#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 -0.68 -0.10 1.61 0.01 -1.26 -5.16 113.70 108.12 1x43 s SER 2 Ca 0.00 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.32 1x43 s SER 2 Cb 0.00 0.99 -0.02 0.00 0.21 0.00 0.00 66.02 67.20 1x43 s SER 2 CO 0.00 -0.42 -0.11 -0.55 0.41 0.00 0.00 173.24 172.58 1x43 s SER 3 N -0.39 4.26 0.23 2.44 0.15 -1.26 -5.12 113.70 114.00 1x43 s SER 3 Ca -0.05 -0.21 0.06 0.00 0.70 0.00 0.00 55.95 56.45 1x43 s SER 3 Cb -0.03 -1.37 -0.04 0.00 -1.71 0.00 0.00 66.02 62.88 1x43 s SER 3 CO 0.05 0.25 0.21 -0.83 1.20 0.00 0.00 173.24 174.12 1x43 s GLY 4 N -0.13 1.46 -0.01 9.45 0.00 -1.26 -5.13 107.32 111.71 1x43 s GLY 4 Ca -0.00 -1.33 0.02 0.00 0.00 0.00 0.00 44.72 43.41 1x43 s GLY 4 CO 0.03 -1.36 -0.08 -0.56 0.00 0.00 0.00 173.10 171.13 1x43 s SER 5 N -3.67 1.00 -0.06 1.64 0.01 -1.26 -5.14 113.70 106.22 1x43 s SER 5 Ca 0.33 -0.15 -0.01 0.00 1.31 0.00 0.00 55.95 57.42 1x43 s SER 5 Cb -0.09 -0.14 0.03 0.00 0.21 0.00 0.00 66.02 66.03 1x43 s SER 5 CO 0.25 0.09 0.01 -0.94 0.41 0.00 0.00 173.24 173.07 1x43 s SER 6 N -0.11 1.43 0.00 2.44 1.04 -1.26 -5.12 113.70 112.12 1x43 s SER 6 Ca 0.02 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1x43 s SER 6 Cb -0.04 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 65.71 1x43 s SER 6 CO -0.00 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1x43 n GLY 7 N 5.11 0.32 3.79 7.32 0.00 -1.26 -5.16 105.19 115.30 1x43 n GLY 7 Ca -0.07 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 1x43 n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x43 s LEU 8 N 0.00 1.89 0.15 0.99 1.43 -1.26 -4.96 118.68 116.93 1x43 s LEU 8 Ca 0.00 0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 53.55 1x43 s LEU 8 Cb 0.00 -2.68 0.06 0.00 0.03 0.00 0.00 46.19 43.60 1x43 s LEU 8 CO 0.00 -3.05 1.72 0.78 0.23 0.00 0.00 176.35 176.03 1x43 h ASN 9 N -1.85 -0.08 -3.02 2.29 4.21 -2.06 -3.40 115.58 111.67 1x43 h ASN 9 Ca -0.47 0.07 -0.62 0.00 1.21 0.00 0.00 56.30 56.49 1x43 h ASN 9 Cb 1.29 0.11 -0.07 0.00 -1.12 0.00 0.00 38.32 38.53 1x43 h ASN 9 CO 0.46 -0.01 -0.30 1.51 -1.29 0.00 0.00 177.43 177.80 1x43 s ASP 10 N -5.27 6.60 0.16 5.81 -4.77 -1.26 -5.09 116.67 112.85 1x43 s ASP 10 Ca -0.13 0.72 0.11 0.00 -3.30 0.00 0.00 52.55 49.95 1x43 s ASP 10 Cb 0.12 -2.19 -0.04 0.00 -1.09 0.00 0.00 42.92 39.72 1x43 s ASP 10 CO 0.70 0.27 -0.25 -0.76 0.70 0.00 0.00 175.17 175.83 1x43 s LEU 11 N -0.57 2.39 -0.14 2.11 1.43 -1.26 -5.11 118.68 117.54 1x43 s LEU 11 Ca 0.20 -0.80 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 1x43 s LEU 11 Cb -0.15 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 44.87 1x43 