#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 n ARG 11 N 0.00 0.25 0.00 -2.82 0.63 -1.26 -5.02 116.66 108.44 2wh4 n ARG 11 Ca 0.00 -0.59 0.00 0.00 -0.92 0.00 0.00 57.85 56.34 2wh4 n ARG 11 Cb 0.00 0.02 0.00 0.00 0.45 0.00 0.00 32.46 32.93 2wh4 n ARG 11 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2wh4 n ASN 12 N -0.45 0.00 -0.64 6.15 5.03 -1.26 -4.92 115.26 119.17 2wh4 n ASN 12 Ca -0.19 -0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.25 2wh4 n ASN 12 Cb 0.63 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.39 2wh4 n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wh4 n GLY 13 N 0.00 0.00 3.92 7.41 0.00 -1.26 -4.69 105.19 110.58 2wh4 n GLY 13 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2wh4 n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh4 s ARG 14 N -0.43 3.53 0.00 1.61 0.52 -1.26 -5.09 118.95 117.83 2wh4 s ARG 14 Ca 0.00 -0.32 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 2wh4 s ARG 14 Cb 0.00 -2.86 0.00 0.00 0.52 0.00 0.00 34.95 32.61 2wh4 s ARG 14 CO 0.00 0.42 0.00 -3.47 0.02 0.00 0.00 175.30 172.27 2wh4 n ASP 15 N -0.51 0.00 -4.85 0.23 -0.08 -1.26 -5.18 116.55 104.91 2wh4 n ASP 15 Ca -0.04 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.94 2wh4 n ASP 15 Cb 0.53 0.00 0.08 0.00 2.34 0.00 0.00 41.12 44.08 2wh4 n ASP 15 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2wh4 s SER 16 N 0.00 4.61 0.13 1.67 1.04 -1.26 -5.06 113.70 114.83 2wh4 s SER 16 Ca 0.00 1.06 -0.05 0.00 0.48 0.00 0.00 55.95 57.44 2wh4 s SER 16 Cb 0.00 -1.72 -0.05 0.00 0.10 0.00 0.00 66.02 64.34 2wh4 s SER 16 CO 0.00 -1.87 0.36 0.00 0.98 0.00 0.00 173.24 172.71 2wh4 s GLN 17 N -5.35 3.61 0.46 4.02 -2.07 -1.26 -5.05 119.66 114.02 2wh4 s GLN 17 Ca 0.61 -0.11 -0.22 0.00 -1.82 0.00 0.00 55.36 53.82 2wh4 s GLN 17 Cb -0.13 -2.87 -0.11 0.00 -1.09 0.00 0.00 33.01 28.81 2wh4 s GLN 17 CO 0.52 0.49 0.66 0.00 -1.32 0.00 0.00 175.29 175.63 2wh4 n ALA 18 N 0.16 -1.01 -0.64 2.60 0.00 -1.26 -4.96 120.51 115.40 2wh4 n ALA 18 Ca -0.03 0.14 0.07 0.00 0.00 0.00 0.00 53.44 53.62 2wh4 n ALA 18 Cb 0.52 -1.86 0.19 0.00 0.00 0.00 0.00 19.45 18.30 2wh4 n ALA 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wh4 n LYS 19 N 0.31 2.76 -2.95 0.00 4.76 -1.26 -5.03 118.16 116.76 2wh4 n LYS 19 Ca 0.11 -2.43 -0.16 0.00 -2.87 0.00 0.00 58.31 52.96 2wh4 n LYS 19 Cb 0.41 -1.54 0.01 0.00 -1.84 0.00 0.00 35.03 32.06 2wh4 n LYS 19 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2wh4 n ARG 20 N -0.24 -0.89 -3.02 1.97 5.12 -1.26 -4.93 116.66 113.41 2wh4 n ARG 20 Ca 0.16 0.51 -0.19 0.00 -1.93 0.00 0.00 57.85 56.39 2wh4 n ARG 20 Cb 0.65 -1.15 0.05 0.00 -1.16 0.00 0.00 32.46 30.85 2wh4 n ARG 20 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2wh4 s LEU 21 N -2.91 3.26 0.00 0.55 1.43 -1.26 -4.99 118.68 114.75 2wh4 s LEU 21 Ca 0.06 