#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x43 n SER 2 N 0.00 -4.81 -2.42 1.61 7.64 -1.26 -4.91 113.62 109.47 1x43 n SER 2 Ca 0.00 -0.54 -0.34 0.00 1.01 0.00 0.00 58.87 59.00 1x43 n SER 2 Cb 0.00 -4.86 0.06 0.00 -1.01 0.00 0.00 64.21 58.41 1x43 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x43 n SER 3 N -2.88 7.25 0.00 6.43 7.64 -1.26 -4.98 113.62 125.82 1x43 n SER 3 Ca -0.09 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.00 1x43 n SER 3 Cb 0.59 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 1x43 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x43 n GLY 4 N -0.80 3.97 3.38 0.23 0.00 -1.26 -5.03 105.19 105.68 1x43 n GLY 4 Ca 0.58 -1.67 -0.06 0.00 0.00 0.00 0.00 46.02 44.87 1x43 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x43 s SER 5 N 0.00 -0.53 0.24 1.61 0.15 -1.26 -5.15 113.70 108.76 1x43 s SER 5 Ca 0.00 1.17 -0.30 0.00 0.70 0.00 0.00 55.95 57.53 1x43 s SER 5 Cb 0.00 1.65 -0.09 0.00 -1.71 0.00 0.00 66.02 65.87 1x43 s SER 5 CO 0.00 -0.23 1.11 -0.44 1.20 0.00 0.00 173.24 174.88 1x43 s SER 6 N 2.70 7.25 0.00 5.45 0.01 -1.26 -4.99 113.70 122.86 1x43 s SER 6 Ca -0.03 2.21 0.00 0.00 1.31 0.00 0.00 55.95 59.44 1x43 s SER 6 Cb -0.12 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.49 1x43 s SER 6 CO -0.15 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 173.92 1x43 n GLY 7 N 1.57 0.08 3.65 3.44 0.00 -1.26 -5.13 105.19 107.55 1x43 n GLY 7 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.29 2.64 -0.94 0.99 -0.00 -1.26 -5.09 118.68 113.73 1x43 s LEU 8 Ca 0.00 -1.47 -0.11 0.00 -0.00 0.00 0.00 54.13 52.55 1x43 s LEU 8 Cb 0.00 -0.80 0.24 0.00 -0.00 0.00 0.00 46.19 45.63 1x43 s LEU 8 CO 0.00 -0.60 0.89 0.20 -0.00 0.00 0.00 176.35 176.85 1x43 s ASN 9 N -3.75 6.89 -0.04 1.48 0.01 -1.26 -5.00 114.94 113.28 1x43 s ASN 9 Ca 0.25 -3.10 -0.04 0.00 -0.71 0.00 0.00 52.86 49.26 1x43 s ASN 9 Cb 0.07 -2.18 0.01 0.00 0.41 0.00 0.00 41.25 39.56 1x43 s ASN 9 CO 0.13 -0.43 0.10 -1.81 -1.51 0.00 0.00 177.10 173.58 1x43 s ASP 10 N 1.67 -0.10 -0.39 -1.22 1.11 -1.26 -5.12 116.67 111.35 1x43 s ASP 10 Ca 0.23 0.18 -0.02 0.00 0.18 0.00 0.00 52.55 53.12 1x43 s ASP 10 Cb -0.10 0.21 0.10 0.00 1.07 0.00 0.00 42.92 44.20 1x43 s ASP 10 CO -0.09 -0.05 0.17 -0.76 1.18 0.00 0.00 175.17 175.62 1x43 s LEU 11 N -0.03 5.10 -0.25 1.23 1.43 -1.26 -5.03 118.68 119.87 1x43 s LEU 11 Ca -0.01 -1.99 -0.02 0.00 -1.03 0.00 0.00 54.13 51.09 1x43 s LEU 11 Cb -0.01 -1.80 0.13 0.00 0.03 0.00 0.00 46.19 44.54 1x43 s LEU 11 CO 0.00 -0.51 0.33 -0.54 0.23 0.00 0.00 176.35 175.87 1x43 s LYS 12 N 1.12 0.32 -1.20 1.70 1.02 -1.26 -5.07 119.74 116.37 1x43 s LYS 12 Ca 0.08 