#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 5.68 -0.19 1.61 0.01 -1.26 -5.06 113.70 114.49 1x43 s SER 2 Ca 0.00 -0.32 -0.05 0.00 1.31 0.00 0.00 55.95 56.89 1x43 s SER 2 Cb 0.00 -0.81 -0.10 0.00 0.21 0.00 0.00 66.02 65.33 1x43 s SER 2 CO 0.00 -0.74 -0.22 -1.54 0.41 0.00 0.00 173.24 171.15 1x43 n SER 3 N -1.87 1.85 0.00 2.44 3.41 -1.26 -5.14 113.62 113.06 1x43 n SER 3 Ca 0.06 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1x43 n SER 3 Cb 0.59 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1x43 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x43 n GLY 4 N 2.10 -0.94 3.00 5.00 0.00 -1.26 -5.03 105.19 108.07 1x43 n GLY 4 Ca -0.36 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.12 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 -1.72 -3.66 1.61 7.64 -1.26 -4.97 113.62 111.26 1x43 n SER 5 Ca 0.00 0.89 -0.19 0.00 1.01 0.00 0.00 58.87 60.59 1x43 n SER 5 Cb 0.00 -0.82 -0.17 0.00 -1.01 0.00 0.00 64.21 62.21 1x43 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x43 s SER 6 N -0.89 0.99 0.00 6.43 1.04 -1.26 -5.03 113.70 114.98 1x43 s SER 6 Ca 0.55 0.18 0.00 0.00 0.48 0.00 0.00 55.95 57.16 1x43 s SER 6 Cb -0.72 0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.47 1x43 s SER 6 CO 0.53 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.10 1x43 n GLY 7 N 5.31 -1.80 2.76 7.32 0.00 -1.26 -5.14 105.19 112.38 1x43 n GLY 7 Ca -0.04 0.62 -0.16 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.05 0.75 -0.25 0.99 1.02 -1.26 -5.13 118.68 113.75 1x43 s LEU 8 Ca 0.00 0.08 0.02 0.00 0.02 0.00 0.00 54.13 54.25 1x43 s LEU 8 Cb 0.00 -0.04 0.06 0.00 0.02 0.00 0.00 46.19 46.23 1x43 s LEU 8 CO 0.00 -0.17 -0.09 0.21 0.02 0.00 0.00 176.35 176.32 1x43 s ASN 9 N 1.42 4.27 0.05 2.29 3.84 -1.26 -5.11 114.94 120.44 1x43 s ASN 9 Ca -0.05 -1.34 0.04 0.00 0.21 0.00 0.00 52.86 51.72 1x43 s ASN 9 Cb -0.13 -1.44 -0.04 0.00 -0.55 0.00 0.00 41.25 39.10 1x43 s ASN 9 CO -0.03 -0.21 -0.05 -1.81 -2.79 0.00 0.00 177.10 172.21 1x43 s ASP 10 N 1.19 4.70 0.27 -4.21 1.01 -1.26 -5.13 116.67 113.24 1x43 s ASP 10 Ca -0.08 -0.21 -0.01 0.00 0.71 0.00 0.00 52.55 52.96 1x43 s ASP 10 Cb -0.20 -1.06 -0.04 0.00 1.01 0.00 0.00 42.92 42.63 1x43 s ASP 10 CO -0.05 0.23 0.49 -0.76 0.21 0.00 0.00 175.17 175.28 1x43 s LEU 11 N -1.85 4.11 -0.12 1.23 1.43 -1.26 -5.11 118.68 117.12 1x43 s LEU 11 Ca 0.20 0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 53.76 1x43 s LEU 11 Cb -0.11 -3.32 0.06 0.00 0.03 0.00 0.00 46.19 42.85 1x43 s LEU 11 CO 0.12 -0.17 0.26 -0.75 0.23 0.00 0.00 176.35 176.04 1x43 s LYS 12 N -3.71 0.17 -0.30 1.70 2.47 -1.26 -5.03 119.74 113.79 