#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1du5 s VAL 2 N 0.00 4.33 -0.30 0.00 1.01 -1.26 -0.60 120.40 123.58 1du5 s VAL 2 Ca 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.69 1du5 s VAL 2 Cb 0.00 -2.92 -0.00 0.00 0.00 0.00 0.00 36.38 33.46 1du5 s VAL 2 CO 0.00 0.49 0.13 -0.36 0.00 0.00 0.00 175.10 175.36 1du5 s PHE 3 N 0.26 3.17 -0.25 5.22 0.40 0.42 -0.46 117.98 126.74 1du5 s PHE 3 Ca 0.00 -0.66 -0.08 0.00 -0.60 0.00 0.00 56.93 55.59 1du5 s PHE 3 Cb -0.13 -2.32 -0.04 0.00 0.51 0.00 0.00 43.02 41.04 1du5 s PHE 3 CO 0.02 -0.48 0.10 -0.08 0.70 0.00 0.00 175.22 175.48 1du5 s THR 4 N 1.59 4.63 -0.33 0.64 -1.32 -0.42 -0.55 115.64 119.88 1du5 s THR 4 Ca 0.04 -0.06 -0.12 0.00 -1.21 0.00 0.00 61.69 60.34 1du5 s THR 4 Cb -0.17 -3.17 -0.01 0.00 -1.51 0.00 0.00 72.50 67.64 1du5 s THR 4 CO 0.05 0.33 0.22 -0.69 -2.21 0.00 0.00 174.62 172.31 1du5 s VAL 5 N 1.53 5.07 -0.13 5.08 1.01 0.10 -0.72 120.40 132.33 1du5 s VAL 5 Ca 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 1du5 s VAL 5 Cb -0.15 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1du5 s VAL 5 CO 0.05 0.00 -0.10 -0.69 0.00 0.00 0.00 175.10 174.36 1du5 s VAL 6 N 1.69 3.29 -0.46 2.92 1.01 -0.29 -0.69 120.40 127.86 1du5 s VAL 6 Ca 0.06 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 1du5 s VAL 6 Cb -0.17 -2.40 0.04 0.00 0.00 0.00 0.00 36.38 33.85 1du5 s VAL 6 CO 0.09 0.52 0.51 0.21 0.00 0.00 0.00 175.10 176.43 1du5 s ASN 7 N 0.31 6.20 0.00 3.32 2.47 -0.09 -1.42 114.94 125.73 1du5 s ASN 7 Ca -0.08 -0.84 0.23 0.00 0.42 0.00 0.00 52.86 52.58 1du5 s ASN 7 Cb -0.15 -2.25 0.10 0.00 -1.45 0.00 0.00 41.25 37.50 1du5 s ASN 7 CO 0.05 -0.71 1.16 0.00 -3.72 0.00 0.00 177.10 173.88 1du5 n GLN 8 N 5.77 1.81 -1.98 0.43 6.02 -0.21 -0.19 117.38 129.03 1du5 n GLN 8 Ca -0.07 -1.49 -0.39 0.00 -0.01 0.00 0.00 57.00 55.03 1du5 n GLN 8 Cb 0.46 -1.45 0.01 0.00 1.02 0.00 0.00 30.24 30.28 1du5 n GLN 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1du5 n PRO 10 N -0.19 0.37 -3.59 0.00 -0.04 -1.26 -4.36 135.00 125.92 1du5 n PRO 10 Ca 0.05 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.39 1du5 n PRO 10 Cb 0.44 -1.32 -0.06 0.00 -0.04 0.00 0.00 33.50 32.52 1du5 n PRO 10 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1du5 s PHE 11 N 0.75 -0.57 0.27 0.54 -0.12 -1.26 -5.05 117.98 112.54 1du5 s PHE 11 Ca 0.00 1.22 -0.30 0.00 -0.05 0.00 0.00 56.93 57.80 1du5 s PHE 11 Cb 0.00 0.37 -0.11 0.00 -0.63 0.00 0.00 43.02 42.65 1du5 s PHE 11 CO 0.00 -0.38 1.53 0.99 -0.05 0.00 0.00 175.22 177.31 1du5 s THR 12 N -0.37 2.34 0.34 -4.49 2.01 -1.26 -4.64 115.64 109.57 1du5 s THR 12 Ca -0.02 0.28 0.09 0.00 0.31 0.00 0.00 61.69 62.36 1du5 s THR 12 Cb -0.03 -3.18 -0.06 0.00 0.01 0.00 0.00 72.50 69.24 1du5 s THR 12 CO 0.01 0.04 -0.04 0.68 -0.69 0.00 0.00 174.62 174.62 1du5 s VAL 13 N 0.07 2.44 -0.37 3.82 -7.23 -0.80 -4.65 120.40 113.68 1du5 s VAL 13 Ca 0.62 -2.09 -0.01 0.00 -1.81 0.00 0.00 61.98 58.69 1du5 s VAL 13 Cb -0.45 -2.72 0.10 0.00 0.56 0.00 0.00 36.38 33.87 1du5 s VAL 13 CO 0.45 -0.20 0.13 0.26 -0.31 0.00 0.00 175.10 175.43 1du5 s TRP 14 N -2.56 3.57 0.62 2.82 0.51 -0.39 -1.43 118.94 122.07 1du5 s TRP 14 Ca 0.34 -2.44 -0.17 0.00 -2.12 0.00 0.00 56.10 51.71 1du5 s TRP 14 Cb 0.01 -2.95 -0.02 0.00 -0.81 0.00 0.00 33.47 29.70 1du5 s TRP 14 CO 0.18 -0.94 1.14 0.00 -0.51 0.00 0.00 176.95 176.82 1du5 s ALA 15 N 1.11 2.51 0.02 0.98 0.00 0.07 -0.44 121.76 126.00 1du5 s ALA 15 Ca 0.06 0.73 -0.04 0.00 0.00 0.00 0.00 51.96 52.71 1du5 s ALA 15 Cb -0.21 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 1du5 s ALA 15 CO -0.04 -1.17 0.07 0.00 0.00 0.00 0.00 175.76 174.62 1du5 s ALA 16 N -2.02 -0.10 -0.21 0.00 0.00 0.17 -1.68 121.76 117.91 1du5 s ALA 16 Ca 0.71 -0.40 -0.10 0.00 0.00 0.00 0.00 51.96 52.17 1du5 s ALA 16 Cb -0.24 0.16 0.08 0.00 0.00 0.00 0.00 23.12 23.11 1du5 s ALA 16 CO 0.36 -0.22 0.50 0.45 0.00 0.00 0.00 175.76 176.85 1du5 s SER 17 N -1.59 -0.61 0.05 0.00 0.15 -0.16 -1.88 113.70 109.65 1du5 s SER 17 Ca -0.13 1.12 0.07 0.00 0.70 0.00 0.00 55.95 57.71 1du5 s SER 17 Cb -0.07 1.18 -0.02 0.00 -1.71 0.00 0.00 66.02 65.40 1du5 s SER 17 CO -0.01 -0.22 -0.19 0.68 1.20 0.00 0.00 173.24 174.71 1du5 s VAL 18 N 1.87 1.51 -0.53 4.45 -7.23 -0.77 -1.12 120.40 118.58 1du5 s VAL 18 Ca -0.08 -1.16 0.07 0.00 -1.81 0.00 0.00 61.98 59.00 1du5 s VAL 18 Cb -0.09 -1.33 0.43 0.00 0.56 0.00 0.00 36.38 35.95 1du5 s VAL 18 CO -0.15 0.13 1.23 -2.65 -0.31 0.00 0.00 175.10 173.35 1du5 n PRO 19 N 1.82 2.88 -4.68 4.82 -0.02 -1.26 -2.09 135.00 136.47 1du5 n PRO 19 Ca -0.18 -1.70 -0.24 0.00 -2.02 0.00 0.00 63.50 59.37 1du5 n PRO 19 Cb 0.54 -1.87 -0.16 0.00 -0.02 0.00 0.00 33.50 31.99 1du5 n PRO 19 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1du5 s VAL 20 N -1.93 1.19 0.00 -1.45 0.11 -1.25 -4.86 120.40 112.21 1du5 s VAL 20 Ca 0.30 -0.60 0.00 0.00 -2.93 0.00 0.00 61.98 58.75 1du5 s VAL 20 Cb 0.23 -1.02 0.00 0.00 -1.53 0.00 0.00 36.38 34.06 1du5 s VAL 20 CO 0.08 0.35 0.00 0.61 -3.33 0.00 0.00 175.10 172.81 1du5 n GLY 21 N 3.06 2.02 1.66 6.54 0.00 -1.26 -4.50 105.19 112.71 1du5 n GLY 21 Ca -0.17 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1du5 n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1du5 n GLY 22 N 0.00 0.98 3.48 -0.02 0.00 -0.27 -4.91 105.19 104.45 1du5 n GLY 22 Ca 0.00 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 1du5 n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1du5 s GLY 23 N 0.00 -0.51 -0.28 -0.02 0.00 -1.25 -0.99 107.32 104.27 1du5 s GLY 23 Ca 0.00 0.96 -0.23 0.00 0.00 0.00 0.00 44.72 45.45 1du5 s GLY 23 CO 0.00 0.41 1.05 -1.60 0.00 0.00 0.00 173.10 172.96 1du5 s ARG 24 N -2.94 0.45 0.05 2.90 3.52 -0.68 -4.67 118.95 117.58 1du5 s ARG 24 Ca 0.01 0.58 -0.31 0.00 -0.13 0.00 0.00 55.73 55.88 1du5 s ARG 24 Cb -0.01 0.19 -0.06 0.00 -1.56 0.00 0.00 34.95 33.52 1du5 s ARG 24 CO -0.07 -0.06 1.26 -1.14 -0.81 0.00 0.00 175.30 174.48 1du5 s GLN 25 N 0.45 4.38 -0.08 5.12 0.74 -1.26 -0.76 119.66 128.25 1du5 s GLN 25 Ca 0.01 1.84 0.02 0.00 0.05 0.00 0.00 55.36 57.28 1du5 s GLN 25 Cb -0.05 -3.39 0.01 0.00 1.10 0.00 0.00 33.01 30.69 1du5 s GLN 25 CO -0.09 -0.36 -0.12 -0.51 -0.55 0.00 0.00 175.29 173.66 1du5 s LEU 26 N 1.41 1.60 0.00 3.68 1.43 -0.51 -4.94 118.68 121.34 1du5 s LEU 26 Ca 0.60 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.35 1du5 s LEU 26 Cb -0.30 -0.90 0.10 0.00 0.03 0.00 0.00 46.19 45.11 1du5 s LEU 26 CO 