#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 -0.15 0.00 1.61 0.15 -1.26 -5.09 113.70 108.97 1x43 s SER 2 Ca 0.00 -0.30 -0.01 0.00 0.70 0.00 0.00 55.95 56.34 1x43 s SER 2 Cb 0.00 0.38 -0.01 0.00 -1.71 0.00 0.00 66.02 64.68 1x43 s SER 2 CO 0.00 -0.69 -0.02 -1.20 1.20 0.00 0.00 173.24 172.53 1x43 n SER 3 N -0.46 0.32 -1.35 5.45 7.64 -1.26 -5.10 113.62 118.86 1x43 n SER 3 Ca -0.07 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1x43 n SER 3 Cb 0.61 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 2.98 0.20 2.95 0.23 0.00 -1.26 -5.05 105.19 105.24 1x43 n GLY 4 Ca -0.03 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1x43 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x43 s SER 5 N -2.32 4.32 -0.00 1.61 0.01 -1.26 -5.08 113.70 110.98 1x43 s SER 5 Ca 0.00 -2.99 0.06 0.00 1.31 0.00 0.00 55.95 54.33 1x43 s SER 5 Cb 0.00 -1.63 -0.02 0.00 0.21 0.00 0.00 66.02 64.58 1x43 s SER 5 CO 0.00 -0.24 -0.18 -0.94 0.41 0.00 0.00 173.24 172.30 1x43 s SER 6 N -0.25 2.07 -0.34 2.44 1.04 -1.26 -5.10 113.70 112.31 1x43 s SER 6 Ca 0.17 -0.35 -0.05 0.00 0.48 0.00 0.00 55.95 56.20 1x43 s SER 6 Cb -0.26 -0.22 0.19 0.00 0.10 0.00 0.00 66.02 65.83 1x43 s SER 6 CO -0.00 0.19 0.92 -0.83 0.98 0.00 0.00 173.24 174.50 1x43 s GLY 7 N -0.56 -1.35 -0.40 7.32 0.00 -1.26 -5.11 107.32 105.95 1x43 s GLY 7 Ca 0.06 1.17 0.01 0.00 0.00 0.00 0.00 44.72 45.97 1x43 s GLY 7 CO -0.00 4.09 0.20 1.08 0.00 0.00 0.00 173.10 178.47 1x43 s LEU 8 N 2.18 2.51 -0.87 0.66 1.43 -1.26 -5.06 118.68 118.27 1x43 s LEU 8 Ca 0.17 -2.37 -0.13 0.00 -1.03 0.00 0.00 54.13 50.76 1x43 s LEU 8 Cb -0.00 -0.96 0.23 0.00 0.03 0.00 0.00 46.19 45.48 1x43 s LEU 8 CO -0.15 -0.30 0.82 0.21 0.23 0.00 0.00 176.35 177.15 1x43 s ASN 9 N 0.69 6.84 0.27 2.29 2.47 -1.26 -5.02 114.94 121.21 1x43 s ASN 9 Ca 0.16 -2.81 0.08 0.00 0.42 0.00 0.00 52.86 50.71 1x43 s ASN 9 Cb -0.23 -2.21 -0.05 0.00 -1.45 0.00 0.00 41.25 37.31 1x43 s ASN 9 CO -0.05 -0.54 -0.10 -1.81 -3.72 0.00 0.00 177.10 170.88 1x43 s ASP 10 N 2.05 2.92 -0.56 -4.21 1.11 -1.26 -5.11 116.67 111.61 1x43 s ASP 10 Ca 0.20 -1.13 0.04 0.00 0.18 0.00 0.00 52.55 51.84 1x43 s ASP 10 Cb -0.10 -0.19 0.14 0.00 1.07 0.00 0.00 42.92 43.83 1x43 s ASP 10 CO -0.09 -0.24 0.31 -0.76 1.18 0.00 0.00 175.17 175.57 1x43 s LEU 11 N -3.44 4.41 -0.17 1.23 1.02 -1.26 -5.05 118.68 115.43 1x43 s LEU 11 Ca 0.28 -3.19 -0.27 0.00 0.02 0.00 0.00 54.13 50.97 1x43 s LEU 11 Cb 0.01 -1.64 0.07 0.00 0.02 0.00 0.00 46.19 44.65 1x43 s LEU 11 CO 0.11 -0.20 0.68 -1.59 0.02 0.00 0.00 176.35 175.37 1x43 s LYS 12 N -0.54 0.91 -0.27 1.70 -2.85 -1.26 -5.06 119.74 112.37 1x43 s LYS 12 Ca 0.19 