#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 -0.49 -4.71 1.61 7.64 -1.26 -4.86 113.62 111.55 1x43 n SER 2 Ca 0.00 -1.09 -0.37 0.00 1.01 0.00 0.00 58.87 58.42 1x43 n SER 2 Cb 0.00 -2.55 0.07 0.00 -1.01 0.00 0.00 64.21 60.72 1x43 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x43 n SER 3 N -2.89 1.92 0.00 6.43 2.88 -1.26 -5.01 113.62 115.69 1x43 n SER 3 Ca -0.24 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 1x43 n SER 3 Cb 0.65 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 1x43 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x43 n GLY 4 N 0.97 2.59 3.80 0.46 0.00 -1.26 -5.19 105.19 106.55 1x43 n GLY 4 Ca 0.16 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 1.00 -0.20 0.00 1.61 1.04 -1.26 -5.09 113.70 110.79 1x43 s SER 5 Ca 0.00 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1x43 s SER 5 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1x43 s SER 5 CO 0.00 -1.07 0.00 -1.54 0.98 0.00 0.00 173.24 171.61 1x43 n SER 6 N -0.48 0.10 0.00 7.02 3.41 -1.26 -5.09 113.62 117.32 1x43 n SER 6 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1x43 n SER 6 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1x43 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x43 n GLY 7 N 2.51 -0.47 3.54 5.00 0.00 -1.26 -5.01 105.19 109.50 1x43 n GLY 7 Ca 0.00 0.29 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 1x43 n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x43 n LEU 8 N 0.00 -3.63 -3.76 0.99 4.32 -1.26 -5.01 117.00 108.65 1x43 n LEU 8 Ca 0.00 -0.57 -0.13 0.00 -0.02 0.00 0.00 56.01 55.29 1x43 n LEU 8 Cb 0.00 -3.07 -0.12 0.00 -1.62 0.00 0.00 43.42 38.61 1x43 n LEU 8 CO 0.00 0.55 -0.12 0.20 -1.22 0.00 0.00 177.39 176.80 1x43 s ASN 9 N -3.71 -0.25 -0.37 -1.43 0.01 -1.26 -5.05 114.94 102.89 1x43 s ASN 9 Ca 0.37 0.48 0.06 0.00 -0.71 0.00 0.00 52.86 53.06 1x43 s ASN 9 Cb -0.16 0.43 0.45 0.00 0.41 0.00 0.00 41.25 42.37 1x43 s ASN 9 CO 0.73 -0.12 1.26 0.47 -1.51 0.00 0.00 177.10 177.93 1x43 n ASP 10 N 3.62 5.18 -4.90 -1.22 9.92 -1.26 -5.04 116.55 122.85 1x43 n ASP 10 Ca -0.19 -3.75 -0.20 0.00 -0.53 0.00 0.00 54.79 50.12 1x43 n ASP 10 Cb 0.56 -0.43 -0.02 0.00 -0.64 0.00 0.00 41.12 40.58 1x43 n ASP 10 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1x43 s LEU 11 N -3.62 3.43 -0.34 0.64 1.02 -1.26 -5.11 118.68 113.45 1x43 s LEU 11 Ca 0.52 -0.69 0.01 0.00 0.02 0.00 0.00 54.13 53.98 1x43 s LEU 11 Cb 0.42 -2.15 0.11 0.00 0.02 0.00 0.00 46.19 44.58 1x43 s LEU 11 CO -0.02 -0.67 0.11 -0.54 0.02 0.00 0.00 176.35 175.25 1x43 s LYS 12 N -4.16 1.00 0.04 1.70 1.02 -1.26 -5.12 119.74 