#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 7.00 0.64 1.61 0.15 -1.26 -5.08 113.70 116.77 1x43 s SER 2 Ca 0.00 1.19 -0.07 0.00 0.70 0.00 0.00 55.95 57.77 1x43 s SER 2 Cb 0.00 -2.35 0.02 0.00 -1.71 0.00 0.00 66.02 61.98 1x43 s SER 2 CO 0.00 0.20 0.97 -0.94 1.20 0.00 0.00 173.24 174.67 1x43 s SER 3 N -0.68 5.37 0.88 5.45 1.04 -1.26 -5.03 113.70 119.47 1x43 s SER 3 Ca 0.29 0.73 -0.14 0.00 0.48 0.00 0.00 55.95 57.32 1x43 s SER 3 Cb -0.19 -1.60 0.02 0.00 0.10 0.00 0.00 66.02 64.35 1x43 s SER 3 CO 0.18 -1.25 0.52 0.61 0.98 0.00 0.00 173.24 174.27 1x43 n GLY 4 N -2.75 -1.69 3.48 7.32 0.00 -1.26 -5.03 105.19 105.25 1x43 n GLY 4 Ca 0.06 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.89 -0.59 0.14 1.61 0.15 -1.26 -5.15 113.70 106.71 1x43 s SER 5 Ca 0.61 1.08 -0.29 0.00 0.70 0.00 0.00 55.95 58.04 1x43 s SER 5 Cb -0.25 1.09 -0.07 0.00 -1.71 0.00 0.00 66.02 65.08 1x43 s SER 5 CO 0.63 -0.25 0.93 -0.94 1.20 0.00 0.00 173.24 174.82 1x43 s SER 6 N 0.10 7.51 0.11 5.45 1.04 -1.26 -5.06 113.70 121.59 1x43 s SER 6 Ca -0.02 1.80 0.04 0.00 0.48 0.00 0.00 55.95 58.26 1x43 s SER 6 Cb -0.04 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 1x43 s SER 6 CO 0.02 0.01 -0.10 -0.83 0.98 0.00 0.00 173.24 173.32 1x43 s GLY 7 N -0.37 0.90 -0.02 7.32 0.00 -1.26 -5.16 107.32 108.73 1x43 s GLY 7 Ca 0.44 -1.25 0.03 0.00 0.00 0.00 0.00 44.72 43.94 1x43 s GLY 7 CO 0.30 -1.33 -0.12 1.08 0.00 0.00 0.00 173.10 173.03 1x43 s LEU 8 N -2.59 1.93 -0.48 0.66 1.43 -1.26 -5.08 118.68 113.29 1x43 s LEU 8 Ca 0.08 -0.23 -0.29 0.00 -1.03 0.00 0.00 54.13 52.66 1x43 s LEU 8 Cb -0.02 -0.65 -0.10 0.00 0.03 0.00 0.00 46.19 45.46 1x43 s LEU 8 CO 0.00 0.12 2.38 -0.46 0.23 0.00 0.00 176.35 178.62 1x43 n ASN 9 N 3.00 2.18 -4.01 2.29 6.94 -1.26 -4.92 115.26 119.49 1x43 n ASN 9 Ca -0.16 -0.10 -0.19 0.00 -0.02 0.00 0.00 54.58 54.11 1x43 n ASN 9 Cb 0.55 -1.43 -0.15 0.00 -2.36 0.00 0.00 39.78 36.39 1x43 n ASN 9 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1x43 s ASP 10 N 10.09 1.13 -0.37 0.53 2.15 -1.26 -5.11 116.67 123.83 1x43 s ASP 10 Ca 1.06 -0.17 0.04 0.00 0.43 0.00 0.00 52.55 53.90 1x43 s ASP 10 Cb -0.49 -0.23 0.11 0.00 -0.30 0.00 0.00 42.92 42.01 1x43 s ASP 10 CO 0.36 0.08 0.09 -0.76 -0.17 0.00 0.00 175.17 174.77 1x43 s LEU 11 N 0.02 4.49 -0.03 -1.34 1.43 -1.26 -5.08 118.68 116.91 1x43 s LEU 11 Ca -0.00 -2.28 -0.38 0.00 -1.03 0.00 0.00 54.13 50.44 1x43 s LEU 11 Cb -0.06 -1.57 -0.16 0.00 0.03 0.00 0.00 46.19 44.42 1x43 s LEU 11 CO 0.00 -0.36 1.48 0.29 0.23 0.00 0.00 176.35 178.00 1x43 n LYS 12 N 4.08 1.18 -0.06 1.70 4.76 -1.26 -4.90 118.16 123.66 1x43 n