#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh2 n ARG 11 N 0.00 0.30 0.00 -2.82 0.63 -1.26 -5.02 116.66 108.49 2wh2 n ARG 11 Ca 0.00 -0.58 0.00 0.00 -0.92 0.00 0.00 57.85 56.35 2wh2 n ARG 11 Cb 0.00 0.04 0.00 0.00 0.45 0.00 0.00 32.46 32.95 2wh2 n ARG 11 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2wh2 n ASN 12 N -0.45 0.00 -0.58 6.15 5.03 -1.26 -4.92 115.26 119.23 2wh2 n ASN 12 Ca -0.16 -0.13 0.00 0.00 0.87 0.00 0.00 54.58 55.16 2wh2 n ASN 12 Cb 0.63 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.39 2wh2 n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wh2 n GLY 13 N 0.00 0.00 3.93 7.41 0.00 -1.26 -4.69 105.19 110.58 2wh2 n GLY 13 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2wh2 n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh2 s ARG 14 N -0.59 3.52 0.00 1.61 0.52 -1.26 -5.09 118.95 117.66 2wh2 s ARG 14 Ca 0.00 -0.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.86 2wh2 s ARG 14 Cb 0.00 -2.81 0.00 0.00 0.52 0.00 0.00 34.95 32.66 2wh2 s ARG 14 CO 0.00 0.36 0.00 -3.47 0.02 0.00 0.00 175.30 172.21 2wh2 n ASP 15 N -0.85 0.00 -4.83 0.23 -0.08 -1.26 -5.18 116.55 104.59 2wh2 n ASP 15 Ca -0.05 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.94 2wh2 n ASP 15 Cb 0.54 0.00 0.10 0.00 2.34 0.00 0.00 41.12 44.11 2wh2 n ASP 15 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2wh2 s SER 16 N 0.00 4.20 0.10 1.67 1.04 -1.26 -5.05 113.70 114.39 2wh2 s SER 16 Ca 0.00 1.03 -0.04 0.00 0.48 0.00 0.00 55.95 57.42 2wh2 s SER 16 Cb 0.00 -1.65 -0.05 0.00 0.10 0.00 0.00 66.02 64.42 2wh2 s SER 16 CO 0.00 -2.12 0.32 0.00 0.98 0.00 0.00 173.24 172.41 2wh2 s GLN 17 N -5.32 3.57 0.40 4.02 -2.07 -1.26 -5.05 119.66 113.94 2wh2 s GLN 17 Ca 0.62 -0.17 -0.23 0.00 -1.82 0.00 0.00 55.36 53.75 2wh2 s GLN 17 Cb -0.13 -2.94 -0.13 0.00 -1.09 0.00 0.00 33.01 28.72 2wh2 s GLN 17 CO 0.52 0.54 0.62 0.00 -1.32 0.00 0.00 175.29 175.65 2wh2 n ALA 18 N 0.32 -1.33 -0.51 2.60 0.00 -1.26 -4.96 120.51 115.36 2wh2 n ALA 18 Ca -0.05 0.21 0.07 0.00 0.00 0.00 0.00 53.44 53.67 2wh2 n ALA 18 Cb 0.52 -1.81 0.19 0.00 0.00 0.00 0.00 19.45 18.35 2wh2 n ALA 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wh2 n LYS 19 N 0.59 2.87 -3.01 0.00 4.76 -1.26 -5.03 118.16 117.08 2wh2 n LYS 19 Ca 0.12 -2.35 -0.18 0.00 -2.87 0.00 0.00 58.31 53.02 2wh2 n LYS 19 Cb 0.38 -1.49 0.01 0.00 -1.84 0.00 0.00 35.03 32.08 2wh2 n LYS 19 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2wh2 n ARG 20 N 0.03 -0.99 -3.14 1.97 5.12 -1.26 -4.93 116.66 113.46 2wh2 n ARG 20 Ca 0.15 0.57 -0.20 0.00 -1.93 0.00 0.00 57.85 56.45 2wh2 n ARG 20 Cb 0.61 -1.26 0.04 0.00 -1.16 0.00 0.00 32.46 30.68 2wh2 n ARG 20 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2wh2 s LEU 21 N -2.99 3.21 0.00 0.55 1.43 -1.26 -4.99 118.68 114.62 2wh2 s LEU 21 Ca 0.08 