#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 0.58 0.02 1.61 1.04 -1.26 -5.15 113.70 110.54 1x43 s SER 2 Ca 0.00 0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.76 1x43 s SER 2 Cb 0.00 0.23 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 1x43 s SER 2 CO 0.00 -0.22 -0.08 -0.44 0.98 0.00 0.00 173.24 173.48 1x43 s SER 3 N 2.03 0.92 0.00 7.02 0.01 -1.26 -5.09 113.70 117.34 1x43 s SER 3 Ca 0.00 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1x43 s SER 3 Cb -0.12 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.08 1x43 s SER 3 CO -0.06 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1x43 n GLY 4 N 2.13 0.31 0.34 3.44 0.00 -1.26 -4.90 105.19 105.25 1x43 n GLY 4 Ca -0.18 -1.53 -0.20 0.00 0.00 0.00 0.00 46.02 44.11 1x43 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x43 n SER 5 N 0.00 1.54 -1.61 1.61 7.64 -1.26 -5.04 113.62 116.50 1x43 n SER 5 Ca 0.00 0.26 -0.08 0.00 1.01 0.00 0.00 58.87 60.06 1x43 n SER 5 Cb 0.00 -0.63 0.03 0.00 -1.01 0.00 0.00 64.21 62.60 1x43 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x43 n SER 6 N -4.00 -3.34 0.00 6.43 2.88 -1.26 -4.89 113.62 109.44 1x43 n SER 6 Ca -0.36 -0.19 0.00 0.00 -1.33 0.00 0.00 58.87 56.99 1x43 n SER 6 Cb 0.72 -2.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.10 1x43 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x43 n GLY 7 N -1.03 -0.66 2.76 0.46 0.00 -1.26 -5.03 105.19 100.43 1x43 n GLY 7 Ca -0.01 -2.26 -0.19 0.00 0.00 0.00 0.00 46.02 43.56 1x43 n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x43 s LEU 8 N 0.00 -0.01 -0.71 0.99 0.20 -1.26 -5.10 118.68 112.80 1x43 s LEU 8 Ca 0.00 -0.06 -0.26 0.00 0.69 0.00 0.00 54.13 54.50 1x43 s LEU 8 Cb 0.00 0.21 -0.00 0.00 -0.43 0.00 0.00 46.19 45.97 1x43 s LEU 8 CO 0.00 -0.30 1.64 0.54 -0.29 0.00 0.00 176.35 177.95 1x43 s ASN 9 N 2.27 5.64 0.34 3.68 2.20 -1.26 -4.98 114.94 122.83 1x43 s ASN 9 Ca 0.04 -0.14 -0.07 0.00 -0.94 0.00 0.00 52.86 51.75 1x43 s ASN 9 Cb -0.14 -2.55 -0.06 0.00 -2.00 0.00 0.00 41.25 36.51 1x43 s ASN 9 CO -0.09 -2.17 0.63 -1.81 -2.94 0.00 0.00 177.10 170.72 1x43 s ASP 10 N 6.40 6.46 1.03 3.54 1.01 -1.26 -5.08 116.67 128.78 1x43 s ASP 10 Ca 0.55 0.86 -0.12 0.00 0.71 0.00 0.00 52.55 54.54 1x43 s ASP 10 Cb -0.10 -2.21 0.21 0.00 1.01 0.00 0.00 42.92 41.84 1x43 s ASP 10 CO 0.15 -0.28 1.08 -0.76 0.21 0.00 0.00 175.17 175.57 1x43 s LEU 11 N -3.70 1.44 0.02 1.23 1.43 -1.26 -5.03 118.68 112.81 1x43 s LEU 11 Ca 0.46 1.25 -0.02 0.00 -1.03 0.00 0.00 54.13 54.80 1x43 s LEU 11 Cb -0.11 -3.38 -0.01 0.00 0.03 0.00 0.00 46.19 42.72 1x43 s LEU 11 CO 0.31 -3.36 -0.04 