112.96 1x43 s LYS 12 Ca 0.49 -1.42 -0.02 0.00 0.02 0.00 0.00 55.97 55.04 1x43 s LYS 12 Cb -0.04 -2.35 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 1x43 s LYS 12 CO 0.29 -1.00 0.22 -1.21 -0.92 0.00 0.00 175.35 172.73 1x43 s GLU 13 N 1.23 3.47 0.59 1.68 2.02 -1.26 -5.10 118.70 121.34 1x43 s GLU 13 Ca 0.11 -0.34 -0.13 0.00 0.02 0.00 0.00 54.97 54.63 1x43 s GLU 13 Cb -0.19 -3.04 -0.05 0.00 0.10 0.00 0.00 34.13 30.96 1x43 s GLU 13 CO -0.17 0.62 1.02 -1.12 0.02 0.00 0.00 175.26 175.63 1x43 s SER 14 N -2.27 6.19 -1.06 -0.19 0.01 -1.26 -4.98 113.70 110.14 1x43 s SER 14 Ca 0.33 1.53 -0.02 0.00 1.31 0.00 0.00 55.95 59.11 1x43 s SER 14 Cb -0.13 -2.49 0.29 0.00 0.21 0.00 0.00 66.02 63.90 1x43 s SER 14 CO 0.24 -0.89 1.92 -1.20 0.41 0.00 0.00 173.24 173.71 1x43 n SER 15 N -2.36 7.46 -2.41 2.44 7.64 -1.26 -4.79 113.62 120.34 1x43 n SER 15 Ca 0.07 -3.62 -0.27 0.00 1.01 0.00 0.00 58.87 56.05 1x43 n SER 15 Cb 0.54 -1.19 -0.01 0.00 -1.01 0.00 0.00 64.21 62.53 1x43 n SER 15 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1x43 n ASN 16 N 0.16 6.71 -4.04 6.43 4.13 -1.26 -4.89 115.26 122.50 1x43 n ASN 16 Ca 0.49 -3.30 -0.11 0.00 1.68 0.00 0.00 54.58 53.34 1x43 n ASN 16 Cb 0.26 -1.15 -0.11 0.00 -1.54 0.00 0.00 39.78 37.23 1x43 n ASN 16 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1x43 s ASN 17 N -0.04 0.60 0.52 6.41 6.03 -1.26 -5.08 114.94 122.13 1x43 s ASN 17 Ca 0.53 -0.58 -0.00 0.00 -1.03 0.00 0.00 52.86 51.78 1x43 s ASN 17 Cb 0.37 0.07 0.02 0.00 -3.03 0.00 0.00 41.25 38.68 1x43 s ASN 17 CO -0.19 -0.28 0.76 -0.13 -2.03 0.00 0.00 177.10 175.24 1x43 s ARG 18 N -1.78 2.76 0.18 3.55 1.81 0.49 -4.93 118.95 121.04 1x43 s ARG 18 Ca -0.10 -0.56 0.02 0.00 -1.72 0.00 0.00 55.73 53.37 1x43 s ARG 18 Cb -0.08 -2.48 -0.05 0.00 -0.45 0.00 0.00 34.95 31.89 1x43 s ARG 18 CO -0.01 -0.57 -0.01 0.15 -0.68 0.00 0.00 175.30 174.18 1x43 s LYS 19 N -4.73 1.15 -0.26 3.54 -0.14 -1.26 0.38 119.74 118.43 1x43 s LYS 19 Ca 0.54 -1.56 -0.28 0.00 -1.36 0.00 0.00 55.97 53.31 1x43 s LYS 19 Cb -0.10 -0.38 0.17 0.00 -1.68 0.00 0.00 37.83 35.84 1x43 s LYS 19 CO 0.39 -0.10 1.25 0.00 -0.76 0.00 0.00 175.35 176.13 1x43 s ALA 20 N -3.57 -2.08 0.01 5.17 0.00 -1.12 -3.63 121.76 116.53 1x43 s ALA 20 Ca 0.24 1.77 -0.02 0.00 0.00 0.00 0.00 51.96 53.95 1x43 s ALA 20 Cb 0.06 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1x43 s ALA 20 CO 0.05 -0.22 0.19 0.50 0.00 0.00 0.00 175.76 176.27 1x43 s ARG 21 N -0.66 3.44 0.10 0.00 3.52 -1.23 -2.26 118.95 121.87 1x43 s ARG 21 Ca 0.05 -0.35 -0.24 0.00 -0.13 0.00 0.00 55.73 55.06 1x43 s ARG 21 Cb -0.02 -3.08 -0.07 0.00 -1.56 0.00 0.00 34.95 30.22 1x43 s ARG 21 CO -0.07 0.66 0.75 0.08 -0.81 0.00 0.00 175.30 175.91 1x43 s VAL 22 N -1.37 4.56 -0.11 7.11 1.01 0.15 -0.23 120.40 131.52 1x43 s VAL 22 Ca 0.29 1.62 0.20 0.00 0.00 0.00 0.00 61.98 64.09 1x43 s VAL 22 Cb -0.13 -4.10 -0.27 0.00 0.00 0.00 0.00 36.38 31.89 1x43 s VAL 22 CO 0.21 0.46 0.41 0.18 0.00 0.00 0.00 175.10 176.36 1x43 n LEU 23 N 2.12 0.15 -3.78 3.92 4.77 0.71 -2.00 117.00 122.89 1x43 n LEU 23 Ca -0.05 0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 1x43 n LEU 23 Cb 0.50 0.19 -0.11 0.00 -2.33 0.00 0.00 43.42 41.67 1x43 n LEU 23 CO 0.46 0.19 -0.05 -0.31 -1.33 0.00 0.00 177.39 176.35 1x43 s TYR 24 N -3.06 -0.24 0.58 -1.77 1.51 -1.26 -4.76 117.35 108.35 1x43 s TYR 24 Ca -0.08 0.54 -0.20 0.00 -1.01 0.00 0.00 57.07 56.32 1x43 s TYR 24 Cb 0.10 0.08 -0.04 0.00 -0.11 0.00 0.00 41.96 42.00 1x43 s TYR 24 CO 0.86 -0.22 1.30 0.34 -1.11 0.00 0.00 175.55 176.72 1x43 s ASP 25 N -0.35 5.09 0.02 2.29 -1.08 -1.26 -4.56 116.67 116.82 1x43 s ASP 25 Ca -0.05 2.62 0.01 0.00 -0.52 0.00 0.00 52.55 54.61 1x43 s ASP 25 Cb -0.03 -2.62 -0.02 0.00 -1.46 0.00 0.00 42.92 38.79 1x43 s ASP 25 CO 0.01 -1.68 -0.03 -0.47 0.52 0.00 0.00 175.17 173.52 1x43 s TYR 26 N -1.40 0.30 -0.33 -5.34 5.04 -0.81 -4.95 117.35 109.84 1x43 s TYR 26 Ca 0.76 -0.39 0.01 0.00 -2.44 0.00 0.00 57.07 55.01 1x43 s TYR 26 Cb -0.37 -0.20 0.08 0.00 0.35 0.00 0.00 41.96 41.83 1x43 s TYR 26 CO 0.41 -0.12 0.04 -0.51 -1.34 0.00 0.00 175.55 174.04 1x43 s ASP 27 N -1.10 4.85 0.00 4.32 1.01 -1.26 -1.63 116.67 122.85 1x43 s ASP 27 Ca -0.11 -1.78 -0.37 0.00 0.71 0.00 0.00 52.55 51.00 1x43 s ASP 27 Cb -0.07 -1.68 -0.16 0.00 1.01 0.00 0.00 42.92 42.01 1x43 s ASP 27 CO -0.00 -0.35 1.44 0.00 0.21 0.00 0.00 175.17 176.46 1x43 n ALA 28 N 4.45 -0.77 0.13 5.23 0.00 -1.26 -4.88 120.51 123.41 1x43 n ALA 28 Ca -0.05 0.49 -0.21 0.00 0.00 0.00 0.00 53.44 53.66 1x43 n ALA 28 Cb 0.42 -2.11 -0.15 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 5.21 -0.04 -2.23 0.00 0.00 -1.92 -3.48 119.26 116.79 1x43 h ALA 29 Ca -0.47 -0.90 -0.24 0.00 0.00 0.00 0.00 54.91 53.30 1x43 h ALA 29 Cb 1.33 0.14 -0.15 0.00 0.00 0.00 0.00 17.79 19.11 1x43 h ALA 29 CO 0.82 0.82 -0.70 0.54 0.00 0.00 0.00 179.25 180.74 1x43 s ASN 30 N -7.40 1.26 0.16 0.00 6.03 -1.26 -5.04 114.94 108.68 1x43 s ASN 30 Ca -0.08 -1.01 -0.31 0.00 -1.03 0.00 0.00 52.86 50.43 1x43 s ASN 30 Cb 0.05 0.08 -0.07 0.00 -3.03 0.00 0.00 41.25 38.28 1x43 s ASN 30 CO 0.92 -0.44 1.54 0.77 -2.03 0.00 0.00 177.10 177.86 1x43 h SER 31 N 2.93 -2.11 -1.25 3.54 4.64 -2.00 0.67 113.55 119.97 1x43 h