1x43 s LYS 12 Ca 0.40 0.69 0.01 0.00 -1.56 0.00 0.00 55.97 55.51 1x43 s LYS 12 Cb -0.10 -0.06 0.30 0.00 -1.46 0.00 0.00 37.83 36.51 1x43 s LYS 12 CO 0.31 -0.25 1.75 -0.85 0.16 0.00 0.00 175.35 176.48 1x43 n GLU 13 N 5.01 1.78 -4.27 4.03 0.00 -1.26 -4.90 120.64 121.02 1x43 n GLU 13 Ca -0.12 -1.67 -0.26 0.00 0.00 0.00 0.00 57.16 55.12 1x43 n GLU 13 Cb 0.51 -1.65 -0.08 0.00 0.00 0.00 0.00 31.44 30.21 1x43 n GLU 13 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1x43 s SER 14 N -0.12 4.43 -0.52 -1.84 0.01 -1.26 -5.10 113.70 109.31 1x43 s SER 14 Ca 0.32 -0.56 -0.12 0.00 1.31 0.00 0.00 55.95 56.91 1x43 s SER 14 Cb 0.26 -0.81 0.13 0.00 0.21 0.00 0.00 66.02 65.81 1x43 s SER 14 CO 0.03 0.08 0.43 -0.44 0.41 0.00 0.00 173.24 173.74 1x43 s SER 15 N -3.05 5.94 0.14 2.44 0.01 -1.26 -4.81 113.70 113.11 1x43 s SER 15 Ca 0.27 -1.92 0.00 0.00 1.31 0.00 0.00 55.95 55.61 1x43 s SER 15 Cb -0.08 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 64.05 1x43 s SER 15 CO 0.17 -0.75 0.00 0.59 0.41 0.00 0.00 173.24 173.66 1x43 n ASN 16 N 4.98 0.25 -4.90 2.44 3.02 -1.26 -5.13 115.26 114.66 1x43 n ASN 16 Ca -0.09 0.23 -0.21 0.00 -0.03 0.00 0.00 54.58 54.48 1x43 n ASN 16 Cb 0.41 0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.62 1x43 n ASN 16 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1x43 s ASN 17 N -5.10 5.02 0.31 6.41 2.20 -1.26 -5.05 114.94 117.47 1x43 s ASN 17 Ca 0.00 -0.82 0.09 0.00 -0.94 0.00 0.00 52.86 51.19 1x43 s ASN 17 Cb 0.00 -0.35 -0.04 0.00 -2.00 0.00 0.00 41.25 38.85 1x43 s ASN 17 CO 0.00 -0.78 0.07 -0.13 -2.94 0.00 0.00 177.10 173.31 1x43 s ARG 18 N -4.21 2.32 -0.03 3.55 0.52 0.92 -4.97 118.95 117.05 1x43 s ARG 18 Ca 0.47 -1.50 0.04 0.00 -0.52 0.00 0.00 55.73 54.22 1x43 s ARG 18 Cb -0.04 -2.15 -0.00 0.00 0.52 0.00 0.00 34.95 33.28 1x43 s ARG 18 CO 0.28 0.23 -0.14 0.15 0.02 0.00 0.00 175.30 175.84 1x43 s LYS 19 N -3.76 1.38 0.02 3.54 -0.14 -1.26 -0.42 119.74 119.10 1x43 s LYS 19 Ca 0.35 -0.49 -0.11 0.00 -1.36 0.00 0.00 55.97 54.35 1x43 s LYS 19 Cb -0.04 -1.25 0.01 0.00 -1.68 0.00 0.00 37.83 34.87 1x43 s LYS 19 CO 0.21 0.22 0.22 0.00 -0.76 0.00 0.00 175.35 175.24 1x43 s ALA 20 N -0.01 -0.48 -0.14 5.17 0.00 -1.17 -3.56 121.76 121.57 1x43 s ALA 20 Ca -0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.78 1x43 s ALA 20 Cb -0.09 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1x43 s ALA 20 CO 0.01 -0.32 0.09 0.50 0.00 0.00 0.00 175.76 176.05 1x43 s ARG 21 N -2.09 3.63 0.06 0.00 3.52 -1.24 -2.36 118.95 120.47 1x43 s ARG 21 Ca -0.09 -0.25 -0.30 0.00 -0.13 0.00 0.00 55.73 54.96 1x43 s ARG 21 Cb -0.03 -3.17 -0.05 0.00 -1.56 0.00 0.00 