0.29 0.23 0.00 0.00 176.35 173.79 1x43 n LYS 12 N -4.33 0.06 0.01 1.70 4.76 -1.26 -5.00 118.16 114.09 1x43 n LYS 12 Ca 0.05 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1x43 n LYS 12 Cb 0.57 -0.60 0.00 0.00 -1.84 0.00 0.00 35.03 33.16 1x43 n LYS 12 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1x43 n GLU 13 N -3.34 0.00 -3.64 1.97 1.02 -1.26 -5.12 120.64 110.28 1x43 n GLU 13 Ca -0.04 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.95 1x43 n GLU 13 Cb 0.32 -0.30 -0.07 0.00 -0.02 0.00 0.00 31.44 31.37 1x43 n GLU 13 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1x43 s SER 14 N -5.04 -0.44 -0.71 1.62 1.04 -1.26 -5.10 113.70 103.81 1x43 s SER 14 Ca 0.00 0.44 -0.26 0.00 0.48 0.00 0.00 55.95 56.61 1x43 s SER 14 Cb 0.00 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 1x43 s SER 14 CO 0.00 -0.52 1.91 -0.44 0.98 0.00 0.00 173.24 175.17 1x43 s SER 15 N -1.21 5.18 -0.16 7.02 0.01 -1.26 -4.84 113.70 118.45 1x43 s SER 15 Ca -0.12 0.00 -0.04 0.00 1.31 0.00 0.00 55.95 57.11 1x43 s SER 15 Cb -0.03 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.59 1x43 s SER 15 CO 0.07 -2.54 2.91 -3.20 0.41 0.00 0.00 173.24 170.89 1x43 n ASN 16 N 13.35 5.74 -3.61 2.44 2.85 -1.26 -4.81 115.26 129.97 1x43 n ASN 16 Ca 0.28 -2.73 -0.16 0.00 -0.11 0.00 0.00 54.58 51.86 1x43 n ASN 16 Cb 0.50 -1.27 -0.07 0.00 1.24 0.00 0.00 39.78 40.18 1x43 n ASN 16 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1x43 s ASN 17 N 1.34 -0.51 0.49 1.20 4.22 -1.26 -5.07 114.94 115.34 1x43 s ASN 17 Ca 0.48 0.55 -0.06 0.00 -2.14 0.00 0.00 52.86 51.69 1x43 s ASN 17 Cb 0.27 0.51 -0.04 0.00 1.28 0.00 0.00 41.25 43.27 1x43 s ASN 17 CO -0.06 -0.53 0.81 -0.13 -2.04 0.00 0.00 177.10 175.15 1x43 s ARG 18 N -1.13 3.56 0.02 3.55 0.52 -0.39 -4.92 118.95 120.15 1x43 s ARG 18 Ca -0.11 0.26 0.05 0.00 -0.52 0.00 0.00 55.73 55.41 1x43 s ARG 18 Cb -0.02 -2.35 -0.02 0.00 0.52 0.00 0.00 34.95 33.08 1x43 s ARG 18 CO 0.08 -0.23 -0.15 0.15 0.02 0.00 0.00 175.30 175.16 1x43 s LYS 19 N -4.74 1.11 0.05 3.54 -0.14 -1.26 -0.77 119.74 117.54 1x43 s LYS 19 Ca 0.48 -0.69 -0.14 0.00 -1.36 0.00 0.00 55.97 54.27 1x43 s LYS 19 Cb -0.10 -1.12 0.02 0.00 -1.68 0.00 0.00 37.83 34.95 1x43 s LYS 19 CO 0.45 0.29 0.31 0.00 -0.76 0.00 0.00 175.35 175.64 1x43 s ALA 20 N -0.62 -0.69 -0.18 5.17 0.00 -1.19 -3.75 121.76 120.50 1x43 s ALA 20 Ca 0.04 -0.