0.24 -0.10 0.00 0.02 0.00 0.00 55.97 56.21 1x43 s LYS 12 Cb -0.22 -0.63 0.21 0.00 -0.52 0.00 0.00 37.83 36.66 1x43 s LYS 12 CO -0.04 -0.80 1.55 -0.85 -0.92 0.00 0.00 175.35 174.28 1x43 n GLU 13 N 5.34 3.64 -3.88 1.68 0.28 -1.26 -4.93 120.64 121.52 1x43 n GLU 13 Ca -0.03 -3.93 -0.34 0.00 -0.16 0.00 0.00 57.16 52.70 1x43 n GLU 13 Cb 0.49 -2.85 -0.13 0.00 1.43 0.00 0.00 31.44 30.38 1x43 n GLU 13 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1x43 s SER 14 N 1.27 4.99 -0.13 -1.84 0.01 -1.26 -5.06 113.70 111.67 1x43 s SER 14 Ca 0.38 -2.26 -0.21 0.00 1.31 0.00 0.00 55.95 55.18 1x43 s SER 14 Cb 0.01 -1.74 0.05 0.00 0.21 0.00 0.00 66.02 64.55 1x43 s SER 14 CO 0.01 -0.44 0.52 -0.44 0.41 0.00 0.00 173.24 173.30 1x43 s SER 15 N 1.17 -0.51 -0.55 2.44 0.01 -1.26 -5.11 113.70 109.89 1x43 s SER 15 Ca 0.11 0.80 0.04 0.00 1.31 0.00 0.00 55.95 58.21 1x43 s SER 15 Cb -0.21 0.82 0.15 0.00 0.21 0.00 0.00 66.02 66.99 1x43 s SER 15 CO -0.05 -0.33 0.36 0.20 0.41 0.00 0.00 173.24 173.83 1x43 s ASN 16 N -0.36 3.80 0.51 2.44 0.01 -1.26 -5.10 114.94 114.98 1x43 s ASN 16 Ca -0.05 -3.26 0.07 0.00 -0.71 0.00 0.00 52.86 48.90 1x43 s ASN 16 Cb -0.03 -1.25 0.02 0.00 0.41 0.00 0.00 41.25 40.40 1x43 s ASN 16 CO 0.03 -0.17 0.43 0.20 -1.51 0.00 0.00 177.10 176.08 1x43 s ASN 17 N -0.53 4.79 0.31 -1.22 -0.87 -1.26 -5.08 114.94 111.08 1x43 s ASN 17 Ca 0.23 -1.06 0.07 0.00 -1.57 0.00 0.00 52.86 50.54 1x43 s ASN 17 Cb -0.11 0.08 -0.02 0.00 -0.02 0.00 0.00 41.25 41.18 1x43 s ASN 17 CO -0.10 -0.98 0.36 -0.13 -2.57 0.00 0.00 177.10 173.68 1x43 s ARG 18 N -4.26 2.99 -0.03 -0.60 0.52 0.11 -4.94 118.95 112.73 1x43 s ARG 18 Ca 0.41 -1.09 0.03 0.00 -0.52 0.00 0.00 55.73 54.56 1x43 s ARG 18 Cb -0.02 -2.67 0.00 0.00 0.52 0.00 0.00 34.95 32.78 1x43 s ARG 18 CO 0.25 0.16 -0.11 0.15 0.02 0.00 0.00 175.30 175.77 1x43 s LYS 19 N -4.04 1.14 -0.00 3.54 -0.14 -1.26 0.38 119.74 119.35 1x43 s LYS 19 Ca 0.41 -0.38 -0.08 0.00 -1.36 0.00 0.00 55.97 54.56 1x43 s LYS 19 Cb -0.08 -1.04 0.00 0.00 -1.68 0.00 0.00 37.83 35.03 1x43 s LYS 19 CO 0.28 0.16 0.15 0.00 -0.76 0.00 0.00 175.35 175.18 1x43 s ALA 20 N 0.10 -0.35 -0.13 5.17 0.00 -1.16 -3.26 121.76 122.13 1x43 s ALA 20 Ca -0.02 -0.09 -0.14 0.00 0.00 0.00 0.00 51.96 51.71 1x43 s ALA 20 Cb -0.09 0.