34.95 30.14 1x43 s ARG 21 CO -0.01 0.56 1.12 0.08 -0.81 0.00 0.00 175.30 176.24 1x43 s VAL 22 N -0.41 4.23 -0.07 7.11 1.01 0.99 -1.80 120.40 131.46 1x43 s VAL 22 Ca 0.10 1.65 0.14 0.00 0.00 0.00 0.00 61.98 63.87 1x43 s VAL 22 Cb -0.12 -4.05 -0.21 0.00 0.00 0.00 0.00 36.38 32.00 1x43 s VAL 22 CO 0.02 0.15 0.67 0.18 0.00 0.00 0.00 175.10 176.12 1x43 n LEU 23 N 3.66 0.82 -3.73 3.92 4.77 0.42 -1.55 117.00 125.31 1x43 n LEU 23 Ca 0.07 0.38 -0.14 0.00 -0.03 0.00 0.00 56.01 56.30 1x43 n LEU 23 Cb 0.48 0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 41.63 1x43 n LEU 23 CO 0.54 0.33 0.08 -0.31 -1.33 0.00 0.00 177.39 176.70 1x43 s TYR 24 N -2.69 -0.36 0.15 -1.77 1.51 -1.26 -4.65 117.35 108.29 1x43 s TYR 24 Ca -0.04 0.77 -0.31 0.00 -1.01 0.00 0.00 57.07 56.47 1x43 s TYR 24 Cb 0.08 0.15 -0.11 0.00 -0.11 0.00 0.00 41.96 41.97 1x43 s TYR 24 CO 0.82 -0.31 1.72 0.16 -1.11 0.00 0.00 175.55 176.84 1x43 s ASP 25 N -0.47 6.46 -0.10 2.29 -4.77 -1.26 -4.51 116.67 114.32 1x43 s ASP 25 Ca -0.06 2.74 -0.01 0.00 -3.30 0.00 0.00 52.55 51.91 1x43 s ASP 25 Cb -0.04 -2.58 -0.03 0.00 -1.09 0.00 0.00 42.92 39.18 1x43 s ASP 25 CO 0.03 -0.95 -0.03 -0.47 0.70 0.00 0.00 175.17 174.45 1x43 s TYR 26 N 1.88 3.04 -0.42 2.11 5.04 0.09 -4.92 117.35 124.17 1x43 s TYR 26 Ca 0.76 -0.00 -0.13 0.00 -2.44 0.00 0.00 57.07 55.25 1x43 s TYR 26 Cb -0.46 -1.81 0.05 0.00 0.35 0.00 0.00 41.96 40.09 1x43 s TYR 26 CO 0.33 0.28 0.30 0.16 -1.34 0.00 0.00 175.55 175.29 1x43 s ASP 27 N -0.51 5.96 0.19 4.32 1.47 -1.26 -1.20 116.67 125.64 1x43 s ASP 27 Ca 0.08 -1.15 -0.31 0.00 1.18 0.00 0.00 52.55 52.35 1x43 s ASP 27 Cb -0.12 -2.11 -0.10 0.00 -0.34 0.00 0.00 42.92 40.25 1x43 s ASP 27 CO 0.02 -0.51 1.55 0.00 0.68 0.00 0.00 175.17 176.91 1x43 s ALA 28 N 1.60 3.75 0.19 2.11 0.00 -1.26 -4.91 121.76 123.24 1x43 s ALA 28 Ca 0.04 1.39 0.03 0.00 0.00 0.00 0.00 51.96 53.41 1x43 s ALA 28 Cb -0.21 -3.61 0.09 0.00 0.00 0.00 0.00 23.12 19.38 1x43 s ALA 28 CO 0.07 -0.79 1.45 0.00 0.00 0.00 0.00 175.76 176.48 1x43 h ALA 29 N 6.30 0.64 -2.96 0.00 0.00 -1.92 -3.48 119.26 117.84 1x43 h ALA 29 Ca -0.44 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 53.80 1x43 h ALA 29 Cb 1.21 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1x43 h ALA 29 CO 0.88 0.83 0.29 0.27 0.00 0.00 0.00 179.25 181.52 1x43 n ASN 30 N -3.75 -2.26 -0.20 0.00 2.04 -1.26 -5.03 115.26 104.80 1x43 n ASN 30 Ca -0.03 -2.55 -0.04 0.00 -0.44 0.00 0.00 54.58 51.52 1x43 n ASN 30 Cb 0.73 3.75 0.02 0.00 -2.53 0.00 0.00 39.78 41.75 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 1.96 -1.04 -1.50 0.53 0.87 -1.97 0.46 113.55 112.85 1x43 h SER 31 