0.64 0.13 0.00 -1.00 0.00 0.00 55.97 55.93 1x43 s LYS 12 Cb -0.22 0.43 0.47 0.00 -2.06 0.00 0.00 37.83 36.46 1x43 s LYS 12 CO -0.03 -0.19 1.16 -1.91 0.10 0.00 0.00 175.35 174.47 1x43 n GLU 13 N 1.93 2.76 -0.30 1.78 2.13 -1.26 -4.88 120.64 122.79 1x43 n GLU 13 Ca -0.16 -3.83 0.11 0.00 0.66 0.00 0.00 57.16 53.93 1x43 n GLU 13 Cb 0.56 -1.95 0.25 0.00 0.27 0.00 0.00 31.44 30.57 1x43 n GLU 13 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1x43 h SER 14 N 2.24 -0.24 -6.94 4.31 4.64 -2.02 -3.44 113.55 112.10 1x43 h SER 14 Ca 0.16 0.22 -0.58 0.00 -0.47 0.00 0.00 61.79 61.12 1x43 h SER 14 Cb 1.43 0.35 -0.30 0.00 -0.31 0.00 0.00 62.40 63.57 1x43 h SER 14 CO 0.50 -0.22 -0.85 -0.24 -0.87 0.00 0.00 176.83 175.15 1x43 n SER 15 N -5.34 -2.49 -0.05 4.97 2.88 -1.26 -4.84 113.62 107.49 1x43 n SER 15 Ca 0.19 -1.10 -0.03 0.00 -1.33 0.00 0.00 58.87 56.60 1x43 n SER 15 Cb 0.64 -2.10 -0.01 0.00 -0.75 0.00 0.00 64.21 61.99 1x43 n SER 15 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1x43 h ASN 16 N -1.11 0.00 -3.84 -3.46 4.21 -2.02 -3.48 115.58 105.87 1x43 h ASN 16 Ca -0.58 0.00 -0.44 0.00 1.21 0.00 0.00 56.30 56.49 1x43 h ASN 16 Cb 1.38 0.00 0.16 0.00 -1.12 0.00 0.00 38.32 38.74 1x43 h ASN 16 CO 0.83 0.56 0.20 0.20 -1.29 0.00 0.00 177.43 177.93 1x43 s ASN 17 N -5.19 2.32 0.45 5.81 0.01 -1.26 -5.06 114.94 112.02 1x43 s ASN 17 Ca -0.10 0.97 0.02 0.00 -0.71 0.00 0.00 52.86 53.04 1x43 s ASN 17 Cb 0.01 -1.50 0.01 0.00 0.41 0.00 0.00 41.25 40.18 1x43 s ASN 17 CO 0.15 -3.30 0.66 -0.13 -1.51 0.00 0.00 177.10 172.96 1x43 s ARG 18 N -5.15 2.93 0.01 -0.60 0.52 0.19 -4.92 118.95 111.92 1x43 s ARG 18 Ca 0.67 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 55.19 1x43 s ARG 18 Cb -0.15 -2.60 -0.01 0.00 0.52 0.00 0.00 34.95 32.71 1x43 s ARG 18 CO 0.56 -0.32 -0.05 0.15 0.02 0.00 0.00 175.30 175.66 1x43 s LYS 19 N -4.53 0.38 0.08 3.54 -0.14 -1.26 0.26 119.74 118.07 1x43 s LYS 19 Ca 0.50 -0.34 -0.13 0.00 -1.36 0.00 0.00 55.97 54.65 1x43 s LYS 19 Cb -0.10 -0.28 0.02 0.00 -1.68 0.00 0.00 37.83 35.79 1x43 s LYS 19 CO 0.36 0.07 0.30 0.00 -0.76 0.00 0.00 175.35 175.32 1x43 s ALA 20 N -0.53 -0.62 -0.18 5.17 0.00 -1.19 -3.69 121.76 120.72 1x43 s ALA 20 Ca -0.03 -0.19 -0.09 0.00 0.00 0.00 0.00 51.96 51.65 1x43 s ALA 20 Cb -0.04 0.48 -0.05 0.00 0.00 0.00 0.00 23.12 23.51 1x43 s ALA 20 CO -0.00 -0.51 0.11 0.50 0.00 0.00 0.00 175.76 175.86 1x43 s ARG 21 N -3.31 3.99 0.18 0.00 3.52 -1.22 -2.67 118.95 119.44 1x43 s ARG 21 Ca 0.00 -0.25 -0.30 0.00 -0.13 0.00 0.00 55.73 55.06 1x43 s ARG 21 Cb 0.02 -3.31 -0.08 0.00 -1.56 0.00 0.00 34.95 30.02 1x43 s ARG 21 CO -0.08 0.37 1.17 0.08 -0.81 0.00 0.00 175.30 176.03 1x43 s VAL 22 N 0.12 3.67 -0.12 7.11 1.01 0.92 -1.83 120.40 131.28 1x43 s VAL 22 Ca 0.08 1.41 0.17 0.00 0.00 0.00 0.00 61.98 63.64 1x43 s VAL 22 Cb -0.12 -3.90 -0.19 0.00 0.00 0.00 0.00 36.38 32.17 1x43 s VAL 22 CO -0.00 0.23 0.62 0.18 0.00 0.00 0.00 175.10 176.12 1x43 n LEU 23 N 2.48 0.60 -3.74 3.92 4.77 0.12 -2.24 117.00 122.91 1x43 n LEU 23 Ca 0.04 0.27 -0.13 0.00 -0.03 0.00 0.00 56.01 56.15 1x43 n LEU 23 Cb 0.45 0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.62 1x43 n LEU 23 CO 0.55 0.22 0.06 -0.31 -1.33 0.00 0.00 177.39 176.58 1x43 s TYR 24 N -2.87 -0.21 -0.08 -1.77 1.51 -1.26 -4.70 117.35 107.98 1x43 s TYR 24 Ca -0.05 0.29 -0.30 0.00 -1.01 0.00 0.00 57.07 56.00 1x43 s TYR 24 Cb 0.09 0.12 -0.04 0.00 -0.11 0.00 0.00 41.96 42.02 1x43 s TYR 24 CO 0.83 -0.43 1.46 0.16 -1.11 0.00 0.00 175.55 176.46 1x43 s ASP 25 N -1.45 6.81 0.17 2.29 -4.77 -1.26 -4.36 116.67 114.11 1x43 s ASP 25 Ca -0.12 2.02 0.06 0.00 -3.30 0.00 0.00 52.55 51.20 1x43 s ASP 25 Cb -0.04 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.21 1x43 s ASP 25 CO 0.03 -0.82 0.10 -0.47 0.70 0.00 0.00 175.17 174.71 1x43 s TYR 26 N 3.47 3.04 -0.28 2.11 5.04 0.39 -4.90 117.35 126.23 1x43 s TYR 26 Ca 0.65 -0.06 0.01 0.00 -2.44 0.00 0.00 57.07 55.23 1x43 s TYR 26 Cb -0.29 -1.46 0.08 0.00 0.35 0.00 0.00 41.96 40.65 1x43 s TYR 26 CO 0.24 0.52 0.02 -0.51 -1.34 0.00 0.00 175.55 174.47 1x43 s ASP 27 N -3.11 4.16 0.09 4.32 1.11 -1.26 -0.33 116.67 121.65 1x43 s ASP 27 Ca 0.30 -1.58 -0.30 0.00 0.18 0.00 0.00 52.55 51.15 1x43 s ASP 27 Cb -0.10 -1.22 -0.16 0.00 1.07 0.00 0.00 42.92 42.51 1x43 s ASP 27 CO 0.22 -0.32 0.70 0.00 1.18 0.00 0.00 175.17 176.94 1x43 n ALA 28 N 4.60 -2.97 0.04 5.23 0.00 -1.25 -4.87 120.51 121.28 1x43 n ALA 28 Ca -0.05 0.46 -0.13 0.00 0.00 0.00 0.00 53.44 53.72 1x43 n ALA 28 Cb 0.43 -1.49 -0.14 0.00 0.00 0.00 0.00 19.45 18.25 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 1.74 0.40 -3.97 0.00 0.00 -1.91 -3.48 119.26 112.03 1x43 h ALA 29 Ca -0.35 -1.16 -0.26 0.00 0.00 0.00 0.00 54.91 53.14 1x43 h ALA 29 Cb 1.27 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 19.25 1x43 h ALA 29 CO 0.54 1.26 -0.13 0.27 0.00 0.00 0.00 179.25 181.20 1x43 n ASN 30 N -3.35 -1.38 0.22 0.00 2.04 -1.26 -5.01 115.26 106.52 1x43 n ASN 30 Ca -0.14 -2.85 0.14 0.00 -0.44 0.00 0.00 54.58 51.29 1x43 n ASN 30 Cb 1.02 2.56 0.77 0.00 -2.53 0.00 0.00 39.78 41.60 1x43 n ASN 30 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1x43 h SER 31 N 1.94 0.00 -0.53 0.53 0.02 -2.00 -0.60 113.55 112.91 1x43 h SER 31 Ca -0.27 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.46 