#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ue7 n ASP 4 N 0.00 0.00 -3.63 1.61 5.68 -1.26 -5.12 116.55 113.82 1ue7 n ASP 4 Ca 0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.17 1ue7 n ASP 4 Cb 0.00 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 39.91 1ue7 n ASP 4 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1ue7 s THR 5 N 1.18 0.00 -0.02 2.12 -1.32 -1.26 -5.12 115.64 111.22 1ue7 s THR 5 Ca 0.00 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.49 1ue7 s THR 5 Cb 0.00 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 1ue7 s THR 5 CO 0.00 0.00 -0.02 0.42 -2.21 0.00 0.00 174.62 172.81 1ue7 s THR 6 N 0.74 0.24 0.48 5.08 -4.23 -1.26 -3.91 115.64 112.79 1ue7 s THR 6 Ca -0.03 -0.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.47 1ue7 s THR 6 Cb -0.05 -0.27 -0.02 0.00 1.34 0.00 0.00 72.50 73.50 1ue7 s THR 6 CO -0.05 0.12 0.02 -0.51 -0.54 0.00 0.00 174.62 173.66 1ue7 s ILE 7 N 0.50 1.15 -0.24 2.99 2.07 0.72 -4.99 121.20 123.41 1ue7 s ILE 7 Ca -0.05 -2.00 -0.06 0.00 -1.41 0.00 0.00 60.65 57.13 1ue7 s ILE 7 Cb -0.08 -2.27 0.12 0.00 0.13 0.00 0.00 42.46 40.36 1ue7 s ILE 7 CO -0.01 0.00 0.48 -0.89 -1.91 0.00 0.00 174.94 172.61 1ue7 s THR 8 N -2.92 -0.76 -0.08 4.00 2.01 -1.26 -2.37 115.64 114.27 1ue7 s THR 8 Ca 0.11 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.18 1ue7 s THR 8 Cb 0.03 -0.81 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 1ue7 s THR 8 CO 0.06 -0.00 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.23 1ue7 s ILE 9 N 2.69 3.15 -0.14 1.82 1.01 -0.87 -4.94 121.20 123.92 1ue7 s ILE 9 Ca 0.05 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.04 1ue7 s ILE 9 Cb -0.13 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 40.08 1ue7 s ILE 9 CO -0.16 0.57 -0.16 -0.69 0.00 0.00 0.00 174.94 174.50 1ue7 s VAL 10 N -0.38 1.69 -0.43 2.92 1.01 -1.26 0.13 120.40 124.09 1ue7 s VAL 10 Ca 0.04 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1ue7 s VAL 10 Cb -0.12 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1ue7 s VAL 10 CO 0.02 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1ue7 n GLY 11 N 4.49 -1.25 3.90 4.51 0.00 -1.00 -4.49 105.19 111.35 1ue7 n GLY 11 Ca -0.19 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 1ue7 n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ue7 s ASN 12 N -1.86 6.35 0.04 1.61 0.01 -1.09 -0.39 114.94 119.63 1ue7 s ASN 12 Ca 0.00 0.35 -0.31 0.00 -0.71 0.00 0.00 52.86 52.19 1ue7 s ASN 12 Cb 0.00 -1.99 -0.06 0.00 0.41 0.00 0.00 41.25 39.61 1ue7 s ASN 12 CO 0.00 0.27 