#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9s s LYS 4 N 0.00 2.28 -0.44 1.57 2.20 -1.26 -5.07 119.74 119.03 2x9s s LYS 4 Ca 0.00 -1.70 -0.27 0.00 -0.36 0.00 0.00 55.97 53.64 2x9s s LYS 4 Cb 0.00 -3.69 0.02 0.00 -1.51 0.00 0.00 37.83 32.65 2x9s s LYS 4 CO 0.00 -1.06 1.02 0.21 -0.36 0.00 0.00 175.35 175.16 2x9s s LYS 5 N 1.27 3.72 0.43 4.03 2.36 -1.26 -5.00 119.74 125.29 2x9s s LYS 5 Ca 0.06 0.48 -0.13 0.00 -2.55 0.00 0.00 55.97 53.83 2x9s s LYS 5 Cb -0.24 -3.88 -0.11 0.00 -1.05 0.00 0.00 37.83 32.55 2x9s s LYS 5 CO -0.02 -1.20 -0.16 0.41 1.55 0.00 0.00 175.35 175.93 2x9s n GLY 6 N 4.69 -2.57 3.43 5.54 0.00 -1.26 -5.03 105.19 109.98 2x9s n GLY 6 Ca 0.09 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 2x9s n GLY 6 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x9s s LEU 7 N 4.08 1.88 0.00 0.99 1.43 -1.26 -5.17 118.68 120.63 2x9s s LEU 7 Ca 0.41 -1.67 0.00 0.00 -1.03 0.00 0.00 54.13 51.84 2x9s s LEU 7 Cb -0.34 0.10 0.00 0.00 0.03 0.00 0.00 46.19 45.97 2x9s s LEU 7 CO 0.52 -0.95 0.00 0.61 0.23 0.00 0.00 176.35 176.75 2x9s n GLY 8 N -0.79 1.23 1.02 -3.19 0.00 -1.26 -5.18 105.19 97.03 2x9s n GLY 8 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 2x9s n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2x9s n SER 9 N 0.00 -0.31 -4.20 1.61 3.41 -1.26 -5.18 113.62 107.70 2x9s n SER 9 Ca 0.00 -1.07 -0.22 0.00 -0.26 0.00 0.00 58.87 57.32 2x9s n SER 9 Cb 0.00 0.48 -0.13 0.00 -0.26 0.00 0.00 64.21 64.30 2x9s n SER 9 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2x9s s THR 10 N -2.12 1.36 -2.15 6.66 -4.23 -1.26 -5.00 115.64 108.90 2x9s s THR 10 Ca 0.08 -1.16 0.17 0.00 -1.18 0.00 0.00 61.69 59.59 2x9s s THR 10 Cb -0.00 -1.22 0.40 0.00 1.34 0.00 0.00 72.50 73.02 2x9s s THR 10 CO -0.00 0.03 1.47 0.54 -0.54 0.00 0.00 174.62 176.12 2x9s n ARG 11 N 1.71 1.59 0.00 3.99 1.74 -1.26 -4.80 116.66 119.64 2x9s n ARG 11 Ca -0.18 -0.90 0.00 0.00 -0.77 0.00 0.00 57.85 56.00 2x9s n ARG 11 Cb 0.54 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 2x9s n ARG 11 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2x9s n ASN 12 N 0.15 0.00 0.00 0.55 5.03 -1.26 -4.86 115.26 114.87 2x9s n ASN 12 Ca 0.14 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.59 2x9s n ASN 12 Cb 0.26 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.02 2x9s n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2x9s n GLY 13 N 5.00 0.31 4.02 7.41 0.00 -1.26 -5.10 105.19 115.57 2x9s n GLY 13 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2x9s n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x9s s ARG 14 N -0.96 2.31 0.00 1.61 0.52 -1.26 -5.12 118.95 116.05 2x9s s ARG 14 Ca 0.00 -1.47 0.00 0.00 -0.52 0.00 0.00 55.73 