s LEU 11 CO 0.08 0.15 -0.20 -0.54 0.23 0.00 0.00 176.35 176.07 1x43 s LYS 12 N -2.36 3.07 -0.07 1.70 1.02 -1.26 -5.10 119.74 116.74 1x43 s LYS 12 Ca 0.17 -0.83 -0.03 0.00 0.02 0.00 0.00 55.97 55.31 1x43 s LYS 12 Cb -0.09 -2.47 0.04 0.00 -0.52 0.00 0.00 37.83 34.79 1x43 s LYS 12 CO 0.08 0.01 0.08 -2.00 -0.92 0.00 0.00 175.35 172.61 1x43 s GLU 13 N 0.77 -0.03 -0.24 1.68 -6.30 -1.26 -5.11 118.70 108.20 1x43 s GLU 13 Ca -0.08 0.34 -0.03 0.00 -2.50 0.00 0.00 54.97 52.70 1x43 s GLU 13 Cb -0.16 -0.67 0.11 0.00 0.00 0.00 0.00 34.13 33.41 1x43 s GLU 13 CO -0.00 -0.38 0.24 -1.12 0.02 0.00 0.00 175.26 174.01 1x43 s SER 14 N 2.19 1.62 0.03 -1.70 0.01 -1.26 -5.14 113.70 109.45 1x43 s SER 14 Ca 0.04 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 56.87 1x43 s SER 14 Cb -0.13 0.37 -0.02 0.00 0.21 0.00 0.00 66.02 66.46 1x43 s SER 14 CO -0.05 -0.35 -0.07 -0.55 0.41 0.00 0.00 173.24 172.63 1x43 s SER 15 N 2.32 0.81 -0.90 2.44 0.15 -1.26 -5.08 113.70 112.18 1x43 s SER 15 Ca 0.08 -0.43 -0.24 0.00 0.70 0.00 0.00 55.95 56.06 1x43 s SER 15 Cb -0.15 0.01 -0.00 0.00 -1.71 0.00 0.00 66.02 64.16 1x43 s SER 15 CO -0.20 -0.13 1.69 0.20 1.20 0.00 0.00 173.24 176.00 1x43 s ASN 16 N -1.18 5.75 0.18 5.45 0.01 -1.26 -4.94 114.94 118.95 1x43 s ASN 16 Ca -0.07 -0.82 0.08 0.00 -0.71 0.00 0.00 52.86 51.35 1x43 s ASN 16 Cb -0.08 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 1x43 s ASN 16 CO 0.00 -2.16 -0.16 0.54 -1.51 0.00 0.00 177.10 173.81 1x43 s ASN 17 N 6.50 2.60 0.27 -1.22 4.22 -1.26 -5.06 114.94 120.98 1x43 s ASN 17 Ca 0.57 -0.93 0.02 0.00 -2.14 0.00 0.00 52.86 50.38 1x43 s ASN 17 Cb -0.05 -0.14 -0.03 0.00 1.28 0.00 0.00 41.25 42.30 1x43 s ASN 17 CO -0.00 -0.10 0.43 -0.13 -2.04 0.00 0.00 177.10 175.26 1x43 s ARG 18 N -3.19 3.47 -0.01 3.55 0.52 -0.19 -4.95 118.95 118.15 1x43 s ARG 18 Ca 0.19 -0.53 0.05 0.00 -0.52 0.00 0.00 55.73 54.92 1x43 s ARG 18 Cb -0.03 -2.80 -0.01 0.00 0.52 0.00 0.00 34.95 32.62 1x43 s ARG 18 CO 0.07 0.33 -0.16 0.15 0.02 0.00 0.00 175.30 175.70 1x43 s LYS 19 N -3.96 1.27 0.02 3.54 -0.14 -1.26 -0.26 119.74 118.95 1x43 s LYS 19 Ca 0.37 -0.58 -0.12 0.00 -1.36 0.00 0.00 55.97 54.28 1x43 s LYS 19 Cb -0.10 -1.24 0.01 0.00 -1.68 0.00 0.00 37.83 34.83 1x43 s LYS 19 CO 0.32 0.34 0.25 0.00 -0.76 0.00 0.00 175.35 175.49 1x43 s ALA 20 N -0.40 -0.55 -0.18 5.17 0.00 -1.20 -3.61 121.76 121.00 1x43 s ALA 20 Ca 0.06 -0.03 -0.10 0.00 0.00 0.00 0.00 51.96 51.89 1x43 s ALA 20 Cb -0.06 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 1x43 s ALA 20 CO -0.00 -0.33 0.15 0.50 0.00 0.00 0.00 175.76 176.08 1x43 s ARG 21 N -2.09 4.06 0.26 0.00 3.52 -1.23 -2.80 118.95 120.67 