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 1x43 s ALA 20 CO 0.01 -0.21 0.33 0.50 0.00 0.00 0.00 175.76 176.39 1x43 s ARG 21 N -1.32 4.19 0.24 0.00 3.52 -1.23 -2.46 118.95 121.89 1x43 s ARG 21 Ca -0.14 0.18 -0.30 0.00 -0.13 0.00 0.00 55.73 55.35 1x43 s ARG 21 Cb -0.07 -3.39 -0.09 0.00 -1.56 0.00 0.00 34.95 29.84 1x43 s ARG 21 CO 0.02 0.31 1.18 0.08 -0.81 0.00 0.00 175.30 176.08 1x43 s VAL 22 N 0.23 3.41 -0.13 7.11 1.01 0.85 -1.64 120.40 131.25 1x43 s VAL 22 Ca 0.19 1.29 0.18 0.00 0.00 0.00 0.00 61.98 63.64 1x43 s VAL 22 Cb -0.14 -3.82 -0.19 0.00 0.00 0.00 0.00 36.38 32.24 1x43 s VAL 22 CO 0.06 0.25 0.63 0.18 0.00 0.00 0.00 175.10 176.22 1x43 n LEU 23 N 1.84 0.53 -3.71 3.92 4.77 0.71 -2.26 117.00 122.81 1x43 n LEU 23 Ca 0.02 0.23 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 1x43 n LEU 23 Cb 0.44 0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 41.58 1x43 n LEU 23 CO 0.56 0.17 0.13 -0.31 -1.33 0.00 0.00 177.39 176.61 1x43 s TYR 24 N -2.98 -0.40 -0.19 -1.77 1.51 -1.26 -4.70 117.35 107.57 1x43 s TYR 24 Ca -0.05 0.83 -0.29 0.00 -1.01 0.00 0.00 57.07 56.55 1x43 s TYR 24 Cb 0.09 0.18 -0.04 0.00 -0.11 0.00 0.00 41.96 42.08 1x43 s TYR 24 CO 0.83 -0.35 1.76 0.16 -1.11 0.00 0.00 175.55 176.84 1x43 s ASP 25 N -0.59 6.22 0.20 2.29 -4.77 -1.26 -4.43 116.67 114.32 1x43 s ASP 25 Ca -0.07 1.78 -0.02 0.00 -3.30 0.00 0.00 52.55 50.94 1x43 s ASP 25 Cb -0.03 -2.53 -0.05 0.00 -1.09 0.00 0.00 42.92 39.22 1x43 s ASP 25 CO 0.03 -1.36 0.40 -0.47 0.70 0.00 0.00 175.17 174.47 1x43 s TYR 26 N 5.67 3.48 -0.31 2.11 5.04 0.35 -4.88 117.35 128.81 1x43 s TYR 26 Ca 0.78 0.43 0.03 0.00 -2.44 0.00 0.00 57.07 55.87 1x43 s TYR 26 Cb -0.28 -1.92 0.09 0.00 0.35 0.00 0.00 41.96 40.20 1x43 s TYR 26 CO 0.32 0.37 0.00 0.34 -1.34 0.00 0.00 175.55 175.24 1x43 s ASP 27 N -2.97 4.51 0.23 4.32 2.15 -1.26 -0.79 116.67 122.85 1x43 s ASP 27 Ca 0.40 -1.81 -0.32 0.00 0.43 0.00 0.00 52.55 51.25 1x43 s ASP 27 Cb -0.11 -1.48 -0.14 0.00 -0.30 0.00 0.00 42.92 40.89 1x43 s ASP 27 CO 0.28 -0.32 1.41 0.00 -0.17 0.00 0.00 175.17 176.37 1x43 n ALA 28 N 4.40 1.02 0.06 3.66 0.00 -1.25 -4.91 120.51 123.49 1x43 n ALA 28 Ca -0.03 0.42 -0.19 0.00 0.00 0.00 0.00 53.44 53.64 1x43 n ALA 28 Cb 0.42 -2.27 -0.14 0.00 0.00 0.00 0.00 19.45 17.46 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 4.32 0.27 -2.21 0.00 0.00 -1.92 -3.47 119.26 116.25 1x43 h ALA 29 Ca -0.45 -1.17 -0.40 0.00 0.00 0.00 0.00 54.91 52.89 1x43 h ALA 29 Cb 1.28 0.39 -0.14 0.00 0.00 0.00 0.00 17.79 19.32 1x43 h ALA 29 CO 0.77 1.14 -0.61 0.54 0.00 0.00 0.00 179.25 181.08 1x43 s ASN 30 N -7.05 1.68 0.12 0.00 6.03 -1.26 -5.04 114.94 109.43 1x43 s ASN 30 Ca -0.12 -1.37 -0.33 0.00 -1.03 0.00 0.00 52.86 50.00 1x43 s ASN 30 Cb 0.06 0.06 -0.11 0.00 -3.03 0.00 0.00 41.25 38.23 1x43 s ASN 30 CO 0.84 -0.67 1.56 -1.28 -2.03 0.00 0.00 177.10 175.52 1x43 h SER 31 N 2.28 -1.65 -1.12 3.54 0.87 -1.99 0.14 113.55 115.61 1x43 h SER 31 Ca -0.39 0.20 0.42 0.00 -1.23 0.00 0.00 61.79 60.79 1x43 h SER 31 Cb 1.24 0.65 -0.15 0.00 -0.44 0.00 