53.74 2x9s s ARG 14 Cb 0.00 -2.61 0.00 0.00 0.52 0.00 0.00 34.95 32.86 2x9s s ARG 14 CO 0.00 -0.84 0.00 -3.47 0.02 0.00 0.00 175.30 171.01 2x9s n ASP 15 N -2.27 0.00 -4.69 0.23 4.64 -1.26 -5.17 116.55 108.03 2x9s n ASP 15 Ca 0.14 0.00 -0.32 0.00 -1.38 0.00 0.00 54.79 53.23 2x9s n ASP 15 Cb 0.61 0.00 -0.09 0.00 -1.04 0.00 0.00 41.12 40.60 2x9s n ASP 15 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 2x9s s SER 16 N 0.00 5.13 0.27 1.67 0.15 -1.26 -5.08 113.70 114.59 2x9s s SER 16 Ca 0.00 -0.01 -0.25 0.00 0.70 0.00 0.00 55.95 56.40 2x9s s SER 16 Cb 0.00 -1.34 -0.16 0.00 -1.71 0.00 0.00 66.02 62.81 2x9s s SER 16 CO 0.00 0.28 0.34 1.67 1.20 0.00 0.00 173.24 176.73 2x9s n GLN 17 N 1.36 0.00 -2.05 5.44 -0.06 -1.26 -4.88 117.38 115.93 2x9s n GLN 17 Ca -0.14 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.47 2x9s n GLN 17 Cb 0.53 -0.97 0.00 0.00 -4.06 0.00 0.00 30.24 25.74 2x9s n GLN 17 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2x9s s ALA 18 N -1.22 3.09 -0.91 1.69 0.00 -1.26 -4.96 121.76 118.18 2x9s s ALA 18 Ca 0.60 1.17 0.17 0.00 0.00 0.00 0.00 51.96 53.91 2x9s s ALA 18 Cb -0.79 -3.47 -0.17 0.00 0.00 0.00 0.00 23.12 18.69 2x9s s ALA 18 CO 0.57 -0.89 0.76 1.63 0.00 0.00 0.00 175.76 177.83 2x9s n LYS 19 N -0.28 1.30 -3.30 0.00 4.01 -1.26 -5.02 118.16 113.61 2x9s n LYS 19 Ca 0.06 -0.10 -0.24 0.00 -0.51 0.00 0.00 58.31 57.53 2x9s n LYS 19 Cb 0.45 -1.32 0.05 0.00 -0.51 0.00 0.00 35.03 33.69 2x9s n LYS 19 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2x9s n ARG 20 N -1.26 -5.79 -1.63 1.97 3.00 -1.26 -4.98 116.66 106.70 2x9s n ARG 20 Ca 0.04 0.83 -0.31 0.00 -0.01 0.00 0.00 57.85 58.40 2x9s n ARG 20 Cb 0.28 -5.74 0.05 0.00 0.00 0.00 0.00 32.46 27.05 2x9s n ARG 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2x9s s LEU 21 N -6.92 3.00 0.00 0.55 1.43 -1.26 -4.91 118.68 110.56 2x9s s LEU 21 Ca 0.43 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 2x9s s LEU 21 Cb -0.20 -4.31 0.00 0.00 0.03 0.00 0.00 46.19 41.72 2x9s s LEU 21 CO 0.53 -1.49 0.00 0.61 0.23 0.00 0.00 176.35 176.24 2x9s n GLY 22 N -2.20 1.35 3.74 -3.19 0.00 0.28 -4.94 105.19 100.23 2x9s n GLY 22 Ca 0.07 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 2x9s n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x9s s VAL 23 N -1.18 3.55 -0.04 1.61 1.01 -1.26 0.21 120.40 124.29 2x9s s VAL 23 Ca 0.00 1.35 0.13 0.00 0.00 0.00 0.00 61.98 63.46 2x9s s VAL 23 Cb 0.00 -3.86 -0.20 0.00 0.00 0.00 0.00 36.38 32.31 2x9s s VAL 23 CO 0.00 0.24 0.30 0.29 0.00 0.00 0.00 175.10 175.93 2x9s n LYS 24 N 2.23 0.50 -4.14 2.72 4.76 0.36 -4.92 118.16 119.67 2x9s n LYS 24 Ca 0.03 -0.12 -0.18 0.00 -2.87 0.00 0.00 58.31 55.17 2x9s n LYS 24 Cb 0.45 -1.31 -0.16 0.00 -1.84 0.00 0.00 35.03 32.17 2x9s n LYS 24 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2x9s s ARG 25 N -2.90 0.65 0.36 1.97 1.81 -1.05 -4.99 118.95 114.80 2x9s s ARG 25 Ca -0.04 -0.10 0.07 0.00 -1.72 0.00 0.00 55.73 53.93 2x9s s ARG 25 Cb 0.09 -0.68 -0.01 0.00 -0.45 0.00 0.00 34.95 33.90 2x9s s ARG 25 CO 0.56 -0.03 0.46 0.71 -0.68 0.00 0.00 175.30 176.32 2x9s s TYR 26 N 0.65 3.01 0.14 -0.53 1.51 -1.26 -4.94 117.35 115.93 2x9s s TYR 26 Ca -0.08 -0.28 -0.34 0.00 -1.01 0.00 0.00 57.07 55.37 2x9s s TYR 26 Cb -0.11 -2.06 -0.13 0.00 -0.11 0.00 0.00 41.96 39.55 2x9s s TYR 26 CO -0.00 -0.08 1.63 -1.91 -1.11 0.00 0.00 175.55 174.08 2x9s n GLU 27 N -1.65 2.25 -0.40 -0.62 2.13 -1.26 -1.98 120.64 119.11 2x9s n GLU 27 Ca 0.02 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.65 2x9s n GLU 27 Cb 0.59 -2.60 0.00 0.00 0.27 0.00 0.00 31.44 29.69 2x9s n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2x9s n GLY 28 N 3.59 0.78 3.79 8.31 0.00 0.18 -4.96 105.19 116.88 2x9s n GLY 28 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2x9s n GLY 28 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2x9s s GLN 29 N -0.60 3.74 0.26 1.61 0.74 -0.84 -4.87 119.66 119.71 2x9s s GLN 29 Ca 0.00 -0.20 -0.29 0.00 0.05 0.00 0.00 55.36 54.92 2x9s s GLN 29 Cb 0.00 -3.26 -0.09 0.00 1.10 0.00 0.00 33.01 30.76 2x9s s GLN 29 CO 0.00 0.55 0.94 0.14 -0.55 0.00 0.00 175.29 176.37 2x9s s VAL 30 N -0.37 4.10 0.19 1.34 -7.23 -1.26 -0.82 120.40 116.35 2x9s s VAL 30 Ca 0.11 2.03 0.00 0.00 -1.81 0.00 0.00 61.98 62.31 2x9s s VAL 30 Cb -0.12 -4.25 -0.04 0.00 0.56 0.00 0.00 36.38 32.52 2x9s s VAL 30 CO 0.01 0.42 0.06 0.68 -0.31 0.00 0.00 175.10 175.96 2x9s s VAL 31 N -1.28 0.36 0.34 1.32 -7.23 0.30 -4.94 120.40 109.28 2x9s s VAL 31 Ca 0.43 -1.97 0.09 0.00 -1.81 0.00 0.00 61.98 58.72 2x9s s VAL 31 Cb -0.24 -2.29 -0.06 0.00 0.56 0.00 0.00 36.38 34.34 2x9s s VAL 31 CO 0.30 -0.27 -0.03 -0.13 -0.31 0.00 0.00 175.10 174.66 2x9s s ARG 32 N -4.03 1.97 0.18 4.82 0.52 -1.26 -2.84 118.95 118.31 2x9s s ARG 32 Ca 0.30 -1.82 -0.33 0.00 -0.52 0.00 0.00 55.73 53.36 2x9s s ARG 32 Cb 0.07 -1.84 -0.13 0.00 0.52 0.00 0.00 34.95 33.57 2x9s s ARG 32 CO 0.07 0.14 1.63 0.00 0.02 0.00 0.00 175.30 177.16 2x9s n ALA 33 N -0.88 1.91 0.00 2.13 0.00 -1.24 -1.93 120.51 120.49 2x9s n ALA 33 Ca -0.05 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2x9s n ALA 33 Cb 0.63 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.66 2x9s n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x9s n GLY 34 N 3.61 2.77 3.69 0.00 0.00 0.35 -4.98 105.19 110.62 2x9s n GLY 34 Ca 0.17 -0.01 -0.61 0.00 0.00 0.00 0.00 46.02 45.57 2x9s n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2x9s