1x43 s ARG 21 Ca -0.08 -0.17 -0.29 0.00 -0.13 0.00 0.00 55.73 55.05 1x43 s ARG 21 Cb -0.03 -3.38 -0.09 0.00 -1.56 0.00 0.00 34.95 29.89 1x43 s ARG 21 CO -0.01 0.38 1.18 0.08 -0.81 0.00 0.00 175.30 176.12 1x43 s VAL 22 N 0.11 3.34 -0.13 7.11 1.01 0.94 -1.90 120.40 130.87 1x43 s VAL 22 Ca 0.10 1.27 0.16 0.00 0.00 0.00 0.00 61.98 63.51 1x43 s VAL 22 Cb -0.11 -3.81 -0.24 0.00 0.00 0.00 0.00 36.38 32.22 1x43 s VAL 22 CO -0.00 0.27 0.36 0.18 0.00 0.00 0.00 175.10 175.91 1x43 n LEU 23 N 1.54 0.37 -3.75 3.92 4.77 0.44 -2.65 117.00 121.64 1x43 n LEU 23 Ca 0.01 0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 56.03 1x43 n LEU 23 Cb 0.44 0.32 -0.10 0.00 -2.33 0.00 0.00 43.42 41.75 1x43 n LEU 23 CO 0.56 0.40 0.04 -0.31 -1.33 0.00 0.00 177.39 176.75 1x43 s TYR 24 N -2.62 -0.39 -0.04 -1.77 1.51 -1.26 -4.73 117.35 108.05 1x43 s TYR 24 Ca -0.07 0.92 -0.30 0.00 -1.01 0.00 0.00 57.07 56.61 1x43 s TYR 24 Cb 0.07 0.14 -0.06 0.00 -0.11 0.00 0.00 41.96 42.00 1x43 s TYR 24 CO 0.83 -0.22 1.76 0.16 -1.11 0.00 0.00 175.55 176.98 1x43 s ASP 25 N 0.03 6.55 -0.10 2.29 -4.77 -1.26 -4.54 116.67 114.87 1x43 s ASP 25 Ca -0.01 2.33 -0.04 0.00 -3.30 0.00 0.00 52.55 51.52 1x43 s ASP 25 Cb -0.03 -2.53 -0.04 0.00 -1.09 0.00 0.00 42.92 39.23 1x43 s ASP 25 CO 0.01 -1.01 0.06 -0.47 0.70 0.00 0.00 175.17 174.45 1x43 s TYR 26 N 4.35 3.33 -0.46 2.11 5.04 0.18 -4.89 117.35 127.01 1x43 s TYR 26 Ca 0.79 0.32 -0.12 0.00 -2.44 0.00 0.00 57.07 55.62 1x43 s TYR 26 Cb -0.36 -1.86 0.09 0.00 0.35 0.00 0.00 41.96 40.19 1x43 s TYR 26 CO 0.33 0.56 0.34 0.16 -1.34 0.00 0.00 175.55 175.60 1x43 s ASP 27 N -0.89 5.84 0.04 4.32 -4.77 -1.26 0.10 116.67 120.05 1x43 s ASP 27 Ca 0.13 -1.58 -0.38 0.00 -3.30 0.00 0.00 52.55 47.42 1x43 s ASP 27 Cb -0.12 -2.07 -0.17 0.00 -1.09 0.00 0.00 42.92 39.48 1x43 s ASP 27 CO 0.03 -0.64 1.35 0.00 0.70 0.00 0.00 175.17 176.61 1x43 n ALA 28 N 5.03 -1.22 0.08 2.11 0.00 -1.26 -4.86 120.51 120.38 1x43 n ALA 28 Ca -0.11 0.52 -0.01 0.00 0.00 0.00 0.00 53.44 53.84 1x43 n ALA 28 Cb 0.42 -2.05 -0.05 0.00 0.00 0.00 0.00 19.45 17.78 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 4.62 0.61 -2.66 0.00 0.00 -1.92 -3.48 119.26 116.43 1x43 h ALA 29 Ca -0.48 -0.73 -0.09 0.00 0.00 0.00 0.00 54.91 53.61 1x43 h ALA 29 Cb 1.35 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 19.06 1x43 h ALA 29 CO 0.78 0.90 -0.29 0.54 0.00 0.00 0.00 179.25 181.19 1x43 s ASN 30 N -6.30 0.01 0.14 0.00 6.03 -1.26 -5.04 114.94 108.52 1x43 s ASN 30 Ca 0.01 -0.82 -0.32 0.00 -1.03 0.00 0.00 52.86 50.70 1x43 s ASN 30 Cb 0.08 0.45 -0.09 0.00 -3.03 0.00 0.00 41.25 38.66 1x43 s ASN 30 CO 0.78 -0.90 1.55 0.28 -2.03 0.00 0.00 177.10 176.78 1x43 h SER 31 N 2.52 -1.83 -1.66 3.54 0.02 -1.99 0.31 113.55 114.46 1x43 h SER 31 Ca -0.32 0.25 0.52 0.00 -0.84 0.00 0.00 61.79 61.41 1x43 h SER 31 Cb 1.23 0.76 -0.11 0.00 0.14 0.00 0.00 62.40 64.42 1x43 h SER 31 CO 0.48 -0.39 1.14 0.35 -1.14 0.00 0.00 176.83 177.26 1x43 n THR 32 N -5.38 -0.14 -3.42 -2.27 -2.24 -1.26 -4.30 114.28 95.27 1x43 n THR 32 Ca -0.03 1.67 -0.30 0.00 -2.27 0.00 0.00 64.05 63.12 1x43 n THR 32 Cb 0.34 -2.75 -0.04 0.00 -2.10 0.00 0.00 70.33 65.78 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 -5.07 3.65 0.09 -0.78 2.02 0.11 0.50 118.70 119.23 1x43 s GLU 33 Ca -0.06 0.02 0.09 0.00 0.02 0.00 0.00 54.97 55.04 1x43 s GLU 33 Cb 0.29 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.80 1x43 s GLU 33 CO 0.86 0.28 -0.22 -0.51 0.02 0.00 0.00 175.26 175.69 1x43 s LEU 34 N -3.27 2.49 0.20 1.80 1.43 -1.14 -4.68 118.68 115.51 1x43 s LEU 34 Ca 0.44 -0.59 -0.30 0.00 -1.03 0.00 0.00 54.13 52.65 1x43 s LEU 34 Cb -0.11 -1.41 -0.08 0.00 0.03 0.00 0.00 46.19 44.62 1x43 s LEU 34 CO 0.27 0.21 0.93 -0.94 0.23 0.00 0.00 176.35 177.05 1x43 s SER 35 N -1.83 7.59 0.12 2.29 1.04 -1.26 -4.14 113.70 117.50 1x43 s SER 35 Ca 0.15 1.88 0.10 0.00 0.48 0.00 0.00 55.95 58.56 1x43 s SER 35 Cb -0.10 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.38 1x43 s SER 35 CO 0.07 0.11 -0.22 -0.76 0.98 0.00 0.00 173.24 173.42 1x43 s LEU 36 N -0.90 2.52 0.18 2.42 1.43 0.11 -4.91 118.68 119.53 1x43 s LEU 36 Ca 0.42 -0.64 0.09 0.00 -1.03 0.00 0.00 54.13 52.98 1x43 s LEU 36 Cb -0.25 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 1x43 s LEU 36 CO 0.31 0.18 -0.13 -0.76 0.23 0.00 0.00 176.35 176.18 1x43 s LEU 37 N -2.05 2.83 0.04 1.79 1.43 -1.26 0.48 118.68 121.95 1x43 s LEU 37 Ca 0.16 -0.64 -0.30 0.00 -1.03 0.00 0.00 54.13 52.32 1x43 s LEU 37 Cb -0.10 -1.54 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 1x43 s LEU 37 CO 0.08 0.11 1.20 0.00 0.23 0.00 0.00 176.35 177.97 1x43 s ALA 38 N -1.65 3.40 -0.36 4.21 0.00 -1.26 -3.26 121.76 122.84 1x43 s ALA 38 Ca 0.23 0.82 -0.02 0.00 0.00 0.00 0.00 51.96 52.99 1x43 s ALA 38 Cb -0.09 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1x43 s ALA 38 CO 0.14 -0.48 0.25 -0.25 0.00 0.00 0.00 175.76 175.41 1x43 n ASP 39 N 4.12 -2.96 -4.03 0.00 8.00 -1.09 -4.95 116.55 115.65 1x43 n ASP 39 Ca 0.09 -0.11 -0.23 0.00 0.71 0.00 0.00 54.79 55.25 1x43 n ASP 39 Cb 0.46 -1.64 -0.16 0.00 -0.02 0.00 0.00 41.12 39.76 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 -5.15 1.31 -0.26 -1.24 -1.05 -1.20 -4.92 118.70 106.18 1x43 s GLU 40 Ca 0.12 -0.39 -0.05 0.00 -0.15 0.00 0.00 54.97 54.50 1x43 s GLU 