0.00 62.40 63.71 1x43 h SER 31 CO 0.64 -0.47 0.67 0.35 -0.53 0.00 0.00 176.83 177.50 1x43 n THR 32 N -5.43 -0.32 -2.92 2.23 -2.24 -1.26 -4.32 114.28 100.02 1x43 n THR 32 Ca -0.05 1.81 -0.30 0.00 -2.27 0.00 0.00 64.05 63.24 1x43 n THR 32 Cb 0.38 -2.96 -0.03 0.00 -2.10 0.00 0.00 70.33 65.61 1x43 n THR 32 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1x43 s GLU 33 N -5.30 3.75 0.12 -0.78 2.02 0.03 0.87 118.70 119.42 1x43 s GLU 33 Ca -0.08 0.40 0.10 0.00 0.02 0.00 0.00 54.97 55.41 1x43 s GLU 33 Cb 0.31 -2.43 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 1x43 s GLU 33 CO 0.76 -0.01 -0.23 -0.51 0.02 0.00 0.00 175.26 175.28 1x43 s LEU 34 N -3.83 2.32 0.12 1.80 1.43 -1.19 -4.67 118.68 114.66 1x43 s LEU 34 Ca 0.50 -0.73 -0.27 0.00 -1.03 0.00 0.00 54.13 52.60 1x43 s LEU 34 Cb -0.10 -1.04 -0.07 0.00 0.03 0.00 0.00 46.19 45.01 1x43 s LEU 34 CO 0.31 0.11 0.85 -0.44 0.23 0.00 0.00 176.35 177.41 1x43 s SER 35 N -2.06 7.39 0.17 2.29 0.01 -1.26 -3.88 113.70 116.37 1x43 s SER 35 Ca 0.11 1.66 0.11 0.00 1.31 0.00 0.00 55.95 59.14 1x43 s SER 35 Cb -0.10 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 1x43 s SER 35 CO 0.05 0.06 -0.25 -0.76 0.41 0.00 0.00 173.24 172.75 1x43 s LEU 36 N -0.44 2.40 0.34 2.44 1.43 0.03 -4.92 118.68 119.96 1x43 s LEU 36 Ca 0.41 -0.82 0.09 0.00 -1.03 0.00 0.00 54.13 52.78 1x43 s LEU 36 Cb -0.23 -1.20 -0.05 0.00 0.03 0.00 0.00 46.19 44.74 1x43 s LEU 36 CO 0.27 0.14 0.04 -0.76 0.23 0.00 0.00 176.35 176.27 1x43 s LEU 37 N -2.44 3.05 0.03 1.79 1.43 -1.26 0.13 118.68 121.41 1x43 s LEU 37 Ca 0.18 -0.93 -0.27 0.00 -1.03 0.00 0.00 54.13 52.07 1x43 s LEU 37 Cb -0.09 -1.45 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 1x43 s LEU 37 CO 0.08 -0.25 0.87 0.00 0.23 0.00 0.00 176.35 177.29 1x43 s ALA 38 N -2.49 3.27 -0.57 4.21 0.00 -1.26 -3.81 121.76 121.11 1x43 s ALA 38 Ca 0.35 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.69 1x43 s ALA 38 Cb -0.01 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1x43 s ALA 38 CO 0.20 -0.07 0.49 -0.25 0.00 0.00 0.00 175.76 176.14 1x43 n ASP 39 N 3.26 -3.45 -3.86 0.00 9.92 -0.96 -4.93 116.55 116.53 1x43 n ASP 39 Ca 0.01 -0.24 -0.17 0.00 -0.53 0.00 0.00 54.79 53.86 1x43 n ASP 39 Cb 0.50 -2.46 -0.16 0.00 -0.64 0.00 0.00 41.12 38.36 1x43 n ASP 39 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1x43 s GLU 40 N -5.33 0.45 -0.19 -1.24 -1.05 -1.25 -4.93 118.70 105.16 1x43 s GLU 40 Ca 0.19 -0.02 -0.07 0.00 -0.15 0.00 0.00 54.97 54.92 1x43 s GLU 40 Cb -0.09 -0.54 -0.04 0.00 -0.44 0.00 0.00 34.13 33.02 1x43 s GLU 40 CO 0.31 -0.07 0.05 0.08 0.95 0.00 0.00 175.26 176.58 1x43 s VAL 41 N 0.75 4.63 0.42 1.83 