n ASN 35 N 0.01 1.92 -4.75 1.61 4.13 -0.82 -4.45 115.26 112.92 2x9s n ASN 35 Ca 0.00 1.06 -0.41 0.00 1.68 0.00 0.00 54.58 56.91 2x9s n ASN 35 Cb 0.00 -1.05 -0.04 0.00 -1.54 0.00 0.00 39.78 37.15 2x9s n ASN 35 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2x9s s ILE 36 N 3.72 3.68 -0.07 2.41 -5.25 -1.26 -0.52 121.20 123.91 2x9s s ILE 36 Ca 1.02 1.55 0.12 0.00 -0.99 0.00 0.00 60.65 62.36 2x9s s ILE 36 Cb -1.22 -3.99 -0.18 0.00 2.95 0.00 0.00 42.46 40.02 2x9s s ILE 36 CO 0.70 0.32 0.17 0.18 -1.79 0.00 0.00 174.94 174.51 2x9s n LEU 37 N 1.83 0.00 -3.70 0.37 4.77 0.43 -4.61 117.00 116.08 2x9s n LEU 37 Ca 0.01 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.85 2x9s n LEU 37 Cb 0.45 0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 41.60 2x9s n LEU 37 CO 0.54 0.14 0.17 -0.69 -1.33 0.00 0.00 177.39 176.22 2x9s s VAL 38 N -2.61 0.01 -0.20 4.08 1.01 -1.07 0.14 120.40 121.76 2x9s s VAL 38 Ca -0.05 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.86 2x9s s VAL 38 Cb 0.06 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 35.77 2x9s s VAL 38 CO 0.52 -0.04 -0.18 -0.13 0.00 0.00 0.00 175.10 175.26 2x9s s ARG 39 N -0.16 2.85 0.10 2.72 1.81 0.13 -1.67 118.95 124.74 2x9s s ARG 39 Ca -0.03 -0.93 -0.06 0.00 -1.72 0.00 0.00 55.73 52.99 2x9s s ARG 39 Cb -0.03 -2.64 -0.02 0.00 -0.45 0.00 0.00 34.95 31.81 2x9s s ARG 39 CO 0.02 -0.28 0.14 1.14 -0.68 0.00 0.00 175.30 175.64 2x9s s GLN 40 N 1.26 0.88 -0.18 3.54 -2.07 -1.26 0.98 119.66 122.80 2x9s s GLN 40 Ca 0.02 -1.15 -0.19 0.00 -1.82 0.00 0.00 55.36 52.23 2x9s s GLN 40 Cb -0.14 0.30 -0.16 0.00 -1.09 0.00 0.00 33.01 31.92 2x9s s GLN 40 CO -0.11 -0.27 0.21 0.00 -1.32 0.00 0.00 175.29 173.80 2x9s h ARG 41 N 2.81 0.00 0.00 9.60 -0.00 -1.94 -3.42 114.38 121.42 2x9s h ARG 41 Ca -0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.14 2x9s h ARG 41 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.16 2x9s h ARG 41 CO 0.57 0.72 0.00 0.41 0.00 0.00 0.00 179.97 181.67 2x9s n GLY 42 N 1.52 1.68 2.73 0.04 0.00 -1.26 -4.80 105.19 105.10 2x9s n GLY 42 Ca -0.21 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 43.72 2x9s n GLY 42 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2x9s n THR 43 N 0.00 3.46 0.20 2.61 5.66 -1.26 -4.77 114.28 120.18 2x9s n THR 43 Ca 0.00 -4.96 0.18 0.00 -3.05 0.00 0.00 64.05 56.22 2x9s n THR 43 Cb 0.00 -1.32 0.80 0.00 -1.55 0.00 0.00 70.33 68.26 2x9s n THR 43 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2x9s h ARG 44 N 3.03 0.00 -3.99 1.09 3.08 -1.95 -3.39 114.38 112.25 2x9s h ARG 44 Ca 0.41 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.20 2x9s h ARG 44 Cb 0.45 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.23 