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 2wh4 s LEU 21 Cb -0.01 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.28 2wh4 s LEU 21 CO 0.48 -1.18 0.00 0.61 0.23 0.00 0.00 176.35 176.49 2wh4 n GLY 22 N -2.14 -0.17 3.70 -3.19 0.00 -0.35 -4.95 105.19 98.09 2wh4 n GLY 22 Ca 0.13 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 2wh4 n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh4 s VAL 23 N -0.11 4.18 -0.61 1.61 1.01 -1.26 -0.30 120.40 124.91 2wh4 s VAL 23 Ca 0.00 1.55 0.16 0.00 0.00 0.00 0.00 61.98 63.69 2wh4 s VAL 23 Cb 0.00 -3.99 -0.20 0.00 0.00 0.00 0.00 36.38 32.19 2wh4 s VAL 23 CO 0.00 0.08 0.63 0.29 0.00 0.00 0.00 175.10 176.09 2wh4 n LYS 24 N 4.38 1.36 -3.50 2.72 4.76 0.37 -4.83 118.16 123.42 2wh4 n LYS 24 Ca 0.09 -0.03 -0.22 0.00 -2.87 0.00 0.00 58.31 55.28 2wh4 n LYS 24 Cb 0.47 -1.30 -0.13 0.00 -1.84 0.00 0.00 35.03 32.22 2wh4 n LYS 24 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2wh4 s ARG 25 N -2.68 0.21 0.98 1.97 1.81 -1.05 -4.97 118.95 115.22 2wh4 s ARG 25 Ca 0.04 -0.13 -0.12 0.00 -1.72 0.00 0.00 55.73 53.80 2wh4 s ARG 25 Cb 0.12 -1.13 0.18 0.00 -0.45 0.00 0.00 34.95 33.66 2wh4 s ARG 25 CO 0.68 -0.86 1.09 0.71 -0.68 0.00 0.00 175.30 176.24 2wh4 s TYR 26 N 2.25 2.11 0.13 -0.53 4.12 -1.26 -4.93 117.35 119.24 2wh4 s TYR 26 Ca 0.07 1.10 -0.33 0.00 0.02 0.00 0.00 57.07 57.94 2wh4 s TYR 26 Cb -0.15 -3.22 -0.12 0.00 -1.52 0.00 0.00 41.96 36.94 2wh4 s TYR 26 CO -0.24 -2.80 1.71 -1.91 0.02 0.00 0.00 175.55 172.33 2wh4 n GLU 27 N -4.14 2.44 0.00 -0.62 2.13 -1.26 -3.15 120.64 116.04 2wh4 n GLU 27 Ca 0.06 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.76 2wh4 n GLU 27 Cb 0.56 -2.71 0.00 0.00 0.27 0.00 0.00 31.44 29.56 2wh4 n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wh4 n GLY 28 N 3.85 3.13 3.56 8.31 0.00 0.30 -4.98 105.19 119.35 2wh4 n GLY 28 Ca 0.18 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 2wh4 n GLY 28 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wh4 n GLN 29 N 0.00 0.64 -3.31 1.61 6.02 -1.19 -4.32 117.38 116.83 2wh4 n GLN 29 Ca 0.00 0.26 -0.32 0.00 -0.01 0.00 0.00 57.00 56.93 2wh4 n GLN 29 Cb 0.00 -2.01 -0.06 0.00 1.02 0.00 0.00 30.24 29.19 2wh4 n GLN 29 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2wh4 s VAL 30 N -1.67 4.83 0.02 5.09 1.01 -1.26 -2.25 120.40 126.18 2wh4 s VAL 30 Ca 0.73 0.67 -0.16 0.00 0.00 0.00 0.00 61.98 63.21 2wh4 s VAL 30 Cb -0.40 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.39 2wh4 s VAL 30 CO 0.50 -0.10 0.36 0.68 0.00 0.00 0.00 175.10 176.54 2wh4 s VAL 31 N -1.86 0.06 0.13 2.92 -7.23 -0.09 -4.99 120.40 109.34 2wh4 s VAL 31 Ca 0.49 -0.52 -0.03 0.00 -1.81 0.00 0.00 61.98 60.11 2wh4 s VAL 31 Cb -0.11 -0.86 -0.05 0.00 0.56 0.00 0.00 36.38 35.91 2wh4 s VAL 31 CO 0.20 -0.29 0.34 -0.13 -0.31 0.00 0.00 175.10 174.91 2wh4 s ARG 32 N -2.15 