1.01 -1.26 -0.10 120.40 127.68 1x43 s VAL 41 Ca -0.08 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.85 1x43 s VAL 41 Cb -0.11 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1x43 s VAL 41 CO -0.01 0.45 0.06 0.27 0.00 0.00 0.00 175.10 175.87 1x43 s ILE 42 N 0.54 1.07 -0.40 2.22 -4.36 -1.03 -4.95 121.20 114.29 1x43 s ILE 42 Ca 0.02 -2.00 -0.24 0.00 -0.26 0.00 0.00 60.65 58.18 1x43 s ILE 42 Cb -0.13 -2.49 0.02 0.00 1.25 0.00 0.00 42.46 41.11 1x43 s ILE 42 CO 0.01 0.00 0.81 -0.89 0.24 0.00 0.00 174.94 175.12 1x43 s THR 43 N -3.08 4.67 -0.06 8.37 2.01 -1.26 -2.99 115.64 123.30 1x43 s THR 43 Ca 0.23 0.79 0.01 0.00 0.31 0.00 0.00 61.69 63.03 1x43 s THR 43 Cb 0.05 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 1x43 s THR 43 CO 0.12 -0.56 -0.05 0.68 -0.69 0.00 0.00 174.62 174.12 1x43 s VAL 44 N 3.26 3.83 -0.15 3.82 -7.23 0.16 -1.73 120.40 122.36 1x43 s VAL 44 Ca 0.32 -0.47 -0.20 0.00 -1.81 0.00 0.00 61.98 59.82 1x43 s VAL 44 Cb -0.12 -2.59 0.05 0.00 0.56 0.00 0.00 36.38 34.28 1x43 s VAL 44 CO 0.20 0.57 0.53 0.72 -0.31 0.00 0.00 175.10 176.81 1x43 s PHE 45 N -0.85 -0.55 0.17 2.82 -0.71 -0.43 0.05 117.98 118.48 1x43 s PHE 45 Ca 0.13 1.23 -0.26 0.00 -1.04 0.00 0.00 56.93 56.99 1x43 s PHE 45 Cb -0.11 0.22 -0.08 0.00 -1.21 0.00 0.00 43.02 41.84 1x43 s PHE 45 CO 0.02 -0.36 0.80 -1.12 -1.34 0.00 0.00 175.22 173.23 1x43 s SER 46 N -0.20 7.42 -0.01 1.98 0.01 -1.26 0.61 113.70 122.25 1x43 s SER 46 Ca -0.04 1.68 0.07 0.00 1.31 0.00 0.00 55.95 58.97 1x43 s SER 46 Cb -0.03 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 1x43 s SER 46 CO 0.03 0.19 -0.22 -0.69 0.41 0.00 0.00 173.24 172.96 1x43 s VAL 47 N -1.09 1.73 0.15 3.43 1.01 -1.26 -4.95 120.40 119.41 1x43 s VAL 47 Ca 0.37 -0.97 -0.33 0.00 0.00 0.00 0.00 61.98 61.05 1x43 s VAL 47 Cb -0.23 -1.44 -0.17 0.00 0.00 0.00 0.00 36.38 34.53 1x43 s VAL 47 CO 0.27 0.46 0.93 0.52 0.00 0.00 0.00 175.10 177.28 1x43 n VAL 48 N 2.46 1.10 0.00 2.92 0.31 -1.26 -0.27 118.33 123.59 1x43 n VAL 48 Ca -0.16 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1x43 n VAL 48 Cb 0.53 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 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 1.83 1.78 3.10 2.92 0.00 -1.26 -4.99 105.19 108.57 1x43 n GLY 49 Ca 0.17 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1x43 n GLY 49 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1x43 n MET 50 N 0.00 -0.41 -3.11 1.61 0.00 0.62 -4.97 117.12 110.87 1x43 n MET 50 Ca 0.00 -0.11 -0.23 0.00 0.00 0.00 0.00 57.70 57.36 1x43 n MET 50 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 33.22 31.98 1x43 n MET 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1x43 