2x9s h ARG 44 CO 1.10 0.00 -0.73 -0.06 -1.07 0.00 0.00 179.97 179.21 2x9s s PHE 45 N -4.43 0.21 -0.13 3.04 0.40 -1.26 -4.67 117.98 111.14 2x9s s PHE 45 Ca -0.04 -0.10 -0.05 0.00 -0.60 0.00 0.00 56.93 56.14 2x9s s PHE 45 Cb 0.13 -0.14 -0.04 0.00 0.51 0.00 0.00 43.02 43.49 2x9s s PHE 45 CO 0.45 -0.02 0.05 0.15 0.70 0.00 0.00 175.22 176.54 2x9s s LYS 46 N -0.23 3.47 0.19 0.44 1.02 0.76 -5.01 119.74 120.38 2x9s s LYS 46 Ca -0.01 -0.34 -0.31 0.00 0.02 0.00 0.00 55.97 55.32 2x9s s LYS 46 Cb -0.02 -3.02 -0.10 0.00 -0.52 0.00 0.00 37.83 34.16 2x9s s LYS 46 CO -0.00 0.53 1.58 -1.25 -0.92 0.00 0.00 175.35 175.29 2x9s s PRO 47 N -0.37 4.20 0.00 -1.68 0.04 -1.26 -2.48 135.00 133.44 2x9s s PRO 47 Ca 0.09 2.41 0.00 0.00 0.04 0.00 0.00 61.00 63.54 2x9s s PRO 47 Cb -0.12 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2x9s s PRO 47 CO 0.02 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.85 2x9s n GLY 48 N 3.52 3.19 3.61 0.56 0.00 -0.02 -4.85 105.19 111.20 2x9s n GLY 48 Ca 0.13 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 2x9s n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x9s s LYS 49 N 4.59 3.42 -0.83 1.61 1.02 -1.26 -2.65 119.74 125.64 2x9s s LYS 49 Ca 0.00 1.86 -0.00 0.00 0.02 0.00 0.00 55.97 57.84 2x9s s LYS 49 Cb 0.00 -4.24 0.00 0.00 -0.52 0.00 0.00 37.83 33.07 2x9s s LYS 49 CO 0.00 -1.77 0.69 0.09 -0.92 0.00 0.00 175.35 173.44 2x9s n ASN 50 N 10.26 -2.24 -3.77 2.83 3.02 -1.26 -1.24 115.26 122.86 2x9s n ASN 50 Ca 0.25 -0.42 -0.14 0.00 -0.03 0.00 0.00 54.58 54.23 2x9s n ASN 50 Cb 0.45 -3.65 -0.15 0.00 -0.61 0.00 0.00 39.78 35.81 2x9s n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2x9s s VAL 51 N -3.24 -0.06 0.44 2.41 1.01 -1.08 -2.22 120.40 117.66 2x9s s VAL 51 Ca 0.03 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.29 2x9s s VAL 51 Cb -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.24 2x9s s VAL 51 CO 0.50 0.08 0.48 -0.83 0.00 0.00 0.00 175.10 175.33 2x9s s GLY 52 N 1.08 2.06 -0.15 4.51 0.00 -0.26 -4.41 107.32 110.14 2x9s s GLY 52 Ca -0.09 -1.80 -0.04 0.00 0.00 0.00 0.00 44.72 42.79 2x9s s GLY 52 CO -0.04 -1.65 0.18 -0.29 0.00 0.00 0.00 173.10 171.30 2x9s s MET 53 N -4.26 0.11 0.89 2.90 1.75 -1.25 -2.12 119.30 117.32 2x9s s MET 53 Ca 0.51 0.32 -0.15 0.00 -1.25 0.00 0.00 55.69 55.12 2x9s s MET 53 Cb -0.06 -0.89 0.22 0.00 2.84 0.00 0.00 34.83 36.94 2x9s s MET 53 CO 0.30 -0.51 0.96 0.41 -0.65 0.00 0.00 175.02 175.53 2x9s n GLY 54 N 5.32 -2.15 0.28 2.11 0.00 -0.07 -4.84 105.19 105.84 2x9s n GLY 54 Ca -0.05 -1.58 0.05 0.00 0.00 0.00 0.00 46.02 44.43 2x9s n GLY 54 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2x9s h ARG 55 N 0.00 0.50 -0.93 1.61 3.08 -2.02 -0.26 