1x43 h SER 31 Cb 1.17 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.58 1x43 h SER 31 CO 0.37 0.00 0.28 0.35 -1.14 0.00 0.00 176.83 176.69 1x43 n THR 32 N -2.50 2.14 -3.62 -2.27 -2.24 -1.26 -4.87 114.28 99.66 1x43 n THR 32 Ca -0.02 -1.07 -0.14 0.00 -2.27 0.00 0.00 64.05 60.55 1x43 n THR 32 Cb 0.08 -0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 67.66 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 -2.01 0.95 0.13 -0.78 2.02 -0.23 -2.59 118.70 116.20 1x43 s GLU 33 Ca 0.34 -0.18 0.10 0.00 0.02 0.00 0.00 54.97 55.25 1x43 s GLU 33 Cb 0.28 0.43 -0.04 0.00 0.10 0.00 0.00 34.13 34.90 1x43 s GLU 33 CO 0.07 -0.32 -0.21 -0.51 0.02 0.00 0.00 175.26 174.31 1x43 s LEU 34 N -1.75 2.57 0.59 1.80 1.43 -1.18 -4.66 118.68 117.47 1x43 s LEU 34 Ca -0.07 -0.66 -0.15 0.00 -1.03 0.00 0.00 54.13 52.21 1x43 s LEU 34 Cb -0.01 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 1x43 s LEU 34 CO 0.01 0.17 1.05 -0.55 0.23 0.00 0.00 176.35 177.26 1x43 s SER 35 N -2.23 5.83 0.03 2.29 0.15 -1.26 -3.93 113.70 114.58 1x43 s SER 35 Ca 0.17 1.78 0.01 0.00 0.70 0.00 0.00 55.95 58.61 1x43 s SER 35 Cb -0.10 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.66 1x43 s SER 35 CO 0.09 -1.13 -0.05 -0.76 1.20 0.00 0.00 173.24 172.59 1x43 s LEU 36 N -4.55 2.20 0.27 3.45 1.43 0.56 -4.91 118.68 117.13 1x43 s LEU 36 Ca 0.63 -0.44 0.11 0.00 -1.03 0.00 0.00 54.13 53.40 1x43 s LEU 36 Cb -0.15 -0.08 -0.05 0.00 0.03 0.00 0.00 46.19 45.94 1x43 s LEU 36 CO 0.38 -0.19 -0.11 -0.76 0.23 0.00 0.00 176.35 175.90 1x43 s LEU 37 N -1.25 2.88 0.03 1.79 1.43 -1.26 0.15 118.68 122.44 1x43 s LEU 37 Ca -0.10 -0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 51.86 1x43 s LEU 37 Cb -0.08 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 1x43 s LEU 37 CO -0.00 0.02 1.01 0.00 0.23 0.00 0.00 176.35 177.61 1x43 s ALA 38 N -2.39 3.20 -0.36 4.21 0.00 -1.26 -3.57 121.76 121.59 1x43 s ALA 38 Ca 0.30 0.59 -0.02 0.00 0.00 0.00 0.00 51.96 52.83 1x43 s ALA 38 Cb -0.06 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1x43 s ALA 38 CO 0.17 -0.23 0.26 -0.25 0.00 0.00 0.00 175.76 175.72 1x43 n ASP 39 N 3.73 -3.01 -3.93 0.00 9.92 -0.95 -4.95 116.55 117.37 1x43 n ASP 39 Ca 0.06 -0.12 -0.19 0.00 -0.53 0.00 0.00 54.79 54.01 1x43 n ASP 39 Cb 0.50 -1.64 -0.16 0.00 -0.64 0.00 0.00 41.12 39.18 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 -5.20 0.76 -0.22 -1.24 -1.05 -1.23 -4.93 118.70 105.58 1x43 s GLU 40 Ca 0.13 -0.16 -0.05 0.00 -0.15 0.00 0.00 54.97 54.74 1x43 s GLU 40 Cb -0.06 -0.75 -0.02 0.00 -0.44 0.00 0.00 34.13 32.86 1x43 s GLU 40 CO 0.16 0.00 0.01 0.08 0.95 0.00 