LYS 12 Ca 0.04 0.43 -0.06 0.00 -2.87 0.00 0.00 58.31 55.84 1x43 n LYS 12 Cb 0.40 -2.09 -0.05 0.00 -1.84 0.00 0.00 35.03 31.45 1x43 n LYS 12 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1x43 h GLU 13 N 5.49 0.00 -5.01 1.97 4.39 -2.07 -3.40 114.58 115.94 1x43 h GLU 13 Ca -0.47 0.00 -0.70 0.00 0.34 0.00 0.00 59.36 58.52 1x43 h GLU 13 Cb 1.33 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.81 1x43 h GLU 13 CO 0.84 0.42 1.16 -1.12 -1.16 0.00 0.00 179.01 179.15 1x43 s SER 14 N -5.87 6.82 -0.21 1.42 0.01 -1.26 -4.91 113.70 109.69 1x43 s SER 14 Ca -0.09 -2.43 -0.04 0.00 1.31 0.00 0.00 55.95 54.70 1x43 s SER 14 Cb -0.01 -2.42 0.11 0.00 0.21 0.00 0.00 66.02 63.91 1x43 s SER 14 CO 0.30 -0.96 0.29 -0.55 0.41 0.00 0.00 173.24 172.72 1x43 s SER 15 N 3.40 0.82 -0.36 2.44 0.15 -1.26 -5.11 113.70 113.78 1x43 s SER 15 Ca 0.39 0.05 0.04 0.00 0.70 0.00 0.00 55.95 57.12 1x43 s SER 15 Cb -0.03 0.70 0.10 0.00 -1.71 0.00 0.00 66.02 65.09 1x43 s SER 15 CO -0.05 -0.31 0.08 0.21 1.20 0.00 0.00 173.24 174.38 1x43 s ASN 16 N 2.42 4.65 0.45 5.45 2.47 -1.26 -5.10 114.94 124.03 1x43 s ASN 16 Ca 0.08 -2.23 0.03 0.00 0.42 0.00 0.00 52.86 51.16 1x43 s ASN 16 Cb -0.15 -1.57 0.03 0.00 -1.45 0.00 0.00 41.25 38.11 1x43 s ASN 16 CO -0.13 -0.36 0.27 0.59 -3.72 0.00 0.00 177.10 173.75 1x43 n ASN 17 N 4.14 2.61 -4.97 -4.21 3.02 -1.26 -5.11 115.26 109.49 1x43 n ASN 17 Ca 0.04 -2.64 -0.21 0.00 -0.03 0.00 0.00 54.58 51.74 1x43 n ASN 17 Cb 0.41 0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.60 1x43 n ASN 17 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1x43 s ARG 18 N -3.81 3.33 -0.01 3.52 1.81 0.89 -4.94 118.95 119.73 1x43 s ARG 18 Ca 0.20 -0.79 0.04 0.00 -1.72 0.00 0.00 55.73 53.47 1x43 s ARG 18 Cb -0.02 -2.83 -0.01 0.00 -0.45 0.00 0.00 34.95 31.64 1x43 s ARG 18 CO 0.13 0.26 -0.14 0.15 -0.68 0.00 0.00 175.30 175.02 1x43 s LYS 19 N -4.10 1.19 0.05 3.54 -0.14 -1.26 -0.17 119.74 118.85 1x43 s LYS 19 Ca 0.39 -0.50 -0.10 0.00 -1.36 0.00 0.00 55.97 54.40 1x43 s LYS 19 Cb -0.09 -1.13 0.00 0.00 -1.68 0.00 0.00 37.83 34.93 1x43 s LYS 19 CO 0.31 0.29 0.21 0.00 -0.76 0.00 0.00 175.35 175.40 1x43 s ALA 20 N -0.27 -0.37 -0.15 5.17 0.00 -1.19 -3.53 121.76 121.41 1x43 s ALA 20 Ca 0.04 -0.33 -0.06 0.00 0.00 0.00 0.00 51.96 51.61 1x43 s ALA 20 Cb -0.06 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 1x43 s ALA 20 CO -0.00 -0.41 0.05 0.50 0.00 0.00 0.00 175.76 175.89 1x43 s ARG 21 N -2.94 3.65 -0.00 0.00 3.52 -1.25 -2.64 118.95 119.29 1x43 s ARG 21 Ca -0.02 -0.35 -0.30 0.00 -0.13 0.00 0.00 55.73 54.93 1x43 s ARG 21 Cb 0.01 -3.08 -0.04 0.00 -1.56 0.00 