114.38 116.36 2x9s h ARG 55 Ca -0.33 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 59.53 2x9s h ARG 55 Cb 0.98 -0.11 -0.09 0.00 0.08 0.00 0.00 29.97 30.82 2x9s h ARG 55 CO 0.23 0.33 0.20 -0.40 -1.07 0.00 0.00 179.97 179.26 2x9s n ASP 56 N -4.94 3.29 0.00 7.04 3.85 -1.26 -4.85 116.55 119.68 2x9s n ASP 56 Ca 0.14 -2.63 0.00 0.00 -0.71 0.00 0.00 54.79 51.59 2x9s n ASP 56 Cb 0.39 -0.63 0.00 0.00 -1.35 0.00 0.00 41.12 39.52 2x9s n ASP 56 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 2x9s n PHE 57 N -0.07 0.00 -1.74 2.11 3.72 -0.11 -4.57 117.46 116.80 2x9s n PHE 57 Ca 0.22 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.21 2x9s n PHE 57 Cb 0.92 -0.92 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 2x9s n PHE 57 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2x9s n THR 58 N -2.20 2.35 -4.46 4.37 -1.04 -1.26 -4.63 114.28 107.41 2x9s n THR 58 Ca 0.00 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.17 2x9s n THR 58 Cb 0.11 -1.77 -0.13 0.00 -1.82 0.00 0.00 70.33 66.72 2x9s n THR 58 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2x9s s LEU 59 N -1.95 3.15 0.07 -4.42 1.43 -0.67 -0.89 118.68 115.40 2x9s s LEU 59 Ca 0.57 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 2x9s s LEU 59 Cb -0.49 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 2x9s s LEU 59 CO 0.61 0.17 -0.10 0.72 0.23 0.00 0.00 176.35 177.97 2x9s s PHE 60 N 0.38 0.95 0.38 0.29 -0.12 -0.90 0.16 117.98 119.12 2x9s s PHE 60 Ca -0.05 -0.57 -0.26 0.00 -0.05 0.00 0.00 56.93 56.00 2x9s s PHE 60 Cb -0.14 -0.54 -0.09 0.00 -0.63 0.00 0.00 43.02 41.62 2x9s s PHE 60 CO 0.03 -0.02 1.21 0.00 -0.05 0.00 0.00 175.22 176.39 2x9s s ALA 61 N -1.85 3.27 -0.08 1.99 0.00 0.32 -1.11 121.76 124.31 2x9s s ALA 61 Ca -0.01 1.07 0.19 0.00 0.00 0.00 0.00 51.96 53.21 2x9s s ALA 61 Cb -0.07 -3.42 -0.29 0.00 0.00 0.00 0.00 23.12 19.35 2x9s s ALA 61 CO 0.00 -0.57 0.33 1.28 0.00 0.00 0.00 175.76 176.80 2x9s n LEU 62 N 0.34 0.00 -4.41 0.00 4.77 -0.94 -0.50 117.00 116.26 2x9s n LEU 62 Ca 0.03 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.78 2x9s n LEU 62 Cb 0.45 0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.60 2x9s n LEU 62 CO 0.54 0.14 -0.15 0.68 -1.33 0.00 0.00 177.39 177.27 2x9s s VAL 63 N -3.12 0.29 -0.51 4.08 -7.23 -1.26 -4.77 120.40 107.88 2x9s s VAL 63 Ca -0.08 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 57.91 2x9s s VAL 63 Cb 0.11 -2.39 0.07 0.00 0.56 0.00 0.00 36.38 34.73 2x9s s VAL 63 CO 0.83 0.00 0.58 -1.81 -0.31 0.00 0.00 175.10 174.39 2x9s s ASP 64 N -3.51 6.20 0.00 4.85 1.11 -1.26 -3.63 116.67 120.43 2x9s s ASP 64 Ca 0.31 -1.07 0.00 0.00 0.18 0.00 0.00 52.55 51.97 2x9s s ASP 64 Cb 0.02 -2.27 0.00 0.00 