SER 31 Ca -0.35 0.32 0.45 0.00 -0.47 0.00 0.00 61.79 61.73 1x43 h SER 31 Cb 1.17 0.93 -0.14 0.00 -0.31 0.00 0.00 62.40 64.04 1x43 h SER 31 CO 0.65 -0.26 0.78 0.35 -0.87 0.00 0.00 176.83 177.48 1x43 n THR 32 N -5.27 -0.28 -3.13 2.95 -2.24 -1.26 -4.30 114.28 100.74 1x43 n THR 32 Ca 0.01 1.81 -0.32 0.00 -2.27 0.00 0.00 64.05 63.28 1x43 n THR 32 Cb 0.27 -2.95 -0.06 0.00 -2.10 0.00 0.00 70.33 65.49 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 -5.27 3.97 0.09 -0.78 2.02 0.23 0.98 118.70 119.94 1x43 s GLU 33 Ca -0.08 0.63 0.09 0.00 0.02 0.00 0.00 54.97 55.63 1x43 s GLU 33 Cb 0.31 -2.44 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 1x43 s GLU 33 CO 0.79 0.15 -0.22 -0.51 0.02 0.00 0.00 175.26 175.48 1x43 s LEU 34 N -3.06 2.48 0.51 1.80 1.43 -1.13 -4.68 118.68 116.04 1x43 s LEU 34 Ca 0.54 -0.58 -0.19 0.00 -1.03 0.00 0.00 54.13 52.87 1x43 s LEU 34 Cb -0.10 -1.41 -0.07 0.00 0.03 0.00 0.00 46.19 44.64 1x43 s LEU 34 CO 0.19 0.22 1.04 -0.55 0.23 0.00 0.00 176.35 177.48 1x43 s SER 35 N -1.76 6.21 0.15 2.29 0.15 -1.26 -4.23 113.70 115.25 1x43 s SER 35 Ca 0.15 1.90 0.08 0.00 0.70 0.00 0.00 55.95 58.78 1x43 s SER 35 Cb -0.10 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 1x43 s SER 35 CO 0.06 -0.87 -0.18 -0.76 1.20 0.00 0.00 173.24 172.69 1x43 s LEU 36 N -3.73 2.40 -0.02 3.45 1.43 -0.65 -4.95 118.68 116.62 1x43 s LEU 36 Ca 0.66 -0.82 0.06 0.00 -1.03 0.00 0.00 54.13 53.00 1x43 s LEU 36 Cb -0.16 -0.80 -0.01 0.00 0.03 0.00 0.00 46.19 45.24 1x43 s LEU 36 CO 0.24 -0.03 -0.19 -0.76 0.23 0.00 0.00 176.35 175.84 1x43 s LEU 37 N -2.47 2.03 0.18 1.79 1.43 -1.26 -1.93 118.68 118.45 1x43 s LEU 37 Ca 0.13 -0.34 -0.32 0.00 -1.03 0.00 0.00 54.13 52.57 1x43 s LEU 37 Cb -0.07 -0.98 -0.11 0.00 0.03 0.00 0.00 46.19 45.07 1x43 s LEU 37 CO 0.06 0.23 1.69 0.00 0.23 0.00 0.00 176.35 178.55 1x43 s ALA 38 N -0.41 3.87 -0.55 4.21 0.00 -1.26 -2.59 121.76 125.04 1x43 s ALA 38 Ca 0.06 1.51 -0.02 0.00 0.00 0.00 0.00 51.96 53.51 1x43 s ALA 38 Cb -0.08 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1x43 s ALA 38 CO -0.00 -0.92 0.47 -0.25 0.00 0.00 0.00 175.76 175.05 1x43 n ASP 39 N 4.21 -2.99 -3.98 0.00 9.92 -0.85 -4.99 116.55 117.88 1x43 n ASP 39 Ca 0.16 -0.25 -0.21 0.00 -0.53 0.00 0.00 54.79 53.96 1x43 n ASP 39 Cb 0.37 -2.45 -0.16 0.00 -0.64 0.00 0.00 41.12 38.24 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 -5.10 1.10 -0.29 -1.24 -1.05 -1.07 -4.91 118.70 106.14 1x43 s GLU 40 Ca 0.13 -0.27 -0.04 0.00 -0.15 0.00 0.00 54.97 54.64 1x43 s GLU 40 Cb -0.06 -1.00 0.03 0.00 -0.44 0.00 0.00 34.13 32.66 1x43 s GLU 40 CO 0.31 0.04 