40 Cb -0.05 -1.16 0.00 0.00 -0.44 0.00 0.00 34.13 32.48 1x43 s GLU 40 CO 0.15 0.12 0.02 0.08 0.95 0.00 0.00 175.26 176.57 1x43 s VAL 41 N 0.30 3.61 0.50 1.83 1.01 -1.26 -0.04 120.40 126.34 1x43 s VAL 41 Ca -0.06 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.29 1x43 s VAL 41 Cb -0.11 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 1x43 s VAL 41 CO 0.02 0.22 0.14 0.27 0.00 0.00 0.00 175.10 175.74 1x43 s ILE 42 N 1.47 1.52 -0.23 2.22 -4.36 -1.12 -4.93 121.20 115.76 1x43 s ILE 42 Ca 0.03 -1.82 -0.23 0.00 -0.26 0.00 0.00 60.65 58.37 1x43 s ILE 42 Cb -0.16 -2.34 -0.01 0.00 1.25 0.00 0.00 42.46 41.20 1x43 s ILE 42 CO -0.00 0.00 0.77 -0.89 0.24 0.00 0.00 174.94 175.05 1x43 s THR 43 N -2.80 4.89 0.05 8.37 2.01 -1.26 -3.21 115.64 123.70 1x43 s THR 43 Ca 0.21 1.44 0.09 0.00 0.31 0.00 0.00 61.69 63.74 1x43 s THR 43 Cb 0.02 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 1x43 s THR 43 CO 0.12 -0.02 -0.24 0.68 -0.69 0.00 0.00 174.62 174.47 1x43 s VAL 44 N 2.60 2.35 -0.27 3.82 -7.23 0.64 -1.65 120.40 120.66 1x43 s VAL 44 Ca 0.33 -1.37 -0.24 0.00 -1.81 0.00 0.00 61.98 58.88 1x43 s VAL 44 Cb -0.15 -1.95 0.07 0.00 0.56 0.00 0.00 36.38 34.90 1x43 s VAL 44 CO 0.08 0.33 0.71 0.72 -0.31 0.00 0.00 175.10 176.63 1x43 s PHE 45 N -0.87 -0.79 0.29 2.82 -0.71 -0.54 -1.02 117.98 117.16 1x43 s PHE 45 Ca 0.13 1.91 -0.25 0.00 -1.04 0.00 0.00 56.93 57.68 1x43 s PHE 45 Cb -0.10 0.27 -0.09 0.00 -1.21 0.00 0.00 43.02 41.89 1x43 s PHE 45 CO 0.03 -0.38 0.89 -1.12 -1.34 0.00 0.00 175.22 173.31 1x43 s SER 46 N 0.40 7.29 -0.00 1.98 0.01 -1.26 0.63 113.70 122.75 1x43 s SER 46 Ca -0.00 1.74 0.06 0.00 1.31 0.00 0.00 55.95 59.06 1x43 s SER 46 Cb -0.05 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 1x43 s SER 46 CO 0.01 -0.03 -0.20 -0.69 0.41 0.00 0.00 173.24 172.74 1x43 s VAL 47 N -1.57 1.55 0.02 3.43 1.01 -1.26 -4.94 120.40 118.64 1x43 s VAL 47 Ca 0.48 -0.92 -0.34 0.00 0.00 0.00 0.00 61.98 61.20 1x43 s VAL 47 Cb -0.18 -1.31 -0.17 0.00 0.00 0.00 0.00 36.38 34.72 1x43 s VAL 47 CO 0.23 0.37 0.89 0.52 0.00 0.00 0.00 175.10 177.12 1x43 n VAL 48 N 2.41 0.19 0.00 2.92 0.31 -1.26 0.66 118.33 123.55 1x43 n VAL 48 Ca -0.16 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1x43 n VAL 48 Cb 0.53 0.00 0.00 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 1.37 1.35 2.68 2.92 0.00 -1.26 -4.98 105.19 107.26 1x43 n GLY 49 Ca 0.17 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 -2.66 1.61 0.00 0.21 -4.88 117.12 111.40 1x43 n MET 50 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.37 1x43 n MET 50 Cb 0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 33.22 32.35 