Ca -0.33 0.22 0.44 0.00 -1.23 0.00 0.00 61.79 60.89 1x43 h SER 31 Cb 1.22 0.54 -0.06 0.00 -0.44 0.00 0.00 62.40 63.66 1x43 h SER 31 CO 0.42 -0.29 1.22 0.71 -0.53 0.00 0.00 176.83 178.36 1x43 h THR 32 N -0.13 0.09 -3.25 2.23 1.35 -1.97 -3.38 112.91 107.84 1x43 h THR 32 Ca 0.25 0.00 -0.64 0.00 -0.55 0.00 0.00 66.41 65.47 1x43 h THR 32 Cb 0.54 0.11 -0.13 0.00 -1.73 0.00 0.00 68.15 66.93 1x43 h THR 32 CO -0.67 0.00 -0.70 -1.61 -0.25 0.00 0.00 175.52 172.29 1x43 s GLU 33 N -4.75 2.28 0.11 4.72 2.02 0.16 0.14 118.70 123.38 1x43 s GLU 33 Ca -0.04 -1.04 0.08 0.00 0.02 0.00 0.00 54.97 53.99 1x43 s GLU 33 Cb 0.22 -2.35 -0.04 0.00 0.10 0.00 0.00 34.13 32.06 1x43 s GLU 33 CO 0.74 0.49 -0.15 -0.51 0.02 0.00 0.00 175.26 175.85 1x43 s LEU 34 N -2.52 2.82 0.16 1.80 1.43 -0.97 -4.56 118.68 116.84 1x43 s LEU 34 Ca 0.24 -0.49 -0.26 0.00 -1.03 0.00 0.00 54.13 52.59 1x43 s LEU 34 Cb -0.10 -1.65 -0.08 0.00 0.03 0.00 0.00 46.19 44.39 1x43 s LEU 34 CO 0.16 0.18 0.80 -0.44 0.23 0.00 0.00 176.35 177.29 1x43 s SER 35 N -2.15 7.41 0.18 2.29 0.01 -1.26 -4.19 113.70 116.00 1x43 s SER 35 Ca 0.19 1.68 0.11 0.00 1.31 0.00 0.00 55.95 59.24 1x43 s SER 35 Cb -0.11 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 1x43 s SER 35 CO 0.11 0.18 -0.24 -0.76 0.41 0.00 0.00 173.24 172.94 1x43 s LEU 36 N -1.01 2.42 0.12 2.44 1.43 -0.34 -4.93 118.68 118.81 1x43 s LEU 36 Ca 0.37 -0.85 0.10 0.00 -1.03 0.00 0.00 54.13 52.72 1x43 s LEU 36 Cb -0.23 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 1x43 s LEU 36 CO 0.27 0.11 -0.23 -0.76 0.23 0.00 0.00 176.35 175.97 1x43 s LEU 37 N -2.61 2.49 0.08 1.79 1.43 -1.26 -0.73 118.68 119.87 1x43 s LEU 37 Ca 0.19 -0.66 -0.31 0.00 -1.03 0.00 0.00 54.13 52.33 1x43 s LEU 37 Cb -0.08 -1.37 -0.07 0.00 0.03 0.00 0.00 46.19 44.70 1x43 s LEU 37 CO 0.09 0.18 1.41 0.00 0.23 0.00 0.00 176.35 178.26 1x43 s ALA 38 N -1.09 3.59 -0.33 4.21 0.00 -1.26 -3.10 121.76 123.77 1x43 s ALA 38 Ca 0.16 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.15 1x43 s ALA 38 Cb -0.10 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1x43 s ALA 38 CO 0.08 -0.73 0.28 -0.25 0.00 0.00 0.00 175.76 175.14 1x43 n ASP 39 N 4.48 -2.71 -3.83 0.00 8.00 -0.60 -4.95 116.55 116.94 1x43 n ASP 39 Ca 0.12 -0.14 -0.17 0.00 0.71 0.00 0.00 54.79 55.31 1x43 n ASP 39 Cb 0.43 -1.64 -0.16 0.00 -0.02 0.00 0.00 41.12 39.72 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 -4.97 0.31 -0.16 -1.24 -1.05 -1.18 -4.92 118.70 105.49 1x43 s GLU 40 Ca 0.09 0.05 -0.06 0.00 -0.15 0.00 0.00 54.97 54.91 1x43 s GLU 40 Cb -0.04 -0.46 -0.04 0.00 -0.44 0.00 0.00 34.13 33.15 1x43 s GLU 40 CO 0.18 -0.11 0.04 0.08 