0.00 34.95 30.27 1x43 s ARG 21 CO -0.06 0.43 1.21 0.08 -0.81 0.00 0.00 175.30 176.15 1x43 s VAL 22 N -0.10 4.15 -0.06 7.11 1.01 0.94 -1.87 120.40 131.57 1x43 s VAL 22 Ca 0.06 1.51 0.13 0.00 0.00 0.00 0.00 61.98 63.68 1x43 s VAL 22 Cb -0.12 -3.97 -0.14 0.00 0.00 0.00 0.00 36.38 32.14 1x43 s VAL 22 CO 0.01 0.05 0.97 -0.07 0.00 0.00 0.00 175.10 176.06 1x43 h LEU 23 N 7.60 0.00 -7.51 3.92 3.38 -0.99 -1.79 115.31 119.92 1x43 h LEU 23 Ca -0.38 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.49 1x43 h LEU 23 Cb 1.19 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.75 1x43 h LEU 23 CO 0.85 0.77 -0.25 -0.31 0.09 0.00 0.00 178.44 179.59 1x43 s TYR 24 N -2.79 -0.17 -0.09 1.13 1.51 -1.26 -4.67 117.35 111.01 1x43 s TYR 24 Ca -0.01 0.21 -0.30 0.00 -1.01 0.00 0.00 57.07 55.96 1x43 s TYR 24 Cb 0.09 0.11 -0.04 0.00 -0.11 0.00 0.00 41.96 42.00 1x43 s TYR 24 CO 0.81 -0.43 1.46 0.16 -1.11 0.00 0.00 175.55 176.43 1x43 s ASP 25 N -1.55 6.81 0.16 2.29 1.47 -1.26 -4.37 116.67 120.22 1x43 s ASP 25 Ca -0.11 2.01 0.05 0.00 1.18 0.00 0.00 52.55 55.68 1x43 s ASP 25 Cb -0.04 -2.54 -0.04 0.00 -0.34 0.00 0.00 42.92 39.97 1x43 s ASP 25 CO 0.02 -0.83 0.17 -0.47 0.68 0.00 0.00 175.17 174.75 1x43 s TYR 26 N 3.53 3.22 -0.26 2.11 5.04 0.19 -4.92 117.35 126.26 1x43 s TYR 26 Ca 0.65 0.01 0.03 0.00 -2.44 0.00 0.00 57.07 55.31 1x43 s TYR 26 Cb -0.29 -1.54 0.06 0.00 0.35 0.00 0.00 41.96 40.54 1x43 s TYR 26 CO 0.23 0.52 -0.11 0.34 -1.34 0.00 0.00 175.55 175.19 1x43 s ASP 27 N -3.16 4.39 0.26 4.32 2.15 -1.26 -1.72 116.67 121.65 1x43 s ASP 27 Ca 0.32 -1.37 -0.30 0.00 0.43 0.00 0.00 52.55 51.63 1x43 s ASP 27 Cb -0.10 -1.53 -0.11 0.00 -0.30 0.00 0.00 42.92 40.88 1x43 s ASP 27 CO 0.25 -0.19 1.50 0.00 -0.17 0.00 0.00 175.17 176.56 1x43 s ALA 28 N 1.12 3.68 0.14 3.66 0.00 -1.26 -4.92 121.76 124.18 1x43 s ALA 28 Ca -0.08 1.42 0.01 0.00 0.00 0.00 0.00 51.96 53.31 1x43 s ALA 28 Cb -0.20 -3.59 -0.09 0.00 0.00 0.00 0.00 23.12 19.24 1x43 s ALA 28 CO -0.05 -0.84 1.32 0.00 0.00 0.00 0.00 175.76 176.19 1x43 h ALA 29 N 5.05 0.41 -3.10 0.00 0.00 -1.92 -3.48 119.26 116.22 1x43 h ALA 29 Ca -0.46 -0.77 -0.07 0.00 0.00 0.00 0.00 54.91 53.61 1x43 h ALA 29 Cb 1.22 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1x43 h ALA 29 CO 0.79 0.95 0.19 0.27 0.00 0.00 0.00 179.25 181.45 1x43 n ASN 30 N -3.61 -1.99 -0.18 0.00 2.04 -1.26 -5.02 115.26 105.23 1x43 n ASN 30 Ca -0.04 -2.53 -0.05 0.00 -0.44 0.00 0.00 54.58 51.52 1x43 n ASN 30 Cb 0.86 3.36 0.01 0.00 -2.53 0.00 0.00 39.78 41.48 1x43 n ASN 30 CO 0.00 0.00 0.00 -1.28 -0.44 0.00 0.00 177.26 175.54 1x43 h SER 31 N 1.84 -1.00 -1.56 