0.28 0.01 0.65 0.59 0.23 0.00 0.00 176.35 178.11 1du5 n ASN 27 N 4.06 0.75 -4.77 2.29 3.02 -1.26 -1.90 115.26 117.44 1du5 n ASN 27 Ca -0.20 -1.66 -0.41 0.00 -0.03 0.00 0.00 54.58 52.28 1du5 n ASN 27 Cb 0.51 -0.43 -0.02 0.00 -0.61 0.00 0.00 39.78 39.23 1du5 n ASN 27 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1du5 s ARG 28 N -4.18 4.27 0.00 3.52 3.52 -1.26 -2.19 118.95 122.63 1du5 s ARG 28 Ca 0.42 2.34 0.00 0.00 -0.13 0.00 0.00 55.73 58.36 1du5 s ARG 28 Cb -0.02 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.32 1du5 s ARG 28 CO 0.28 -0.33 0.00 0.41 -0.81 0.00 0.00 175.30 174.85 1du5 n GLY 29 N 0.92 2.73 3.81 8.12 0.00 0.74 -5.00 105.19 116.50 1du5 n GLY 29 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1du5 n GLY 29 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1du5 s GLU 30 N 0.00 3.86 0.15 1.61 2.02 -0.93 -4.81 118.70 120.60 1du5 s GLU 30 Ca 0.00 1.24 0.07 0.00 0.02 0.00 0.00 54.97 56.30 1du5 s GLU 30 Cb 0.00 -2.11 -0.04 0.00 0.10 0.00 0.00 34.13 32.08 1du5 s GLU 30 CO 0.00 -0.37 -0.16 -1.12 0.02 0.00 0.00 175.26 173.63 1du5 s SER 31 N -2.25 2.36 -0.00 -0.19 0.01 -1.26 -0.92 113.70 111.44 1du5 s SER 31 Ca 0.65 -0.85 0.02 0.00 1.31 0.00 0.00 55.95 57.08 1du5 s SER 31 Cb -0.14 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 65.97 1du5 s SER 31 CO 0.22 -0.09 -0.07 0.86 0.41 0.00 0.00 173.24 174.57 1du5 s TRP 32 N -2.14 0.59 -0.08 2.43 -0.00 0.13 -4.98 118.94 114.89 1du5 s TRP 32 Ca 0.13 -0.13 0.01 0.00 -0.00 0.00 0.00 56.10 56.11 1du5 s TRP 32 Cb -0.05 -0.38 0.02 0.00 -0.00 0.00 0.00 33.47 33.06 1du5 s TRP 32 CO 0.05 -0.01 -0.11 1.03 -0.00 0.00 0.00 176.95 177.91 1du5 s ARG 33 N -0.24 1.67 0.11 5.86 0.52 -1.26 -0.72 118.95 124.88 1du5 s ARG 33 Ca 0.02 -0.37 0.10 0.00 -0.52 0.00 0.00 55.73 54.96 1du5 s ARG 33 Cb -0.03 -1.47 -0.04 0.00 0.52 0.00 0.00 34.95 33.93 1du5 s ARG 33 CO -0.00 -0.06 -0.26 0.42 0.02 0.00 0.00 175.30 175.42 1du5 s ILE 34 N 0.96 2.29 -0.21 1.52 1.01 0.28 -4.96 121.20 122.10 1du5 s ILE 34 Ca -0.09 -1.66 0.01 0.00 0.00 0.00 0.00 60.65 58.92 1du5 s ILE 34 Cb -0.15 -1.99 0.04 0.00 0.01 0.00 0.00 42.46 40.37 1du5 s ILE 34 CO 0.00 0.15 -0.13 -0.89 0.00 0.00 0.00 174.94 174.07 1du5 s THR 35 N -1.01 1.85 -0.18 2.92 2.01 -1.26 -0.44 115.64 119.53 1du5 s THR 35 Ca 0.14 -1.12 -0.08 0.00 0.31 0.00 0.00 61.69 60.93 1du5 s THR 35 Cb -0.10 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 1du5 s THR 35 CO 0.06 0.22 0.10 0.00 -0.69 0.00 0.00 174.62 174.30 1du5 s ALA 36 N 1.31 3.57 0.74 7.40 0.00 0.23 -4.94 121.76 130.07 1du5 s ALA 36 Ca -0.01 -0.71 -0.16 0.00 0.00 0.00 0.00 51.96 51.08 1du5 s ALA 36 Cb -0.16 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 20.94 1du5 s ALA 36 CO -0.09 0.22 0.84 -2.30 0.00 0.00 0.00 175.76 174.43 1du5 n PRO 37 N 3.35 0.38 -2.44 0.00 -0.02 -1.26 -0.27 135.00 134.74 1du5 n PRO 37 Ca -0.17 0.18 -0.34 0.00 -2.02 0.00 0.00 63.50 61.15 1du5 n PRO 37 Cb 0.52 -2.11 -0.02 0.00 -0.02 0.00 0.00 33.50 31.87 1du5 n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1du5 s ALA 38 N -1.90 2.81 0.00 3.55 0.00 -1.26 -3.25 121.76 121.71 1du5 s ALA 38 Ca 0.70 0.69 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1du5 s ALA 38 Cb -0.34 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1du5 s ALA 38 CO 0.53 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.22 1du5 n GLY 39 N -0.10 0.69 3.70 0.00 0.00 -0.26 -5.00 105.19 104.21 1du5 n GLY 39 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1du5 n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1du5 s THR 40 N -2.46 4.35 0.46 2.61 2.01 -1.20 -4.83 115.64 116.59 1du5 s THR 40 Ca 0.00 1.68 0.04 0.00 0.31 0.00 0.00 61.69 63.72 1du5 s THR 40 Cb 0.00 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 1du5 s THR 40 CO 0.00 0.05 0.06 0.42 -0.69 0.00 0.00 174.62 174.46 1du5 s THR 41 N 1.70 1.65 -1.62 -0.82 -4.23 -1.26 -0.47 115.64 110.59 1du5 s THR 41 Ca 0.55 -1.92 -0.15 0.00 -1.18 0.00 0.00 61.69 58.99 1du5 s THR 41 Cb -0.25 -2.58 0.12 0.00 1.34 0.00 0.00 72.50 71.14 1du5 s THR 41 CO 0.24 0.00 0.78 0.00 -0.54 0.00 0.00 174.62 175.10 1du5 n ALA 42 N -1.19 -1.37 -2.90 3.99 0.00 -1.24 -4.82 120.51 112.98 1du5 n ALA 42 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.01 1du5 n ALA 42 Cb 0.66 -3.43 -0.05 0.00 0.00 0.00 0.00 19.45 16.64 1du5 n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1du5 s ALA 43 N -3.39 3.97 0.03 0.00 0.00 -1.03 -4.69 121.76 116.65 1du5 s ALA 43 Ca 0.62 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.82 1du5 s ALA 43 Cb -0.33 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.89 1du5 s ALA 43 CO 0.90 0.77 -0.06 1.03 0.00 0.00 0.00 175.76 178.40 1du5 s ARG 44 N -2.13 0.43 -0.02 0.00 3.00 -0.89 -1.43 118.95 117.91 1du5 s ARG 44 Ca 0.30 -0.64 0.01 0.00 0.00 0.00 0.00 55.73 55.39 1du5 s ARG 44 Cb -0.13 -0.15 0.02 0.00 0.00 0.00 0.00 34.95 34.69 1du5 s ARG 44 CO 0.22 0.02 -0.01 0.42 0.00 0.00 0.00 175.30 175.94 1du5 s ILE 45 N -1.28 0.24 0.25 1.52 1.01 0.37 -1.85 121.20 121.46 1du5 s ILE 45 Ca -0.11 0.01 -0.19 0.00 0.00 0.00 0.00 60.65 60.36 1du5 s ILE 45 Cb -0.09 -0.29 0.02 0.00 0.01 0.00 0.00 42.46 42.11 1du5 s ILE 45 CO -0.00 0.14 0.63 -1.66 0.00 0.00 0.00 174.94 174.05 1du5 s TRP 46 N 0.73 -0.09 -0.14 3.97 -2.14 -0.79 -0.66 118.94 119.82 1du5 s TRP 46 Ca -0.08 -0.31 -0.05 0.00 2.66 0.00 0.00 56.10 58.32 1du5 s TRP 46 Cb -0.11 0.55 -0.04 0.00 -3.10 0.00 0.00 33.47 30.77 1du5 s TRP 46 CO -0.01 -1.11 0.03 0.00 -2.66 0.00 0.00 176.95 173.19 1du5 s ALA 47 N -3.92 3.31 0.11 2.67 0.00 -1.26 -0.66 121.76 122.01 1du5 s ALA 47 Ca 0.12 -0.77 -0.05 0.00 0.00 0.00 0.00 51.96 51.26 1du5 s ALA 47 Cb -0.04 -1.69 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 1du5 s ALA 47 CO 0.05 0.36 0.35 1.03 0.00 0.00 0.00 175.76 177.55 1du5 s ARG 48 N -0.18 3.61 0.07 0.00 0.52 0.41 -4.64 118.95 118.76 1du5 s ARG 48 Ca 0.06 -0.08 0.06 0.00 -0.52 0.00 0.00 55.73 55.24 1du5 s ARG 48 Cb -0.12 -2.92 -0.03 0.00 0.52 0.00 0.00 34.95 32.40 1du5 s ARG 48 CO 0.02 0.52 -0.16 0.99 0.02 0.00 0.00 175.30 176.69 1du5 s THR 49 N -1.56 1.24 -0.45 0.02 2.01 -1.02 -1.27 115.64 114.62 1du5 s THR 49 Ca 0.37 -1.29 -0.20 0.00 0.31 0.00 0.00 61.69 60.88 1du5 s THR 49 Cb -0.13 -1.16 0.03 0.00 0.01 0.00 0.00 72.50 71.25 1du5 s THR 49 CO 0.23 -0.13 0.62 0.61 -0.69 0.00 0.00 174.62 175.25 1du5 n GLY 50 N 1.38 -1.01 3.49 4.40 0.00 -1.26 -1.04 105.19 111.15 1du5 n GLY 50 Ca -0.20 1.22 -0.24 0.00 0.00 0.00 0.00 46.02 46.80 1du5 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1du5 s LYS 52 N -3.64 0.52 0.08 0.00 -2.85 -0.80 -4.99 119.74 108.06 1du5 s LYS 52 Ca 0.31 0.79 -0.01 0.00 -1.00 0.00 0.00 55.97 56.06 1du5 s LYS 52 Cb 0.02 0.14 -0.04 0.00 -2.06 0.00 0.00 37.83 35.89 1du5 s LYS 52 CO 0.14 -0.11 0.01 -0.06 0.10 0.00 0.00 175.35 175.42 1du5 s PHE 53 N 0.89 0.64 0.43 1.78 0.08 -1.26 -1.75 117.98 118.80 1du5 s PHE 53 Ca -0.05 -1.12 0.06 0.00 0.12 0.00 0.00 56.93 55.94 1du5 s PHE 53 Cb -0.06 -0.42 -0.05 0.00 -0.57 0.00 0.00 43.02 41.92 1du5 s PHE 53 CO -0.07 -0.44 0.10 0.16 -0.10 0.00 0.00 175.22 174.87 1du5 s ASP 54 N -2.97 4.17 0.51 1.36 3.84 0.27 -4.96 116.67 118.89 1du5 s ASP 54 Ca 0.13 -1.29 0.20 0.00 -0.00 0.00 0.00 52.55 51.59 1du5 s ASP 54 Cb 0.08 -0.25 1.28 0.00 -1.38 0.00 0.00 42.92 42.65 1du5 s ASP 54 CO -0.06 -0.58 2.03 0.00 -0.00 0.00 0.00 175.17 176.56 1du5 h ALA 55 N 1.51 2.26 0.00 2.11 0.00 -2.03 -0.03 119.26 123.08 1du5 h ALA 55 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1du5 h ALA 55 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1du5 h ALA 55 CO 0.74 -0.36 0.00 0.43 0.00 0.00 0.00 179.25 180.06 1du5 n SER 56 N -4.44 0.23 0.00 0.00 7.64 -1.26 -4.86 113.62 110.93 1du5 n SER 56 Ca 0.06 -1.62 0.00 0.00 1.01 0.00 0.00 58.87 58.32 1du5 n SER 56 Cb 0.41 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1du5 n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1du5 n GLY 57 N 0.25 0.42 3.80 0.23 0.00 -0.02 -5.01 105.19 104.86 1du5 n GLY 57 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1du5 n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1du5 s ARG 58 N -0.39 2.87 0.00 1.61 1.81 -1.25 -0.92 118.95 122.68 1du5 s ARG 58 Ca 0.00 -0.94 0.00 0.00 -1.72 0.00 0.00 55.73 53.07 1du5 s ARG 58 Cb 0.00 -2.60 0.00 0.00 -0.45 0.00 0.00 34.95 31.90 1du5 s ARG 58 CO 0.00 0.46 0.00 0.41 -0.68 0.00 0.00 175.30 175.49 1du5 n GLY 59 N -0.57 -0.53 3.32 -3.53 0.00 -0.75 -0.56 105.19 102.57 1du5 n GLY 59 Ca -0.08 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 1du5 n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1du5 s SER 60 N -4.00 -0.28 0.05 1.61 0.01 -0.71 -4.28 113.70 106.09 1du5 s SER 60 Ca 0.00 -0.00 0.07 0.00 1.31 0.00 0.00 55.95 57.33 1du5 s SER 60 Cb 0.00 0.42 -0.03 0.00 0.21 0.00 0.00 66.02 66.63 1du5 s SER 60 CO 0.00 -0.66 -0.21 0.00 0.41 0.00 0.00 173.24 172.78 1du5 h ARG 62 N 4.77 1.11 -5.21 0.00 3.08 0.77 -3.40 114.38 115.50 1du5 h ARG 62 Ca -0.43 -0.31 -0.40 0.00 0.07 0.00 0.00 59.98 58.91 1du5 h ARG 62 Cb 1.16 -0.12 -0.22 0.00 0.08 0.00 0.00 29.97 30.87 1du5 h ARG 62 CO 0.43 1.03 -0.78 0.95 -1.07 0.00 0.00 179.97 180.54 1du5 s THR 63 N -5.16 1.02 0.00 2.04 -4.23 -0.98 -4.82 115.64 103.52 1du5 s THR 63 Ca -0.12 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1du5 s THR 63 Cb 0.14 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 73.00 1du5 s THR 63 CO 0.85 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 175.35 1du5 n GLY 64 N 1.45 1.33 3.61 3.99 0.00 -0.67 -2.44 105.19 112.47 1du5 n GLY 64 Ca -0.21 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.25 1du5 n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1du5 n ASP 65 N 0.00 1.30 -3.24 1.61 2.03 -1.26 -3.77 116.55 113.22 1du5 n ASP 65 Ca 0.00 1.13 -0.36 0.00 0.52 0.00 0.00 54.79 56.08 1du5 n ASP 65 Cb 0.00 -1.07 0.00 0.00 -0.72 0.00 0.00 41.12 39.33 1du5 n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1du5 n GLY 67 N -0.22 0.24 2.77 0.00 0.00 -1.26 -4.13 105.19 102.59 1du5 n GLY 67 Ca 0.43 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1du5 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1du5 n GLY 68 N -0.98 1.83 3.78 -0.02 0.00 -1.26 -4.98 105.19 103.56 1du5 n GLY 68 Ca -0.05 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 1du5 n GLY 68 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1du5 n VAL 69 N 0.00 1.95 0.14 1.61 0.24 -1.25 -1.81 118.33 119.21 1du5 n VAL 69 Ca 0.00 -0.49 -0.09 0.00 -2.04 0.00 0.00 64.34 61.73 1du5 n VAL 69 Cb 0.00 -1.99 -0.05 0.00 -1.47 0.00 0.00 33.84 30.33 1du5 n VAL 69 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1du5 h LEU 70 N 3.06 -0.36 -8.40 1.34 5.85 -1.39 -3.39 115.31 112.02 1du5 h LEU 70 Ca -0.51 -0.08 -0.50 0.00 0.84 0.00 0.00 57.88 57.63 1du5 h LEU 70 Cb 1.24 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.31 1du5 h LEU 70 CO 0.65 0.11 1.21 -1.10 -0.34 0.00 0.00 178.44 178.97 1du5 s GLN 71 N -3.25 2.84 0.27 1.25 1.11 -1.26 -3.83 119.66 116.78 1du5 s GLN 71 Ca -0.09 0.18 -0.31 0.00 0.01 0.00 0.00 55.36 55.15 1du5 s GLN 71 Cb 0.01 -4.45 -0.12 0.00 -1.01 0.00 0.00 33.01 27.44 1du5 s GLN 71 CO 0.29 -2.60 1.64 0.00 0.01 0.00 0.00 175.29 174.63 1du5 n THR 73 N 2.74 0.00 -4.15 0.00 -1.04 -1.26 -4.40 114.28 106.16 1du5 n THR 73 Ca 0.11 -0.34 -0.09 0.00 -2.04 0.00 0.00 64.05 61.69 1du5 n THR 73 Cb 0.36 0.30 -0.03 0.00 -1.82 0.00 0.00 70.33 69.14 1du5 n THR 73 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1du5 n GLY 74 N 1.44 3.60 3.81 3.41 0.00 -1.26 -4.98 105.19 111.21 1du5 n GLY 74 Ca -0.02 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 1du5 n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1du5 s TYR 75 N -2.48 2.98 0.33 1.61 4.12 -1.26 -4.87 117.35 117.78 1du5 s TYR 75 Ca 0.15 1.27 0.07 0.00 0.02 0.00 0.00 57.07 58.58 1du5 s TYR 75 Cb 0.01 -3.01 -0.03 0.00 -1.52 0.00 0.00 41.96 37.41 1du5 s TYR 75 CO 0.11 -1.51 0.30 0.20 0.02 0.00 0.00 175.55 174.67 1du5 s GLY 76 N -3.87 1.75 0.02 0.71 0.00 -1.26 -4.58 107.32 100.08 1du5 s GLY 76 Ca 0.59 -1.63 -0.20 0.00 0.00 0.00 0.00 44.72 43.48 1du5 s GLY 76 CO 0.54 -1.56 0.59 0.50 0.00 0.00 0.00 173.10 173.18 1du5 s ARG 77 N -4.00 4.29 0.53 2.90 0.52 -0.77 -4.93 118.95 117.49 1du5 s ARG 77 Ca 0.41 0.74 -0.21 0.00 -0.52 0.00 0.00 55.73 56.15 1du5 s ARG 77 Cb -0.06 -3.31 -0.07 0.00 0.52 0.00 0.00 34.95 32.02 1du5 s ARG 77 CO 0.27 0.45 0.94 0.00 0.02 0.00 0.00 175.30 176.98 1du5 n ALA 78 N 2.42 0.08 -2.65 2.13 0.00 -1.26 -1.66 120.51 119.57 1du5 n ALA 78 Ca -0.08 0.09 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1du5 n ALA 78 Cb 0.51 -2.08 -0.04 0.00 0.00 0.00 0.00 19.45 17.84 1du5 n ALA 78 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1du5 s PRO 79 N -2.41 4.20 -0.19 0.00 0.05 -1.26 -4.75 135.00 130.65 1du5 s PRO 79 Ca 0.70 0.90 -0.10 0.00 0.05 0.00 0.00 61.00 62.55 1du5 s PRO 79 Cb -0.47 -3.62 0.06 0.00 0.05 0.00 0.00 34.50 30.52 1du5 s PRO 79 CO 0.52 -0.45 0.45 0.54 0.05 0.00 0.00 177.00 178.11 1du5 s ASN 80 N 1.30 -0.57 0.03 6.66 6.03 -0.31 -4.16 114.94 123.91 1du5 s ASN 80 Ca 0.34 0.99 -0.30 0.00 -1.03 0.00 0.00 52.86 52.87 1du5 s ASN 80 Cb -0.16 0.90 -0.07 0.00 -3.03 0.00 0.00 41.25 38.90 1du5 s ASN 80 CO 0.09 -0.20 1.54 -0.89 -2.03 0.00 0.00 177.10 175.60 1du5 s THR 81 N 1.51 3.39 -0.23 0.54 2.01 -1.21 -4.43 115.64 117.22 1du5 s THR 81 Ca -0.09 0.78 -0.08 0.00 0.31 0.00 0.00 61.69 62.61 1du5 s THR 81 Cb -0.08 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1du5 s THR 81 CO -0.14 -0.01 0.08 -0.76 -0.69 0.00 0.00 174.62 173.10 1du5 s LEU 82 N 2.67 3.62 -0.20 4.42 1.43 -0.56 -4.51 118.68 125.56 1du5 s LEU 82 Ca 0.69 -0.09 -0.18 0.00 -1.03 0.00 0.00 54.13 53.52 1du5 s LEU 82 Cb -0.35 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.88 1du5 s LEU 82 CO 0.29 0.04 0.51 0.00 0.23 0.00 0.00 176.35 177.42 1du5 s ALA 83 N 1.17 3.54 0.03 4.21 0.00 0.16 -0.46 121.76 130.42 1du5 s ALA 83 Ca 0.05 -0.41 0.04 0.00 0.00 0.00 0.00 51.96 51.64 1du5 s ALA 83 Cb -0.14 -2.79 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 1du5 s ALA 83 CO 0.04 -0.42 -0.12 -1.21 0.00 0.00 0.00 175.76 174.05 1du5 s GLU 84 N 1.57 0.85 0.15 0.00 2.02 -0.54 -0.48 118.70 122.27 1du5 s GLU 84 Ca 0.24 -0.67 -0.16 0.00 0.02 0.00 0.00 54.97 54.39 1du5 s GLU 84 Cb -0.15 -0.82 0.03 0.00 0.10 0.00 0.00 34.13 33.29 1du5 s GLU 84 CO 0.09 0.20 0.45 1.52 0.02 0.00 0.00 175.26 177.54 1du5 s TYR 85 N -0.79 -0.16 -0.05 1.61 -0.85 -0.51 -1.97 117.35 114.62 1du5 s TYR 85 Ca 0.01 -0.16 -0.02 0.00 -0.52 0.00 0.00 57.07 56.37 1du5 s TYR 85 Cb -0.07 0.30 0.04 0.00 0.38 0.00 0.00 41.96 42.60 1du5 s TYR 85 CO 0.01 -0.78 0.09 0.00 -1.52 0.00 0.00 175.55 173.35 1du5 s ALA 86 N -3.83 0.09 -0.12 9.51 0.00 0.08 -2.47 121.76 125.01 1du5 s ALA 86 Ca 0.06 0.32 -0.14 0.00 0.00 0.00 0.00 51.96 52.20 1du5 s ALA 86 Cb 0.01 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 1du5 s ALA 86 CO -0.08 -0.47 0.33 -0.51 0.00 0.00 0.00 175.76 175.03 1du5 s LEU 87 N 2.08 4.30 -0.71 0.00 1.43 0.39 -0.57 118.68 125.59 1du5 s LEU 87 Ca 0.03 0.63 -0.04 0.00 -1.03 0.00 0.00 54.13 53.72 1du5 s LEU 87 Cb -0.12 -2.44 0.01 0.00 0.03 0.00 0.00 46.19 43.67 1du5 s LEU 87 CO -0.04 0.15 0.66 1.17 0.23 0.00 0.00 176.35 178.52 1du5 n LYS 88 N 3.13 -1.54 0.00 1.70 4.81 -0.90 -1.10 118.16 124.25 1du5 n LYS 88 Ca -0.12 1.35 0.00 0.00 -0.87 0.00 0.00 58.31 58.67 1du5 n LYS 88 Cb 0.52 -4.51 0.00 0.00 0.02 0.00 0.00 35.03 31.06 1du5 n LYS 88 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1du5 n GLN 89 N -1.76 0.00 -1.64 1.64 1.13 0.16 -4.38 117.38 112.53 1du5 n GLN 89 Ca -0.09 0.00 -0.48 0.00 -1.94 0.00 0.00 57.00 54.50 1du5 n GLN 89 Cb 0.56 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.87 1du5 n GLN 89 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1du5 n PHE 90 N 0.00 1.97 -2.02 1.08 7.35 -1.26 -1.33 117.46 123.24 1du5 n PHE 90 Ca 0.00 0.43 -0.16 0.00 -0.76 0.00 0.00 57.45 56.97 1du5 n PHE 90 Cb 0.00 -2.45 -0.03 0.00 0.35 0.00 0.00 39.48 37.35 1du5 n PHE 90 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1du5 n ASN 91 N 2.81 -4.52 -3.75 -2.13 5.15 -1.26 -1.64 115.26 109.91 1du5 n ASN 91 Ca 0.16 0.23 -0.26 0.00 -0.60 0.00 0.00 54.58 54.11 1du5 n ASN 91 Cb 0.26 -3.92 0.05 0.00 -0.53 0.00 0.00 39.78 35.64 1du5 n ASN 91 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1du5 n ASN 92 N -1.44 -4.12 -4.86 1.20 5.03 -0.44 -4.93 115.26 105.69 1du5 n ASN 92 Ca -0.18 -0.72 -0.29 0.00 0.87 0.00 0.00 54.58 54.26 1du5 n ASN 92 Cb 0.59 -4.30 -0.05 0.00 -1.02 0.00 0.00 39.78 35.01 1du5 n ASN 92 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1du5 s LEU 93 N -7.08 4.11 0.08 3.41 1.43 -0.65 -0.81 118.68 119.16 1du5 s LEU 93 Ca 0.44 0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.64 1du5 s LEU 93 Cb -0.21 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 1du5 s LEU 93 CO 0.79 0.13 0.24 -1.81 0.23 0.00 0.00 176.35 175.93 1du5 s ASP 94 N -2.74 6.38 -0.07 2.29 1.01 0.27 -0.67 116.67 123.13 1du5 s ASP 94 Ca 0.33 0.31 0.03 0.00 0.71 0.00 0.00 52.55 53.93 1du5 s ASP 94 Cb -0.12 -1.98 0.00 0.00 1.01 0.00 0.00 42.92 41.84 1du5 s ASP 94 CO 0.26 0.15 -0.18 -0.36 0.21 0.00 0.00 175.17 175.24 1du5 s PHE 95 N -1.55 1.94 0.10 4.23 0.40 0.27 -2.34 117.98 121.03 1du5 s PHE 95 Ca 0.36 -0.73 -0.12 0.00 -0.60 0.00 0.00 56.93 55.84 1du5 s PHE 95 Cb -0.13 -1.34 0.01 0.00 0.51 0.00 0.00 43.02 42.08 1du5 s PHE 95 CO 0.28 -0.31 0.27 -0.59 0.70 0.00 0.00 175.22 175.57 1du5 s PHE 96 N 0.42 0.00 0.06 0.36 -0.12 -0.63 -0.75 117.98 117.33 1du5 s PHE 96 Ca -0.14 -0.37 -0.27 0.00 -0.05 0.00 0.00 56.93 56.10 1du5 s PHE 96 Cb -0.16 0.07 0.09 0.00 -0.63 0.00 0.00 43.02 42.38 1du5 s PHE 96 CO 0.05 -0.60 0.90 0.16 -0.05 0.00 0.00 175.22 175.69 1du5 s ASP 97 N -2.77 -0.31 -0.17 1.98 -4.77 -0.83 -1.45 116.67 108.34 1du5 s ASP 97 Ca 0.03 -0.15 -0.05 0.00 -3.30 0.00 0.00 52.55 49.09 1du5 s ASP 97 Cb 0.03 0.44 -0.03 0.00 -1.09 0.00 0.00 42.92 42.27 1du5 s ASP 97 CO -0.11 -0.75 -0.01 -0.63 0.70 0.00 0.00 175.17 174.38 1du5 s ILE 98 N -3.22 4.08 -0.07 2.11 1.01 -1.26 -1.47 121.20 122.38 1du5 s ILE 98 Ca 0.07 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.46 1du5 s ILE 98 Cb -0.01 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.62 1du5 s ILE 98 CO -0.05 0.47 -0.13 -0.55 0.00 0.00 0.00 174.94 174.68 1du5 s SER 99 N 0.53 4.11 0.00 3.58 0.15 0.39 -0.87 113.70 121.59 1du5 s SER 99 Ca -0.01 -0.20 0.05 0.00 0.70 0.00 0.00 55.95 56.49 1du5 s SER 99 Cb -0.14 -1.03 0.14 0.00 -1.71 0.00 0.00 66.02 63.27 1du5 s SER 99 CO 0.02 0.31 1.05 0.18 1.20 0.00 0.00 173.24 176.01 1du5 n LEU 100 N 2.53 2.30 0.09 3.45 4.32 0.23 -1.50 117.00 128.42 1du5 n LEU 100 Ca -0.17 -1.84 0.06 0.00 -0.02 0.00 0.00 56.01 54.04 1du5 n LEU 100 Cb 0.52 -0.10 0.50 0.00 -1.62 0.00 0.00 43.42 42.73 1du5 n LEU 100 CO 0.27 0.57 1.13 0.40 -1.22 0.00 0.00 177.39 178.53 1du5 h ILE 101 N 1.03 1.06 -0.84 -0.08 2.04 -1.79 -1.02 117.51 117.91 1du5 h ILE 101 Ca 0.00 -0.12 -0.51 0.00 1.00 0.00 0.00 64.86 65.23 1du5 h ILE 101 Cb 0.55 0.68 -0.27 0.00 -0.74 0.00 0.00 36.82 37.04 1du5 h ILE 101 CO 0.00 0.06 0.41 0.47 0.00 0.00 0.00 178.15 179.10 1du5 n ASP 102 N -4.50 4.92 0.00 1.72 10.43 -1.26 -4.57 116.55 123.29 1du5 n ASP 102 Ca 0.01 -3.73 0.00 0.00 2.57 0.00 0.00 54.79 53.65 1du5 n ASP 102 Cb 0.08 -0.79 0.00 0.00 1.84 0.00 0.00 41.12 42.25 1du5 n ASP 102 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1du5 n GLY 103 N -1.02 -2.35 2.90 0.44 0.00 -0.39 -1.16 105.19 103.61 1du5 n GLY 103 Ca 0.54 -1.