0.95 0.00 0.00 175.26 176.39 1x43 s VAL 41 N 0.91 4.58 0.37 1.83 1.01 -1.26 -0.01 120.40 127.84 1x43 s VAL 41 Ca -0.09 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 61.81 1x43 s VAL 41 Cb -0.13 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1x43 s VAL 41 CO -0.02 0.50 0.14 0.27 0.00 0.00 0.00 175.10 176.00 1x43 s ILE 42 N 0.07 0.55 -0.27 2.22 -4.36 -0.99 -4.97 121.20 113.45 1x43 s ILE 42 Ca 0.04 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.21 1x43 s ILE 42 Cb -0.12 -2.45 -0.01 0.00 1.25 0.00 0.00 42.46 41.13 1x43 s ILE 42 CO 0.01 0.00 0.71 -0.89 0.24 0.00 0.00 174.94 175.01 1x43 s THR 43 N -3.33 4.90 0.16 8.37 2.01 -1.25 -3.07 115.64 123.44 1x43 s THR 43 Ca 0.29 1.19 0.10 0.00 0.31 0.00 0.00 61.69 63.58 1x43 s THR 43 Cb 0.04 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1x43 s THR 43 CO 0.16 -0.08 -0.18 0.68 -0.69 0.00 0.00 174.62 174.51 1x43 s VAL 44 N 2.69 2.74 -0.23 3.82 -7.23 0.44 -1.43 120.40 121.19 1x43 s VAL 44 Ca 0.29 -1.75 -0.26 0.00 -1.81 0.00 0.00 61.98 58.45 1x43 s VAL 44 Cb -0.15 -2.31 0.10 0.00 0.56 0.00 0.00 36.38 34.58 1x43 s VAL 44 CO 0.10 -0.04 0.87 0.72 -0.31 0.00 0.00 175.10 176.44 1x43 s PHE 45 N -1.48 -0.60 0.57 2.82 -0.71 -0.56 -0.05 117.98 117.97 1x43 s PHE 45 Ca 0.21 1.36 -0.11 0.00 -1.04 0.00 0.00 56.93 57.35 1x43 s PHE 45 Cb -0.09 0.35 -0.05 0.00 -1.21 0.00 0.00 43.02 42.02 1x43 s PHE 45 CO 0.11 -0.34 0.97 0.45 -1.34 0.00 0.00 175.22 175.07 1x43 s SER 46 N -0.05 6.31 -0.04 1.98 0.15 -1.26 0.70 113.70 121.48 1x43 s SER 46 Ca -0.00 1.35 -0.02 0.00 0.70 0.00 0.00 55.95 57.98 1x43 s SER 46 Cb -0.04 -2.43 0.03 0.00 -1.71 0.00 0.00 66.02 61.87 1x43 s SER 46 CO -0.01 -0.76 0.09 -0.69 1.20 0.00 0.00 173.24 173.07 1x43 s VAL 47 N -2.99 -0.05 -0.09 4.45 1.01 -1.26 -4.90 120.40 116.58 1x43 s VAL 47 Ca 0.54 0.19 -0.28 0.00 0.00 0.00 0.00 61.98 62.43 1x43 s VAL 47 Cb -0.11 -0.16 -0.13 0.00 0.00 0.00 0.00 36.38 35.98 1x43 s VAL 47 CO 0.48 0.08 0.81 0.52 0.00 0.00 0.00 175.10 176.99 1x43 n VAL 48 N 4.13 0.00 0.00 2.92 0.31 -1.26 0.12 118.33 124.55 1x43 n VAL 48 Ca -0.26 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1x43 n VAL 48 Cb 0.51 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 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 1.43 1.82 3.55 2.92 0.00 -1.26 -4.98 105.19 108.67 1x43 n GLY 49 Ca 0.15 -0.33 -0.56 0.00 0.00 0.00 0.00 46.02 45.28 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 0.54 -0.74 1.61 0.00 0.32 -4.87 117.12 113.98 1x43 n MET 50 Ca 0.00 0.19 -0.33 0.00 0.00 0.00 0.00 57.70 57.56 1x43 n MET 50 Cb 0.00 -1.76 0.15 0.00 0.00 0.00 0.00 33.22 31.60 1x43 n MET 