0.03 0.54 0.95 0.00 0.00 175.26 177.12 1x43 s VAL 41 N 0.51 3.42 0.50 1.83 0.11 -1.26 0.33 120.40 125.84 1x43 s VAL 41 Ca -0.08 -0.99 0.04 0.00 -2.93 0.00 0.00 61.98 58.01 1x43 s VAL 41 Cb -0.12 -2.82 -0.01 0.00 -1.53 0.00 0.00 36.38 31.90 1x43 s VAL 41 CO 0.01 0.04 0.15 0.27 -3.33 0.00 0.00 175.10 172.24 1x43 s ILE 42 N 1.38 1.54 -0.21 7.04 -4.36 -0.96 -4.92 121.20 120.72 1x43 s ILE 42 Ca -0.00 -1.80 -0.23 0.00 -0.26 0.00 0.00 60.65 58.36 1x43 s ILE 42 Cb -0.18 -2.34 -0.02 0.00 1.25 0.00 0.00 42.46 41.17 1x43 s ILE 42 CO -0.00 0.00 0.75 -0.89 0.24 0.00 0.00 174.94 175.04 1x43 s THR 43 N -2.79 4.92 0.14 8.37 2.01 -1.25 -2.81 115.64 124.23 1x43 s THR 43 Ca 0.22 1.42 0.10 0.00 0.31 0.00 0.00 61.69 63.74 1x43 s THR 43 Cb 0.01 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 1x43 s THR 43 CO 0.13 0.02 -0.21 0.68 -0.69 0.00 0.00 174.62 174.54 1x43 s VAL 44 N 2.32 2.59 -0.19 3.82 -7.23 0.16 -1.51 120.40 120.37 1x43 s VAL 44 Ca 0.33 -1.70 -0.28 0.00 -1.81 0.00 0.00 61.98 58.52 1x43 s VAL 44 Cb -0.16 -2.20 0.10 0.00 0.56 0.00 0.00 36.38 34.68 1x43 s VAL 44 CO 0.10 0.04 0.86 0.72 -0.31 0.00 0.00 175.10 176.51 1x43 s PHE 45 N -1.27 -0.57 0.79 2.82 -0.71 -0.61 -0.38 117.98 118.06 1x43 s PHE 45 Ca 0.18 1.21 -0.11 0.00 -1.04 0.00 0.00 56.93 57.16 1x43 s PHE 45 Cb -0.10 0.37 0.07 0.00 -1.21 0.00 0.00 43.02 42.15 1x43 s PHE 45 CO 0.09 -0.39 1.09 -1.54 -1.34 0.00 0.00 175.22 173.13 1x43 s SER 46 N -0.41 4.53 -0.16 1.98 1.04 -1.26 0.53 113.70 119.94 1x43 s SER 46 Ca -0.02 1.38 -0.23 0.00 0.48 0.00 0.00 55.95 57.56 1x43 s SER 46 Cb -0.03 -2.13 0.06 0.00 0.10 0.00 0.00 66.02 64.02 1x43 s SER 46 CO 0.01 -1.96 0.58 -0.69 0.98 0.00 0.00 173.24 172.17 1x43 s VAL 47 N -3.11 0.01 0.52 5.02 1.01 -1.26 -4.83 120.40 117.76 1x43 s VAL 47 Ca 0.61 -0.06 -0.20 0.00 0.00 0.00 0.00 61.98 62.33 1x43 s VAL 47 Cb -0.15 -0.85 -0.09 0.00 0.00 0.00 0.00 36.38 35.29 1x43 s VAL 47 CO 0.55 -0.03 0.66 0.52 0.00 0.00 0.00 175.10 176.80 1x43 n VAL 48 N 2.14 2.39 -2.22 2.92 0.31 -1.26 -1.88 118.33 120.73 1x43 n VAL 48 Ca -0.16 -0.50 -0.19 0.00 -0.01 0.00 0.00 64.34 63.49 1x43 n VAL 48 Cb 0.56 -0.79 -0.02 0.00 -0.91 0.00 0.00 33.84 32.68 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 1.63 -0.03 3.61 2.92 0.00 -1.26 -4.99 105.19 107.07 1x43 n GLY 49 Ca 0.12 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.70 2.20 0.34 1.61 0.00 -0.79 -5.13 119.30 112.82 1x43 s MET 50 Ca 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 55.69 54.33 1x43 s MET 50 Cb 0.00 -2.18 -0.05 0.00 0.00 0.00 0.00 34.83 32.61 1x43 s MET 50 CO 0.00 0.41 0.59 -0.51 0.00 