1.07 0.00 0.00 42.92 41.74 2x9s s ASP 64 CO 0.21 -0.86 0.00 0.61 1.18 0.00 0.00 175.17 176.31 2x9s n GLY 65 N 5.19 2.85 3.45 0.21 0.00 -1.13 -4.22 105.19 111.54 2x9s n GLY 65 Ca -0.08 -1.10 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 2x9s n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x9s s VAL 66 N -2.66 4.27 0.35 1.61 1.01 0.13 -0.54 120.40 124.58 2x9s s VAL 66 Ca 0.00 -0.19 -0.27 0.00 0.00 0.00 0.00 61.98 61.52 2x9s s VAL 66 Cb 0.00 -2.99 -0.12 0.00 0.00 0.00 0.00 36.38 33.27 2x9s s VAL 66 CO 0.00 0.35 1.18 0.52 0.00 0.00 0.00 175.10 177.15 2x9s n VAL 67 N 4.84 2.14 -3.89 2.92 0.31 0.00 -2.25 118.33 122.41 2x9s n VAL 67 Ca -0.16 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.55 2x9s n VAL 67 Cb 0.51 -1.38 -0.12 0.00 -0.91 0.00 0.00 33.84 31.94 2x9s n VAL 67 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2x9s s GLU 68 N -1.87 0.18 -0.08 5.55 -1.05 -0.13 0.49 118.70 121.79 2x9s s GLU 68 Ca 0.58 -0.15 0.00 0.00 -0.15 0.00 0.00 54.97 55.25 2x9s s GLU 68 Cb -0.59 0.07 -0.03 0.00 -0.44 0.00 0.00 34.13 33.15 2x9s s GLU 68 CO 0.60 -0.03 -0.06 -0.06 0.95 0.00 0.00 175.26 176.66 2x9s s PHE 69 N -0.52 2.95 -0.05 4.83 0.40 -1.26 -0.90 117.98 123.43 2x9s s PHE 69 Ca -0.06 -0.01 -0.01 0.00 -0.60 0.00 0.00 56.93 56.25 2x9s s PHE 69 Cb -0.04 -1.74 0.03 0.00 0.51 0.00 0.00 43.02 41.78 2x9s s PHE 69 CO 0.00 0.30 0.02 -1.14 0.70 0.00 0.00 175.22 175.10 2x9s s GLN 70 N -0.70 0.29 -0.32 0.44 0.74 0.42 -5.00 119.66 115.54 2x9s s GLN 70 Ca 0.11 0.20 -0.13 0.00 0.05 0.00 0.00 55.36 55.59 2x9s s GLN 70 Cb -0.11 -0.71 -0.03 0.00 1.10 0.00 0.00 33.01 33.26 2x9s s GLN 70 CO 0.02 -0.28 0.28 0.34 -0.55 0.00 0.00 175.29 175.10 2x9s s ASP 71 N 1.88 6.11 -0.77 6.67 -1.08 -1.26 0.16 116.67 128.38 2x9s s ASP 71 Ca 0.02 -0.17 0.03 0.00 -0.52 0.00 0.00 52.55 51.91 2x9s s ASP 71 Cb -0.12 -2.16 0.30 0.00 -1.46 0.00 0.00 42.92 39.47 2x9s s ASP 71 CO -0.04 -0.22 1.12 0.54 0.52 0.00 0.00 175.17 177.10 2x9s n ARG 72 N 5.21 3.58 0.00 4.34 1.74 0.38 -4.98 116.66 126.93 2x9s n ARG 72 Ca -0.11 -4.71 0.00 0.00 -0.77 0.00 0.00 57.85 52.26 2x9s n ARG 72 Cb 0.50 -2.34 0.00 0.00 -1.02 0.00 0.00 32.46 29.61 2x9s n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x9s n GLY 73 N 0.49 1.11 0.18 -0.13 0.00 -1.26 0.52 105.19 106.10 2x9s n GLY 73 Ca 0.32 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.60 2x9s n GLY 73 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2x9s h ARG 74 N 0.00 0.00 0.00 1.61 2.47 -2.06 -1.97 114.38 114.43 2x9s h ARG 74 Ca 0.00 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 2x9s h ARG 74 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 2x9s h ARG 74 CO 0.00 0.00 -0.75 -0.07 0.56 0.00 0.00 