1.31 -0.76 -1.51 0.00 0.00 177.10 176.41 1ue7 s LEU 13 N -1.90 4.34 0.11 0.60 1.43 -0.70 -1.62 118.68 120.95 1ue7 s LEU 13 Ca 0.27 2.10 -0.30 0.00 -1.03 0.00 0.00 54.13 55.17 1ue7 s LEU 13 Cb -0.13 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.43 1ue7 s LEU 13 CO 0.18 -0.60 1.59 0.71 0.23 0.00 0.00 176.35 178.46 1ue7 h THR 14 N 4.62 0.19 -3.79 5.49 1.35 -1.51 0.50 112.91 119.75 1ue7 h THR 14 Ca -0.40 0.00 -0.25 0.00 -0.55 0.00 0.00 66.41 65.21 1ue7 h THR 14 Cb 1.20 0.19 -0.06 0.00 -1.73 0.00 0.00 68.15 67.75 1ue7 h THR 14 CO 0.86 0.00 -0.21 0.00 -0.25 0.00 0.00 175.52 175.92 1ue7 n ALA 15 N -2.81 0.26 -1.77 6.62 0.00 -1.26 -4.27 120.51 117.28 1ue7 n ALA 15 Ca -0.07 -0.93 -0.39 0.00 0.00 0.00 0.00 53.44 52.05 1ue7 n ALA 15 Cb 0.37 0.64 -0.03 0.00 0.00 0.00 0.00 19.45 20.43 1ue7 n ALA 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ue7 s ASP 16 N -2.13 6.85 0.36 0.00 1.01 -1.26 -4.06 116.67 117.45 1ue7 s ASP 16 Ca 0.10 2.31 -0.28 0.00 0.71 0.00 0.00 52.55 55.39 1ue7 s ASP 16 Cb 0.00 -2.62 -0.10 0.00 1.01 0.00 0.00 42.92 41.21 1ue7 s ASP 16 CO 0.07 -0.44 1.39 -2.16 0.21 0.00 0.00 175.17 174.23 1ue7 s PRO 17 N -1.97 4.18 -0.13 8.23 0.04 -1.26 -4.93 135.00 139.16 1ue7 s PRO 17 Ca 0.52 2.37 -0.19 0.00 0.04 0.00 0.00 61.00 63.74 1ue7 s PRO 17 Cb -0.31 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 1ue7 s PRO 17 CO 0.39 -0.40 0.51 -1.21 0.04 0.00 0.00 177.00 176.34 1ue7 s GLU 18 N -2.00 4.32 -0.61 4.56 2.02 -0.50 -4.86 118.70 121.63 1ue7 s GLU 18 Ca 0.52 0.50 -0.02 0.00 0.02 0.00 0.00 54.97 55.98 1ue7 s GLU 18 Cb -0.43 -3.46 0.16 0.00 0.10 0.00 0.00 34.13 30.50 1ue7 s GLU 18 CO 0.57 0.08 0.41 -1.17 0.02 0.00 0.00 175.26 175.18 1ue7 s LEU 19 N 0.85 5.15 0.32 1.80 1.98 -1.26 0.41 118.68 127.92 1ue7 s LEU 19 Ca 0.27 -2.84 0.07 0.00 -2.89 0.00 0.00 54.13 48.74 1ue7 s LEU 19 Cb -0.15 -1.83 -0.02 0.00 0.66 0.00 0.00 46.19 44.84 1ue7 s LEU 19 CO 0.11 -0.36 0.33 -0.13 -1.89 0.00 0.00 176.35 174.41 1ue7 s ARG 20 N -0.04 2.92 0.18 1.98 1.81 -0.90 -4.94 118.95 119.96 1ue7 s ARG 20 Ca 0.17 -1.14 0.09 0.00 -1.72 0.00 0.00 55.73 53.13 1ue7 s ARG 20 Cb -0.21 -2.62 -0.04 0.00 -0.45 0.00 0.00 34.95 31.63 1ue7 s ARG 20 CO -0.03 0.16 -0.11 -0.06 -0.68 0.00 0.00 175.30 174.57 1ue7 s PHE 21 N -2.22 2.59 0.08 -0.53 0.40 -1.26 -1.49 117.98 115.54 1ue7 s PHE 21 Ca 0.40 -0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.51 1ue7 s PHE 21 Cb -0.07 -1.27 -0.04 0.00 0.51 0.00 0.00 43.02 42.15 1ue7 s PHE 21 CO 0.28 0.51 0.15 0.95 0.70 0.00 0.00 175.22 177.81 1ue7 s THR 22 N -1.70 