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 2wh2 s LEU 21 Cb -0.01 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.37 2wh2 s LEU 21 CO 0.53 -1.15 0.00 0.61 0.23 0.00 0.00 176.35 176.57 2wh2 n GLY 22 N -2.07 -0.03 3.70 -3.19 0.00 -0.34 -4.95 105.19 98.30 2wh2 n GLY 22 Ca 0.12 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 2wh2 n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh2 s VAL 23 N 0.00 4.31 -0.70 1.61 1.01 -1.26 0.01 120.40 125.38 2wh2 s VAL 23 Ca 0.00 1.64 0.16 0.00 0.00 0.00 0.00 61.98 63.78 2wh2 s VAL 23 Cb 0.00 -4.05 -0.19 0.00 0.00 0.00 0.00 36.38 32.14 2wh2 s VAL 23 CO 0.00 0.05 0.66 0.29 0.00 0.00 0.00 175.10 176.11 2wh2 n LYS 24 N 4.65 1.48 -3.48 2.72 4.76 0.33 -4.82 118.16 123.80 2wh2 n LYS 24 Ca 0.10 -0.02 -0.22 0.00 -2.87 0.00 0.00 58.31 55.30 2wh2 n LYS 24 Cb 0.47 -1.29 -0.13 0.00 -1.84 0.00 0.00 35.03 32.25 2wh2 n LYS 24 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2wh2 s ARG 25 N -2.61 0.23 0.98 1.97 1.81 -1.05 -4.97 118.95 115.31 2wh2 s ARG 25 Ca 0.05 -0.18 -0.12 0.00 -1.72 0.00 0.00 55.73 53.76 2wh2 s ARG 25 Cb 0.12 -1.04 0.18 0.00 -0.45 0.00 0.00 34.95 33.76 2wh2 s ARG 25 CO 0.68 -0.91 1.08 0.71 -0.68 0.00 0.00 175.30 176.18 2wh2 s TYR 26 N 2.25 1.99 0.14 -0.53 4.12 -1.26 -4.94 117.35 119.12 2wh2 s TYR 26 Ca 0.08 1.22 -0.33 0.00 0.02 0.00 0.00 57.07 58.06 2wh2 s TYR 26 Cb -0.15 -3.19 -0.12 0.00 -1.52 0.00 0.00 41.96 36.98 2wh2 s TYR 26 CO -0.28 -2.89 1.71 -1.91 0.02 0.00 0.00 175.55 172.21 2wh2 n GLU 27 N -4.22 2.48 0.00 -0.62 2.13 -1.26 -3.13 120.64 116.02 2wh2 n GLU 27 Ca 0.06 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.78 2wh2 n GLU 27 Cb 0.55 -2.73 0.00 0.00 0.27 0.00 0.00 31.44 29.54 2wh2 n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wh2 n GLY 28 N 3.86 3.15 3.53 8.31 0.00 0.35 -4.98 105.19 119.42 2wh2 n GLY 28 Ca 0.18 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 2wh2 n GLY 28 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wh2 n GLN 29 N 0.00 0.56 -3.32 1.61 6.02 -1.18 -4.30 117.38 116.77 2wh2 n GLN 29 Ca 0.00 0.23 -0.33 0.00 -0.01 0.00 0.00 57.00 56.89 2wh2 n GLN 29 Cb 0.00 -1.95 -0.06 0.00 1.02 0.00 0.00 30.24 29.26 2wh2 n GLN 29 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2wh2 s VAL 30 N -1.72 4.83 0.02 5.09 1.01 -1.26 -2.16 120.40 126.22 2wh2 s VAL 30 Ca 0.71 0.73 -0.15 0.00 0.00 0.00 0.00 61.98 63.27 2wh2 s VAL 30 Cb -0.40 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.34 2wh2 s VAL 30 CO 0.52 0.02 0.33 0.68 0.00 0.00 0.00 175.10 176.65 2wh2 s VAL 31 N -1.73 0.07 0.13 2.92 -7.23 -0.56 -4.99 120.40 109.01 2wh2 s VAL 31 Ca 0.46 -0.58 -0.03 0.00 -1.81 0.00 0.00 61.98 60.02 2wh2 s VAL 31 Cb -0.12 -0.85 -0.05 0.00 0.56 0.00 0.00 36.38 35.92 2wh2 s VAL 31 CO 0.20 -0.32 0.34 -0.13 -0.31 0.00 0.00 175.10 174.88 2wh2 s ARG 32 N -2.15 3.57 0.40 4.82 0.52 -1.26 -1.59 118.95 123.25 2wh2 s ARG 32 Ca -0.08 -0.20 -0.24 0.00 -0.52 0.00 0.00 55.73 54.69 2wh2 s ARG 32 Cb -0.02 -2.89 -0.12 0.00 0.52 0.00 0.00 34.95 32.44 2wh2 s ARG 32 CO -0.01 0.49 0.84 0.00 0.02 0.00 0.00 175.30 176.64 2wh2 n ALA 33 N 0.02 -0.53 0.00 2.13 0.00 -1.26 -1.85 120.51 119.02 2wh2 n ALA 33 Ca -0.03 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2wh2 n ALA 33 Cb 0.52 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.01 2wh2 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh2 n GLY 34 N 1.42 2.87 1.93 0.00 0.00 -0.55 -4.94 105.19 105.91 2wh2 n GLY 34 Ca 0.11 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 2wh2 n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wh2 n ASN 35 N 2.01 0.59 -4.78 1.61 3.02 -0.77 -4.04 115.26 112.90 2wh2 n ASN 35 Ca 0.00 0.61 -0.37 0.00 -0.03 0.00 0.00 54.58 54.79 2wh2 n ASN 35 Cb 0.00 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 38.66 2wh2 n ASN 35 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2wh2 s ILE 36 N 1.46 4.05 -0.13 2.41 -5.25 -1.26 -0.08 121.20 122.40 2wh2 s ILE 36 Ca 0.54 1.73 0.08 0.00 -0.99 0.00 0.00 60.65 62.00 2wh2 s ILE 36 Cb -0.77 -3.97 -0.13 0.00 2.95 0.00 0.00 42.46 40.54 2wh2 s ILE 36 CO 0.42 0.16 -0.01 0.18 -1.79 0.00 0.00 174.94 173.90 2wh2 n LEU 37 N 0.57 0.87 -3.78 0.37 4.77 0.34 -4.56 117.00 115.57 2wh2 n LEU 37 Ca 0.02 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2wh2 n LEU 37 Cb 0.49 0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 2wh2 n LEU 37 CO 0.46 0.43 -0.08 -0.69 -1.33 0.00 0.00 177.39 176.17 2wh2 s VAL 38 N -2.29 0.00 -0.11 4.08 1.01 -0.56 0.12 120.40 122.66 2wh2 s VAL 38 Ca -0.10 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2wh2 s VAL 38 Cb 0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 2wh2 s VAL 38 CO 0.44 -0.01 -0.17 -0.13 0.00 0.00 0.00 175.10 175.23 2wh2 s ARG 39 N 0.09 3.13 0.07 2.72 1.81 0.10 -0.95 118.95 125.91 2wh2 s ARG 39 Ca -0.00 -0.76 -0.16 0.00 -1.72 0.00 0.00 55.73 53.08 2wh2 s ARG 39 Cb -0.02 -2.47 0.03 0.00 -0.45 0.00 0.00 34.95 32.04 2wh2 s ARG 39 CO 0.00 0.26 0.38 1.14 -0.68 0.00 0.00 175.30 176.41 2wh2 s GLN 40 N 0.18 0.94 0.00 3.54 -2.07 -1.26 -1.20 119.66 119.79 2wh2 s GLN 40 Ca -0.10 -0.52 0.00 0.00 -1.82 0.00 0.00 55.36 52.92 2wh2 s GLN 40 Cb -0.16 0.42 0.00 0.00 -1.09 0.00 0.00 33.01 32.18 2wh2 s GLN 40 CO 0.06 -0.33 0.47 0.54 -1.32 0.00 0.00 175.29 174.70 2wh2 n ARG 41 N 0.27 0.00 0.00 9.60 3.00 -1.26 -4.76 116.66 123.51 2wh2 n ARG 41 Ca -0.18 0.02 0.00 0.00 -0.01 0.00 0.00 57.85 57.69 2wh2 n ARG 41 Cb 0.61 -0.97 0.00 0.00 0.00 0.00 0.00 32.46 32.10 2wh2 n ARG 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wh2 n GLY 42 N -0.49 0.48 2.81 -0.13 0.00 -1.26 -4.87 105.19 101.73 2wh2 n GLY 42 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2wh2 n GLY 42 