0.00 175.26 176.46 1x43 s VAL 41 N 0.54 3.87 0.47 1.83 1.01 -1.26 -0.06 120.40 126.81 1x43 s VAL 41 Ca -0.07 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1x43 s VAL 41 Cb -0.11 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 1x43 s VAL 41 CO 0.00 0.40 0.07 0.27 0.00 0.00 0.00 175.10 175.84 1x43 s ILE 42 N 1.35 1.64 -0.26 2.22 -4.36 -1.09 -4.94 121.20 115.76 1x43 s ILE 42 Ca 0.04 -1.91 -0.23 0.00 -0.26 0.00 0.00 60.65 58.29 1x43 s ILE 42 Cb -0.15 -2.56 -0.01 0.00 1.25 0.00 0.00 42.46 41.00 1x43 s ILE 42 CO 0.01 0.00 0.77 -0.89 0.24 0.00 0.00 174.94 175.07 1x43 s THR 43 N -2.77 4.86 0.04 8.37 2.01 -1.25 -3.14 115.64 123.76 1x43 s THR 43 Ca 0.23 1.36 0.09 0.00 0.31 0.00 0.00 61.69 63.68 1x43 s THR 43 Cb 0.04 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 1x43 s THR 43 CO 0.12 -0.09 -0.24 0.68 -0.69 0.00 0.00 174.62 174.40 1x43 s VAL 44 N 2.78 2.30 -0.11 3.82 -7.23 0.14 -1.28 120.40 120.82 1x43 s VAL 44 Ca 0.32 -1.31 -0.20 0.00 -1.81 0.00 0.00 61.98 58.98 1x43 s VAL 44 Cb -0.15 -1.91 0.05 0.00 0.56 0.00 0.00 36.38 34.93 1x43 s VAL 44 CO 0.09 0.38 0.49 0.72 -0.31 0.00 0.00 175.10 176.46 1x43 s PHE 45 N -0.82 -0.47 0.43 2.82 -0.71 -0.57 0.57 117.98 119.22 1x43 s PHE 45 Ca 0.12 1.00 -0.21 0.00 -1.04 0.00 0.00 56.93 56.81 1x43 s PHE 45 Cb -0.10 0.21 -0.11 0.00 -1.21 0.00 0.00 43.02 41.81 1x43 s PHE 45 CO 0.02 -0.37 0.94 -1.12 -1.34 0.00 0.00 175.22 173.35 1x43 s SER 46 N -0.48 6.92 0.02 1.98 0.01 -1.26 0.22 113.70 121.10 1x43 s SER 46 Ca -0.06 1.67 0.02 0.00 1.31 0.00 0.00 55.95 58.88 1x43 s SER 46 Cb -0.03 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 1x43 s SER 46 CO 0.04 -0.36 -0.06 -0.69 0.41 0.00 0.00 173.24 172.57 1x43 s VAL 47 N -2.19 0.45 0.23 3.43 1.01 -1.26 -4.92 120.40 117.14 1x43 s VAL 47 Ca 0.61 -0.61 -0.31 0.00 0.00 0.00 0.00 61.98 61.67 1x43 s VAL 47 Cb -0.09 -0.45 -0.14 0.00 0.00 0.00 0.00 36.38 35.70 1x43 s VAL 47 CO 0.14 -0.12 1.34 0.52 0.00 0.00 0.00 175.10 176.97 1x43 n VAL 48 N 2.26 1.01 -1.27 2.92 0.31 -1.26 -1.53 118.33 120.76 1x43 n VAL 48 Ca -0.18 -0.25 -0.03 0.00 -0.01 0.00 0.00 64.34 63.87 1x43 n VAL 48 Cb 0.57 -1.32 -0.01 0.00 -0.91 0.00 0.00 33.84 32.16 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 2.05 0.55 3.72 2.92 0.00 -1.26 -5.04 105.19 108.14 1x43 n GLY 49 Ca 0.12 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.63 2.62 0.44 1.61 0.00 -0.58 -5.12 119.30 115.65 1x43 s MET 50 Ca 0.00 -0.98 -0.14 0.00 0.00 0.00 0.00 55.69 54.57 1x43 s MET 50 Cb 0.00 -2.50 -0.08 0.00 0.00 0.00 0.00 34.83 32.26 1x43 s MET 50 CO 0.00 0.48 0.87 -0.51 0.00 0.00 0.00 175.02 175.86 1x43 s ASP 51 N -2.93 6.63 0.46 1.11 1.11 -1.26 -4.96 116.67 116.83 1x43 s ASP 51 Ca 0.29 1.38 0.30 0.00 0.18 0.00 0.00 52.55 54.70 1x43 s ASP 51 Cb -0.10 -2.43 1.24 0.00 1.07 0.00 0.00 42.92 42.70 1x43 s ASP 51 CO 0.20 -0.45 1.90 -1.28 1.18 0.00 0.00 175.17 176.72 1x43 h SER 52 N 1.28 0.00 -0.50 0.27 0.87 -1.99 -2.26 113.55 111.23 1x43 h SER 52 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1x43 h SER 52 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1x43 h SER 52 CO 0.63 0.00 0.00 0.47 -0.53 0.00 0.00 176.83 177.40 1x43 n ASP 53 N -2.82 3.73 -3.71 6.23 8.00 -1.26 -4.79 116.55 121.93 1x43 n ASP 53 Ca 0.01 -2.33 -0.11 0.00 0.71 0.00 0.00 54.79 53.06 1x43 n ASP 53 Cb 0.29 -0.50 -0.11 0.00 -0.02 0.00 0.00 41.12 40.77 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 -1.77 -0.53 0.40 1.24 0.52 -0.85 -2.74 118.94 115.22 1x43 s TRP 54 Ca 0.39 1.16 0.07 0.00 0.02 0.00 0.00 56.10 57.74 1x43 s TRP 54 Cb 0.25 0.21 -0.08 0.00 -1.15 0.00 0.00 33.47 32.70 1x43 s TRP 54 CO 0.19 -0.30 -0.00 -0.51 0.02 0.00 0.00 176.95 176.35 1x43 s LEU 55 N 1.17 2.87 -0.64 2.99 1.43 0.64 -4.33 118.68 122.81 1x43 s LEU 55 Ca -0.08 -1.32 -0.22 0.00 -1.03 0.00 0.00 54.13 51.48 1x43 s LEU 55 Cb -0.08 -0.94 0.07 0.00 0.03 0.00 0.00 46.19 45.27 1x43 s LEU 55 CO -0.10 -0.41 0.92 -0.32 0.23 0.00 0.00 176.35 176.68 1x43 s MET 56 N -3.70 3.12 0.12 1.70 1.75 0.13 -0.15 119.30 122.28 1x43 s MET 56 Ca 0.35 -0.85 -0.17 0.00 -1.25 0.00 0.00 55.69 53.77 1x43 s MET 56 Cb 0.08 -4.22 -0.07 0.00 2.84 0.00 0.00 34.83 33.47 1x43 s MET 56 CO 0.18 -1.75 0.58 0.20 -0.65 0.00 0.00 175.02 173.58 1x43 s GLY 57 N 3.58 2.57 -0.21 2.11 0.00 0.70 -1.52 107.32 114.56 1x43 s GLY 57 Ca 0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 44.72 44.88 1x43 s GLY 57 CO 0.10 0.32 0.02 1.85 0.00 0.00 0.00 173.10 175.40 1x43 s GLU 58 N -1.60 0.82 -0.39 2.90 2.12 -0.40 -1.73 118.70 120.42 1x43 s GLU 58 Ca 0.35 -0.54 -0.01 0.00 0.36 0.00 0.00 54.97 55.12 1x43 s GLU 58 Cb -0.17 -2.19 0.10 0.00 0.26 0.00 0.00 34.13 32.13 1x43 s GLU 58 CO 0.19 -0.65 0.16 0.50 -0.54 0.00 0.00 175.26 174.92 1x43 s ARG 59 N 1.77 1.91 3.20 4.30 3.52 0.06 -3.84 118.95 129.87 1x43 s ARG 59 Ca -0.01 -1.80 0.00 0.00 -0.13 0.00 0.00 55.73 53.78 1x43 s ARG 59 Cb -0.17 -3.48 0.00 0.00 -1.56 0.00 0.00 34.95 29.74 1x43 s ARG 59 CO -0.08 -1.02 0.00 0.41 -0.81 0.00 0.00 175.30 173.80 1x43 n GLY 60 N 4.52 0.53 2.14 8.12 0.00 -1.26 -1.87 105.19 117.37 1x43 n GLY 60 Ca -0.01 0.56 -0.21 0.00 0.00 0.00 0.00 46.02 46.36 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 6.09 4.46 -3.83 1.61 2.85 -1.26 -5.02 115.26 120.16 1x43 n ASN 61 Ca 0.00 -3.51 -0.12 0.00 -0.11 0.00 0.00 54.58 50.84 1x43 n ASN 61 Cb 0.00 -0.36 -0.12 0.00 1.24 0.00 0.00 39.78 40.54 1x43 n ASN 61 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1x43 s GLN 62 N -3.63 0.28 0.02 1.20 -0.21 -0.78 -5.16 119.66 111.38 1x43 s GLN 62 Ca 0.48 0.08 0.02 0.00 0.02 0.00 0.00 55.36 55.96 1x43 s GLN 62 Cb 0.40 0.13 -0.01 0.00 1.00 0.00 0.00 33.01 34.52 1x43 s GLN 62 CO 0.03 -0.05 -0.08 0.15 -2.12 0.00 0.00 175.29 173.22 1x43 s LYS 63 N -0.29 0.54 0.03 2.91 1.02 -1.26 -0.76 119.74 121.94 1x43 s LYS 63 Ca -0.04 -0.50 -0.27 0.00 0.02 0.00 0.00 55.97 55.17 1x43 s LYS 63 Cb -0.03 -0.44 0.10 0.00 -0.52 0.00 0.00 37.83 36.94 1x43 s LYS 63 CO 0.01 0.10 1.22 0.20 -0.92 0.00 0.00 175.35 175.96 1x43 s GLY 64 N -0.87 -0.16 -0.09 -3.33 0.00 -0.71 -4.78 107.32 97.39 1x43 s GLY 64 Ca -0.03 0.14 -0.26 0.00 0.00 0.00 0.00 44.72 44.57 1x43 s GLY 64 CO 0.00 3.19 0.84 0.54 0.00 0.00 0.00 173.10 177.67 1x43 s LYS 65 N -2.22 4.42 -0.07 2.90 1.02 -1.07 -0.21 119.74 124.51 1x43 s LYS 65 Ca 0.23 1.11 0.04 0.00 0.02 0.00 0.00 55.97 57.37 1x43 s LYS 65 Cb 0.01 -3.50 -0.02 0.00 -0.52 0.00 0.00 37.83 33.79 1x43 s LYS 65 CO -0.00 -0.13 -0.18 0.14 -0.92 0.00 0.00 175.35 174.26 1x43 s VAL 66 N 1.42 2.70 -0.08 3.17 -7.23 0.79 -3.10 120.40 118.08 1x43 s VAL 66 Ca 0.42 -0.83 -0.30 0.00 -1.81 0.00 0.00 61.98 59.46 1x43 s VAL 66 Cb -0.18 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 1x43 s VAL 66 CO 0.19 0.57 1.51 -2.16 -0.31 0.00 0.00 175.10 174.90 1x43 s PRO 67 N -0.32 4.21 0.44 4.82 0.04 -1.26 -0.26 135.00 142.67 1x43 s PRO 67 Ca 0.02 2.02 0.12 0.00 0.04 0.00 0.00 61.00 63.20 1x43 s PRO 67 Cb -0.13 -3.86 0.98 0.00 0.04 0.00 0.00 34.50 31.54 1x43 s PRO 67 CO 0.02 -0.77 2.02 0.82 0.04 0.00 0.00 177.00 179.14 1x43 h ILE 68 N 5.45 1.10 -0.06 0.56 5.03 -1.82 -1.64 117.51 126.13 1x43 h ILE 68 Ca -0.36 -0.43 0.02 0.00 -0.12 0.00 0.00 64.86 63.98 1x43 h ILE 68 Cb 1.16 1.06 -0.00 0.00 -3.03 0.00 0.00 36.82 36.01 1x43 h ILE 68 CO 0.95 0.14 0.09 0.71 -0.68 0.00 0.00 178.15 179.36 1x43 h THR 69 N 0.16 0.36 0.00 -0.27 1.35 -1.91 0.98 112.91 113.59 1x43 h THR 69 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 1x43 h THR 69 Cb 0.18 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 1x43 h THR 69 CO 0.01 0.00 -1.10 -1.22 -0.25 0.00 0.00 175.52 172.96 1x43 n TYR 70 N -3.60 0.13 -4.07 4.73 4.02 -0.63 -4.93 117.16 112.81 1x43 n TYR 70 Ca -0.01 0.04 -0.27 0.00 -0.01 0.00 0.00 57.90 57.64 1x43 n TYR 70 Cb 0.18 -0.30 -0.06 0.00 -0.02 0.00 0.00 39.34 39.14 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 -3.65 3.83 -0.48 7.72 1.43 0.34 -0.70 118.68 127.16 1x43 s