0.00 0.00 175.02 175.51 1x43 s ASP 51 N -3.21 6.38 0.55 1.11 1.01 -1.26 -4.98 116.67 116.27 1x43 s ASP 51 Ca 0.28 0.69 0.34 0.00 0.71 0.00 0.00 52.55 54.57 1x43 s ASP 51 Cb -0.08 -2.14 1.38 0.00 1.01 0.00 0.00 42.92 43.10 1x43 s ASP 51 CO 0.18 -0.28 1.99 -1.28 0.21 0.00 0.00 175.17 175.98 1x43 h SER 52 N 1.21 0.00 -0.47 0.27 0.87 -2.00 -2.30 113.55 111.13 1x43 h SER 52 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1x43 h SER 52 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1x43 h SER 52 CO 0.64 0.01 0.00 0.47 -0.53 0.00 0.00 176.83 177.42 1x43 n ASP 53 N -3.11 4.24 -3.69 6.23 8.00 -1.26 -4.81 116.55 122.15 1x43 n ASP 53 Ca 0.00 -2.54 -0.10 0.00 0.71 0.00 0.00 54.79 52.86 1x43 n ASP 53 Cb 0.30 -0.58 -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 -2.08 -0.64 0.29 1.24 0.52 -0.87 -2.90 118.94 114.50 1x43 s TRP 54 Ca 0.41 1.35 0.10 0.00 0.02 0.00 0.00 56.10 57.98 1x43 s TRP 54 Cb 0.29 0.29 -0.05 0.00 -1.15 0.00 0.00 33.47 32.85 1x43 s TRP 54 CO 0.15 -0.36 -0.15 -0.51 0.02 0.00 0.00 176.95 176.10 1x43 s LEU 55 N 1.45 2.62 -0.68 2.99 1.43 0.43 -4.27 118.68 122.65 1x43 s LEU 55 Ca -0.09 -1.09 -0.27 0.00 -1.03 0.00 0.00 54.13 51.64 1x43 s LEU 55 Cb -0.08 -0.99 0.02 0.00 0.03 0.00 0.00 46.19 45.17 1x43 s LEU 55 CO -0.13 -0.09 1.37 -0.32 0.23 0.00 0.00 176.35 177.41 1x43 s MET 56 N -3.57 3.16 0.10 1.70 1.75 0.19 -0.16 119.30 122.47 1x43 s MET 56 Ca 0.30 0.02 -0.11 0.00 -1.25 0.00 0.00 55.69 54.64 1x43 s MET 56 Cb -0.02 -4.18 -0.06 0.00 2.84 0.00 0.00 34.83 33.41 1x43 s MET 56 CO 0.14 -2.16 0.45 0.20 -0.65 0.00 0.00 175.02 173.00 1x43 s GLY 57 N 4.36 2.38 -0.20 2.11 0.00 -0.33 -1.57 107.32 114.06 1x43 s GLY 57 Ca 0.43 -0.30 -0.01 0.00 0.00 0.00 0.00 44.72 44.84 1x43 s GLY 57 CO 0.18 -0.07 -0.03 1.85 0.00 0.00 0.00 173.10 175.03 1x43 s GLU 58 N -1.94 1.31 0.02 2.90 2.12 -0.57 -1.90 118.70 120.65 1x43 s GLU 58 Ca 0.35 -0.70 -0.10 0.00 0.36 0.00 0.00 54.97 54.87 1x43 s GLU 58 Cb -0.14 -2.29 0.01 0.00 0.26 0.00 0.00 34.13 31.96 1x43 s GLU 58 CO 0.18 -0.56 0.21 0.50 -0.54 0.00 0.00 175.26 175.05 1x43 s ARG 59 N 1.59 0.63 -1.27 4.30 3.52 0.18 -3.86 118.95 124.04 1x43 s ARG 59 Ca -0.03 -0.47 -0.26 0.00 -0.13 0.00 0.00 55.73 54.85 1x43 s ARG 59 Cb -0.17 0.27 0.03 0.00 -1.56 0.00 0.00 34.95 33.51 1x43 s ARG 59 CO -0.07 -0.17 0.57 0.41 -0.81 0.00 0.00 175.30 175.22 1x43 n GLY 60 N 1.02 -0.70 2.60 8.12 0.00 -1.26 0.11 105.19 115.08 1x43 n GLY 60 Ca -0.21 0.31 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.38 -2.33 -4.21 1.61 3.02 -1.26 -4.90 115.26 104.81 1x43 n ASN 61 Ca -0.16 0.27 -0.16 0.00 -0.03 