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2wh2 n THR 43 N 0.00 2.59 0.32 2.61 5.66 -1.26 -4.76 114.28 119.44 2wh2 n THR 43 Ca 0.00 -5.40 0.20 0.00 -3.05 0.00 0.00 64.05 55.80 2wh2 n THR 43 Cb 0.00 -1.22 1.08 0.00 -1.55 0.00 0.00 70.33 68.64 2wh2 n THR 43 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2wh2 h ARG 44 N 2.96 0.00 -3.75 1.09 3.08 -1.94 -3.39 114.38 112.44 2wh2 h ARG 44 Ca 0.13 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.77 2wh2 h ARG 44 Cb 0.59 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 30.27 2wh2 h ARG 44 CO 0.77 0.01 -0.76 -0.06 -1.07 0.00 0.00 179.97 178.86 2wh2 s PHE 45 N -4.22 0.60 0.19 3.04 0.40 -1.26 -4.54 117.98 112.19 2wh2 s PHE 45 Ca -0.04 -0.13 -0.22 0.00 -0.60 0.00 0.00 56.93 55.94 2wh2 s PHE 45 Cb 0.13 -0.70 -0.08 0.00 0.51 0.00 0.00 43.02 42.88 2wh2 s PHE 45 CO 0.46 -0.27 0.74 0.15 0.70 0.00 0.00 175.22 177.00 2wh2 s LYS 46 N 1.64 4.37 0.21 0.44 1.02 -0.89 -4.94 119.74 121.59 2wh2 s LYS 46 Ca -0.00 0.97 -0.30 0.00 0.02 0.00 0.00 55.97 56.66 2wh2 s LYS 46 Cb -0.13 -3.04 -0.10 0.00 -0.52 0.00 0.00 37.83 34.05 2wh2 s LYS 46 CO -0.04 0.47 1.43 -1.25 -0.92 0.00 0.00 175.35 175.04 2wh2 s PRO 47 N -1.62 4.29 0.00 -1.68 0.04 -1.26 -2.27 135.00 132.50 2wh2 s PRO 47 Ca 0.39 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.67 2wh2 s PRO 47 Cb -0.19 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2wh2 s PRO 47 CO 0.23 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.26 2wh2 n GLY 48 N 2.59 1.75 3.70 0.56 0.00 0.35 -4.80 105.19 109.34 2wh2 n GLY 48 Ca 0.08 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 2wh2 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh2 s LYS 49 N 3.91 4.48 -1.10 1.61 1.02 -1.26 -3.37 119.74 125.03 2wh2 s LYS 49 Ca 0.00 1.38 -0.06 0.00 0.02 0.00 0.00 55.97 57.31 2wh2 s LYS 49 Cb 0.00 -3.51 0.01 0.00 -0.52 0.00 0.00 37.83 33.81 2wh2 s LYS 49 CO 0.00 -0.19 0.81 0.09 -0.92 0.00 0.00 175.35 175.14 2wh2 n ASN 50 N 4.51 -5.35 -3.45 2.83 3.02 -1.26 -1.46 115.26 114.10 2wh2 n ASN 50 Ca 0.07 -0.37 -0.14 0.00 -0.03 0.00 0.00 54.58 54.11 2wh2 n ASN 50 Cb 0.50 -4.02 -0.11 0.00 -0.61 0.00 0.00 39.78 35.54 2wh2 n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wh2 s VAL 51 N -3.20 -0.44 0.42 2.41 1.01 -1.22 -1.80 120.40 117.59 2wh2 s VAL 51 Ca 0.40 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.33 2wh2 s VAL 51 Cb -0.18 -0.72 0.08 0.00 0.00 0.00 0.00 36.38 35.57 2wh2 s VAL 51 CO 0.50 -0.15 0.58 0.61 0.00 0.00 0.00 175.10 176.64 2wh2 n GLY 52 N 5.34 1.02 3.53 4.51 0.00 -0.83 -3.96 105.19 114.79 2wh2 n GLY 52 Ca -0.05 -2.05 -0.08 0.00 0.00 0.00 0.00 46.02 43.84 2wh2 n GLY 52 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2wh2 s MET 53 N -3.94 0.72 0.13 1.61 0.23 -1.25 -1.91 119.30 114.88 2wh2 s MET 53 Ca 0.40 -0.20 -0.19 0.00 -1.03 0.00 0.00 55.69 54.67 2wh2 