 176.35 177.55 1x43 s MET 56 N -3.58 3.19 -0.02 1.70 1.75 0.17 -0.23 119.30 122.28 1x43 s MET 56 Ca 0.31 0.14 -0.14 0.00 -1.25 0.00 0.00 55.69 54.75 1x43 s MET 56 Cb -0.05 -4.17 -0.05 0.00 2.84 0.00 0.00 34.83 33.39 1x43 s MET 56 CO 0.17 -2.11 0.37 0.20 -0.65 0.00 0.00 175.02 173.00 1x43 s GLY 57 N 4.44 2.44 -0.25 2.11 0.00 -0.47 -1.40 107.32 114.19 1x43 s GLY 57 Ca 0.45 -0.28 0.02 0.00 0.00 0.00 0.00 44.72 44.92 1x43 s GLY 57 CO 0.20 0.08 -0.08 1.85 0.00 0.00 0.00 173.10 175.15 1x43 s GLU 58 N -1.06 1.88 0.02 2.90 2.12 -0.55 -1.88 118.70 122.13 1x43 s GLU 58 Ca 0.23 -1.16 -0.05 0.00 0.36 0.00 0.00 54.97 54.35 1x43 s GLU 58 Cb -0.16 -2.73 -0.01 0.00 0.26 0.00 0.00 34.13 31.49 1x43 s GLU 58 CO 0.12 -0.59 0.07 0.50 -0.54 0.00 0.00 175.26 174.82 1x43 s ARG 59 N 1.26 0.47 -1.21 4.30 3.52 -0.04 -4.00 118.95 123.25 1x43 s ARG 59 Ca -0.07 -0.60 -0.34 0.00 -0.13 0.00 0.00 55.73 54.59 1x43 s ARG 59 Cb -0.19 0.19 0.04 0.00 -1.56 0.00 0.00 34.95 33.43 1x43 s ARG 59 CO -0.06 -0.11 0.69 0.41 -0.81 0.00 0.00 175.30 175.42 1x43 n GLY 60 N 1.23 -0.84 3.63 8.12 0.00 -1.26 0.82 105.19 116.88 1x43 n GLY 60 Ca -0.22 0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1x43 n GLY 60 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x43 n ASN 61 N -2.18 -2.23 -4.13 1.61 3.02 -1.26 -4.90 115.26 105.20 1x43 n ASN 61 Ca -0.11 -0.51 -0.11 0.00 -0.03 0.00 0.00 54.58 53.83 1x43 n ASN 61 Cb 0.56 -1.92 -0.10 0.00 -0.61 0.00 0.00 39.78 37.71 1x43 n ASN 61 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1x43 s GLN 62 N -6.26 0.72 0.03 3.52 -0.21 0.24 -5.17 119.66 112.53 1x43 s GLN 62 Ca 0.48 -1.17 0.02 0.00 0.02 0.00 0.00 55.36 54.71 1x43 s GLN 62 Cb -0.27 -0.15 -0.02 0.00 1.00 0.00 0.00 33.01 33.57 1x43 s GLN 62 CO 0.59 -0.02 -0.08 0.15 -2.12 0.00 0.00 175.29 173.81 1x43 s LYS 63 N -3.30 0.57 0.00 2.91 1.02 -1.26 -0.86 119.74 118.82 1x43 s LYS 63 Ca 0.06 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.49 1x43 s LYS 63 Cb 0.02 -0.45 0.00 0.00 -0.52 0.00 0.00 37.83 36.88 1x43 s LYS 63 CO -0.04 0.11 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 1x43 n GLY 64 N 2.06 1.29 3.65 -3.33 0.00 -0.79 -4.85 105.19 103.22 1x43 n GLY 64 Ca -0.18 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.61 1x43 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x43 s LYS 65 N -1.29 4.09 -0.12 1.61 1.02 0.23 -1.36 119.74 123.91 1x43 s LYS 65 Ca 0.00 0.01 -0.01 0.00 0.02 0.00 0.00 55.97 55.99 1x43 s LYS 65 Cb 0.00 -3.58 -0.02 0.00 -0.52 0.00 0.00 37.83 33.71 1x43 s LYS 65 CO 0.00 -0.08 -0.10 0.14 -0.92 0.00 0.00 175.35 174.39 1x43 s VAL 66 N 1.47 3.35 -0.06 3.17 -7.23 0.68 -3.19 120.40 118.58 1x43 s VAL 66 Ca 0.14 -0.56 -0.30 0.00 -1.81 0.00 0.00 61.98 59.45 1x43 s VAL 66 Cb -0.15 -2.41 -0.05 0.00 0.56 0.00 0.00 36.38 34.33 1x43 s VAL 66 CO 0.08 0.53 1.50 -2.16 -0.31 0.00 0.00 175.10 174.73 1x43 s PRO 67 N 0.13 4.22 0.41 4.82 0.04 -1.26 -0.40 135.00 142.95 1x43 s PRO 67 Ca -0.05 2.01 0.10 0.00 0.04 0.00 0.00 61.00 63.11 1x43 s PRO 67 Cb -0.14 -3.81 0.85 0.00 0.04 0.00 0.00 34.50 31.43 1x43 s PRO 67 CO 0.04 -0.74 1.95 0.82 0.04 0.00 0.00 177.00 179.11 1x43 h ILE 68 N 5.36 1.15 -0.01 0.56 5.03 -1.81 -1.83 117.51 125.97 1x43 h ILE 68 Ca -0.36 -0.65 0.00 0.00 -0.12 0.00 0.00 64.86 63.73 1x43 h ILE 68 Cb 1.16 1.14 -0.00 0.00 -3.03 0.00 0.00 36.82 36.09 