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.91 1x43 s ALA 20 Cb -0.07 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 1x43 s ALA 20 CO 0.01 -0.44 0.04 0.50 0.00 0.00 0.00 175.76 175.87 1x43 s ARG 21 N -2.75 3.92 0.14 0.00 3.52 -1.24 -2.65 118.95 119.89 1x43 s ARG 21 Ca -0.04 -0.37 -0.30 0.00 -0.13 0.00 0.00 55.73 54.89 1x43 s ARG 21 Cb -0.00 -3.16 -0.07 0.00 -1.56 0.00 0.00 34.95 30.15 1x43 s ARG 21 CO -0.05 0.27 1.26 0.08 -0.81 0.00 0.00 175.30 176.05 1x43 s VAL 22 N 0.36 3.58 -0.07 7.11 1.01 0.82 -1.84 120.40 131.37 1x43 s VAL 22 Ca 0.02 1.22 0.14 0.00 0.00 0.00 0.00 61.98 63.36 1x43 s VAL 22 Cb -0.13 -3.78 -0.20 0.00 0.00 0.00 0.00 36.38 32.28 1x43 s VAL 22 CO 0.01 0.14 0.71 0.18 0.00 0.00 0.00 175.10 176.14 1x43 n LEU 23 N 3.22 0.85 -3.79 3.92 4.77 0.64 -1.99 117.00 124.62 1x43 n LEU 23 Ca 0.07 0.39 -0.13 0.00 -0.03 0.00 0.00 56.01 56.32 1x43 n LEU 23 Cb 0.44 0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 41.58 1x43 n LEU 23 CO 0.57 0.30 -0.04 -0.31 -1.33 0.00 0.00 177.39 176.57 1x43 s TYR 24 N -2.72 -0.16 -0.23 -1.77 1.51 -1.26 -4.68 117.35 108.04 1x43 s TYR 24 Ca -0.04 0.30 -0.29 0.00 -1.01 0.00 0.00 57.07 56.03 1x43 s TYR 24 Cb 0.08 0.06 -0.03 0.00 -0.11 0.00 0.00 41.96 41.97 1x43 s TYR 24 CO 0.82 -0.30 1.65 0.16 -1.11 0.00 0.00 175.55 176.77 1x43 s ASP 25 N -0.94 6.31 0.13 2.29 -4.77 -1.26 -4.43 116.67 114.00 1x43 s ASP 25 Ca -0.10 1.59 -0.03 0.00 -3.30 0.00 0.00 52.55 50.71 1x43 s ASP 25 Cb -0.05 -2.53 -0.05 0.00 -1.09 0.00 0.00 42.92 39.20 1x43 s ASP 25 CO 0.03 -1.32 0.33 -0.47 0.70 0.00 0.00 175.17 174.44 1x43 s TYR 26 N 5.43 3.49 -0.31 2.11 5.04 0.30 -4.90 117.35 128.50 1x43 s TYR 26 Ca 0.73 0.44 0.02 0.00 -2.44 0.00 0.00 57.07 55.82 1x43 s TYR 26 Cb -0.25 -1.91 0.08 0.00 0.35 0.00 0.00 41.96 40.23 1x43 s TYR 26 CO 0.30 0.47 -0.01 -0.51 -1.34 0.00 0.00 175.55 174.46 1x43 s ASP 27 N -2.57 4.70 0.20 4.32 1.11 -1.26 -0.87 116.67 122.30 1x43 s ASP 27 Ca 0.39 -1.74 -0.32 0.00 0.18 0.00 0.00 52.55 51.05 1x43 s ASP 27 Cb -0.12 -1.62 -0.14 0.00 1.07 0.00 0.00 42.92 42.10 1x43 s ASP 27 CO 0.26 -0.30 1.41 0.00 1.18 0.00 0.00 175.17 177.72 1x43 n ALA 28 N 4.39 0.79 0.04 5.23 0.00 -1.26 -4.90 120.51 124.80 1x43 n ALA 28 Ca -0.06 0.43 -0.15 0.00 0.00 0.00 0.00 53.44 53.66 1x43 n ALA 28 Cb 0.42 -2.25 -0.14 0.00 0.00 0.00 0.00 19.45 17.49 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 4.49 0.39 -2.30 0.00 0.00 -1.92 -3.48 119.26 116.44 1x43 h ALA 29 Ca -0.45 -1.20 -0.24 0.00 0.00 0.00 0.00 54.91 53.03 1x43 h ALA 29 Cb 1.28 0.34 -0.15 0.00 0.00 0.00 0.00 17.79 19.27 1x43 h ALA 29 CO 0.78 1.25 -0.67 0.54 0.00 0.00 0.00 179.25 181.15 1x43 s ASN 30 N -6.81 0.93 0.15 0.00 6.03 -1.26 -5.04 114.94 108.93 1x43 s ASN 30 Ca -0.09 -1.13 -0.31 0.00 -1.03 0.00 0.00 52.86 50.29 1x43 s ASN 30 Cb 0.07 0.16 -0.08 0.00 -3.03 0.00 0.00 41.25 