3.57 0.42 4.82 0.52 -1.26 -1.43 118.95 123.43 2wh4 s ARG 32 Ca -0.08 -0.18 -0.23 0.00 -0.52 0.00 0.00 55.73 54.72 2wh4 s ARG 32 Cb -0.02 -2.89 -0.11 0.00 0.52 0.00 0.00 34.95 32.45 2wh4 s ARG 32 CO -0.00 0.50 0.83 0.00 0.02 0.00 0.00 175.30 176.64 2wh4 n ALA 33 N 0.09 -0.53 0.00 2.13 0.00 -1.26 -1.83 120.51 119.12 2wh4 n ALA 33 Ca -0.03 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2wh4 n ALA 33 Cb 0.52 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.01 2wh4 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh4 n GLY 34 N 1.43 2.83 1.85 0.00 0.00 -0.55 -4.95 105.19 105.80 2wh4 n GLY 34 Ca 0.11 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 2wh4 n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wh4 n ASN 35 N 2.26 0.40 -4.79 1.61 3.02 -0.76 -4.04 115.26 112.97 2wh4 n ASN 35 Ca 0.00 0.59 -0.37 0.00 -0.03 0.00 0.00 54.58 54.78 2wh4 n ASN 35 Cb 0.00 -0.45 -0.06 0.00 -0.61 0.00 0.00 39.78 38.66 2wh4 n ASN 35 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2wh4 s ILE 36 N 1.00 4.27 -0.13 2.41 -5.25 -1.26 0.13 121.20 122.37 2wh4 s ILE 36 Ca 0.50 1.73 0.07 0.00 -0.99 0.00 0.00 60.65 61.97 2wh4 s ILE 36 Cb -0.72 -3.97 -0.13 0.00 2.95 0.00 0.00 42.46 40.60 2wh4 s ILE 36 CO 0.37 0.12 -0.02 0.18 -1.79 0.00 0.00 174.94 173.80 2wh4 n LEU 37 N 0.51 1.12 -3.78 0.37 4.77 0.23 -4.56 117.00 115.66 2wh4 n LEU 37 Ca 0.02 -0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.84 2wh4 n LEU 37 Cb 0.50 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.46 2wh4 n LEU 37 CO 0.44 0.47 -0.10 -0.69 -1.33 0.00 0.00 177.39 176.18 2wh4 s VAL 38 N -2.29 -0.00 -0.12 4.08 1.01 -0.63 0.14 120.40 122.58 2wh4 s VAL 38 Ca -0.11 0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.89 2wh4 s VAL 38 Cb 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 2wh4 s VAL 38 CO 0.44 0.01 -0.16 -0.13 0.00 0.00 0.00 175.10 175.26 2wh4 s ARG 39 N 0.26 3.29 0.08 2.72 1.81 0.59 -1.07 118.95 126.64 2wh4 s ARG 39 Ca -0.01 -0.73 -0.14 0.00 -1.72 0.00 0.00 55.73 53.12 2wh4 s ARG 39 Cb -0.03 -2.55 0.02 0.00 -0.45 0.00 0.00 34.95 31.95 2wh4 s ARG 39 CO -0.01 0.21 0.33 1.14 -0.68 0.00 0.00 175.30 176.29 2wh4 s GLN 40 N 0.33 0.92 0.00 3.54 -2.07 -1.26 -1.22 119.66 119.90 2wh4 s GLN 40 Ca -0.13 -0.63 0.00 0.00 -1.82 0.00 0.00 55.36 52.78 2wh4 s GLN 40 Cb -0.16 0.40 0.00 0.00 -1.09 0.00 0.00 33.01 32.15 2wh4 s GLN 40 CO 0.06 -0.32 0.45 0.54 -1.32 0.00 0.00 175.29 174.70 2wh4 n ARG 41 N 0.19 0.00 0.00 9.60 3.00 -1.26 -4.75 116.66 123.43 2wh4 n ARG 41 Ca -0.17 0.01 0.00 0.00 -0.01 0.00 0.00 57.85 57.68 2wh4 n ARG 41 Cb 0.61 -0.95 0.00 0.00 0.00 0.00 0.00 32.46 32.13 2wh4 n ARG 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wh4 n GLY 42 N -0.46 0.45 2.84 -0.13 0.00 -1.26 -4.86 105.19 101.77 2wh4 n GLY 42 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2wh4 