s MET 53 Cb -0.02 0.33 0.06 0.00 -1.53 0.00 0.00 34.83 33.67 2wh2 s MET 53 CO 0.26 -0.30 0.88 0.41 -2.03 0.00 0.00 175.02 174.24 2wh2 n GLY 54 N -0.07 0.66 5.62 3.16 0.00 -1.10 -4.93 105.19 108.53 2wh2 n GLY 54 Ca -0.08 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.85 2wh2 n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh2 n ARG 55 N -0.62 0.00 -0.87 1.61 5.12 -1.26 0.37 116.66 121.01 2wh2 n ARG 55 Ca -0.01 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 55.96 2wh2 n ARG 55 Cb 0.48 0.00 0.37 0.00 -1.16 0.00 0.00 32.46 32.15 2wh2 n ARG 55 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2wh2 n ASP 56 N 0.10 5.36 -0.47 0.55 3.85 -1.26 -4.92 116.55 119.77 2wh2 n ASP 56 Ca 0.00 -3.01 -0.06 0.00 -0.71 0.00 0.00 54.79 51.01 2wh2 n ASP 56 Cb 0.00 -0.68 -0.03 0.00 -1.35 0.00 0.00 41.12 39.06 2wh2 n ASP 56 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 2wh2 n PHE 57 N 0.34 0.00 -2.52 2.11 3.72 0.16 -4.63 117.46 116.64 2wh2 n PHE 57 Ca 0.29 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.27 2wh2 n PHE 57 Cb 1.20 -1.39 -0.03 0.00 -0.94 0.00 0.00 39.48 38.32 2wh2 n PHE 57 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2wh2 s THR 58 N -2.19 4.31 -0.23 4.37 2.01 -1.18 -4.45 115.64 118.28 2wh2 s THR 58 Ca 0.00 1.67 -0.11 0.00 0.31 0.00 0.00 61.69 63.56 2wh2 s THR 58 Cb 0.00 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 2wh2 s THR 58 CO 0.00 0.14 0.17 -0.76 -0.69 0.00 0.00 174.62 173.48 2wh2 s LEU 59 N 0.99 4.13 0.07 4.42 1.43 -0.13 -2.70 118.68 126.89 2wh2 s LEU 59 Ca 0.56 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.83 2wh2 s LEU 59 Cb -0.27 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 2wh2 s LEU 59 CO 0.29 0.07 -0.08 0.72 0.23 0.00 0.00 176.35 177.59 2wh2 s PHE 60 N 0.97 0.81 0.67 0.29 -0.12 -0.80 0.13 117.98 119.93 2wh2 s PHE 60 Ca 0.08 -0.69 -0.17 0.00 -0.05 0.00 0.00 56.93 56.11 2wh2 s PHE 60 Cb -0.13 -0.47 0.00 0.00 -0.63 0.00 0.00 43.02 41.79 2wh2 s PHE 60 CO 0.04 -0.10 1.25 0.00 -0.05 0.00 0.00 175.22 176.35 2wh2 s ALA 61 N -2.41 2.30 -0.06 1.99 0.00 0.89 -1.96 121.76 122.50 2wh2 s ALA 61 Ca 0.01 1.05 0.04 0.00 0.00 0.00 0.00 51.96 53.05 2wh2 s ALA 61 Cb -0.03 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 2wh2 s ALA 61 CO -0.02 -1.64 0.10 1.28 0.00 0.00 0.00 175.76 175.49 2wh2 n LEU 62 N -2.17 0.06 -3.67 0.00 4.77 -0.74 -1.48 117.00 113.75 2wh2 n LEU 62 Ca 0.15 -0.18 -0.14 0.00 -0.03 0.00 0.00 56.01 55.80 2wh2 n LEU 62 Cb 0.49 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.50 2wh2 n LEU 62 CO 0.47 0.01 0.25 0.68 -1.33 0.00 0.00 177.39 177.47 2wh2 s VAL 63 N -1.91 0.00 0.29 4.08 -7.23 -1.26 -4.80 120.40 109.57 2wh2 s VAL 63 Ca -0.00 -0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 59.85 2wh2 s VAL 63 Cb 0.02 -0.79 -0.13 0.00 0.56 0.00 0.00 36.38 36.04 2wh2 s