38.38 1x43 s ASN 30 CO 0.84 -0.59 1.55 0.77 -2.03 0.00 0.00 177.10 177.63 1x43 h SER 31 N 2.83 -1.95 -1.19 3.54 4.64 -1.99 0.39 113.55 119.82 1x43 h SER 31 Ca -0.36 0.28 0.43 0.00 -0.47 0.00 0.00 61.79 61.68 1x43 h SER 31 Cb 1.19 0.84 -0.14 0.00 -0.31 0.00 0.00 62.40 63.97 1x43 h SER 31 CO 0.63 -0.33 0.74 0.35 -0.87 0.00 0.00 176.83 177.34 1x43 n THR 32 N -5.33 -0.28 -3.14 2.95 -2.24 -1.26 -4.30 114.28 100.67 1x43 n THR 32 Ca -0.01 1.76 -0.31 0.00 -2.27 0.00 0.00 64.05 63.22 1x43 n THR 32 Cb 0.31 -2.88 -0.04 0.00 -2.10 0.00 0.00 70.33 65.62 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 -5.23 3.81 0.10 -0.78 2.02 0.14 0.48 118.70 119.23 1x43 s GLU 33 Ca -0.07 0.39 0.10 0.00 0.02 0.00 0.00 54.97 55.41 1x43 s GLU 33 Cb 0.30 -2.51 -0.04 0.00 0.10 0.00 0.00 34.13 31.99 1x43 s GLU 33 CO 0.76 0.14 -0.26 -0.51 0.02 0.00 0.00 175.26 175.41 1x43 s LEU 34 N -3.34 2.30 0.33 1.80 1.43 -0.94 -4.70 118.68 115.57 1x43 s LEU 34 Ca 0.50 -0.67 -0.26 0.00 -1.03 0.00 0.00 54.13 52.67 1x43 s LEU 34 Cb -0.11 -1.27 -0.10 0.00 0.03 0.00 0.00 46.19 44.74 1x43 s LEU 34 CO 0.25 0.21 0.95 -0.94 0.23 0.00 0.00 176.35 177.06 1x43 s SER 35 N -1.75 7.28 0.07 2.29 1.04 -1.26 -4.10 113.70 117.27 1x43 s SER 35 Ca 0.13 1.85 0.07 0.00 0.48 0.00 0.00 55.95 58.48 1x43 s SER 35 Cb -0.10 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.41 1x43 s SER 35 CO 0.05 -0.11 -0.18 -0.76 0.98 0.00 0.00 173.24 173.22 1x43 s LEU 36 N -2.15 2.25 0.28 2.42 1.43 -0.05 -4.93 118.68 117.93 1x43 s LEU 36 Ca 0.51 -0.60 0.09 0.00 -1.03 0.00 0.00 54.13 53.11 1x43 s LEU 36 Cb -0.18 -0.75 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 1x43 s LEU 36 CO 0.24 0.04 0.06 -0.76 0.23 0.00 0.00 176.35 176.15 1x43 s LEU 37 N -1.59 3.32 0.01 1.79 1.43 -1.26 0.11 118.68 122.49 1x43 s LEU 37 Ca 0.04 -0.60 -0.30 0.00 -1.03 0.00 0.00 54.13 52.24 1x43 s LEU 37 Cb -0.09 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 1x43 s LEU 37 CO 0.03 -0.06 0.97 0.00 0.23 0.00 0.00 176.35 177.51 1x43 s ALA 38 N -2.31 3.18 -0.38 4.21 0.00 -1.26 -3.58 121.76 121.61 1x43 s ALA 38 Ca 0.33 0.53 -0.02 0.00 0.00 0.00 0.00 51.96 52.80 1x43 s ALA 38 Cb -0.06 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1x43 s ALA 38 CO 0.21 -0.20 0.20 -0.25 0.00 0.00 0.00 175.76 175.73 1x43 n ASP 39 N 3.76 -2.83 -4.03 0.00 8.00 -0.84 -4.94 116.55 115.66 1x43 n ASP 39 Ca 0.05 -0.09 -0.22 0.00 0.71 0.00 0.00 54.79 55.23 1x43 n ASP 39 Cb 0.51 -1.64 -0.16 0.00 -0.02 0.00 0.00 41.12 39.81 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 -4.99 1.29 -0.22 -1.24 -1.05 -1.24 -4.93 118.70 106.33 1x43 s