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 1du5 n GLY 103 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1du5 s PHE 104 N -0.41 0.14 0.00 1.61 5.36 -0.30 -3.36 117.98 121.03 1du5 s PHE 104 Ca 0.00 -0.03 0.00 0.00 -0.96 0.00 0.00 56.93 55.94 1du5 s PHE 104 Cb 0.00 -0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.58 1du5 s PHE 104 CO 0.00 -0.00 0.00 0.27 -1.46 0.00 0.00 175.22 174.03 1du5 n ASN 105 N 3.06 0.09 -4.29 6.13 6.94 -1.26 -2.94 115.26 122.99 1du5 n ASN 105 Ca -0.13 0.00 -0.23 0.00 -0.02 0.00 0.00 54.58 54.21 1du5 n ASN 105 Cb 0.59 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.89 1du5 n ASN 105 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1du5 s VAL 106 N -1.98 1.68 0.67 3.53 1.01 -1.26 -4.92 120.40 119.13 1du5 s VAL 106 Ca 0.00 -1.61 -0.15 0.00 0.00 0.00 0.00 61.98 60.22 1du5 s VAL 106 Cb 0.00 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.81 1du5 s VAL 106 CO 0.00 -0.14 1.14 -2.84 0.00 0.00 0.00 175.10 173.27 1du5 s PRO 107 N -2.10 2.62 0.13 2.72 0.02 -1.26 -4.66 135.00 132.47 1du5 s PRO 107 Ca 0.08 1.53 -0.13 0.00 0.02 0.00 0.00 61.00 62.50 1du5 s PRO 107 Cb -0.09 -1.92 0.01 0.00 0.02 0.00 0.00 34.50 32.53 1du5 s PRO 107 CO 0.05 -1.42 0.34 1.41 -0.33 0.00 0.00 177.00 177.05 1du5 s MET 108 N -3.97 1.07 -0.03 5.54 1.75 -0.43 -0.88 119.30 122.35 1du5 s MET 108 Ca 0.70 -0.90 -0.02 0.00 -1.25 0.00 0.00 55.69 54.21 1du5 s MET 108 Cb -0.24 0.42 0.01 0.00 2.84 0.00 0.00 34.83 37.87 1du5 s MET 108 CO 0.42 -0.40 0.08 -1.12 -0.65 0.00 0.00 175.02 173.34 1du5 s SER 109 N -2.87 -0.07 -0.29 1.11 0.01 -1.02 -0.92 113.70 109.65 1du5 s SER 109 Ca 0.08 0.15 -0.01 0.00 1.31 0.00 0.00 55.95 57.48 1du5 s SER 109 Cb 0.03 0.14 0.09 0.00 0.21 0.00 0.00 66.02 66.49 1du5 s SER 109 CO -0.08 -0.04 0.08 0.12 0.41 0.00 0.00 173.24 173.74 1du5 s PHE 110 N 0.15 1.68 0.10 2.43 2.19 -0.39 -1.89 117.98 122.26 1du5 s PHE 110 Ca -0.01 -1.64 0.07 0.00 0.33 0.00 0.00 56.93 55.68 1du5 s PHE 110 Cb -0.02 -1.63 -0.03 0.00 -1.31 0.00 0.00 43.02 40.03 1du5 s PHE 110 CO -0.00 -0.84 -0.18 -0.51 1.83 0.00 0.00 175.22 175.51 1du5 s LEU 111 N 1.63 2.31 0.60 6.12 1.43 -0.14 -2.87 118.68 127.75 1du5 s LEU 111 Ca 0.08 -0.68 -0.20 0.00 -1.03 0.00 0.00 54.13 52.30 1du5 s LEU 111 Cb -0.17 -0.75 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 1du5 s LEU 111 CO -0.22 0.00 1.23 -2.65 0.23 0.00 0.00 176.35 174.94 1du5 n PRO 112 N 1.06 1.27 -2.67 1.29 -0.02 -1.26 -0.64 135.00 134.02 1du5 n PRO 112 Ca -0.19 0.48 -0.09 0.00 -2.02 0.00 0.00 63.50 61.68 1du5 n PRO 112 Cb 0.54 -2.45 0.03 0.00 -0.02 0.00 0.00 33.50 31.61 1du5 n PRO 112 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1du5 n ASP 113 N -1.24 1.61 0.00 2.55 4.64 0.11 -4.69 116.55 119.53 1du5 n ASP 113 Ca 0.13 -2.66 0.00 0.00 -1.38 0.00 0.00 54.79 50.88 1du5 n ASP 113 Cb 0.46 -0.52 0.00 0.00 -1.04 0.00 0.00 41.12 40.02 1du5 n ASP 113 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1du5 n GLY 114 N -0.16 -3.29 2.27 0.27 0.00 -1.26 -4.55 105.19 98.47 1du5 n GLY 114 Ca 0.10 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1du5 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1du5 n GLY 115 N -0.34 2.40 3.85 -0.02 0.00 -1.26 -0.90 105.19 108.92 1du5 n GLY 115 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1du5 n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1du5 s SER 116 N -2.61 0.00 -0.03 1.61 1.04 -1.26 -4.37 113.70 108.08 1du5 s SER 116 Ca 0.00 -0.88 0.02 0.00 0.48 0.00 0.00 55.95 55.57 1du5 s SER 116 Cb 0.00 0.65 0.10 0.00 0.10 0.00 0.00 66.02 66.88 1du5 s SER 116 CO 0.00 -1.30 0.67 0.61 0.98 0.00 0.00 173.24 174.20 1du5 n GLY 117 N -0.62 1.71 3.73 7.32 0.00 -1.26 -4.90 105.19 111.16 1du5 n GLY 117 Ca -0.05 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1du5 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1du5 n SER 119 N 2.99 0.42 -4.68 0.00 3.41 -1.26 -4.72 113.62 109.78 1du5 n SER 119 Ca 0.05 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.21 1du5 n SER 119 Cb 0.47 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.38 1du5 n SER 119 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1du5 n ARG 120 N -2.73 2.56 -3.83 4.33 0.63 -1.26 -4.33 116.66 112.03 1du5 n ARG 120 Ca 0.00 0.93 -0.10 0.00 -0.92 0.00 0.00 57.85 57.77 1du5 n ARG 120 Cb 0.34 -2.81 -0.06 0.00 0.45 0.00 0.00 32.46 30.38 1du5 n ARG 120 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1du5 s GLY 121 N 3.06 0.13 0.44 5.14 0.00 -1.26 -4.73 107.32 110.10 1du5 s GLY 121 Ca 0.85 -0.53 -0.24 0.00 0.00 0.00 0.00 44.72 44.81 1du5 s GLY 121 CO 0.42 -0.60 1.19 2.56 0.00 0.00 0.00 173.10 176.66 1du5 s PRO 122 N -3.89 3.86 -0.01 2.90 0.04 -1.14 -4.91 135.00 131.84 1du5 s PRO 122 Ca 0.10 1.85 0.01 0.00 0.04 0.00 0.00 61.00 63.00 1du5 s PRO 122 Cb 0.02 -2.53 0.01 0.00 0.04 0.00 0.00 34.50 32.04 1du5 s PRO 122 CO -0.05 -0.49 -0.01 1.03 0.04 0.00 0.00 177.00 177.52 1du5 s ARG 123 N -2.52 0.24 -0.40 4.56 0.52 -1.26 -1.26 118.95 118.84 1du5 s ARG 123 Ca 0.61 -0.02 0.03 0.00 -0.52 0.00 0.00 55.73 55.83 1du5 s ARG 123 Cb -0.31 -0.32 0.16 0.00 0.52 0.00 0.00 34.95 35.01 1du5 s ARG 123 CO 0.38 -0.03 0.31 0.00 0.02 0.00 0.00 175.30 175.99 1du5 n ALA 125 N 3.14 2.91 -1.89 0.00 0.00 -1.26 -1.32 120.51 122.09 1du5 n ALA 125 Ca 0.25 -0.61 -0.31 0.00 0.00 0.00 0.00 53.44 52.78 1du5 n ALA 125 Cb 0.45 -0.64 0.02 0.00 0.00 0.00 0.00 19.45 19.28 1du5 n ALA 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1du5 s VAL 126 N -1.86 4.41 -0.90 0.00 0.11 -1.26 -4.91 120.40 116.00 1du5 s VAL 126 Ca 0.18 0.74 -0.18 0.00 -2.93 0.00 0.00 61.98 59.80 1du5 s VAL 126 Cb 0.15 -3.77 0.15 0.00 -1.53 0.00 0.00 36.38 31.38 1du5 s VAL 126 CO 0.36 -1.00 1.04 -0.62 -3.33 0.00 0.00 175.10 171.54 1du5 s ASP 127 N -4.22 6.64 0.60 3.54 2.15 -1.26 -4.72 116.67 119.40 1du5 s ASP 127 Ca 0.55 -2.15 0.29 0.00 0.43 0.00 0.00 52.55 51.67 1du5 s ASP 127 Cb -0.11 -2.36 1.64 0.00 -0.30 0.00 0.00 42.92 41.79 1du5 s ASP 127 CO 0.53 -0.97 2.05 0.58 -0.17 0.00 0.00 175.17 177.20 1du5 h VAL 128 N 5.61 0.41 -0.23 1.11 2.07 -1.96 -2.26 116.25 120.99 1du5 h VAL 128 Ca 0.13 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.54 1du5 h VAL 128 Cb 1.03 