0.53 0.87 -1.96 0.41 113.55 112.69 1x43 h SER 31 Ca -0.30 0.21 0.45 0.00 -1.23 0.00 0.00 61.79 60.92 1x43 h SER 31 Cb 1.14 0.51 -0.06 0.00 -0.44 0.00 0.00 62.40 63.55 1x43 h SER 31 CO 0.39 -0.29 1.13 0.71 -0.53 0.00 0.00 176.83 178.24 1x43 h THR 32 N -0.15 0.22 -3.37 2.23 1.35 -1.97 -3.39 112.91 107.83 1x43 h THR 32 Ca 0.23 0.00 -0.66 0.00 -0.55 0.00 0.00 66.41 65.44 1x43 h THR 32 Cb 0.53 0.22 -0.13 0.00 -1.73 0.00 0.00 68.15 67.04 1x43 h THR 32 CO -0.64 0.00 -0.66 -1.61 -0.25 0.00 0.00 175.52 172.37 1x43 s GLU 33 N -4.90 2.65 0.09 4.72 2.02 0.14 0.94 118.70 124.36 1x43 s GLU 33 Ca -0.05 -0.73 0.07 0.00 0.02 0.00 0.00 54.97 54.28 1x43 s GLU 33 Cb 0.25 -2.59 -0.04 0.00 0.10 0.00 0.00 34.13 31.84 1x43 s GLU 33 CO 0.85 0.58 -0.13 -0.51 0.02 0.00 0.00 175.26 176.06 1x43 s LEU 34 N -1.95 2.89 0.41 1.80 1.43 -0.96 -4.49 118.68 117.80 1x43 s LEU 34 Ca 0.23 -0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 52.69 1x43 s LEU 34 Cb -0.12 -1.70 -0.11 0.00 0.03 0.00 0.00 46.19 44.30 1x43 s LEU 34 CO 0.14 0.20 0.95 -0.55 0.23 0.00 0.00 176.35 177.33 1x43 s SER 35 N -1.97 7.01 0.04 2.29 0.15 -1.26 -4.13 113.70 115.82 1x43 s SER 35 Ca 0.19 1.72 0.05 0.00 0.70 0.00 0.00 55.95 58.61 1x43 s SER 35 Cb -0.11 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.63 1x43 s SER 35 CO 0.11 -0.31 -0.14 -0.76 1.20 0.00 0.00 173.24 173.33 1x43 s LEU 36 N -2.98 2.18 0.14 3.45 1.43 -0.70 -4.94 118.68 117.27 1x43 s LEU 36 Ca 0.60 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 53.29 1x43 s LEU 36 Cb -0.11 -0.59 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 1x43 s LEU 36 CO 0.15 0.02 -0.03 -0.76 0.23 0.00 0.00 176.35 175.96 1x43 s LEU 37 N -1.20 3.24 0.05 1.79 1.43 -1.26 0.52 118.68 123.25 1x43 s LEU 37 Ca 0.01 -0.37 -0.31 0.00 -1.03 0.00 0.00 54.13 52.43 1x43 s LEU 37 Cb -0.08 -1.95 -0.06 0.00 0.03 0.00 0.00 46.19 44.13 1x43 s LEU 37 CO 0.01 0.13 1.31 0.00 0.23 0.00 0.00 176.35 178.03 1x43 s ALA 38 N -1.52 3.51 -0.33 4.21 0.00 -1.26 -3.26 121.76 123.11 1x43 s ALA 38 Ca 0.25 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 53.10 1x43 s ALA 38 Cb -0.10 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1x43 s ALA 38 CO 0.17 -0.66 0.28 -0.25 0.00 0.00 0.00 175.76 175.31 1x43 n ASP 39 N 4.49 -2.69 -3.86 0.00 8.00 -0.67 -4.94 116.55 116.87 1x43 n ASP 39 Ca 0.11 -0.14 -0.17 0.00 0.71 0.00 0.00 54.79 55.30 1x43 n ASP 39 Cb 0.44 -1.66 -0.16 0.00 -0.02 0.00 0.00 41.12 39.73 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 -4.95 0.39 -0.21 -1.24 -1.05 -1.20 -4.93 118.70 105.50 1x43 s GLU 40 Ca 0.09 -0.01 -0.05 0.00 -0.15 0.00 0.00 