LEU 71 Ca 0.04 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 1x43 s LEU 71 Cb 0.15 -2.45 0.16 0.00 0.03 0.00 0.00 46.19 44.07 1x43 s LEU 71 CO 0.83 0.09 0.33 -0.70 0.23 0.00 0.00 176.35 177.13 1x43 s GLU 72 N -2.94 1.35 -0.42 1.70 2.12 -0.76 -4.87 118.70 114.87 1x43 s GLU 72 Ca 0.31 -2.27 -0.41 0.00 0.36 0.00 0.00 54.97 52.95 1x43 s GLU 72 Cb -0.11 -2.16 -0.16 0.00 0.26 0.00 0.00 34.13 31.96 1x43 s GLU 72 CO 0.23 -1.27 2.04 1.28 -0.54 0.00 0.00 175.26 177.01 1x43 n LEU 73 N 3.00 1.49 -4.55 2.70 4.77 -1.26 -3.43 117.00 119.72 1x43 n LEU 73 Ca 0.19 0.70 -0.40 0.00 -0.03 0.00 0.00 56.01 56.47 1x43 n LEU 73 Cb 0.39 -1.05 -0.03 0.00 -2.33 0.00 0.00 43.42 40.40 1x43 n LEU 73 CO 0.18 -0.71 1.31 -0.76 -1.33 0.00 0.00 177.39 176.08 1x43 s LEU 74 N 5.77 3.22 0.14 2.23 1.43 -1.24 -4.94 118.68 125.28 1x43 s LEU 74 Ca 1.12 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 53.77 1x43 s LEU 74 Cb -1.23 -2.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.43 1x43 s LEU 74 CO 0.62 -1.97 0.25 0.20 0.23 0.00 0.00 176.35 175.68 1x43 s ASN 75 N 5.02 0.06 -0.55 2.29 -0.87 -1.26 -5.01 114.94 114.62 1x43 s ASN 75 Ca 0.45 -0.78 -0.15 0.00 -1.57 0.00 0.00 52.86 50.81 1x43 s ASN 75 Cb -0.08 0.40 0.13 0.00 -0.02 0.00 0.00 41.25 41.68 1x43 s ASN 75 CO 0.14 -0.83 0.50 -0.44 -2.57 0.00 0.00 177.10 173.89 1x43 s SER 76 N -2.93 6.17 0.44 -1.22 0.01 -1.26 -5.05 113.70 109.86 1x43 s SER 76 Ca 0.12 -1.85 0.06 0.00 1.31 0.00 0.00 55.95 55.60 1x43 s SER 76 Cb 0.04 -2.19 -0.03 0.00 0.21 0.00 0.00 66.02 64.04 1x43 s SER 76 CO -0.04 -0.83 0.20 -0.83 0.41 0.00 0.00 173.24 172.15 1x43 s GLY 77 N 3.42 2.40 1.02 3.44 0.00 -1.26 -5.14 107.32 111.21 1x43 s GLY 77 Ca 0.04 -1.82 -0.13 0.00 0.00 0.00 0.00 44.72 42.82 1x43 s GLY 77 CO 0.02 -1.94 1.09 2.56 0.00 0.00 0.00 173.10 174.83 1x43 s PRO 78 N -3.96 0.25 -0.05 2.90 0.04 -1.26 -4.89 135.00 128.02 1x43 s PRO 78 Ca 0.37 0.46 -0.02 0.00 0.04 0.00 0.00 61.00 61.85 1x43 s PRO 78 Cb 0.03 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.81 1x43 s PRO 78 CO 0.21 -2.84 2.39 0.43 0.04 0.00 0.00 177.00 177.23 1x43 n SER 79 N -4.24 5.50 -4.83 6.66 7.64 -1.26 -4.87 113.62 118.21 1x43 n SER 79 Ca 0.05 -2.53 -0.33 0.00 1.01 0.00 0.00 58.87 57.07 1x43 n SER 79 Cb 0.57 -1.19 -0.06 0.00 -1.01 0.00 0.00 64.21 62.52 1x43 n SER 79 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x43 s SER 80 N 1.73 5.99 0.00 6.43 1.04 -1.26 -5.38 113.70 122.24 1x43 s SER 80 Ca 0.21 0.25 0.27 0.00 0.48 0.00 0.00 55.95 57.16 1x43 s SER 80 Cb 0.11 -1.80 0.90 0.00 0.10 0.00 0.00 66.02 65.33 1x43 s SER 80 CO -0.01 0.28 1.66 0.61 0.98 0.00 0.00 173.24 176.76