GLU 40 Ca 0.10 -0.38 -0.05 0.00 -0.15 0.00 0.00 54.97 54.49 1x43 s GLU 40 Cb -0.04 -1.14 -0.02 0.00 -0.44 0.00 0.00 34.13 32.48 1x43 s GLU 40 CO 0.12 0.11 0.00 0.08 0.95 0.00 0.00 175.26 176.52 1x43 s VAL 41 N 0.32 3.86 0.47 1.83 1.01 -1.26 -0.12 120.40 126.51 1x43 s VAL 41 Ca -0.06 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1x43 s VAL 41 Cb -0.11 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 1x43 s VAL 41 CO 0.02 0.41 0.03 0.27 0.00 0.00 0.00 175.10 175.82 1x43 s ILE 42 N 1.26 1.20 -0.18 2.22 -4.36 -1.09 -4.95 121.20 115.30 1x43 s ILE 42 Ca 0.04 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.20 1x43 s ILE 42 Cb -0.15 -2.37 -0.02 0.00 1.25 0.00 0.00 42.46 41.18 1x43 s ILE 42 CO 0.01 0.00 0.70 -0.89 0.24 0.00 0.00 174.94 175.00 1x43 s THR 43 N -2.93 4.97 0.07 8.37 2.01 -1.25 -3.19 115.64 123.68 1x43 s THR 43 Ca 0.15 1.35 0.09 0.00 0.31 0.00 0.00 61.69 63.59 1x43 s THR 43 Cb 0.04 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 1x43 s THR 43 CO 0.08 0.08 -0.23 0.68 -0.69 0.00 0.00 174.62 174.54 1x43 s VAL 44 N 1.96 1.88 -0.10 3.82 -7.23 0.05 -2.05 120.40 118.74 1x43 s VAL 44 Ca 0.32 -1.40 -0.26 0.00 -1.81 0.00 0.00 61.98 58.84 1x43 s VAL 44 Cb -0.16 -1.65 0.06 0.00 0.56 0.00 0.00 36.38 35.19 1x43 s VAL 44 CO 0.11 0.17 0.61 0.72 -0.31 0.00 0.00 175.10 176.40 1x43 s PHE 45 N -0.91 -0.60 0.62 2.82 -0.71 -0.67 -1.26 117.98 117.27 1x43 s PHE 45 Ca 0.09 1.17 -0.12 0.00 -1.04 0.00 0.00 56.93 57.03 1x43 s PHE 45 Cb -0.10 0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 41.99 1x43 s PHE 45 CO 0.03 -0.49 1.03 -1.54 -1.34 0.00 0.00 175.22 172.91 1x43 s SER 46 N -0.75 6.10 -0.07 1.98 1.04 -1.26 0.63 113.70 121.37 1x43 s SER 46 Ca -0.08 1.48 -0.10 0.00 0.48 0.00 0.00 55.95 57.74 1x43 s SER 46 Cb -0.02 -2.48 0.02 0.00 0.10 0.00 0.00 66.02 63.64 1x43 s SER 46 CO 0.06 -0.96 0.25 -0.69 0.98 0.00 0.00 173.24 172.89 1x43 s VAL 47 N -3.07 0.02 0.26 5.02 1.01 -1.26 -4.87 120.40 117.50 1x43 s VAL 47 Ca 0.56 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 1x43 s VAL 47 Cb -0.12 -0.41 -0.14 0.00 0.00 0.00 0.00 36.38 35.71 1x43 s VAL 47 CO 0.51 -0.08 1.12 0.52 0.00 0.00 0.00 175.10 177.17 1x43 n VAL 48 N 2.51 1.59 -1.64 2.92 0.31 -1.26 -1.48 118.33 121.29 1x43 n VAL 48 Ca -0.15 -0.40 -0.08 0.00 -0.01 0.00 0.00 64.34 63.70 1x43 n VAL 48 Cb 0.58 -1.07 -0.02 0.00 -0.91 0.00 0.00 33.84 32.42 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 1.50 0.57 3.68 2.92 0.00 -1.26 -5.03 105.19 107.58 1x43 n GLY 49 Ca 0.11 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.44 2.46 0.20 1.61 0.00 -0.55 -5.12 