54.97 54.85 1x43 s GLU 40 Cb -0.04 -0.49 -0.02 0.00 -0.44 0.00 0.00 34.13 33.14 1x43 s GLU 40 CO 0.18 -0.07 0.01 0.08 0.95 0.00 0.00 175.26 176.41 1x43 s VAL 41 N 0.70 3.94 0.45 1.83 1.01 -1.26 -0.04 120.40 127.03 1x43 s VAL 41 Ca -0.07 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1x43 s VAL 41 Cb -0.11 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1x43 s VAL 41 CO -0.01 0.41 0.04 0.27 0.00 0.00 0.00 175.10 175.81 1x43 s ILE 42 N 1.19 1.15 -0.21 2.22 -4.36 -1.08 -4.96 121.20 115.15 1x43 s ILE 42 Ca 0.03 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.19 1x43 s ILE 42 Cb -0.14 -2.39 -0.01 0.00 1.25 0.00 0.00 42.46 41.16 1x43 s ILE 42 CO 0.01 0.00 0.76 -0.89 0.24 0.00 0.00 174.94 175.06 1x43 s THR 43 N -2.97 4.91 0.05 8.37 2.01 -1.26 -3.19 115.64 123.56 1x43 s THR 43 Ca 0.17 1.45 0.08 0.00 0.31 0.00 0.00 61.69 63.70 1x43 s THR 43 Cb 0.04 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 1x43 s THR 43 CO 0.09 0.02 -0.23 0.68 -0.69 0.00 0.00 174.62 174.49 1x43 s VAL 44 N 2.32 1.88 -0.12 3.82 -7.23 0.76 -1.56 120.40 120.28 1x43 s VAL 44 Ca 0.34 -1.29 -0.17 0.00 -1.81 0.00 0.00 61.98 59.05 1x43 s VAL 44 Cb -0.16 -1.62 0.04 0.00 0.56 0.00 0.00 36.38 35.20 1x43 s VAL 44 CO 0.10 0.27 0.43 0.72 -0.31 0.00 0.00 175.10 176.31 1x43 s PHE 45 N -0.81 -0.43 0.12 2.82 -0.71 -0.25 -0.08 117.98 118.65 1x43 s PHE 45 Ca 0.09 0.95 -0.24 0.00 -1.04 0.00 0.00 56.93 56.70 1x43 s PHE 45 Cb -0.09 0.17 -0.07 0.00 -1.21 0.00 0.00 43.02 41.82 1x43 s PHE 45 CO 0.02 -0.31 0.72 -1.54 -1.34 0.00 0.00 175.22 172.77 1x43 s SER 46 N -0.29 7.27 0.00 1.98 1.04 -1.26 0.84 113.70 123.29 1x43 s SER 46 Ca -0.04 1.51 0.08 0.00 0.48 0.00 0.00 55.95 57.97 1x43 s SER 46 Cb -0.03 -2.46 -0.03 0.00 0.10 0.00 0.00 66.02 63.60 1x43 s SER 46 CO 0.02 0.19 -0.23 -0.69 0.98 0.00 0.00 173.24 173.51 1x43 s VAL 47 N -0.92 2.36 -0.09 5.02 1.01 -1.26 -4.96 120.40 121.57 1x43 s VAL 47 Ca 0.34 -1.14 -0.40 0.00 0.00 0.00 0.00 61.98 60.78 1x43 s VAL 47 Cb -0.22 -1.90 -0.19 0.00 0.00 0.00 0.00 36.38 34.08 1x43 s VAL 47 CO 0.24 0.48 1.31 0.52 0.00 0.00 0.00 175.10 177.65 1x43 n VAL 48 N 2.08 0.04 0.00 2.92 0.31 -1.26 0.40 118.33 122.81 1x43 n VAL 48 Ca -0.16 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1x43 n VAL 48 Cb 0.52 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 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 2.51 2.33 3.36 2.92 0.00 -1.26 -5.00 105.19 110.05 1x43 n GLY 49 Ca 0.22 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 0.24 -2.57 1.61 0.00 0.16 -4.90 117.12 111.67 1x43 n MET 50 Ca 0.00 0.09 -0.35 0.00 0.00 0.00 0.00 57.70 