179.97 179.71 2x9s h LEU 75 N 0.00 0.00 0.00 3.04 3.38 -0.37 -3.50 115.31 117.86 2x9s h LEU 75 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2x9s h LEU 75 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2x9s h LEU 75 CO 0.00 0.28 0.00 0.61 0.09 0.00 0.00 178.44 179.42 2x9s n GLY 76 N 1.23 -0.00 3.57 0.83 0.00 -0.74 -4.94 105.19 105.13 2x9s n GLY 76 Ca -0.01 -2.28 -0.34 0.00 0.00 0.00 0.00 46.02 43.39 2x9s n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x9s s ARG 77 N -0.40 3.44 0.09 1.61 0.52 -1.26 0.14 118.95 123.09 2x9s s ARG 77 Ca 0.00 -0.47 0.10 0.00 -0.52 0.00 0.00 55.73 54.84 2x9s s ARG 77 Cb 0.00 -2.89 -0.04 0.00 0.52 0.00 0.00 34.95 32.55 2x9s s ARG 77 CO 0.00 0.41 -0.26 0.71 0.02 0.00 0.00 175.30 176.18 2x9s s TYR 78 N -0.08 2.27 -0.20 -0.53 1.51 0.43 -0.17 117.35 120.57 2x9s s TYR 78 Ca 0.03 -0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 55.68 2x9s s TYR 78 Cb -0.13 -1.28 0.01 0.00 -0.11 0.00 0.00 41.96 40.45 2x9s s TYR 78 CO 0.02 0.25 -0.12 0.08 -1.11 0.00 0.00 175.55 174.67 2x9s s VAL 79 N -0.96 2.68 0.29 0.71 1.01 -1.04 -0.43 120.40 122.66 2x9s s VAL 79 Ca 0.13 -0.74 0.10 0.00 0.00 0.00 0.00 61.98 61.46 2x9s s VAL 79 Cb -0.10 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 2x9s s VAL 79 CO 0.04 0.47 -0.07 -1.00 0.00 0.00 0.00 175.10 174.54 2x9s s HIS 80 N 1.38 2.50 -0.28 5.22 3.76 -0.08 -0.84 115.29 126.95 2x9s s HIS 80 Ca 0.05 -0.33 0.01 0.00 -0.15 0.00 0.00 55.06 54.64 2x9s s HIS 80 Cb -0.14 -1.20 0.08 0.00 1.11 0.00 0.00 32.58 32.43 2x9s s HIS 80 CO -0.08 0.62 0.03 0.08 -0.85 0.00 0.00 174.74 174.54 2x9s s VAL 81 N -2.45 1.35 -0.19 -0.90 1.01 -0.37 -0.96 120.40 117.90 2x9s s VAL 81 Ca 0.32 -1.47 -0.25 0.00 0.00 0.00 0.00 61.98 60.58 2x9s s VAL 81 Cb -0.04 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 2x9s s VAL 81 CO 0.18 -0.44 0.82 -0.60 0.00 0.00 0.00 175.10 175.06 2x9s s ARG 82 N 1.41 4.26 1.17 2.72 3.52 -0.95 -4.67 118.95 126.41 2x9s s ARG 82 Ca 0.04 0.97 -0.19 0.00 -0.13 0.00 0.00 55.73 56.42 2x9s s ARG 82 Cb -0.18 -3.59 0.28 0.00 -1.56 0.00 0.00 34.95 29.90 2x9s s ARG 82 CO -0.14 -0.37 1.15 -2.14 -0.81 0.00 0.00 175.30 173.00 2x9s s PRO 83 N 2.30 -0.99 -0.03 5.12 0.02 -1.26 0.19 135.00 140.35 2x9s s PRO 83 Ca 0.37 -0.17 0.00 0.00 0.02 0.00 0.00 61.00 61.22 2x9s s PRO 83 Cb -0.16 -1.63 0.04 0.00 0.02 0.00 0.00 34.50 32.76 2x9s s PRO 83 CO 0.11 -3.54 1.09 1.28 -0.33 0.00 0.00 177.00 175.61 2x9s n LEU 84 N -4.62 3.29 -0.45 -5.54 4.32 -1.26 -4.73 117.00 108.02 2x9s n LEU 84 Ca 0.14 -1.65 0.14 0.00 -0.02 0.00 0.00 56.01 54.62 2x9s n LEU 84 Cb 0.60 -0.54 0.55 0.00 -1.62 0.00 0.00 43.42 42.41 2x9s n LEU 84 CO 0.44 0.55 0.88 0.00 -1.22 0.00 0.00 177.39 178.05