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1x43 n ASP 51 N 2.13 -2.52 0.08 6.12 9.92 -1.26 -4.80 116.55 126.22 1x43 n ASP 51 Ca 0.20 -0.07 0.04 0.00 -0.53 0.00 0.00 54.79 54.43 1x43 n ASP 51 Cb 0.13 -0.90 -0.03 0.00 -0.64 0.00 0.00 41.12 39.67 1x43 n ASP 51 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1x43 h SER 52 N -1.85 0.00 -0.37 -2.24 0.02 -2.00 -3.29 113.55 103.82 1x43 h SER 52 Ca -0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1x43 h SER 52 Cb 1.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1x43 h SER 52 CO 0.35 0.41 0.00 0.47 -1.14 0.00 0.00 176.83 176.92 1x43 n ASP 53 N -2.92 3.67 -3.70 3.07 8.00 -1.26 -4.82 116.55 118.58 1x43 n ASP 53 Ca -0.04 -2.48 -0.11 0.00 0.71 0.00 0.00 54.79 52.87 1x43 n ASP 53 Cb 0.74 -0.56 -0.10 0.00 -0.02 0.00 0.00 41.12 41.17 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 -1.97 -0.60 0.47 1.24 0.52 -1.24 -2.81 118.94 114.55 1x43 s TRP 54 Ca 0.33 1.31 0.04 0.00 0.02 0.00 0.00 56.10 57.80 1x43 s TRP 54 Cb 0.24 0.26 -0.04 0.00 -1.15 0.00 0.00 33.47 32.78 1x43 s TRP 54 CO 0.12 -0.32 0.05 -0.51 0.02 0.00 0.00 176.95 176.30 1x43 s LEU 55 N 1.06 2.60 -0.58 2.99 1.43 0.36 -4.42 118.68 122.13 1x43 s LEU 55 Ca -0.07 -1.48 -0.20 0.00 -1.03 0.00 0.00 54.13 51.36 1x43 s LEU 55 Cb -0.07 -0.88 0.08 0.00 0.03 0.00 0.00 46.19 45.35 1x43 s LEU 55 CO -0.09 -0.70 0.74 -0.32 0.23 0.00 0.00 176.35 176.20 1x43 s MET 56 N -3.85 3.09 0.11 1.70 1.75 0.22 -0.62 119.30 121.69 1x43 s MET 56 Ca 0.21 -1.08 -0.12 0.00 -1.25 0.00 0.00 55.69 53.45 1x43 s MET 56 Cb 0.05 -4.21 -0.06 0.00 2.84 0.00 0.00 34.83 33.45 1x43 s MET 56 CO 0.11 -1.50 0.47 0.20 -0.65 0.00 0.00 175.02 173.65 1x43 s GLY 57 N 3.35 2.41 -0.19 2.11 0.00 -0.40 -1.49 107.32 113.11 1x43 s GLY 57 Ca 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 44.72 44.59 1x43 s GLY 57 CO 0.09 0.00 0.02 1.85 0.00 0.00 0.00 173.10 175.06 1x43 s GLU 58 N -1.88 0.78 -0.38 2.90 2.12 -0.52 -2.25 118.70 119.47 1x43 s GLU 58 Ca 0.35 -0.45 -0.05 0.00 0.36 0.00 0.00 54.97 55.17 1x43 s GLU 58 Cb -0.15 -2.08 0.08 0.00 0.26 0.00 0.00 34.13 32.24 1x43 s GLU 58 CO 0.18 -0.60 0.17 0.50 -0.54 0.00 0.00 175.26 174.97 1x43 s ARG 59 N 1.81 2.40 2.47 4.30 3.52 -1.06 -3.87 118.95 128.53 1x43 s ARG 59 Ca -0.01 -1.48 0.00 0.00 -0.13 0.00 0.00 55.73 54.11 1x43 s ARG 59 Cb -0.17 -3.56 0.00 0.00 -1.56 0.00 0.00 34.95 29.67 1x43 s ARG 59 CO -0.08 -0.88 0.00 0.41 -0.81 0.00 0.00 175.30 173.95 1x43 n GLY 60 N 4.75 0.36 2.31 8.12 0.00 -1.26 -1.04 105.19 118.42 1x43 n GLY 60 Ca -0.09 0.66 -0.27 0.00 0.00 0.00 0.00 46.02 46.32 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 