57.44 1x43 n MET 50 Cb 0.00 -1.24 -0.04 0.00 0.00 0.00 0.00 33.22 31.94 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 -1.00 6.56 0.59 6.12 1.01 -1.26 -4.90 116.67 123.79 1x43 s ASP 51 Ca 0.61 1.94 0.37 0.00 0.71 0.00 0.00 52.55 56.19 1x43 s ASP 51 Cb -0.59 -2.57 1.77 0.00 1.01 0.00 0.00 42.92 42.54 1x43 s ASP 51 CO 0.61 -0.63 2.14 0.77 0.21 0.00 0.00 175.17 178.26 1x43 h SER 52 N 1.94 0.00 -0.51 0.27 4.64 -1.99 -1.25 113.55 116.66 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 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1x43 h SER 52 CO 0.60 0.01 0.00 0.47 -0.87 0.00 0.00 176.83 177.05 1x43 n ASP 53 N -3.14 3.69 -3.69 4.97 8.00 -1.26 -4.81 116.55 120.31 1x43 n ASP 53 Ca -0.01 -2.31 -0.10 0.00 0.71 0.00 0.00 54.79 53.08 1x43 n ASP 53 Cb 0.21 -0.49 -0.11 0.00 -0.02 0.00 0.00 41.12 40.72 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 -1.72 -0.63 0.50 1.24 0.52 -0.47 -2.83 118.94 115.54 1x43 s TRP 54 Ca 0.39 1.33 0.04 0.00 0.02 0.00 0.00 56.10 57.88 1x43 s TRP 54 Cb 0.25 0.29 -0.01 0.00 -1.15 0.00 0.00 33.47 32.85 1x43 s TRP 54 CO 0.20 -0.35 0.16 -0.51 0.02 0.00 0.00 176.95 176.47 1x43 s LEU 55 N 1.41 2.61 -0.56 2.99 1.43 0.66 -4.13 118.68 123.09 1x43 s LEU 55 Ca -0.10 -1.40 -0.18 0.00 -1.03 0.00 0.00 54.13 51.43 1x43 s LEU 55 Cb -0.08 -1.02 0.10 0.00 0.03 0.00 0.00 46.19 45.22 1x43 s LEU 55 CO -0.13 -0.85 0.61 -0.32 0.23 0.00 0.00 176.35 175.88 1x43 s MET 56 N -4.00 3.03 0.31 1.70 1.75 0.25 -0.37 119.30 121.96 1x43 s MET 56 Ca 0.23 -1.40 -0.09 0.00 -1.25 0.00 0.00 55.69 53.18 1x43 s MET 56 Cb 0.01 -4.25 -0.06 0.00 2.84 0.00 0.00 34.83 33.37 1x43 s MET 56 CO 0.13 -1.40 0.64 0.20 -0.65 0.00 0.00 175.02 173.94 1x43 s GLY 57 N 3.44 2.03 -0.17 2.11 0.00 -0.43 -1.09 107.32 113.20 1x43 s GLY 57 Ca 0.09 -0.32 -0.05 0.00 0.00 0.00 0.00 44.72 44.44 1x43 s GLY 57 CO 0.06 -0.17 0.12 1.85 0.00 0.00 0.00 173.10 174.96 1x43 s GLU 58 N -3.40 0.09 -0.33 2.90 2.12 -0.60 -2.28 118.70 117.20 1x43 s GLU 58 Ca 0.48 0.00 -0.01 0.00 0.36 0.00 0.00 54.97 55.80 1x43 s GLU 58 Cb -0.11 -1.64 0.07 0.00 0.26 0.00 0.00 34.13 32.71 1x43 s GLU 58 CO 0.27 -0.65 0.05 0.50 -0.54 0.00 0.00 175.26 174.88 1x43 s ARG 59 N 2.18 2.21 4.47 4.30 3.52 -1.10 -3.99 118.95 130.54 1x43 s ARG 59 Ca 0.03 -1.47 0.00 0.00 -0.13 0.00 0.00 55.73 54.16 1x43 s ARG 59 Cb -0.16 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 1x43 s ARG 59 CO -0.09 -0.76 0.00 0.41 -0.81 0.00 0.00 175.30 174.04 1x43 n GLY 60 N 4.56 1.00 1.54 8.12 0.00 -1.26 -2.10 105.19 117.05 1x43 n GLY 60 Ca -0.09 0.36 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 8.55 3.58 -4.27 1.61 3.02 -1.26 -5.04 115.26 121.44 1x43 n ASN 61 Ca 0.00 -3.70 -0.15 0.00 -0.03 0.00 0.00 54.58 50.71 1x43 n ASN 61 Cb 0.00 -0.41 -0.10 0.00 -0.61 0.00 0.00 39.78 38.66 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 -3.40 1.19 -0.06 3.52 -0.21 -0.89 -5.17 119.66 114.64 1x43 s GLN 62 Ca 0.45 -1.58 -0.17 0.00 0.02 0.00 0.00 55.36 54.08 1x43 s GLN 62 Cb 0.39 -0.40 0.03 0.00 1.00 0.00 0.00 33.01 34.03 1x43 s GLN 62 CO -0.01 -0.11 0.39 0.15 -2.12 0.00 0.00 175.29 173.59 1x43 s LYS 63 N -3.89 0.68 0.00 2.91 1.02 -1.26 -2.72 119.74 116.48 1x43 s LYS 63 Ca 0.25 0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.31 1x43 s LYS 63 Cb 0.06 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.68 1x43 s LYS 63 CO 0.05 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.72 1x43 n GLY 64 N 1.63 0.94 3.88 -3.33 0.00 -0.97 -4.81 105.19 102.54 1x43 n GLY 64 Ca -0.19 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.05 3.51 -0.06 1.61 1.02 0.27 -1.32 119.74 124.71 1x43 s LYS 65 Ca 0.00 -0.10 0.03 0.00 0.02 0.00 0.00 55.97 55.92 1x43 s LYS 65 Cb 0.00 -3.16 0.01 0.00 -0.52 0.00 0.00 37.83 34.16 1x43 s LYS 65 CO 0.00 0.73 -0.13 0.14 -0.92 0.00 0.00 175.35 175.17 1x43 s VAL 66 N -1.12 1.19 -0.14 3.17 -7.23 0.50 -2.28 120.40 114.49 1x43 s VAL 66 Ca 0.20 -0.52 -0.29 0.00 -1.81 0.00 0.00 61.98 59.55 1x43 s VAL 66 Cb -0.13 -1.08 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 1x43 s VAL 66 CO 0.09 0.37 1.55 -2.16 -0.31 0.00 0.00 175.10 174.64 1x43 s PRO 67 N 0.56 4.04 0.45 4.82 0.04 -1.26 -0.25 135.00 143.41 1x43 s PRO 67 Ca -0.13 1.87 0.11 0.00 0.04 0.00 0.00 61.00 62.88 1x43 s PRO 67 Cb -0.15 -3.96 0.99 0.00 0.04 0.00 0.00 34.50 31.42 1x43 s PRO 67 CO 0.04 -0.99 2.06 0.82 0.04 0.00 0.00 177.00 178.97 1x43 h ILE 68 N 5.78 1.08 -0.01 0.56 5.03 -1.84 -1.11 117.51 127.00 1x43 h ILE 68 Ca -0.34 -0.24 0.00 0.00 -0.12 0.00 0.00 64.86 64.16 1x43 h ILE 68 Cb 1.15 0.82 -0.00 0.00 -3.03 0.00 0.00 36.82 35.76 1x43 h ILE 68 CO 0.98 0.09 0.06 0.71 -0.68 0.00 0.00 178.15 179.30 1x43 h THR 69 N 0.29 0.11 0.00 -0.27 1.35 -1.90 0.10 112.91 112.58 1x43 h THR 69 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 1x43 h THR 69 Cb 0.05 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 1x43 h THR 69 CO -0.01 0.00 -1.23 -1.22 -0.25 0.00 0.00 175.52 172.81 1x43 n TYR 70 N -3.21 0.00 -4.15 4.73 4.02 -0.44 -4.95 117.16 113.17 1x43 n TYR 70 Ca -0.03 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.57 1x43 n TYR 70 Cb 0.13 -0.13 -0.08 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 -3.37 3.41 -0.56 7.72 1.43 0.36 -0.35 118.68 