s ASP 51 N -1.29 5.95 0.17 6.12 1.01 -1.26 -4.96 116.67 122.41 1x43 s ASP 51 Ca 0.43 0.28 0.03 0.00 0.71 0.00 0.00 52.55 54.00 1x43 s ASP 51 Cb -0.03 -1.61 0.02 0.00 1.01 0.00 0.00 42.92 42.31 1x43 s ASP 51 CO 0.70 -0.59 1.40 0.28 0.21 0.00 0.00 175.17 177.17 1x43 h SER 52 N 0.52 0.25 -0.25 0.27 0.02 -1.99 -3.06 113.55 109.31 1x43 h SER 52 Ca -0.47 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.28 1x43 h SER 52 Cb 1.25 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 1x43 h SER 52 CO 0.58 0.98 0.00 0.47 -1.14 0.00 0.00 176.83 177.72 1x43 n ASP 53 N -3.68 3.03 -3.70 3.07 8.00 -1.26 -4.78 116.55 117.23 1x43 n ASP 53 Ca -0.03 -2.40 -0.11 0.00 0.71 0.00 0.00 54.79 52.96 1x43 n ASP 53 Cb 0.78 -0.58 -0.10 0.00 -0.02 0.00 0.00 41.12 41.20 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 -1.75 -0.62 0.43 1.24 0.52 -1.15 -3.01 118.94 114.61 1x43 s TRP 54 Ca 0.23 1.33 0.06 0.00 0.02 0.00 0.00 56.10 57.74 1x43 s TRP 54 Cb 0.18 0.28 -0.06 0.00 -1.15 0.00 0.00 33.47 32.71 1x43 s TRP 54 CO 0.07 -0.34 0.02 -0.51 0.02 0.00 0.00 176.95 176.21 1x43 s LEU 55 N 1.22 2.78 -0.59 2.99 1.43 0.54 -4.19 118.68 122.86 1x43 s LEU 55 Ca -0.08 -1.41 -0.20 0.00 -1.03 0.00 0.00 54.13 51.41 1x43 s LEU 55 Cb -0.07 -0.90 0.08 0.00 0.03 0.00 0.00 46.19 45.32 1x43 s LEU 55 CO -0.11 -0.54 0.78 -0.32 0.23 0.00 0.00 176.35 176.38 1x43 s MET 56 N -3.76 3.10 -0.02 1.70 1.75 0.20 -0.18 119.30 122.09 1x43 s MET 56 Ca 0.30 -1.01 -0.09 0.00 -1.25 0.00 0.00 55.69 53.63 1x43 s MET 56 Cb 0.08 -4.20 -0.05 0.00 2.84 0.00 0.00 34.83 33.50 1x43 s MET 56 CO 0.15 -1.54 0.29 0.20 -0.65 0.00 0.00 175.02 173.47 1x43 s GLY 57 N 3.37 2.30 -0.25 2.11 0.00 -0.47 -1.32 107.32 113.08 1x43 s GLY 57 Ca 0.17 -0.46 0.02 0.00 0.00 0.00 0.00 44.72 44.44 1x43 s GLY 57 CO 0.10 -0.20 -0.10 1.85 0.00 0.00 0.00 173.10 174.74 1x43 s GLU 58 N -1.38 2.12 0.02 2.90 2.12 -0.71 -1.95 118.70 121.82 1x43 s GLU 58 Ca 0.24 -1.21 -0.03 0.00 0.36 0.00 0.00 54.97 54.33 1x43 s GLU 58 Cb -0.14 -2.77 -0.02 0.00 0.26 0.00 0.00 34.13 31.46 1x43 s GLU 58 CO 0.12 -0.55 0.03 0.50 -0.54 0.00 0.00 175.26 174.83 1x43 s ARG 59 N 1.20 0.43 -1.19 4.30 3.52 -0.02 -4.02 118.95 123.17 1x43 s ARG 59 Ca -0.07 -0.64 -0.32 0.00 -0.13 0.00 0.00 55.73 54.56 1x43 s ARG 59 Cb -0.19 0.16 0.04 0.00 -1.56 0.00 0.00 34.95 33.40 1x43 s ARG 59 CO -0.06 -0.09 0.69 0.41 -0.81 0.00 0.00 175.30 175.44 1x43 n GLY 60 N 1.27 -0.87 3.56 8.12 0.00 -1.26 0.74 105.19 116.75 1x43 n GLY 60 Ca -0.22 0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1x43 n GLY 60 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x43 n ASN 61 N -2.21 -2.11 -4.15 1.61 5.15 -1.26 -4.89 115.26 107.39 1x43 n ASN 61 Ca -0.12 -0.45 -0.10 0.00 -0.60 0.00 0.00 54.58 53.32 1x43 n ASN 61 Cb 0.57 -1.84 -0.10 0.00 -0.53 0.00 0.00 39.78 37.88 1x43 n ASN 61 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1x43 s GLN 62 N -6.18 0.77 0.02 1.20 -0.21 0.23 -4.85 119.66 110.64 1x43 s GLN 62 Ca 0.45 -1.29 0.02 0.00 0.02 0.00 0.00 55.36 54.56 1x43 s GLN 62 Cb -0.25 -0.11 -0.02 0.00 1.00 0.00 0.00 33.01 33.63 1x43 s GLN 62 CO 0.55 -0.04 -0.06 0.15 -2.12 0.00 0.00 175.29 173.77 1x43 s LYS 63 N -3.77 0.44 0.00 2.91 1.02 -1.26 -0.84 119.74 118.25 1x43 s LYS 63 Ca 0.10 -0.52 -0.01 0.00 0.02 0.00 0.00 55.97 55.57 1x43 s LYS 63 Cb 0.05 -0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.10 1x43 s LYS 63 CO -0.06 0.06 0.04 0.41 -0.92 0.00 0.00 175.35 174.88 1x43 n GLY 64 N 2.05 1.03 3.71 -3.33 0.00 -0.82 -4.83 105.19 102.98 1x43 n GLY 64 Ca -0.19 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.00 4.26 -0.07 1.61 1.02 0.25 -1.36 119.74 123.45 1x43 s LYS 65 Ca 0.01 0.28 0.05 0.00 0.02 0.00 0.00 55.97 56.32 1x43 s LYS 65 Cb -0.00 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.83 1x43 s LYS 65 CO 0.00 0.11 -0.21 0.14 -0.92 0.00 0.00 175.35 174.46 1x43 s VAL 66 N 0.84 2.39 -0.11 3.17 -7.23 0.75 -3.17 120.40 117.04 1x43 s VAL 66 Ca 0.21 -0.94 -0.29 0.00 -1.81 0.00 0.00 61.98 59.15 1x43 s VAL 66 Cb -0.14 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 1x43 s VAL 66 CO 0.08 0.57 1.54 -2.16 -0.31 0.00 0.00 175.10 174.81 1x43 s PRO 67 N -0.18 4.13 0.52 4.82 0.04 -1.26 -0.33 135.00 142.73 1x43 s PRO 67 Ca -0.02 1.95 0.17 0.00 0.04 0.00 0.00 61.00 63.13 1x43 s PRO 67 Cb -0.14 -3.93 1.28 0.00 0.04 0.00 0.00 34.50 31.75 1x43 s PRO 67 CO 0.03 -0.88 2.14 0.82 0.04 0.00 0.00 177.00 179.15 1x43 h ILE 68 N 5.65 0.98 0.00 0.56 5.03 -1.86 -0.56 117.51 127.31 1x43 h ILE 68 Ca -0.35 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.39 1x43 h ILE 68 Cb 1.15 0.99 0.00 0.00 -3.03 0.00 0.00 36.82 35.93 1x43 h ILE 68 CO 0.97 0.00 0.00 0.71 -0.68 0.00 0.00 178.15 179.15 1x43 h THR 69 N 0.00 0.00 0.00 -0.27 1.35 -1.90 -0.11 112.91 111.98 1x43 h THR 69 Ca 0.01 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1x43 h THR 69 Cb 0.04 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 1x43 h THR 69 CO -0.00 0.00 -1.15 -1.22 -0.25 0.00 0.00 175.52 172.90 1x43 n TYR 70 N -2.95 0.00 -4.35 4.73 4.02 -0.23 -4.94 117.16 113.44 1x43 n TYR 70 Ca -0.02 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.53 1x43 n TYR 70 Cb 0.09 -0.11 -0.09 0.00 -0.02 0.00 0.00 39.34 39.20 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 -3.26 3.56 -0.67 7.72 