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 -0.81 6.69 0.53 6.12 1.11 -1.26 -4.89 116.67 124.15 1x43 s ASP 51 Ca 0.48 1.75 0.35 0.00 0.18 0.00 0.00 52.55 55.30 1x43 s ASP 51 Cb -0.50 -2.54 1.59 0.00 1.07 0.00 0.00 42.92 42.54 1x43 s ASP 51 CO 0.52 -0.54 2.03 0.77 1.18 0.00 0.00 175.17 179.13 1x43 h SER 52 N 1.64 0.00 -0.58 0.27 4.64 -1.99 -1.56 113.55 115.97 1x43 h SER 52 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1x43 h SER 52 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1x43 h SER 52 CO 0.60 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.03 1x43 n ASP 53 N -2.92 4.64 -3.69 4.97 9.92 -1.26 -4.82 116.55 123.39 1x43 n ASP 53 Ca -0.00 -2.52 -0.10 0.00 -0.53 0.00 0.00 54.79 51.64 1x43 n ASP 53 Cb 0.22 -0.59 -0.10 0.00 -0.64 0.00 0.00 41.12 40.01 1x43 n ASP 53 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1x43 s TRP 54 N -2.02 -0.65 0.43 1.24 0.52 -0.59 -2.97 118.94 114.90 1x43 s TRP 54 Ca 0.48 1.37 0.06 0.00 0.02 0.00 0.00 56.10 58.03 1x43 s TRP 54 Cb 0.32 0.30 -0.06 0.00 -1.15 0.00 0.00 33.47 32.88 1x43 s TRP 54 CO 0.21 -0.37 0.08 -0.51 0.02 0.00 0.00 176.95 176.38 1x43 s LEU 55 N 1.49 2.87 -0.57 2.99 1.43 0.46 -4.14 118.68 123.20 1x43 s LEU 55 Ca -0.09 -1.31 -0.21 0.00 -1.03 0.00 0.00 54.13 51.49 1x43 s LEU 55 Cb -0.08 -1.06 0.07 0.00 0.03 0.00 0.00 46.19 45.14 1x43 s LEU 55 CO -0.13 -0.56 0.80 -0.32 0.23 0.00 0.00 176.35 176.37 1x43 s MET 56 N -3.82 3.15 -0.04 1.70 1.75 0.20 -0.44 119.30 121.81 1x43 s MET 56 Ca 0.33 -0.82 -0.09 0.00 -1.25 0.00 0.00 55.69 53.86 1x43 s MET 56 Cb 0.06 -4.16 -0.05 0.00 2.84 0.00 0.00 34.83 33.53 1x43 s MET 56 CO 0.18 -1.50 0.26 0.20 -0.65 0.00 0.00 175.02 173.50 1x43 s GLY 57 N 3.17 2.28 -0.23 2.11 0.00 -0.53 -1.47 107.32 112.65 1x43 s GLY 57 Ca 0.20 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.42 1x43 s GLY 57 CO 0.12 -0.23 -0.05 1.85 0.00 0.00 0.00 173.10 174.79 1x43 s GLU 58 N -1.30 1.54 0.03 2.90 2.12 -0.66 -2.22 118.70 121.10 1x43 s GLU 58 Ca 0.22 -0.91 -0.06 0.00 0.36 0.00 0.00 54.97 54.58 1x43 s GLU 58 Cb -0.14 -2.51 -0.01 0.00 0.26 0.00 0.00 34.13 31.73 1x43 s GLU 58 CO 0.11 -0.59 0.11 0.50 -0.54 0.00 0.00 175.26 174.84 1x43 s ARG 59 N 1.45 0.55 -1.44 4.30 3.52 -1.11 -3.98 118.95 122.24 1x43 s ARG 59 Ca -0.05 -0.64 -0.01 0.00 -0.13 0.00 0.00 55.73 54.90 1x43 s ARG 59 Cb -0.18 0.22 0.01 0.00 -1.56 0.00 0.00 34.95 33.44 1x43 s ARG 59 CO -0.06 -0.14 0.40 0.41 -0.81 0.00 0.00 175.30 175.10 1x43 n GLY 60 N 1.00 -0.23 2.34 8.12 0.00 -1.26 0.47 105.19 115.63 1x43 n GLY 60 Ca -0.20 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.95 -3.47 -4.60 1.61 3.02 -1.26 -4.92 