n GLY 42 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2wh4 n THR 43 N 0.00 2.74 0.32 2.61 5.66 -1.26 -4.75 114.28 119.60 2wh4 n THR 43 Ca 0.00 -5.47 0.21 0.00 -3.05 0.00 0.00 64.05 55.74 2wh4 n THR 43 Cb 0.00 -1.34 1.09 0.00 -1.55 0.00 0.00 70.33 68.53 2wh4 n THR 43 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2wh4 h ARG 44 N 3.05 0.00 -3.62 1.09 3.08 -1.94 -3.39 114.38 112.65 2wh4 h ARG 44 Ca 0.13 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.78 2wh4 h ARG 44 Cb 0.55 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 30.23 2wh4 h ARG 44 CO 0.79 0.00 -0.76 -0.06 -1.07 0.00 0.00 179.97 178.88 2wh4 s PHE 45 N -4.08 0.43 0.26 3.04 0.40 -1.26 -4.55 117.98 112.22 2wh4 s PHE 45 Ca -0.04 -0.02 -0.20 0.00 -0.60 0.00 0.00 56.93 56.07 2wh4 s PHE 45 Cb 0.12 -0.62 -0.09 0.00 0.51 0.00 0.00 43.02 42.95 2wh4 s PHE 45 CO 0.45 -0.24 0.77 0.15 0.70 0.00 0.00 175.22 177.05 2wh4 s LYS 46 N 1.75 4.26 0.19 0.44 1.02 -0.98 -4.94 119.74 121.48 2wh4 s LYS 46 Ca 0.01 0.91 -0.30 0.00 0.02 0.00 0.00 55.97 56.61 2wh4 s LYS 46 Cb -0.13 -2.76 -0.09 0.00 -0.52 0.00 0.00 37.83 34.33 2wh4 s LYS 46 CO -0.04 0.32 1.38 -1.25 -0.92 0.00 0.00 175.35 174.84 2wh4 s PRO 47 N -2.21 4.33 0.00 -1.68 0.04 -1.26 -2.34 135.00 131.88 2wh4 s PRO 47 Ca 0.47 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2wh4 s PRO 47 Cb -0.16 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2wh4 s PRO 47 CO 0.20 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.29 2wh4 n GLY 48 N 2.72 1.72 3.71 0.56 0.00 0.47 -4.79 105.19 109.57 2wh4 n GLY 48 Ca 0.08 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 2wh4 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh4 s LYS 49 N 3.78 4.53 -1.22 1.61 1.02 -1.26 -3.36 119.74 124.84 2wh4 s LYS 49 Ca 0.00 1.32 -0.07 0.00 0.02 0.00 0.00 55.97 57.24 2wh4 s LYS 49 Cb 0.00 -3.46 0.01 0.00 -0.52 0.00 0.00 37.83 33.85 2wh4 s LYS 49 CO 0.00 -0.05 0.93 0.09 -0.92 0.00 0.00 175.35 175.40 2wh4 n ASN 50 N 3.95 -5.78 -3.47 2.83 3.02 -1.26 -1.31 115.26 113.24 2wh4 n ASN 50 Ca 0.05 -0.42 -0.16 0.00 -0.03 0.00 0.00 54.58 54.01 2wh4 n ASN 50 Cb 0.51 -4.44 -0.12 0.00 -0.61 0.00 0.00 39.78 35.12 2wh4 n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wh4 s VAL 51 N -3.24 -0.38 0.47 2.41 1.01 -1.21 -1.63 120.40 117.82 2wh4 s VAL 51 Ca 0.46 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.38 2wh4 s VAL 51 Cb -0.20 -0.70 0.09 0.00 0.00 0.00 0.00 36.38 35.56 2wh4 s VAL 51 CO 0.57 -0.18 0.65 0.61 0.00 0.00 0.00 175.10 176.74 2wh4 n GLY 52 N 5.33 1.28 3.50 4.51 0.00 -0.82 -3.98 105.19 115.01 2wh4 n GLY 52 Ca -0.05 -2.10 -0.09 0.00 0.00 0.00 0.00 46.02 43.78 2wh4 n GLY 52 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2wh4 s MET 53 N -4.11 0.85 0.11 1.61 0.23 -1.25 -1.70 119.30 115.03 2wh4 s MET 53 Ca 0.45 -0.30 -0.22 0.00 -1.03 