1.43 -0.06 -0.21 118.68 127.19 1x43 s LEU 71 Ca 0.04 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 1x43 s LEU 71 Cb 0.14 -1.89 0.16 0.00 0.03 0.00 0.00 46.19 44.63 1x43 s LEU 71 CO 0.79 0.34 0.45 -0.70 0.23 0.00 0.00 176.35 177.47 1x43 s GLU 72 N -1.13 2.41 -0.67 1.70 2.12 -0.65 -4.85 118.70 117.63 1x43 s GLU 72 Ca 0.16 -3.11 -0.39 0.00 0.36 0.00 0.00 54.97 51.98 1x43 s GLU 72 Cb -0.11 -3.46 -0.20 0.00 0.26 0.00 0.00 34.13 30.62 1x43 s GLU 72 CO 0.05 -1.23 2.34 1.28 -0.54 0.00 0.00 175.26 177.16 1x43 n LEU 73 N 2.38 0.61 -4.56 2.70 4.77 -1.26 -3.54 117.00 118.11 1x43 n LEU 73 Ca 0.15 0.50 -0.31 0.00 -0.03 0.00 0.00 56.01 56.32 1x43 n LEU 73 Cb 0.34 -0.91 -0.04 0.00 -2.33 0.00 0.00 43.42 40.48 1x43 n LEU 73 CO 0.30 -0.76 1.39 -0.76 -1.33 0.00 0.00 177.39 176.24 1x43 s LEU 74 N 7.09 3.24 -0.95 2.23 1.43 -1.20 -4.91 118.68 125.61 1x43 s LEU 74 Ca 1.25 -0.66 -0.23 0.00 -1.03 0.00 0.00 54.13 53.46 1x43 s LEU 74 Cb -1.40 -2.56 0.06 0.00 0.03 0.00 0.00 46.19 42.32 1x43 s LEU 74 CO 0.60 -2.47 1.35 0.54 0.23 0.00 0.00 176.35 176.59 1x43 s ASN 75 N 7.42 6.46 -0.19 2.29 2.20 -1.26 -4.93 114.94 126.93 1x43 s ASN 75 Ca 0.65 -1.39 -0.10 0.00 -0.94 0.00 0.00 52.86 51.08 1x43 s ASN 75 Cb -0.06 -2.53 0.06 0.00 -2.00 0.00 0.00 41.25 36.72 1x43 s ASN 75 CO 0.01 -1.48 0.45 -0.44 -2.94 0.00 0.00 177.10 172.71 1x43 s SER 76 N 4.51 -0.57 0.65 3.54 0.01 -1.26 -5.17 113.70 115.41 1x43 s SER 76 Ca 0.41 0.99 -0.06 0.00 1.31 0.00 0.00 55.95 58.61 1x43 s SER 76 Cb -0.03 0.90 0.04 0.00 0.21 0.00 0.00 66.02 67.14 1x43 s SER 76 CO -0.05 -0.20 0.96 -0.83 0.41 0.00 0.00 173.24 173.52 1x43 s GLY 77 N 1.51 1.66 1.21 3.44 0.00 -1.26 -5.08 107.32 108.79 1x43 s GLY 77 Ca -0.09 -0.85 -0.19 0.00 0.00 0.00 0.00 44.72 43.59 1x43 s GLY 77 CO -0.14 -0.50 1.11 2.56 0.00 0.00 0.00 173.10 176.13 1x43 s PRO 78 N -5.12 -1.27 -0.58 2.90 0.04 -1.26 -5.02 135.00 124.69 1x43 s PRO 78 Ca 0.57 -0.08 0.02 0.00 0.04 0.00 0.00 61.00 61.56 1x43 s PRO 78 Cb -0.11 -1.59 0.14 0.00 0.04 0.00 0.00 34.50 32.99 1x43 s PRO 78 CO 0.45 -3.74 0.34 0.45 0.04 0.00 0.00 177.00 174.54 1x43 s SER 79 N -3.90 4.63 -0.39 6.66 0.15 -1.26 -5.06 113.70 114.53 1x43 s SER 79 Ca 0.71 -3.09 -0.40 0.00 0.70 0.00 0.00 55.95 53.87 1x43 s SER 79 Cb -0.09 -1.70 -0.15 0.00 -1.71 0.00 0.00 66.02 62.36 1x43 s SER 79 CO 0.56 -0.24 2.05 -1.20 1.20 0.00 0.00 173.24 175.60 1x43 n SER 80 N 3.04 1.70 0.00 5.45 7.64 -1.26 -5.39 113.62 124.81 1x43 n SER 80 Ca 0.08 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.63 1x43 n SER 80 Cb 0.34 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 1x43 n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64