115.26 102.69 1x43 n ASN 61 Ca -0.29 0.24 -0.31 0.00 -0.03 0.00 0.00 54.58 54.19 1x43 n ASN 61 Cb 0.67 -3.02 -0.08 0.00 -0.61 0.00 0.00 39.78 36.74 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 -4.65 2.13 -0.06 3.52 -0.21 0.18 -5.17 119.66 115.40 1x43 s GLN 62 Ca 0.00 -2.34 -0.15 0.00 0.02 0.00 0.00 55.36 52.89 1x43 s GLN 62 Cb 0.00 -1.31 0.03 0.00 1.00 0.00 0.00 33.01 32.73 1x43 s GLN 62 CO 0.00 -0.38 0.36 0.15 -2.12 0.00 0.00 175.29 173.29 1x43 s LYS 63 N -3.83 0.60 -0.02 2.91 -0.14 -1.26 -2.75 119.74 115.26 1x43 s LYS 63 Ca 0.11 0.10 -0.09 0.00 -1.36 0.00 0.00 55.97 54.73 1x43 s LYS 63 Cb 0.02 0.28 0.03 0.00 -1.68 0.00 0.00 37.83 36.48 1x43 s LYS 63 CO 0.06 -0.14 0.41 0.41 -0.76 0.00 0.00 175.35 175.33 1x43 n GLY 64 N 1.85 0.42 3.78 -3.33 0.00 -0.94 -4.80 105.19 102.17 1x43 n GLY 64 Ca -0.18 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 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 4.09 -0.08 1.61 1.02 0.18 -1.45 119.74 123.11 1x43 s LYS 65 Ca 0.10 0.36 0.04 0.00 0.02 0.00 0.00 55.97 56.49 1x43 s LYS 65 Cb -0.00 -3.32 -0.00 0.00 -0.52 0.00 0.00 37.83 33.99 1x43 s LYS 65 CO -0.01 0.46 -0.22 0.14 -0.92 0.00 0.00 175.35 174.81 1x43 s VAL 66 N -0.32 1.83 -0.12 3.17 -7.23 0.42 -2.90 120.40 115.25 1x43 s VAL 66 Ca 0.23 -0.91 -0.29 0.00 -1.81 0.00 0.00 61.98 59.20 1x43 s VAL 66 Cb -0.16 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 1x43 s VAL 66 CO 0.11 0.51 1.54 -2.16 -0.31 0.00 0.00 175.10 174.78 1x43 s PRO 67 N 0.21 4.12 0.43 4.82 0.04 -1.26 -0.40 135.00 142.97 1x43 s PRO 67 Ca -0.12 1.94 0.10 0.00 0.04 0.00 0.00 61.00 62.96 1x43 s PRO 67 Cb -0.16 -3.93 0.97 0.00 0.04 0.00 0.00 34.50 31.42 1x43 s PRO 67 CO 0.06 -0.89 2.06 0.82 0.04 0.00 0.00 177.00 179.09 1x43 h ILE 68 N 5.66 1.04 -0.02 0.56 5.03 -1.85 -0.67 117.51 127.25 1x43 h ILE 68 Ca -0.35 -0.15 0.01 0.00 -0.12 0.00 0.00 64.86 64.25 1x43 h ILE 68 Cb 1.15 0.57 -0.00 0.00 -3.03 0.00 0.00 36.82 35.51 1x43 h ILE 68 CO 0.97 0.08 0.14 0.71 -0.68 0.00 0.00 178.15 179.36 1x43 h THR 69 N 0.43 0.08 0.00 -0.27 1.35 -1.90 0.21 112.91 112.81 1x43 h THR 69 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.01 1x43 h THR 69 Cb 0.08 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 1x43 h THR 69 CO -0.04 0.00 -1.31 -1.22 -0.25 0.00 0.00 175.52 172.70 1x43 n TYR 70 N -3.14 0.00 -4.04 4.73 4.02 -0.27 -4.95 117.16 113.51 1x43 n TYR 70 Ca -0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.57 1x43 n TYR 70 Cb 0.21 -0.16 -0.06 0.00 -0.02 0.00 0.00 39.34 39.30 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 -3.48 3.85 -0.52 7.72 1.43 0.74 -0.42 118.68 128.00 1x43 s