VAL 63 CO 0.15 -0.01 1.21 0.47 -0.31 0.00 0.00 175.10 176.60 2wh2 n ASP 64 N 2.55 2.15 0.00 4.85 9.92 -1.26 -4.36 116.55 130.40 2wh2 n ASP 64 Ca -0.14 1.18 0.00 0.00 -0.53 0.00 0.00 54.79 55.30 2wh2 n ASP 64 Cb 0.56 -1.39 0.00 0.00 -0.64 0.00 0.00 41.12 39.66 2wh2 n ASP 64 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wh2 n GLY 65 N 1.29 -0.64 3.72 0.44 0.00 -0.62 -4.26 105.19 105.12 2wh2 n GLY 65 Ca 0.08 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 2wh2 n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh2 s VAL 66 N -3.00 4.02 -0.24 1.61 1.01 -0.16 -1.50 120.40 122.14 2wh2 s VAL 66 Ca 0.00 -1.31 -0.15 0.00 0.00 0.00 0.00 61.98 60.52 2wh2 s VAL 66 Cb 0.00 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2wh2 s VAL 66 CO 0.00 -0.13 0.39 -0.69 0.00 0.00 0.00 175.10 174.67 2wh2 s VAL 67 N -1.77 5.18 -0.09 2.92 1.01 -0.92 -0.31 120.40 126.43 2wh2 s VAL 67 Ca 0.29 0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.94 2wh2 s VAL 67 Cb -0.09 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.58 2wh2 s VAL 67 CO 0.21 0.20 -0.20 -1.83 0.00 0.00 0.00 175.10 173.48 2wh2 s GLU 68 N 1.73 2.57 -0.14 2.72 -1.05 0.89 0.13 118.70 125.55 2wh2 s GLU 68 Ca 0.17 -0.71 -0.09 0.00 -0.15 0.00 0.00 54.97 54.19 2wh2 s GLU 68 Cb -0.15 -2.00 -0.05 0.00 -0.44 0.00 0.00 34.13 31.49 2wh2 s GLU 68 CO 0.09 0.10 0.17 -0.06 0.95 0.00 0.00 175.26 176.51 2wh2 s PHE 69 N 0.52 3.53 0.04 4.83 0.40 -1.26 -0.64 117.98 125.40 2wh2 s PHE 69 Ca -0.16 0.50 0.06 0.00 -0.60 0.00 0.00 56.93 56.73 2wh2 s PHE 69 Cb -0.17 -2.08 -0.02 0.00 0.51 0.00 0.00 43.02 41.26 2wh2 s PHE 69 CO 0.06 0.53 -0.16 -1.14 0.70 0.00 0.00 175.22 175.21 2wh2 s GLN 70 N -0.42 1.06 -0.63 0.44 0.74 0.22 -4.99 119.66 116.08 2wh2 s GLN 70 Ca 0.13 -0.83 0.03 0.00 0.05 0.00 0.00 55.36 54.75 2wh2 s GLN 70 Cb -0.12 -1.10 0.16 0.00 1.10 0.00 0.00 33.01 33.04 2wh2 s GLN 70 CO 0.03 0.27 0.41 0.34 -0.55 0.00 0.00 175.29 175.79 2wh2 s ASP 71 N -1.19 4.76 0.00 6.67 2.15 -1.26 -0.20 116.67 127.59 2wh2 s ASP 71 Ca 0.03 -3.36 0.00 0.00 0.43 0.00 0.00 52.55 49.65 2wh2 s ASP 71 Cb -0.08 -1.69 0.00 0.00 -0.30 0.00 0.00 42.92 40.85 2wh2 s ASP 71 CO 0.02 -0.19 0.58 0.54 -0.17 0.00 0.00 175.17 175.94 2wh2 n ARG 72 N 2.68 0.33 0.00 4.34 5.12 0.18 -4.90 116.66 124.40 2wh2 n ARG 72 Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 2wh2 n ARG 72 Cb 0.34 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.31 2wh2 n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wh2 n GLY 73 N 1.61 2.16 2.27 -0.13 0.00 -1.25 -1.78 105.19 108.06 2wh2 n GLY 73 Ca 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 2wh2 n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh2 n ARG 74 N 14.00 0.99 0.00 1.61 5.12 -1.26 -2.11 116.66 135.01 2wh2 n ARG 74 Ca 0.00 -0.51 0.00 0.00 -1.93 0.00 0.00 57.85 55.41 2wh2 n ARG 74 Cb 