0.00 0.00 55.69 54.60 2wh4 s MET 53 Cb -0.03 0.39 0.07 0.00 -1.53 0.00 0.00 34.83 33.73 2wh4 s MET 53 CO 0.30 -0.37 1.01 0.41 -2.03 0.00 0.00 175.02 174.34 2wh4 n GLY 54 N -0.22 0.53 5.98 3.16 0.00 -1.07 -4.93 105.19 108.65 2wh4 n GLY 54 Ca -0.09 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.83 2wh4 n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh4 n ARG 55 N -0.72 0.00 -0.93 1.61 5.12 -1.26 0.22 116.66 120.70 2wh4 n ARG 55 Ca -0.00 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 55.96 2wh4 n ARG 55 Cb 0.53 0.00 0.39 0.00 -1.16 0.00 0.00 32.46 32.22 2wh4 n ARG 55 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2wh4 n ASP 56 N 0.34 5.60 -0.42 0.55 3.85 -1.26 -4.91 116.55 120.30 2wh4 n ASP 56 Ca 0.00 -3.00 -0.05 0.00 -0.71 0.00 0.00 54.79 51.03 2wh4 n ASP 56 Cb 0.00 -0.70 -0.02 0.00 -1.35 0.00 0.00 41.12 39.05 2wh4 n ASP 56 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 2wh4 n PHE 57 N 0.47 0.00 -2.47 2.11 3.72 0.13 -4.63 117.46 116.80 2wh4 n PHE 57 Ca 0.31 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.29 2wh4 n PHE 57 Cb 1.24 -1.29 -0.03 0.00 -0.94 0.00 0.00 39.48 38.46 2wh4 n PHE 57 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2wh4 s THR 58 N -2.16 4.16 -0.23 4.37 2.01 -1.17 -4.44 115.64 118.18 2wh4 s THR 58 Ca 0.00 1.56 -0.10 0.00 0.31 0.00 0.00 61.69 63.46 2wh4 s THR 58 Cb 0.00 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 2wh4 s THR 58 CO 0.00 0.13 0.15 -0.76 -0.69 0.00 0.00 174.62 173.45 2wh4 s LEU 59 N 1.01 4.11 0.07 4.42 1.43 -0.23 -2.59 118.68 126.89 2wh4 s LEU 59 Ca 0.57 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.82 2wh4 s LEU 59 Cb -0.28 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 2wh4 s LEU 59 CO 0.29 0.08 -0.08 0.72 0.23 0.00 0.00 176.35 177.59 2wh4 s PHE 60 N 0.97 0.83 0.68 0.29 -0.12 -0.69 0.78 117.98 120.72 2wh4 s PHE 60 Ca 0.07 -0.64 -0.17 0.00 -0.05 0.00 0.00 56.93 56.15 2wh4 s PHE 60 Cb -0.13 -0.48 0.01 0.00 -0.63 0.00 0.00 43.02 41.79 2wh4 s PHE 60 CO 0.04 -0.08 1.25 0.00 -0.05 0.00 0.00 175.22 176.37 2wh4 s ALA 61 N -2.17 2.26 -0.10 1.99 0.00 0.12 -1.94 121.76 121.91 2wh4 s ALA 61 Ca -0.01 1.04 0.04 0.00 0.00 0.00 0.00 51.96 53.03 2wh4 s ALA 61 Cb -0.05 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 2wh4 s ALA 61 CO -0.01 -1.70 0.13 1.28 0.00 0.00 0.00 175.76 175.46 2wh4 n LEU 62 N -2.27 0.10 -3.65 0.00 4.77 -0.64 -1.48 117.00 113.83 2wh4 n LEU 62 Ca 0.15 -0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 55.71 2wh4 n LEU 62 Cb 0.49 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.50 2wh4 n LEU 62 CO 0.47 0.03 0.31 0.68 -1.33 0.00 0.00 177.39 177.54 2wh4 s VAL 63 N -1.78 0.00 0.27 4.08 -7.23 -1.26 -4.81 120.40 109.68 2wh4 s VAL 63 Ca 0.00 -0.03 -0.30 0.00 -1.81 0.00 0.00 61.98 59.84 2wh4 s VAL 63 Cb 0.03 -0.86 -0.13 0.00 0.56 