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1du5 h VAL 128 CO 1.03 0.00 -0.33 0.78 0.02 0.00 0.00 177.57 179.08 1du5 h ASN 129 N 0.00 0.50 -0.85 0.57 2.35 -1.93 -3.15 115.58 113.07 1du5 h ASN 129 Ca 0.10 -0.19 0.21 0.00 -0.55 0.00 0.00 56.30 55.87 1du5 h ASN 129 Cb 0.63 -0.14 -0.13 0.00 0.05 0.00 0.00 38.32 38.74 1du5 h ASN 129 CO -0.00 0.79 0.29 0.00 -1.65 0.00 0.00 177.43 176.87 1du5 h ALA 130 N 1.24 1.26 -0.06 -0.83 0.00 -1.81 -1.74 119.26 117.33 1du5 h ALA 130 Ca 0.05 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1du5 h ALA 130 Cb 0.77 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1du5 h ALA 130 CO 0.06 -0.37 -0.33 0.54 0.00 0.00 0.00 179.25 179.15 1du5 n ARG 131 N -5.12 1.60 -1.70 0.00 1.74 -1.24 -5.07 116.66 106.87 1du5 n ARG 131 Ca 0.20 -3.14 -0.44 0.00 -0.77 0.00 0.00 57.85 53.70 1du5 n ARG 131 Cb 0.61 -1.63 -0.03 0.00 -1.02 0.00 0.00 32.46 30.39 1du5 n ARG 131 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1du5 n PRO 133 N 3.22 1.74 -0.34 0.00 -0.02 -1.26 -4.85 135.00 133.49 1du5 n PRO 133 Ca 0.14 0.64 0.32 0.00 -2.02 0.00 0.00 63.50 62.58 1du5 n PRO 133 Cb 0.33 -2.40 0.59 0.00 -0.02 0.00 0.00 33.50 32.00 1du5 n PRO 133 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1du5 h ALA 134 N 7.72 2.24 -0.44 3.55 0.00 -1.97 0.13 119.26 130.50 1du5 h ALA 134 Ca -0.47 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1du5 h ALA 134 Cb 1.29 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1du5 h ALA 134 CO 0.93 -0.99 0.26 0.93 0.00 0.00 0.00 179.25 180.37 1du5 h GLU 135 N 0.05 0.59 -0.00 0.00 3.07 -2.01 -2.66 114.58 113.61 1du5 h GLU 135 Ca 0.84 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.65 1du5 h GLU 135 Cb 2.26 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 30.04 1du5 h GLU 135 CO -0.70 0.43 -0.50 1.28 -1.40 0.00 0.00 179.01 178.11 1du5 n LEU 136 N -4.44 0.77 -4.77 1.33 4.77 0.44 -4.96 117.00 110.14 1du5 n LEU 136 Ca 0.03 -0.17 -0.40 0.00 -0.03 0.00 0.00 56.01 55.45 1du5 n LEU 136 Cb 0.08 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1du5 n LEU 136 CO 0.36 0.17 0.89 -0.13 -1.33 0.00 0.00 177.39 177.35 1du5 s ARG 137 N -2.85 4.28 -0.29 3.23 0.52 -1.01 -1.28 118.95 121.56 1du5 s ARG 137 Ca 0.14 2.00 -0.18 0.00 -0.52 0.00 0.00 55.73 57.18 1du5 s ARG 137 Cb 0.18 -2.93 0.13 0.00 0.52 0.00 0.00 34.95 32.84 1du5 s ARG 137 CO 0.67 -0.18 0.93 -1.14 0.02 0.00 0.00 175.30 175.61 1du5 s GLN 138 N -1.93 0.46 -1.43 3.54 0.74 -0.40 -4.87 119.66 115.78 1du5 s GLN 138 Ca 0.51 0.75 -0.08 0.00 0.05 0.00 0.00 55.36 56.59 1du5 s GLN 138 Cb -0.35 0.12 0.05 0.00 1.10 0.00 0.00 33.01 33.93 1du5 s GLN 138 CO 0.45 -0.09 0.64 -0.25 -0.55 0.00 0.00 175.29 175.50 1du5 n ASP 139 N 3.55 -4.89 0.00 6.67 10.43 -1.26 -0.38 116.55 130.67 1du5 n ASP 139 Ca -0.18 -0.42 0.00 0.00 2.57 0.00 0.00 54.79 56.76 1du5 n ASP 139 Cb 0.58 -3.97 0.00 0.00 1.84 0.00 0.00 41.12 39.56 1du5 n ASP 139 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1du5 n GLY 140 N -1.42 2.18 0.00 0.44 0.00 -1.26 -4.97 105.19 100.16 1du5 n GLY 140 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1du5 n GLY 140 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1du5 n VAL 141 N -2.00 0.00 -3.96 1.61 0.24 0.49 -5.00 118.33 109.72 1du5 n VAL 141 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.95 1du5 n VAL 141 Cb 0.00 -0.15 -0.14 0.00 -1.47 0.00 0.00 33.84 32.08 1du5 n VAL 141 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1du5 s ASN 143 N 1.37 5.53 0.39 0.00 3.84 -0.40 -1.14 114.94 124.53 1du5 s ASN 143 Ca 0.04 -0.32 0.08 0.00 0.21 0.00 0.00 52.86 52.87 1du5 s ASN 143 Cb -0.14 -0.69 -0.04 0.00 -0.55 0.00 0.00 41.25 39.83 1du5 s ASN 143 CO -0.01 -0.88 0.26 0.21 -2.79 0.00 0.00 177.10 173.88 1du5 s ASN 144 N -4.38 4.81 0.19 -4.21 3.84 -1.26 -4.81 114.94 109.13 1du5 s ASN 144 Ca 0.56 -0.82 -0.15 0.00 0.21 0.00 0.00 52.86 52.66 1du5 s ASN 144 Cb -0.10 -0.63 0.18 0.00 -0.55 0.00 0.00 41.25 40.16 1du5 s ASN 144 CO 0.35 -0.50 1.64 0.00 -2.79 0.00 0.00 177.10 175.79 1du5 h ALA 145 N 1.29 0.36 -0.16 1.71 0.00 -1.93 -2.51 119.26 118.01 1du5 h ALA 145 Ca -0.43 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1du5 h ALA 145 Cb 1.26 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1du5 h ALA 145 CO 0.62 -0.44 0.05 0.00 0.00 0.00 0.00 179.25 179.49 1du5 h PRO 147 N 0.08 1.25 -0.06 0.00 0.11 -1.78 -0.06 132.00 131.53 1du5 h PRO 147 Ca 0.05 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 1du5 h PRO 147 Cb 0.22 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1du5 h PRO 147 CO -0.00 0.83 -0.17 0.28 -0.21 0.00 0.00 178.00 178.73 1du5 h VAL 148 N 1.28 1.43 0.00 3.15 2.07 -1.38 -3.38 116.25 119.42 1du5 h VAL 148 Ca 0.35 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1du5 h VAL 148 Cb -0.14 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1du5 h VAL 148 CO -0.07 0.43 -1.33 0.49 0.02 0.00 0.00 177.57 177.11 1du5 n PHE 149 N -4.58 0.00 -3.99 1.57 3.72 -0.17 -5.02 117.46 109.00 1du5 n PHE 149 Ca -0.08 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.00 1du5 n PHE 149 Cb 0.40 -0.19 0.01 0.00 -0.94 0.00 0.00 39.48 38.77 1du5 n PHE 149 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1du5 n LYS 150 N -1.76 -5.03 -4.27 -1.08 5.02 -0.04 -4.99 118.16 106.01 1du5 n LYS 150 Ca 0.01 0.55 -0.21 0.00 -2.02 0.00 0.00 58.31 56.64 1du5 n LYS 150 Cb 0.40 -5.41 -0.12 0.00 -0.02 0.00 0.00 35.03 29.88 1du5 n LYS 150 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1du5 s LYS 151 N -6.70 1.09 0.25 1.97 -2.85 -1.26 -5.02 119.74 107.22 1du5 s LYS 151 Ca 0.69 -1.23 -0.01 0.00 -1.00 0.00 0.00 55.97 54.43 1du5 s LYS 151 Cb -0.35 -1.15 0.57 0.00 -2.06 0.00 0.00 37.83 34.84 1du5 s LYS 151 CO 0.85 0.24 1.30 -0.25 0.10 0.00 0.00 175.35 177.60 1du5 n ASP 152 N 0.72 -0.15 0.07 0.03 8.00 -1.26 -1.22 116.55 122.74 1du5 n ASP 152 Ca -0.17 1.42 0.02 0.00 0.71 0.00 0.00 54.79 56.77 1du5 n ASP 152 Cb 0.56 -0.49 0.36 0.00 -0.02 0.00 0.00 41.12 41.52 1du5 n ASP 152 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1du5 h GLU 153 N 0.00 0.35 0.08 -1.24 4.81 -1.96 0.16 114.58 116.77 1du5 h GLU 153 Ca 0.48 -0.07 -0.32 0.00 -0.13 0.00 0.00 59.36 59.31 1du5 h GLU 153 Cb 0.93 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 1du5 h GLU 153 CO -0.80 0.44 -1.75 1.88 -0.73 0.00 0.00 179.01 178.05 1du5 h TYR 154 N 0.33 0.31 0.09 0.92 0.05 -1.53 -3.41 116.97 113.74 1du5 h TYR 154 Ca 0.07 -0.23 -0.31 