0.00 0.00 54.58 54.50 1x43 n ASN 61 Cb 0.60 -2.05 -0.11 0.00 -0.61 0.00 0.00 39.78 37.60 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 -5.15 0.94 0.05 3.52 -0.21 0.30 -5.16 119.66 113.94 1x43 s GLN 62 Ca 0.05 -1.22 0.03 0.00 0.02 0.00 0.00 55.36 54.24 1x43 s GLN 62 Cb -0.03 -0.68 -0.02 0.00 1.00 0.00 0.00 33.01 33.28 1x43 s GLN 62 CO 0.07 0.11 -0.10 0.15 -2.12 0.00 0.00 175.29 173.40 1x43 s LYS 63 N -2.87 0.62 0.00 2.91 1.02 -1.26 -0.64 119.74 119.53 1x43 s LYS 63 Ca 0.08 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.29 1x43 s LYS 63 Cb -0.03 -0.48 0.00 0.00 -0.52 0.00 0.00 37.83 36.80 1x43 s LYS 63 CO 0.01 0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.95 1x43 n GLY 64 N 1.51 1.03 3.68 -3.33 0.00 -0.80 -4.84 105.19 102.45 1x43 n GLY 64 Ca -0.22 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.15 4.12 -0.09 1.61 1.02 0.27 -1.19 119.74 125.34 1x43 s LYS 65 Ca 0.00 -0.16 0.02 0.00 0.02 0.00 0.00 55.97 55.85 1x43 s LYS 65 Cb 0.00 -3.51 -0.02 0.00 -0.52 0.00 0.00 37.83 33.78 1x43 s LYS 65 CO 0.00 0.10 -0.16 0.14 -0.92 0.00 0.00 175.35 174.50 1x43 s VAL 66 N 0.94 2.81 -0.06 3.17 -7.23 0.78 -2.83 120.40 117.99 1x43 s VAL 66 Ca 0.10 -0.77 -0.30 0.00 -1.81 0.00 0.00 61.98 59.20 1x43 s VAL 66 Cb -0.13 -2.13 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 1x43 s VAL 66 CO 0.04 0.55 1.50 -2.16 -0.31 0.00 0.00 175.10 174.72 1x43 s PRO 67 N -0.06 4.22 0.35 4.82 0.04 -1.26 -0.43 135.00 142.68 1x43 s PRO 67 Ca -0.04 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.06 1x43 s PRO 67 Cb -0.14 -3.81 0.63 0.00 0.04 0.00 0.00 34.50 31.23 1x43 s PRO 67 CO 0.04 -0.74 1.91 0.82 0.04 0.00 0.00 177.00 179.08 1x43 h ILE 68 N 5.34 1.18 0.00 0.56 5.03 -1.84 -1.69 117.51 126.09 1x43 h ILE 68 Ca -0.36 -0.64 0.00 0.00 -0.12 0.00 0.00 64.86 63.74 1x43 h ILE 68 Cb 1.16 0.79 0.00 0.00 -3.03 0.00 0.00 36.82 35.74 1x43 h ILE 68 CO 0.94 0.23 0.11 0.35 -0.68 0.00 0.00 178.15 179.11 1x43 n THR 69 N -4.33 0.91 0.52 -0.27 -2.24 -1.26 0.23 114.28 107.84 1x43 n THR 69 Ca 0.02 0.73 0.06 0.00 -2.27 0.00 0.00 64.05 62.59 1x43 n THR 69 Cb 0.19 -1.73 -0.03 0.00 -2.10 0.00 0.00 70.33 66.67 1x43 n THR 69 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1x43 n TYR 70 N -2.15 0.00 -4.61 4.78 4.02 -0.65 -4.94 117.16 113.60 1x43 n TYR 70 Ca -0.01 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.56 1x43 n TYR 70 Cb 0.14 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.34 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 -2.04 2.96 -0.63 7.72 1.43 0.14 -0.21 118.68 128.05 1x43 s LEU 71 Ca 0.08 -0.20 