119.30 114.46 1x43 s MET 50 Ca 0.00 -1.07 -0.17 0.00 0.00 0.00 0.00 55.69 54.45 1x43 s MET 50 Cb 0.00 -2.39 -0.08 0.00 0.00 0.00 0.00 34.83 32.36 1x43 s MET 50 CO 0.00 0.46 0.65 -0.51 0.00 0.00 0.00 175.02 175.62 1x43 s ASP 51 N -2.93 6.92 0.59 1.11 1.11 -1.26 -4.96 116.67 117.25 1x43 s ASP 51 Ca 0.28 1.25 0.32 0.00 0.18 0.00 0.00 52.55 54.57 1x43 s ASP 51 Cb -0.09 -2.36 1.84 0.00 1.07 0.00 0.00 42.92 43.39 1x43 s ASP 51 CO 0.19 0.04 2.24 0.77 1.18 0.00 0.00 175.17 179.59 1x43 h SER 52 N 3.35 0.00 -0.27 0.27 4.64 -1.99 0.56 113.55 120.10 1x43 h SER 52 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 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 0.66 0.02 0.00 0.47 -0.87 0.00 0.00 176.83 177.11 1x43 n ASP 53 N -3.69 2.14 -3.69 4.97 8.00 -1.26 -4.76 116.55 118.26 1x43 n ASP 53 Ca -0.03 -2.15 -0.10 0.00 0.71 0.00 0.00 54.79 53.22 1x43 n ASP 53 Cb 0.11 -0.35 -0.11 0.00 -0.02 0.00 0.00 41.12 40.75 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 -1.65 -0.64 0.47 1.24 0.52 0.19 -2.87 118.94 116.20 1x43 s TRP 54 Ca 0.21 1.34 0.04 0.00 0.02 0.00 0.00 56.10 57.72 1x43 s TRP 54 Cb 0.13 0.29 -0.03 0.00 -1.15 0.00 0.00 33.47 32.71 1x43 s TRP 54 CO 0.11 -0.36 0.09 -0.51 0.02 0.00 0.00 176.95 176.30 1x43 s LEU 55 N 1.43 2.67 -0.59 2.99 1.43 0.86 -4.23 118.68 123.23 1x43 s LEU 55 Ca -0.09 -1.41 -0.20 0.00 -1.03 0.00 0.00 54.13 51.39 1x43 s LEU 55 Cb -0.08 -0.97 0.08 0.00 0.03 0.00 0.00 46.19 45.25 1x43 s LEU 55 CO -0.13 -0.71 0.77 -0.32 0.23 0.00 0.00 176.35 176.19 1x43 s MET 56 N -3.89 3.09 0.31 1.70 1.75 0.21 0.02 119.30 122.49 1x43 s MET 56 Ca 0.24 -1.05 -0.08 0.00 -1.25 0.00 0.00 55.69 53.55 1x43 s MET 56 Cb 0.04 -4.21 -0.06 0.00 2.84 0.00 0.00 34.83 33.43 1x43 s MET 56 CO 0.13 -1.55 0.63 0.20 -0.65 0.00 0.00 175.02 173.78 1x43 s GLY 57 N 3.42 2.02 -0.17 2.11 0.00 0.12 -1.67 107.32 113.14 1x43 s GLY 57 Ca 0.16 -0.35 -0.04 0.00 0.00 0.00 0.00 44.72 44.49 1x43 s GLY 57 CO 0.09 -0.20 0.22 1.85 0.00 0.00 0.00 173.10 175.06 1x43 s GLU 58 N -3.41 0.16 -0.28 2.90 2.12 -0.87 -2.03 118.70 117.29 1x43 s GLU 58 Ca 0.48 0.35 0.03 0.00 0.36 0.00 0.00 54.97 56.18 1x43 s GLU 58 Cb -0.11 -0.87 0.07 0.00 0.26 0.00 0.00 34.13 33.49 1x43 s GLU 58 CO 0.27 -0.54 -0.06 0.50 -0.54 0.00 0.00 175.26 174.90 1x43 s ARG 59 N 2.34 1.93 6.32 4.30 3.52 -1.15 -3.93 118.95 132.28 1x43 s ARG 59 Ca 0.05 -1.45 0.00 0.00 -0.13 0.00 0.00 55.73 54.20 1x43 s ARG 59 Cb -0.15 -2.93 0.00 0.00 -1.56 0.00 0.00 34.95 30.32 1x43 s ARG 59 CO -0.10 -0.68 0.00 0.41 -0.81 0.00 0.00 175.30 174.11 1x43 n GLY 60 N 4.42 1.80 2.38 8.12 0.00 -1.26 -2.09 105.19 118.55 