0.00 0.05 0.00 0.00 58.73 58.31 1du5 h TYR 154 Cb 0.34 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 1du5 h TYR 154 CO 0.01 1.39 -1.63 0.00 -1.05 0.00 0.00 178.16 176.88 1du5 s VAL 157 N -1.86 2.99 0.00 0.00 1.01 -1.26 -0.87 120.40 120.41 1du5 s VAL 157 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1du5 s VAL 157 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1du5 s VAL 157 CO 0.00 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.60 1du5 n GLY 158 N 0.31 3.60 0.25 4.51 0.00 -1.26 -1.36 105.19 111.23 1du5 n GLY 158 Ca 0.11 0.18 0.06 0.00 0.00 0.00 0.00 46.02 46.37 1du5 n GLY 158 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1du5 h SER 159 N 0.00 0.10 0.65 1.61 0.02 -2.03 -2.76 113.55 111.13 1du5 h SER 159 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1du5 h SER 159 Cb 0.00 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1du5 h SER 159 CO 0.00 0.17 0.00 0.00 -1.14 0.00 0.00 176.83 175.86 1du5 h ALA 160 N 1.84 1.00 -0.62 3.77 0.00 -1.40 -2.20 119.26 121.66 1du5 h ALA 160 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1du5 h ALA 160 Cb 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1du5 h ALA 160 CO 0.01 0.00 0.42 0.00 0.00 0.00 0.00 179.25 179.67 1du5 h ALA 161 N 2.12 2.03 0.00 0.00 0.00 -0.70 -2.64 119.26 120.07 1du5 h ALA 161 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1du5 h ALA 161 Cb 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1du5 h ALA 161 CO 0.00 -0.17 0.05 0.09 0.00 0.00 0.00 179.25 179.22 1du5 n ASN 162 N -4.47 0.00 -1.70 0.00 3.02 -0.83 -1.46 115.26 109.83 1du5 n ASN 162 Ca 0.10 0.41 -0.00 0.00 -0.03 0.00 0.00 54.58 55.06 1du5 n ASN 162 Cb 0.39 -0.41 0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1du5 n ASN 162 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1du5 n ASP 163 N -1.41 0.29 -4.76 6.41 2.03 -1.00 -5.11 116.55 113.00 1du5 n ASP 163 Ca 0.00 -2.03 -0.41 0.00 0.52 0.00 0.00 54.79 52.88 1du5 n ASP 163 Cb 0.05 -0.06 -0.03 0.00 -0.72 0.00 0.00 41.12 40.35 1du5 n ASP 163 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1du5 s HIS 165 N -0.80 0.28 0.53 0.00 3.76 -1.26 -4.96 115.29 112.84 1du5 s HIS 165 Ca 0.49 -0.73 -0.22 0.00 -0.15 0.00 0.00 55.06 54.45 1du5 s HIS 165 Cb -0.35 -0.14 -0.06 0.00 1.11 0.00 0.00 32.58 33.13 1du5 s HIS 165 CO 0.44 -0.53 1.26 -2.30 -0.85 0.00 0.00 174.74 172.76 1du5 n PRO 166 N -0.04 1.55 -4.46 8.40 -0.02 -1.26 -4.96 135.00 134.22 1du5 n PRO 166 Ca -0.14 0.57 -0.23 0.00 -2.02 0.00 0.00 63.50 61.68 1du5 n PRO 166 Cb 0.62 -2.44 -0.09 0.00 -0.02 0.00 0.00 33.50 31.57 1du5 n PRO 166 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1du5 s THR 167 N -1.32 0.62 0.31 3.45 -4.23 -1.26 -5.02 115.64 108.20 1du5 s THR 167 Ca 0.71 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.23 1du5 s THR 167 Cb -0.44 -2.46 0.18 0.00 1.34 0.00 0.00 72.50 71.12 1du5 s THR 167 CO 0.50 0.00 1.87 -0.55 -0.54 0.00 0.00 174.62 175.91 1du5 h ASN 168 N 1.95 0.68 -0.11 3.99 -1.07 -1.99 -2.24 115.58 116.79 1du5 h ASN 168 Ca -0.36 -0.10 -0.02 0.00 0.07 0.00 0.00 56.30 55.89 1du5 h ASN 168 Cb 1.26 -0.18 -0.00 0.00 -2.07 0.00 0.00 38.32 37.33 1du5 h ASN 168 CO 0.57 0.66 -0.02 1.88 0.07 0.00 0.00 177.43 180.59 1du5 h TYR 169 N 0.72 0.23 -0.91 4.14 0.99 -2.00 -2.99 116.97 117.15 1du5 h TYR 169 Ca 0.16 -0.05 0.09 0.00 2.00 0.00 0.00 58.73 60.94 1du5 h TYR 169 Cb 0.23 -0.06 -0.07 0.00 1.00 0.00 0.00 36.73 37.84 1du5 h TYR 169 CO 0.01 0.50 0.56 0.66 -0.00 0.00 0.00 178.16 179.88 1du5 h SER 170 N -0.11 0.84 -0.06 3.88 4.64 -1.78 -1.48 113.55 119.48 1du5 h SER 170 Ca 0.03 0.03 0.02 0.00 -0.47 0.00 0.00 61.79 61.40 1du5 h SER 170 Cb 0.42 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1du5 h SER 170 CO 0.01 0.50 0.05 0.03 -0.87 0.00 0.00 176.83 176.55 1du5 h ARG 171 N 0.95 0.00 0.11 4.77 3.08 -1.28 -1.27 114.38 120.73 1du5 h ARG 171 Ca 0.42 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.47 1du5 h ARG 171 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1du5 h ARG 171 CO -0.22 0.00 -0.05 -0.92 -1.07 0.00 0.00 179.97 177.71 1du5 h TYR 172 N 0.00 -0.13 -0.37 3.04 3.20 -1.13 -1.14 116.97 120.44 1du5 h TYR 172 Ca 0.03 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 1du5 h TYR 172 Cb 0.14 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 1du5 h TYR 172 CO 0.00 0.09 0.05 0.74 -1.64 0.00 0.00 178.16 177.40 1du5 h PHE 173 N -0.35 0.58 -0.14 -3.82 0.04 -1.29 -2.17 116.94 109.79 1du5 h PHE 173 Ca -0.01 -0.05 -0.18 0.00 2.80 0.00 0.00 57.97 60.52 1du5 h PHE 173 Cb 0.29 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 1du5 h PHE 173 CO -0.01 0.54 -0.66 -0.22 -0.60 0.00 0.00 178.31 177.36 1du5 h LYS 174 N 0.55 0.55 -0.20 1.51 1.63 -1.19 0.54 116.57 119.96 1du5 h LYS 174 Ca 0.12 -0.40 -0.08 0.00 -0.85 0.00 0.00 60.65 59.44 1du5 h LYS 174 Cb 0.28 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 1du5 h LYS 174 CO 0.00 1.02 -0.25 0.78 -3.45 0.00 0.00 179.45 177.56 1du5 h GLY 175 N 1.05 0.39 1.07 5.01 0.00 -0.66 -2.25 103.07 107.68 1du5 h GLY 175 Ca -0.02 -0.31 -0.31 0.00 0.00 0.00 0.00 47.33 46.70 1du5 h GLY 175 CO 0.12 0.28 -1.40 1.46 0.00 0.00 0.00 176.54 177.00 1du5 h GLN 176 N 0.33 0.47 -2.50 4.80 1.08 -1.16 -3.42 115.11 114.70 1du5 h GLN 176 Ca 0.05 -0.80 -0.59 0.00 -1.45 0.00 0.00 58.65 55.86 1du5 h GLN 176 Cb 0.61 0.30 -0.39 0.00 -0.05 0.00 0.00 27.48 27.95 1du5 h GLN 176 CO 0.04 1.38 -0.90 0.00 -0.95 0.00 0.00 178.83 178.40 1du5 h PRO 178 N 5.88 0.21 0.00 0.00 0.11 -1.62 -2.00 132.00 134.59 1du5 h PRO 178 Ca 0.21 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.28 1du5 h PRO 178 Cb 0.90 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1du5 h PRO 178 CO 0.40 0.14 -0.12 -0.44 -0.21 0.00 0.00 178.00 177.76 1du5 h ASP 179 N 0.22 0.00 -2.59 -2.05 3.45 -1.85 -3.46 116.42 110.14 1du5 h ASP 179 Ca 0.75 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 57.68 1du5 h ASP 179 Cb 2.03 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 40.77 1du5 h ASP 179 CO -0.50 0.12 -0.43 0.00 -1.57 0.00 0.00 179.24 176.86 1du5 s ALA 180 N -3.51 3.93 -0.04 3.45 0.00 -0.75 -4.49 121.76 120.34 1du5 s ALA 180 Ca 0.02 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 1du5 s ALA 180 Cb 0.08 -1.83 -0.07 0.00 0.00 0.00 0.00 23.12 21.30 1du5 s ALA 180 CO 0.62 0.48 1.88 0.71 0.00 0.00 0.00 175.76 179.44 1du5 s TYR 181 N -1.80 1.54 -0.55 0.00 1.51 -0.05 -4.87 117.35 113.13 1du5 