0.00 0.00 36.38 35.98 2wh4 s VAL 63 CO 0.17 -0.02 1.27 0.47 -0.31 0.00 0.00 175.10 176.68 2wh4 n ASP 64 N 2.39 2.32 0.00 4.85 9.92 -1.26 -4.37 116.55 130.40 2wh4 n ASP 64 Ca -0.15 1.17 0.00 0.00 -0.53 0.00 0.00 54.79 55.28 2wh4 n ASP 64 Cb 0.56 -1.39 0.00 0.00 -0.64 0.00 0.00 41.12 39.65 2wh4 n ASP 64 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wh4 n GLY 65 N 1.57 -0.71 3.73 0.44 0.00 -0.52 -4.25 105.19 105.45 2wh4 n GLY 65 Ca 0.10 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 2wh4 n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh4 s VAL 66 N -3.00 4.12 -0.22 1.61 1.01 -0.50 -0.92 120.40 122.51 2wh4 s VAL 66 Ca 0.00 -1.16 -0.16 0.00 0.00 0.00 0.00 61.98 60.66 2wh4 s VAL 66 Cb 0.00 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 2wh4 s VAL 66 CO 0.00 -0.04 0.39 -0.69 0.00 0.00 0.00 175.10 174.76 2wh4 s VAL 67 N -1.62 5.19 -0.09 2.92 1.01 -0.95 -0.13 120.40 126.73 2wh4 s VAL 67 Ca 0.28 0.68 0.03 0.00 0.00 0.00 0.00 61.98 62.97 2wh4 s VAL 67 Cb -0.10 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.56 2wh4 s VAL 67 CO 0.20 0.23 -0.18 -1.83 0.00 0.00 0.00 175.10 173.53 2wh4 s GLU 68 N 1.48 2.36 -0.14 2.72 -1.05 0.10 0.11 118.70 124.27 2wh4 s GLU 68 Ca 0.18 -0.64 -0.08 0.00 -0.15 0.00 0.00 54.97 54.28 2wh4 s GLU 68 Cb -0.15 -1.86 -0.04 0.00 -0.44 0.00 0.00 34.13 31.64 2wh4 s GLU 68 CO 0.08 0.08 0.14 -0.06 0.95 0.00 0.00 175.26 176.45 2wh4 s PHE 69 N 0.58 3.54 0.04 4.83 0.40 -1.26 -0.72 117.98 125.39 2wh4 s PHE 69 Ca -0.15 0.48 0.05 0.00 -0.60 0.00 0.00 56.93 56.71 2wh4 s PHE 69 Cb -0.17 -2.02 -0.02 0.00 0.51 0.00 0.00 43.02 41.32 2wh4 s PHE 69 CO 0.05 0.59 -0.15 -1.14 0.70 0.00 0.00 175.22 175.27 2wh4 s GLN 70 N -0.57 0.99 -0.64 0.44 0.74 0.32 -4.99 119.66 115.94 2wh4 s GLN 70 Ca 0.13 -0.80 0.03 0.00 0.05 0.00 0.00 55.36 54.77 2wh4 s GLN 70 Cb -0.12 -1.01 0.16 0.00 1.10 0.00 0.00 33.01 33.14 2wh4 s GLN 70 CO 0.02 0.25 0.42 0.34 -0.55 0.00 0.00 175.29 175.78 2wh4 s ASP 71 N -1.19 4.81 0.00 6.67 2.15 -1.26 -0.08 116.67 127.76 2wh4 s ASP 71 Ca 0.02 -3.37 0.00 0.00 0.43 0.00 0.00 52.55 49.64 2wh4 s ASP 71 Cb -0.08 -1.70 0.00 0.00 -0.30 0.00 0.00 42.92 40.84 2wh4 s ASP 71 CO 0.01 -0.19 0.58 0.54 -0.17 0.00 0.00 175.17 175.94 2wh4 n ARG 72 N 2.68 0.33 0.00 4.34 5.12 0.16 -4.90 116.66 124.39 2wh4 n ARG 72 Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 2wh4 n ARG 72 Cb 0.34 -1.33 0.00 0.00 -1.16 0.00 0.00 32.46 30.31 2wh4 n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wh4 n GLY 73 N 1.57 2.29 2.23 -0.13 0.00 -1.25 -1.80 105.19 108.09 2wh4 n GLY 73 Ca 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 2wh4 n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh4 n ARG 74 N 14.00 1.16 0.00 1.61 5.12 -1.26 -2.32 116.66 134.97 2wh4 n ARG 74 Ca 0.00 -0.59 0.00 0.00 -1.93 0.00 0.00 57.85 55.33 2wh4 n ARG 