1x43 n GLY 60 Ca -0.09 0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 11.33 6.43 -4.11 1.61 3.02 -1.26 -4.98 115.26 127.29 1x43 n ASN 61 Ca 0.00 -3.78 -0.08 0.00 -0.03 0.00 0.00 54.58 50.69 1x43 n ASN 61 Cb 0.00 -0.73 -0.10 0.00 -0.61 0.00 0.00 39.78 38.34 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 -3.77 0.79 -0.15 3.52 -0.21 -0.89 -5.17 119.66 113.77 1x43 s GLN 62 Ca 0.56 -1.32 -0.18 0.00 0.02 0.00 0.00 55.36 54.44 1x43 s GLN 62 Cb 0.45 0.23 0.05 0.00 1.00 0.00 0.00 33.01 34.74 1x43 s GLN 62 CO -0.10 -0.20 0.48 0.15 -2.12 0.00 0.00 175.29 173.50 1x43 s LYS 63 N -3.98 0.62 -0.01 2.91 1.02 -1.26 -2.94 119.74 116.10 1x43 s LYS 63 Ca 0.16 0.54 -0.04 0.00 0.02 0.00 0.00 55.97 56.65 1x43 s LYS 63 Cb 0.08 0.30 0.01 0.00 -0.52 0.00 0.00 37.83 37.69 1x43 s LYS 63 CO -0.04 -0.10 0.17 0.41 -0.92 0.00 0.00 175.35 174.87 1x43 n GLY 64 N 2.49 0.45 3.88 -3.33 0.00 -0.86 -4.82 105.19 103.00 1x43 n GLY 64 Ca -0.15 -0.84 -0.30 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 -2.00 3.74 -0.02 1.61 1.02 0.18 0.11 119.74 124.38 1x43 s LYS 65 Ca 0.04 0.33 0.00 0.00 0.02 0.00 0.00 55.97 56.36 1x43 s LYS 65 Cb -0.00 -2.48 0.03 0.00 -0.52 0.00 0.00 37.83 34.86 1x43 s LYS 65 CO -0.00 0.06 0.03 0.14 -0.92 0.00 0.00 175.35 174.65 1x43 s VAL 66 N -2.26 -0.05 -0.18 3.17 -7.23 0.10 -2.21 120.40 111.75 1x43 s VAL 66 Ca 0.49 0.19 -0.29 0.00 -1.81 0.00 0.00 61.98 60.55 1x43 s VAL 66 Cb -0.10 -0.07 -0.03 0.00 0.56 0.00 0.00 36.38 36.73 1x43 s VAL 66 CO 0.30 0.08 1.58 -2.16 -0.31 0.00 0.00 175.10 174.59 1x43 s PRO 67 N 0.92 3.92 0.38 4.82 0.04 -1.26 -0.10 135.00 143.72 1x43 s PRO 67 Ca -0.08 1.77 0.05 0.00 0.04 0.00 0.00 61.00 62.78 1x43 s PRO 67 Cb -0.11 -4.00 0.77 0.00 0.04 0.00 0.00 34.50 31.20 1x43 s PRO 67 CO -0.03 -1.14 2.03 0.82 0.04 0.00 0.00 177.00 178.73 1x43 h ILE 68 N 5.96 1.12 0.00 0.56 5.03 -1.82 -0.90 117.51 127.45 1x43 h ILE 68 Ca -0.34 -0.24 0.00 0.00 -0.12 0.00 0.00 64.86 64.17 1x43 h ILE 68 Cb 1.15 0.38 0.00 0.00 -3.03 0.00 0.00 36.82 35.32 1x43 h ILE 68 CO 0.99 0.13 0.15 0.71 -0.68 0.00 0.00 178.15 179.44 1x43 h THR 69 N 0.69 0.00 0.00 -0.27 1.35 -1.90 0.32 112.91 113.10 1x43 h THR 69 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.05 1x43 h THR 69 Cb -0.05 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.12 1x43 h THR 69 CO -0.04 0.00 -1.22 -1.22 -0.25 0.00 0.00 175.52 172.78 1x43 n TYR 70 N -2.82 0.00 -4.12 4.73 4.02 -0.36 -4.95 117.16 113.66 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 0.20 -0.13 -0.08 0.00 -0.02 0.00 0.00 39.34 39.31 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 -3.36 3.49 -0.51 7.72 1.43 0.11 -0.26 118.68 127.30 1x43 s LEU 71 Ca 0.04 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 1x43 s LEU 71 Cb 0.15 -2.22 0.15 0.00 0.03 0.00 0.00 46.19 44.30 1x43 s LEU 71 CO 0.85 0.17 0.31 -0.70 0.23 0.00 0.00 176.35 177.21 1x43 s GLU 72 N -2.32 1.66 -0.38 1.70 2.12 -0.77 -4.86 118.70 115.85 1x43 s GLU 72 Ca 0.26 -2.46 -0.41 0.00 0.36 0.00 0.00 54.97 52.73 1x43 s GLU 72 Cb -0.12 -2.69 -0.16 0.00 0.26 0.00 0.00 34.13 31.42 1x43 s GLU 72 CO 0.19 -1.20 1.96 1.28 -0.54 0.00 0.00 175.26 176.94 1x43 n LEU 73 N 3.01 1.76 -4.93 2.70 4.77 -1.26 -3.59 117.00 119.45 1x43 n LEU 73 Ca 0.13 0.79 -0.30 0.00 -0.03 0.00 0.00 56.01 56.60 1x43 n LEU 73 Cb 0.36 -1.08 0.19 0.00 -2.33 0.00 0.00 43.42 40.55 1x43 n LEU 73 CO 0.25 -0.65 0.88 -0.76 -1.33 0.00 0.00 177.39 175.78 1x43 s LEU 74 N 5.24 2.73 0.20 2.23 1.43 -1.25 -5.00 118.68 124.26 1x43 s LEU 74 Ca 1.08 0.24 0.04 0.00 -1.03 0.00 0.00 54.13 54.46 1x43 s LEU 74 Cb -1.17 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 42.74 1x43 s LEU 74 CO 0.63 -2.75 0.33 0.20 0.23 0.00 0.00 176.35 174.99 1x43 s ASN 75 N -4.90 6.33 -0.64 2.29 -0.87 -1.26 -5.00 114.94 110.89 1x43 s ASN 75 Ca 0.74 0.13 -0.02 0.00 -1.57 0.00 0.00 52.86 52.15 1x43 s ASN 75 Cb -0.04 -1.89 0.40 0.00 -0.02 0.00 0.00 41.25 39.70 1x43 s ASN 75 CO 0.53 -0.02 2.05 -0.24 -2.57 0.00 0.00 177.10 176.86 1x43 n SER 76 N -0.99 7.51 0.00 -1.22 2.88 -1.26 -4.93 113.62 115.61 1x43 n SER 76 Ca -0.08 -3.69 0.00 0.00 -1.33 0.00 0.00 58.87 53.77 1x43 n SER 76 Cb 0.55 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 1x43 n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x43 n GLY 77 N -0.68 3.95 3.70 0.46 0.00 -1.26 -5.11 105.19 106.26 1x43 n GLY 77 Ca 0.57 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.74 4.30 0.56 1.61 0.04 -1.26 -4.98 135.00 132.53 1x43 s PRO 78 Ca 0.00 2.03 -0.21 0.00 0.04 0.00 0.00 61.00 62.85 1x43 s PRO 78 Cb 0.00 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 1x43 s PRO 78 CO 0.00 -0.50 1.33 -1.12 0.04 0.00 0.00 177.00 176.76 1x43 s SER 79 N 1.50 5.22 0.16 6.66 0.01 -1.26 -4.87 113.70 121.12 1x43 s SER 79 Ca 0.64 2.71 -0.15 0.00 1.31 0.00 0.00 55.95 60.46 1x43 s SER 79 Cb -0.34 -2.63 0.13 0.00 0.21 0.00 0.00 66.02 63.38 1x43 s SER 79 CO 0.29 -1.60 1.15 -1.20 0.41 0.00 0.00 173.24 172.29 1x43 n SER 80 N -1.13 -0.55 0.00 2.44 7.64 -1.26 -5.29 113.62 115.46 1x43 n SER 80 Ca 0.11 1.30 0.00 0.00 1.01 0.00 0.00 58.87 61.29 1x43 n SER 80 Cb 0.46 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 1x43 n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64