127.31 1x43 s LEU 71 Ca 0.04 -0.24 0.04 0.00 -1.03 0.00 0.00 54.13 52.94 1x43 s LEU 71 Cb 0.16 -2.12 0.16 0.00 0.03 0.00 0.00 46.19 44.41 1x43 s LEU 71 CO 0.88 0.15 0.38 -0.70 0.23 0.00 0.00 176.35 177.28 1x43 s GLU 72 N -2.48 1.78 -0.45 1.70 2.12 -0.78 -4.85 118.70 115.73 1x43 s GLU 72 Ca 0.26 -2.68 -0.42 0.00 0.36 0.00 0.00 54.97 52.48 1x43 s GLU 72 Cb -0.11 -2.69 -0.17 0.00 0.26 0.00 0.00 34.13 31.42 1x43 s GLU 72 CO 0.18 -1.27 2.05 1.28 -0.54 0.00 0.00 175.26 176.96 1x43 n LEU 73 N 2.64 1.20 -4.67 2.70 4.77 -1.26 -3.75 117.00 118.64 1x43 n LEU 73 Ca 0.18 0.73 -0.43 0.00 -0.03 0.00 0.00 56.01 56.46 1x43 n LEU 73 Cb 0.38 -0.99 -0.02 0.00 -2.33 0.00 0.00 43.42 40.46 1x43 n LEU 73 CO 0.23 -0.75 0.97 -0.76 -1.33 0.00 0.00 177.39 175.75 1x43 s LEU 74 N 5.67 4.16 -0.90 2.23 1.43 -1.23 -3.35 118.68 126.68 1x43 s LEU 74 Ca 1.14 1.55 -0.05 0.00 -1.03 0.00 0.00 54.13 55.74 1x43 s LEU 74 Cb -1.34 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 41.34 1x43 s LEU 74 CO 0.65 -0.67 0.67 -3.20 0.23 0.00 0.00 176.35 174.02 1x43 n ASN 75 N 6.19 -4.73 -0.28 2.29 5.15 -1.26 -4.88 115.26 117.74 1x43 n ASN 75 Ca 0.12 -0.30 0.07 0.00 -0.60 0.00 0.00 54.58 53.87 1x43 n ASN 75 Cb 0.46 -3.39 0.16 0.00 -0.53 0.00 0.00 39.78 36.48 1x43 n ASN 75 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1x43 n SER 76 N -1.28 -0.21 -3.64 1.20 2.88 -1.21 -4.69 113.62 106.67 1x43 n SER 76 Ca -0.01 1.35 -0.02 0.00 -1.33 0.00 0.00 58.87 58.85 1x43 n SER 76 Cb 0.55 -0.44 -0.04 0.00 -0.75 0.00 0.00 64.21 63.53 1x43 n SER 76 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x43 s GLY 77 N -4.20 0.05 -1.04 0.46 0.00 -1.26 -5.08 107.32 96.24 1x43 s GLY 77 Ca -0.11 2.72 -0.24 0.00 0.00 0.00 0.00 44.72 47.10 1x43 s GLY 77 CO 0.61 1.06 1.94 2.56 0.00 0.00 0.00 173.10 179.28 1x43 s PRO 78 N -1.12 2.52 0.85 2.90 0.04 -1.26 -4.94 135.00 133.99 1x43 s PRO 78 Ca 0.09 -0.73 -0.16 0.00 0.04 0.00 0.00 61.00 60.24 1x43 s PRO 78 Cb -0.01 -5.15 -0.14 0.00 0.04 0.00 0.00 34.50 29.24 1x43 s PRO 78 CO -0.07 -3.69 -0.65 -1.13 0.04 0.00 0.00 177.00 171.50 1x43 n SER 79 N 14.20 -5.28 -3.64 6.66 3.41 -1.26 -5.01 113.62 122.71 1x43 n SER 79 Ca 0.42 0.25 -0.09 0.00 -0.26 0.00 0.00 58.87 59.19 1x43 n SER 79 Cb 0.47 -0.73 -0.07 0.00 -0.26 0.00 0.00 64.21 63.62 1x43 n SER 79 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x43 s SER 80 N -0.94 -0.90 0.00 4.04 1.04 -1.26 -5.29 113.70 110.40 1x43 s SER 80 Ca 0.40 1.50 0.00 0.00 0.48 0.00 0.00 55.95 58.33 1x43 s SER 80 Cb -0.22 1.41 0.00 0.00 0.10 0.00 0.00 66.02 67.31 1x43 s SER 80 CO 0.75 -0.24 0.03 0.61 0.98 0.00 0.00 173.24 175.36