s TYR 181 Ca 0.35 -0.06 0.22 0.00 -1.01 0.00 0.00 57.07 56.57 1du5 s TYR 181 Cb -0.11 -4.09 -0.24 0.00 -0.11 0.00 0.00 41.96 37.41 1du5 s TYR 181 CO 0.29 -4.67 0.74 -1.13 -1.11 0.00 0.00 175.55 169.68 1du5 n SER 182 N 8.01 0.54 -3.63 2.29 3.41 -1.26 -0.60 113.62 122.38 1du5 n SER 182 Ca 0.20 -0.48 -0.10 0.00 -0.26 0.00 0.00 58.87 58.23 1du5 n SER 182 Cb 0.42 1.38 -0.03 0.00 -0.26 0.00 0.00 64.21 65.73 1du5 n SER 182 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1du5 s TYR 183 N -3.24 -0.30 0.26 7.33 -0.85 -1.26 -4.56 117.35 114.73 1du5 s TYR 183 Ca 0.01 -0.01 -0.02 0.00 -0.52 0.00 0.00 57.07 56.53 1du5 s TYR 183 Cb 0.15 0.49 0.50 0.00 0.38 0.00 0.00 41.96 43.48 1du5 s TYR 183 CO 0.88 -0.92 1.79 -1.35 -1.52 0.00 0.00 175.55 174.42 1du5 h PRO 184 N 2.11 0.72 -1.10 -3.49 0.11 -1.87 -2.66 132.00 125.81 1du5 h PRO 184 Ca -0.30 -0.04 -0.54 0.00 0.11 0.00 0.00 66.00 65.23 1du5 h PRO 184 Cb 1.28 -0.16 -0.25 0.00 0.11 0.00 0.00 31.00 31.97 1du5 h PRO 184 CO 0.36 0.47 0.69 1.63 -0.21 0.00 0.00 178.00 180.95 1du5 n LYS 185 N -4.79 2.32 -0.90 1.05 4.76 -1.26 -4.61 118.16 114.73 1du5 n LYS 185 Ca 0.16 -2.73 -0.19 0.00 -2.87 0.00 0.00 58.31 52.69 1du5 n LYS 185 Cb 0.37 -2.07 0.08 0.00 -1.84 0.00 0.00 35.03 31.57 1du5 n LYS 185 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1du5 n ASP 186 N -0.67 5.33 0.15 4.39 4.64 -1.00 -4.65 116.55 124.72 1du5 n ASP 186 Ca 0.53 -3.14 -0.13 0.00 -1.38 0.00 0.00 54.79 50.66 1du5 n ASP 186 Cb 0.91 -0.89 -0.06 0.00 -1.04 0.00 0.00 41.12 40.03 1du5 n ASP 186 CO 0.00 0.00 0.00 0.44 -0.82 0.00 0.00 177.20 176.82 1du5 h ASP 187 N 1.17 -0.67 -0.47 1.67 3.32 -1.88 -3.08 116.42 116.48 1du5 h ASP 187 Ca 0.39 0.07 0.13 0.00 0.02 0.00 0.00 57.03 57.64 1du5 h ASP 187 Cb 1.45 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 41.22 1du5 h ASP 187 CO 0.85 -0.35 0.61 0.00 -1.72 0.00 0.00 179.24 178.64 1du5 h ALA 188 N 0.21 2.18 -0.03 3.45 0.00 -1.98 -1.04 119.26 122.04 1du5 h ALA 188 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1du5 h ALA 188 Cb 0.48 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1du5 h ALA 188 CO -0.09 -0.85 0.00 0.25 0.00 0.00 0.00 179.25 178.56 1du5 n THR 189 N -3.44 0.25 0.00 0.00 -2.24 -1.20 -4.79 114.28 102.85 1du5 n THR 189 Ca 0.09 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1du5 n THR 189 Cb 0.79 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 1du5 n THR 189 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1du5 n SER 190 N 0.13 0.31 -4.67 3.42 7.64 -0.43 -4.74 113.62 115.28 1du5 n SER 190 Ca 0.03 -0.40 -0.42 0.00 1.01 0.00 0.00 58.87 59.08 1du5 n SER 190 Cb 0.15 0.87 -0.03 0.00 -1.01 0.00 0.00 64.21 64.19 1du5 n SER 190 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1du5 s THR 191 N -0.93 3.90 0.16 0.44 2.01 -0.99 -4.56 115.64 115.69 1du5 s THR 191 Ca 0.00 1.17 0.11 0.00 0.31 0.00 0.00 61.69 63.27 1du5 s THR 191 Cb 0.00 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1du5 s THR 191 CO 0.00 -0.07 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.28 1du5 s PHE 192 N 3.27 2.38 0.01 4.92 0.40 -0.53 -5.00 117.98 123.43 1du5 s PHE 192 Ca 0.63 -0.33 0.01 0.00 -0.60 0.00 0.00 56.93 56.63 1du5 s PHE 192 Cb -0.28 -1.22 -0.01 0.00 0.51 0.00 0.00 43.02 42.02 1du5 s PHE 192 CO 0.23 0.44 -0.03 -0.08 0.70 0.00 0.00 175.22 176.49 1du5 s THR 193 N -1.44 0.16 0.07 0.64 -1.32 -1.26 -1.60 115.64 110.89 1du5 s THR 193 Ca 0.19 -0.41 0.03 0.00 -1.21 0.00 0.00 61.69 60.29 1du5 s THR 193 Cb -0.09 -0.20 -0.03 0.00 -1.51 0.00 0.00 72.50 70.66 1du5 s THR 193 CO 0.10 -0.16 -0.09 0.00 -2.21 0.00 0.00 174.62 172.26 1du5 n PRO 195 N 0.84 1.93 -1.94 0.00 -0.02 -1.26 -0.57 135.00 133.98 1du5 n PRO 195 Ca -0.18 0.69 -0.39 0.00 -2.02 0.00 0.00 63.50 61.60 1du5 n PRO 195 Cb 0.57 -2.50 0.01 0.00 -0.02 0.00 0.00 33.50 31.56 1du5 n PRO 195 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1du5 s ALA 196 N -1.23 3.06 0.00 3.55 0.00 0.01 -2.69 121.76 124.46 1du5 s ALA 196 Ca 0.64 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.87 1du5 s ALA 196 Cb -0.46 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.14 1du5 s ALA 196 CO 0.55 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.66 1du5 n GLY 197 N 0.63 2.15 3.78 0.00 0.00 -1.26 -5.03 105.19 105.45 1du5 n GLY 197 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1du5 n GLY 197 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1du5 s THR 198 N -2.28 3.53 0.26 2.61 2.01 -1.09 -4.48 115.64 116.19 1du5 s THR 198 Ca 0.00 1.13 0.09 0.00 0.31 0.00 0.00 61.69 63.21 1du5 s THR 198 Cb 0.00 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1du5 s THR 198 CO 0.00 -0.03 0.06 0.20 -0.69 0.00 0.00 174.62 174.16 1du5 s ASN 199 N -1.55 4.88 0.07 3.53 0.01 -0.08 -4.48 114.94 117.32 1du5 s ASN 199 Ca 0.61 -0.50 0.00 0.00 -0.71 0.00 0.00 52.86 52.27 1du5 s ASN 199 Cb -0.23 -1.04 -0.04 0.00 0.41 0.00 0.00 41.25 40.35 1du5 s ASN 199 CO 0.29 -0.01 -0.05 -0.31 -1.51 0.00 0.00 177.10 175.51 1du5 s TYR 200 N -2.22 0.69 -0.09 2.20 1.51 0.40 0.10 117.35 119.93 1du5 s TYR 200 Ca 0.32 -0.95 0.01 0.00 -1.01 0.00 0.00 57.07 55.44 1du5 s TYR 200 Cb -0.07 -0.44 0.02 0.00 -0.11 0.00 0.00 41.96 41.36 1du5 s TYR 200 CO 0.21 -0.25 -0.11 0.21 -1.11 0.00 0.00 175.55 174.50 1du5 s LYS 201 N -3.67 1.73 -0.17 -0.62 2.20 0.18 -1.29 119.74 118.11 1du5 s LYS 201 Ca 0.07 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 1du5 s LYS 201 Cb 0.05 -1.55 0.00 0.00 -1.51 0.00 0.00 37.83 34.83 1du5 s LYS 201 CO -0.07 -0.09 -0.16 0.08 -0.36 0.00 0.00 175.35 174.75 1du5 s VAL 202 N 1.07 2.49 -0.08 4.02 1.01 0.10 -0.96 120.40 128.05 1du5 s VAL 202 Ca -0.07 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1du5 s VAL 202 Cb -0.15 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1du5 s VAL 202 CO -0.01 0.52 -0.19 -0.69 0.00 0.00 0.00 175.10 174.72 1du5 s VAL 203 N 1.01 1.66 -0.19 2.92 1.01 -0.79 -1.14 120.40 124.89 1du5 s VAL 203 Ca -0.02 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 1du5 s VAL 203 Cb -0.15 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1du5 s VAL 203 CO -0.04 0.47 0.45 -0.36 0.00 0.00 0.00 175.10 175.62 1du5 s PHE 204 N 0.46 3.40 -0.41 5.22 0.08 -0.51 -2.42 117.98 123.80 1du5 s PHE 204 Ca -0.16 0.72 -0.14 0.00 0.12 0.00 0.00 56.93 57.47 1du5 s PHE 204 Cb -0.17 -2.58 0.02 0.00 -0.57 0.00 0.00 43.02 39.72 1du5 s PHE 204 CO 0.07 -0.00 0.51 0.00 -0.10 0.00 0.00 175.22 175.69