LEU 71 Ca 0.03 0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 1x43 s LEU 71 Cb 0.15 -2.52 0.16 0.00 0.03 0.00 0.00 46.19 44.01 1x43 s LEU 71 CO 0.88 0.17 0.36 -0.70 0.23 0.00 0.00 176.35 177.30 1x43 s GLU 72 N -2.41 1.57 -0.42 1.70 2.12 -0.80 -4.87 118.70 115.59 1x43 s GLU 72 Ca 0.30 -2.51 -0.43 0.00 0.36 0.00 0.00 54.97 52.69 1x43 s GLU 72 Cb -0.12 -2.41 -0.17 0.00 0.26 0.00 0.00 34.13 31.69 1x43 s GLU 72 CO 0.23 -1.28 1.88 1.28 -0.54 0.00 0.00 175.26 176.82 1x43 n LEU 73 N 2.75 1.51 -1.96 2.70 4.77 -1.26 -3.56 117.00 121.95 1x43 n LEU 73 Ca 0.20 0.90 -0.11 0.00 -0.03 0.00 0.00 56.01 56.97 1x43 n LEU 73 Cb 0.39 -1.01 -0.14 0.00 -2.33 0.00 0.00 43.42 40.33 1x43 n LEU 73 CO 0.20 -0.70 1.54 0.18 -1.33 0.00 0.00 177.39 177.28 1x43 n LEU 74 N 6.19 5.30 -4.78 2.23 4.77 -1.24 -4.92 117.00 124.56 1x43 n LEU 74 Ca 0.38 -3.12 -0.30 0.00 -0.03 0.00 0.00 56.01 52.94 1x43 n LEU 74 Cb 0.03 -1.38 0.09 0.00 -2.33 0.00 0.00 43.42 39.84 1x43 n LEU 74 CO 0.85 1.62 0.70 0.20 -1.33 0.00 0.00 177.39 179.43 1x43 s ASN 75 N 1.93 4.41 0.08 -1.43 -0.87 -1.26 -5.00 114.94 112.80 1x43 s ASN 75 Ca 0.59 1.47 -0.30 0.00 -1.57 0.00 0.00 52.86 53.04 1x43 s ASN 75 Cb 0.28 -2.21 -0.05 0.00 -0.02 0.00 0.00 41.25 39.25 1x43 s ASN 75 CO -0.01 -2.04 0.99 -0.94 -2.57 0.00 0.00 177.10 172.53 1x43 s SER 76 N -3.71 7.42 0.00 -1.22 1.04 -1.26 -4.97 113.70 111.00 1x43 s SER 76 Ca 0.61 1.79 0.00 0.00 0.48 0.00 0.00 55.95 58.82 1x43 s SER 76 Cb -0.15 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1x43 s SER 76 CO 0.55 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.22 1x43 n GLY 77 N 2.49 4.21 3.60 7.32 0.00 -1.26 -5.16 105.19 116.39 1x43 n GLY 77 Ca 0.04 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 1x43 n GLY 77 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x43 s PRO 78 N -2.81 -1.07 -0.20 1.61 0.04 -1.26 -5.04 135.00 126.26 1x43 s PRO 78 Ca 0.00 -0.01 -0.09 0.00 0.04 0.00 0.00 61.00 60.94 1x43 s PRO 78 Cb 0.00 -1.61 -0.09 0.00 0.04 0.00 0.00 34.50 32.84 1x43 s PRO 78 CO 0.00 -3.62 -0.26 -1.13 0.04 0.00 0.00 177.00 172.03 1x43 n SER 79 N -4.71 1.51 -4.37 6.66 3.41 -1.26 -5.02 113.62 109.84 1x43 n SER 79 Ca 0.12 0.22 -0.38 0.00 -0.26 0.00 0.00 58.87 58.57 1x43 n SER 79 Cb 0.59 -0.58 0.03 0.00 -0.26 0.00 0.00 64.21 64.00 1x43 n SER 79 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x43 n SER 80 N -3.85 -2.22 0.00 4.04 2.88 -1.26 -5.36 113.62 107.85 1x43 n SER 80 Ca -0.40 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1x43 n SER 80 Cb 0.79 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 1x43 n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42