0.00 -1.76 0.00 0.00 -1.16 0.00 0.00 32.46 29.54 2wh2 n ARG 74 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2wh2 n LEU 75 N 2.80 0.00 0.00 0.55 0.00 -0.74 -5.17 117.00 114.45 2wh2 n LEU 75 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.22 2wh2 n LEU 75 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.86 2wh2 n LEU 75 CO 0.20 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.20 2wh2 n GLY 76 N 1.11 1.12 3.05 -3.96 0.00 -0.90 -5.01 105.19 100.60 2wh2 n GLY 76 Ca 0.00 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 2wh2 n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh2 s ARG 77 N -1.81 1.78 0.39 1.61 0.52 -1.26 -0.65 118.95 119.54 2wh2 s ARG 77 Ca 0.00 -2.01 -0.15 0.00 -0.52 0.00 0.00 55.73 53.05 2wh2 s ARG 77 Cb 0.00 -3.38 -0.08 0.00 0.52 0.00 0.00 34.95 32.01 2wh2 s ARG 77 CO 0.00 -1.02 0.82 0.71 0.02 0.00 0.00 175.30 175.83 2wh2 s TYR 78 N 0.74 3.40 -0.08 -0.53 1.51 0.72 -2.10 117.35 121.02 2wh2 s TYR 78 Ca 0.11 1.26 0.00 0.00 -1.01 0.00 0.00 57.07 57.44 2wh2 s TYR 78 Cb -0.21 -2.59 0.02 0.00 -0.11 0.00 0.00 41.96 39.07 2wh2 s TYR 78 CO -0.05 -0.07 -0.06 0.08 -1.11 0.00 0.00 175.55 174.34 2wh2 s VAL 79 N -2.23 0.77 0.11 0.71 1.01 -0.96 0.73 120.40 120.54 2wh2 s VAL 79 Ca 0.55 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 62.32 2wh2 s VAL 79 Cb -0.10 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 2wh2 s VAL 79 CO 0.23 0.30 0.07 -1.38 0.00 0.00 0.00 175.10 174.32 2wh2 s HIS 80 N 1.35 0.66 -0.16 5.22 -3.43 0.19 -0.49 115.29 118.61 2wh2 s HIS 80 Ca -0.03 -1.08 -0.03 0.00 -0.80 0.00 0.00 55.06 53.11 2wh2 s HIS 80 Cb -0.14 -0.37 -0.02 0.00 -1.43 0.00 0.00 32.58 30.62 2wh2 s HIS 80 CO -0.03 -0.51 -0.05 0.08 -2.00 0.00 0.00 174.74 172.23 2wh2 s VAL 81 N -3.99 3.69 -0.39 -5.38 1.01 -0.54 -0.07 120.40 114.73 2wh2 s VAL 81 Ca 0.17 -0.42 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 2wh2 s VAL 81 Cb 0.07 -2.62 0.05 0.00 0.00 0.00 0.00 36.38 33.88 2wh2 s VAL 81 CO -0.03 0.48 0.22 0.00 0.00 0.00 0.00 175.10 175.78 2wh2 s ARG 82 N 0.55 2.73 1.24 2.72 1.70 0.58 -4.49 118.95 123.99 2wh2 s ARG 82 Ca -0.04 -1.22 -0.18 0.00 -0.47 0.00 0.00 55.73 53.82 2wh2 s ARG 82 Cb -0.15 -3.74 0.27 0.00 -0.57 0.00 0.00 34.95 30.76 2wh2 s ARG 82 CO 0.03 -0.79 0.63 -0.35 -1.08 0.00 0.00 175.30 173.73 2wh2 n PRO 83 N 4.96 -3.13 -3.22 3.89 -0.04 -1.26 -0.99 135.00 135.21 2wh2 n PRO 83 Ca -0.11 -0.91 -0.46 0.00 -0.04 0.00 0.00 63.50 61.97 2wh2 n PRO 83 Cb 0.45 -1.85 -0.03 0.00 -0.04 0.00 0.00 33.50 32.03 2wh2 n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wh2 s LEU 84 N -4.85 6.23 0.00 1.53 1.02 -1.26 -4.71 118.68 116.64 2wh2 s LEU 84 Ca 0.59 -2.37 0.00 0.00 0.02 0.00 0.00 54.13 52.38 2wh2 s LEU 84 Cb -0.15 -2.26 0.00 0.00 0.02 0.00 0.00 46.19 43.81 2wh2 s LEU 84 CO 0.56 -0.75 0.33 0.00 0.02 0.00 0.00 176.35 176.52