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 1x43 s LEU 71 Cb 0.09 -1.68 0.15 0.00 0.03 0.00 0.00 46.19 44.78 1x43 s LEU 71 CO 0.35 0.30 0.41 -0.70 0.23 0.00 0.00 176.35 176.94 1x43 s GLU 72 N -1.20 2.26 -0.68 1.70 2.12 0.68 -4.85 118.70 118.74 1x43 s GLU 72 Ca 0.15 -3.06 -0.37 0.00 0.36 0.00 0.00 54.97 52.05 1x43 s GLU 72 Cb -0.11 -3.36 -0.19 0.00 0.26 0.00 0.00 34.13 30.73 1x43 s GLU 72 CO 0.05 -1.22 2.26 1.28 -0.54 0.00 0.00 175.26 177.09 1x43 n LEU 73 N 2.40 0.53 -4.77 2.70 4.77 -1.26 -3.47 117.00 117.91 1x43 n LEU 73 Ca 0.14 0.44 -0.36 0.00 -0.03 0.00 0.00 56.01 56.21 1x43 n LEU 73 Cb 0.34 -0.86 0.01 0.00 -2.33 0.00 0.00 43.42 40.58 1x43 n LEU 73 CO 0.29 -0.71 0.83 -0.76 -1.33 0.00 0.00 177.39 175.71 1x43 s LEU 74 N 6.91 3.80 -0.97 2.23 1.43 -1.24 -4.95 118.68 125.90 1x43 s LEU 74 Ca 1.20 2.31 -0.18 0.00 -1.03 0.00 0.00 54.13 56.43 1x43 s LEU 74 Cb -1.33 -4.48 0.13 0.00 0.03 0.00 0.00 46.19 40.55 1x43 s LEU 74 CO 0.56 -1.27 1.17 0.54 0.23 0.00 0.00 176.35 177.58 1x43 s ASN 75 N -1.56 6.68 -0.52 2.29 4.22 -1.26 -4.88 114.94 119.92 1x43 s ASN 75 Ca 0.72 -2.14 -0.03 0.00 -2.14 0.00 0.00 52.86 49.26 1x43 s ASN 75 Cb -0.28 -2.40 0.15 0.00 1.28 0.00 0.00 41.25 39.99 1x43 s ASN 75 CO 0.32 -1.04 2.53 -1.54 -2.04 0.00 0.00 177.10 175.33 1x43 n SER 76 N 6.50 6.71 0.00 3.54 3.41 -1.26 -4.87 113.62 127.66 1x43 n SER 76 Ca 0.26 -3.33 0.00 0.00 -0.26 0.00 0.00 58.87 55.54 1x43 n SER 76 Cb 0.48 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1x43 n SER 76 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x43 n GLY 77 N 0.49 4.29 0.12 5.00 0.00 -1.26 -4.99 105.19 108.85 1x43 n GLY 77 Ca 0.48 -2.03 0.12 0.00 0.00 0.00 0.00 46.02 44.59 1x43 n GLY 77 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x43 n PRO 78 N 0.00 0.18 -1.29 1.61 -0.04 -1.26 -4.81 135.00 129.39 1x43 n PRO 78 Ca 0.00 0.42 -0.57 0.00 -0.04 0.00 0.00 63.50 63.31 1x43 n PRO 78 Cb 0.00 -1.85 -0.12 0.00 -0.04 0.00 0.00 33.50 31.49 1x43 n PRO 78 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x43 n SER 79 N -2.20 0.85 -4.82 3.54 2.88 -1.26 -4.88 113.62 107.73 1x43 n SER 79 Ca 0.02 0.60 -0.32 0.00 -1.33 0.00 0.00 58.87 57.85 1x43 n SER 79 Cb 0.22 -0.94 0.02 0.00 -0.75 0.00 0.00 64.21 62.76 1x43 n SER 79 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x43 s SER 80 N 6.43 5.86 0.00 -3.46 1.04 -1.26 -5.08 113.70 117.22 1x43 s SER 80 Ca 1.20 1.66 0.00 0.00 0.48 0.00 0.00 55.95 59.29 1x43 s SER 80 Cb -1.41 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 62.20 1x43 s SER 80 CO 0.63 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 174.34