1x43 h ILE 68 CO 0.94 0.21 0.06 0.71 -0.68 0.00 0.00 178.15 179.39 1x43 h THR 69 N 0.22 0.07 0.00 -0.27 1.35 -1.91 0.11 112.91 112.48 1x43 h THR 69 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 1x43 h THR 69 Cb 0.30 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1x43 h THR 69 CO 0.02 0.00 -1.20 -1.22 -0.25 0.00 0.00 175.52 172.87 1x43 n TYR 70 N -3.16 0.00 -4.51 4.73 4.02 -0.70 -4.93 117.16 112.61 1x43 n TYR 70 Ca -0.03 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.54 1x43 n TYR 70 Cb 0.13 -0.11 -0.11 0.00 -0.02 0.00 0.00 39.34 39.24 1x43 n TYR 70 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1x43 s LEU 71 N -3.31 3.19 -0.49 7.72 1.43 0.39 -0.46 118.68 127.15 1x43 s LEU 71 Ca 0.04 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 1x43 s LEU 71 Cb 0.15 -1.78 0.13 0.00 0.03 0.00 0.00 46.19 44.71 1x43 s LEU 71 CO 0.86 0.31 0.23 -0.70 0.23 0.00 0.00 176.35 177.28 1x43 s GLU 72 N -1.22 1.92 -0.33 1.70 2.12 -0.73 -4.83 118.70 117.33 1x43 s GLU 72 Ca 0.16 -2.44 -0.36 0.00 0.36 0.00 0.00 54.97 52.68 1x43 s GLU 72 Cb -0.11 -3.33 -0.12 0.00 0.26 0.00 0.00 34.13 30.82 1x43 s GLU 72 CO 0.06 -1.08 2.11 1.28 -0.54 0.00 0.00 175.26 177.08 1x43 n LEU 73 N 3.41 2.17 -4.82 2.70 4.77 -1.26 -3.24 117.00 120.73 1x43 n LEU 73 Ca 0.05 0.56 -0.33 0.00 -0.03 0.00 0.00 56.01 56.26 1x43 n LEU 73 Cb 0.35 -1.23 -0.02 0.00 -2.33 0.00 0.00 43.42 40.19 1x43 n LEU 73 CO 0.31 -0.65 0.70 -0.76 -1.33 0.00 0.00 177.39 175.67 1x43 s LEU 74 N 6.51 3.60 -0.50 2.23 1.43 -1.23 -5.00 118.68 125.72 1x43 s LEU 74 Ca 1.08 1.71 -0.19 0.00 -1.03 0.00 0.00 54.13 55.70 1x43 s LEU 74 Cb -0.91 -4.52 0.05 0.00 0.03 0.00 0.00 46.19 40.83 1x43 s LEU 74 CO 0.53 -0.85 0.62 0.20 0.23 0.00 0.00 176.35 177.07 1x43 s ASN 75 N -2.82 6.23 -0.16 2.29 -0.87 -1.26 -4.94 114.94 113.42 1x43 s ASN 75 Ca 0.62 -0.86 -0.04 0.00 -1.57 0.00 0.00 52.86 51.01 1x43 s ASN 75 Cb -0.13 -2.29 -0.07 0.00 -0.02 0.00 0.00 41.25 38.74 1x43 s ASN 75 CO 0.32 -0.87 2.89 -1.20 -2.57 0.00 0.00 177.10 175.67 1x43 n SER 76 N 6.14 5.73 -3.62 -1.22 7.64 -1.26 -4.84 113.62 122.20 1x43 n SER 76 Ca -0.06 -2.72 -0.00 0.00 1.01 0.00 0.00 58.87 57.09 1x43 n SER 76 Cb 0.46 -1.27 0.01 0.00 -1.01 0.00 0.00 64.21 62.39 1x43 n SER 76 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x43 s GLY 77 N 1.35 -0.15 0.00 0.23 0.00 -1.26 -5.00 107.32 102.49 1x43 s GLY 77 Ca 0.47 0.12 0.10 0.00 0.00 0.00 0.00 44.72 45.41 1x43 s GLY 77 CO -0.06 2.33 1.03 -1.55 0.00 0.00 0.00 173.10 174.86 1x43 n PRO 78 N -0.67 0.49 -1.07 2.90 -0.04 -1.26 -4.89 135.00 130.47 1x43 n PRO 78 Ca -0.03 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.06 1x43 n PRO 78 Cb 0.60 -1.32 -0.03 0.00 -0.04 0.00 0.00 33.50 32.72 1x43 n PRO 78 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x43 n SER 79 N -0.82 -0.84 -3.38 3.54 7.64 -1.26 -4.64 113.62 113.86 1x43 n SER 79 Ca 0.07 0.86 -0.36 0.00 1.01 0.00 0.00 58.87 60.45 1x43 n SER 79 Cb 0.03 -0.71 -0.02 0.00 -1.01 0.00 0.00 64.21 62.50 1x43 n SER 79 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x43 n SER 80 N 1.47 -1.16 0.00 6.43 2.88 -1.26 -5.11 113.62 116.86 1x43 n SER 80 Ca 0.14 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1x43 n SER 80 Cb 0.17 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 1x43 n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42