5.46 5.19 -4.03 1.61 3.02 -1.26 -5.02 115.26 120.23 1x43 n ASN 61 Ca 0.00 -3.75 -0.08 0.00 -0.03 0.00 0.00 54.58 50.72 1x43 n ASN 61 Cb 0.00 -0.49 -0.09 0.00 -0.61 0.00 0.00 39.78 38.59 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 -3.62 0.77 -0.14 3.52 -0.21 -0.21 -5.17 119.66 114.60 1x43 s GLN 62 Ca 0.51 -1.19 -0.17 0.00 0.02 0.00 0.00 55.36 54.53 1x43 s GLN 62 Cb 0.41 0.26 0.04 0.00 1.00 0.00 0.00 33.01 34.73 1x43 s GLN 62 CO -0.10 -0.20 0.44 0.15 -2.12 0.00 0.00 175.29 173.46 1x43 s LYS 63 N -3.93 0.58 0.00 2.91 1.02 -1.26 -2.55 119.74 116.51 1x43 s LYS 63 Ca 0.10 0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.57 1x43 s LYS 63 Cb 0.07 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.66 1x43 s LYS 63 CO -0.07 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.67 1x43 n GLY 64 N 2.48 0.48 3.85 -3.33 0.00 -0.96 -4.81 105.19 102.90 1x43 n GLY 64 Ca -0.15 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.51 3.82 -0.05 1.61 1.02 0.12 -1.28 119.74 123.48 1x43 s LYS 65 Ca 0.00 0.28 0.02 0.00 0.02 0.00 0.00 55.97 56.29 1x43 s LYS 65 Cb 0.00 -3.09 0.01 0.00 -0.52 0.00 0.00 37.83 34.23 1x43 s LYS 65 CO 0.00 0.62 -0.11 0.14 -0.92 0.00 0.00 175.35 175.08 1x43 s VAL 66 N -1.25 1.01 -0.15 3.17 -7.23 0.21 -2.29 120.40 113.86 1x43 s VAL 66 Ca 0.29 -0.44 -0.29 0.00 -1.81 0.00 0.00 61.98 59.73 1x43 s VAL 66 Cb -0.15 -0.92 -0.03 0.00 0.56 0.00 0.00 36.38 35.83 1x43 s VAL 66 CO 0.16 0.32 1.56 -2.16 -0.31 0.00 0.00 175.10 174.67 1x43 s PRO 67 N 0.50 4.02 0.51 4.82 0.04 -1.26 -0.48 135.00 143.14 1x43 s PRO 67 Ca -0.10 1.85 0.16 0.00 0.04 0.00 0.00 61.00 62.94 1x43 s PRO 67 Cb -0.13 -3.97 1.23 0.00 0.04 0.00 0.00 34.50 31.67 1x43 s PRO 67 CO 0.02 -1.02 2.13 0.82 0.04 0.00 0.00 177.00 178.99 1x43 h ILE 68 N 5.82 1.00 0.00 0.56 5.03 -1.85 -0.59 117.51 127.48 1x43 h ILE 68 Ca -0.34 -0.02 0.00 0.00 -0.12 0.00 0.00 64.86 64.38 1x43 h ILE 68 Cb 1.15 0.93 0.00 0.00 -3.03 0.00 0.00 36.82 35.87 1x43 h ILE 68 CO 0.98 0.01 0.00 0.71 -0.68 0.00 0.00 178.15 179.17 1x43 h THR 69 N 0.06 0.00 0.00 -0.27 1.35 -1.90 0.45 112.91 112.60 1x43 h THR 69 Ca 0.03 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 1x43 h THR 69 Cb 0.05 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 1x43 h THR 69 CO -0.00 0.00 -0.99 -1.22 -0.25 0.00 0.00 175.52 173.06 1x43 n TYR 70 N -2.86 0.00 -4.31 4.73 4.02 -0.24 -4.95 117.16 113.55 1x43 n TYR 70 Ca -0.03 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.53 1x43 n TYR 70 Cb 0.06 -0.06 -0.09 0.00 -0.02 0.00 0.00 39.34 39.23 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 -3.05 3.53 -0.58 7.72 1.43 0.15 -0.43 118.68 127.44 1x43 s LEU 71 Ca 0.05 0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.22 1x43 s LEU 71 Cb 0.13 -1.98 0.15 0.00 0.03 0.00 0.00 46.19 44.52 1x43 s LEU 71 CO 0.74 0.30 0.35 -0.70 0.23 0.00 0.00 176.35 177.27 1x43 s GLU 72 N -1.40 2.05 -0.54 1.70 2.12 -0.75 -4.86 118.70 117.03 1x43 s GLU 72 Ca 0.18 -2.82 -0.38 0.00 0.36 0.00 0.00 54.97 52.31 1x43 s GLU 72 Cb -0.11 -3.17 -0.17 0.00 0.26 0.00 0.00 34.13 30.94 1x43 s GLU 72 CO 0.08 -1.20 2.27 1.28 -0.54 0.00 0.00 175.26 177.15 1x43 n LEU 73 N 2.70 1.15 -4.55 2.70 4.77 -1.26 -3.65 117.00 118.85 1x43 n LEU 73 Ca 0.12 0.45 -0.37 0.00 -0.03 0.00 0.00 56.01 56.19 1x43 n LEU 73 Cb 0.34 -1.04 -0.03 0.00 -2.33 0.00 0.00 43.42 40.35 1x43 n LEU 73 CO 0.29 -0.79 1.46 -0.76 -1.33 0.00 0.00 177.39 176.26 1x43 s LEU 74 N 7.22 3.25 -1.04 2.23 1.43 -1.23 -4.92 118.68 125.62 1x43 s LEU 74 Ca 1.19 -0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 53.95 1x43 s LEU 74 Cb -1.20 -2.54 0.14 0.00 0.03 0.00 0.00 46.19 42.61 1x43 s LEU 74 CO 0.56 -2.27 1.27 0.20 0.23 0.00 0.00 176.35 176.34 1x43 s ASN 75 N 6.94 6.77 0.24 2.29 -0.87 -1.26 -4.87 114.94 124.18 1x43 s ASN 75 Ca 0.59 -2.32 -0.06 0.00 -1.57 0.00 0.00 52.86 49.50 1x43 s ASN 75 Cb -0.10 -2.42 0.43 0.00 -0.02 0.00 0.00 41.25 39.14 1x43 s ASN 75 CO 0.13 -1.00 1.68 0.77 -2.57 0.00 0.00 177.10 176.11 1x43 h SER 76 N 8.32 -0.04 -0.47 -1.22 4.64 -2.00 -3.46 113.55 119.32 1x43 h SER 76 Ca 0.22 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1x43 h SER 76 Cb 0.97 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1x43 h SER 76 CO 1.19 -0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.71 1x43 n GLY 77 N -1.35 3.99 3.77 -0.77 0.00 -1.26 -5.15 105.19 104.42 1x43 n GLY 77 Ca 0.13 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.18 2.75 0.09 1.61 0.04 -1.26 -4.97 135.00 131.08 1x43 s PRO 78 Ca 0.00 1.37 -0.31 0.00 0.04 0.00 0.00 61.00 62.10 1x43 s PRO 78 Cb 0.00 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 1x43 s PRO 78 CO 0.00 -1.29 1.37 0.45 0.04 0.00 0.00 177.00 177.57 1x43 s SER 79 N -2.66 6.86 -0.94 6.66 0.15 -1.26 -2.93 113.70 119.59 1x43 s SER 79 Ca 0.66 2.26 -0.05 0.00 0.70 0.00 0.00 55.95 59.52 1x43 s SER 79 Cb -0.20 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.53 1x43 s SER 79 CO 0.43 -0.64 0.82 -0.24 1.20 0.00 0.00 173.24 174.81 1x43 n SER 80 N 4.12 -4.58 0.00 5.45 2.88 -1.26 -5.34 113.62 114.90 1x43 n SER 80 Ca 0.11 -0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.26 1x43 n SER 80 Cb 0.43 -3.71 0.00 0.00 -0.75 0.00 0.00 64.21 60.18 1x43 n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42