74 Cb 0.00 -1.80 0.00 0.00 -1.16 0.00 0.00 32.46 29.50 2wh4 n ARG 74 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2wh4 n LEU 75 N 2.76 0.00 0.00 0.55 0.00 -0.75 -5.17 117.00 114.39 2wh4 n LEU 75 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.26 2wh4 n LEU 75 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.93 2wh4 n LEU 75 CO 0.19 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.19 2wh4 n GLY 76 N 1.22 1.35 3.06 -3.96 0.00 -0.98 -5.01 105.19 100.87 2wh4 n GLY 76 Ca 0.00 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 2wh4 n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh4 s ARG 77 N -1.82 1.92 0.41 1.61 0.52 -1.26 -0.67 118.95 119.67 2wh4 s ARG 77 Ca 0.00 -2.09 -0.16 0.00 -0.52 0.00 0.00 55.73 52.96 2wh4 s ARG 77 Cb 0.00 -3.44 -0.09 0.00 0.52 0.00 0.00 34.95 31.94 2wh4 s ARG 77 CO 0.00 -1.05 0.86 0.71 0.02 0.00 0.00 175.30 175.84 2wh4 s TYR 78 N 0.63 3.39 -0.08 -0.53 1.51 0.89 -2.31 117.35 120.85 2wh4 s TYR 78 Ca 0.12 1.35 0.00 0.00 -1.01 0.00 0.00 57.07 57.53 2wh4 s TYR 78 Cb -0.22 -2.66 0.02 0.00 -0.11 0.00 0.00 41.96 39.00 2wh4 s TYR 78 CO -0.05 -0.11 -0.06 0.08 -1.11 0.00 0.00 175.55 174.30 2wh4 s VAL 79 N -2.27 0.82 0.10 0.71 1.01 -0.99 0.12 120.40 119.90 2wh4 s VAL 79 Ca 0.57 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 2wh4 s VAL 79 Cb -0.10 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 2wh4 s VAL 79 CO 0.22 0.32 0.06 -1.38 0.00 0.00 0.00 175.10 174.32 2wh4 s HIS 80 N 1.46 0.64 -0.17 5.22 -3.43 0.10 -0.39 115.29 118.72 2wh4 s HIS 80 Ca -0.01 -1.08 -0.04 0.00 -0.80 0.00 0.00 55.06 53.13 2wh4 s HIS 80 Cb -0.13 -0.38 -0.03 0.00 -1.43 0.00 0.00 32.58 30.62 2wh4 s HIS 80 CO -0.04 -0.49 -0.03 0.08 -2.00 0.00 0.00 174.74 172.25 2wh4 s VAL 81 N -3.98 3.84 -0.40 -5.38 1.01 -0.43 0.00 120.40 115.06 2wh4 s VAL 81 Ca 0.16 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.67 2wh4 s VAL 81 Cb 0.07 -2.70 0.05 0.00 0.00 0.00 0.00 36.38 33.81 2wh4 s VAL 81 CO -0.03 0.48 0.24 0.00 0.00 0.00 0.00 175.10 175.78 2wh4 s ARG 82 N 0.57 2.72 1.19 2.72 1.70 0.82 -4.50 118.95 124.18 2wh4 s ARG 82 Ca -0.03 -1.28 -0.18 0.00 -0.47 0.00 0.00 55.73 53.78 2wh4 s ARG 82 Cb -0.14 -3.77 0.23 0.00 -0.57 0.00 0.00 34.95 30.69 2wh4 s ARG 82 CO 0.03 -0.84 0.48 -0.35 -1.08 0.00 0.00 175.30 173.53 2wh4 n PRO 83 N 4.97 -2.79 -3.22 3.89 -0.04 -1.26 -1.41 135.00 135.13 2wh4 n PRO 83 Ca -0.11 -0.81 -0.46 0.00 -0.04 0.00 0.00 63.50 62.07 2wh4 n PRO 83 Cb 0.44 -1.76 -0.02 0.00 -0.04 0.00 0.00 33.50 32.11 2wh4 n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wh4 s LEU 84 N -3.52 6.26 0.00 1.53 1.02 -1.26 -4.72 118.68 117.98 2wh4 s LEU 84 Ca 0.55 -2.40 0.00 0.00 0.02 0.00 0.00 54.13 52.30 2wh4 s LEU 84 Cb -0.13 -2.26 0.00 0.00 0.02 0.00 0.00 46.19 43.83 2wh4 s LEU 84 CO 0.54 -0.74 0.34 0.00 0.02 0.00 0.00 176.35 176.51