4.99 0.61 0.64 -4.23 0.30 -4.97 115.64 111.28 1ue7 s THR 22 Ca 0.24 -0.59 0.27 0.00 -1.18 0.00 0.00 61.69 60.43 1ue7 s THR 22 Cb -0.09 -3.43 0.35 0.00 1.34 0.00 0.00 72.50 70.67 1ue7 s THR 22 CO 0.14 0.12 1.71 1.55 -0.54 0.00 0.00 174.62 177.60 1ue7 h PRO 23 N 3.11 0.00 -0.90 3.99 0.13 -2.01 1.10 132.00 137.41 1ue7 h PRO 23 Ca -0.46 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1ue7 h PRO 23 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1ue7 h PRO 23 CO 0.71 0.00 0.04 -1.13 -0.23 0.00 0.00 178.00 177.39 1ue7 n SER 24 N -3.40 2.55 0.00 1.44 3.41 -1.26 -4.81 113.62 111.56 1ue7 n SER 24 Ca 0.10 -2.31 0.00 0.00 -0.26 0.00 0.00 58.87 56.39 1ue7 n SER 24 Cb 0.84 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1ue7 n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ue7 n GLY 25 N 0.15 0.16 3.76 5.00 0.00 0.38 -4.93 105.19 109.71 1ue7 n GLY 25 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1ue7 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ue7 s ALA 26 N -1.46 3.43 0.01 4.61 0.00 -1.19 -4.72 121.76 122.43 1ue7 s ALA 26 Ca 0.00 0.97 -0.09 0.00 0.00 0.00 0.00 51.96 52.84 1ue7 s ALA 26 Cb 0.00 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 1ue7 s ALA 26 CO 0.00 -0.26 0.32 0.00 0.00 0.00 0.00 175.76 175.82 1ue7 s ALA 27 N -1.16 3.79 -0.10 0.00 0.00 -1.26 0.11 121.76 123.14 1ue7 s ALA 27 Ca 0.45 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.92 1ue7 s ALA 27 Cb -0.34 -2.17 0.05 0.00 0.00 0.00 0.00 23.12 20.66 1ue7 s ALA 27 CO 0.44 0.59 0.16 0.08 0.00 0.00 0.00 175.76 177.02 1ue7 s VAL 28 N -1.25 -0.25 -0.15 0.00 1.01 -0.56 -2.55 120.40 116.66 1ue7 s VAL 28 Ca 0.27 0.29 -0.13 0.00 0.00 0.00 0.00 61.98 62.41 1ue7 s VAL 28 Cb -0.14 -0.33 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 1ue7 s VAL 28 CO 0.15 0.10 0.28 0.00 0.00 0.00 0.00 175.10 175.62 1ue7 s ALA 29 N 2.28 3.62 -0.22 5.51 0.00 -0.71 -2.12 121.76 130.12 1ue7 s ALA 29 Ca 0.03 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.54 1ue7 s ALA 29 Cb -0.13 -2.35 0.04 0.00 0.00 0.00 0.00 23.12 20.68 1ue7 s ALA 29 CO -0.06 0.15 -0.14 1.21 0.00 0.00 0.00 175.76 176.92 1ue7 s ASN 30 N 0.26 3.82 0.38 0.00 2.47 0.16 -2.18 114.94 119.86 1ue7 s ASN 30 Ca 0.16 -0.98 0.05 0.00 0.42 0.00 0.00 52.86 52.51 1ue7 s ASN 30 Cb -0.13 -1.53 -0.02 0.00 -1.45 0.00 0.00 41.25 38.12 1ue7 s ASN 30 CO 0.04 -0.09 0.19 2.22 -3.72 0.00 0.00 177.10 175.73 1ue7 n PHE 31 N 4.55 -0.15 -3.48 0.43 -1.74 -0.91 -1.41 117.46 114.74 1ue7 n PHE 31 Ca -0.18 -2.64 -0.16 0.00 -0.56 0.00 0.00 57.45 53.92 1ue7 n PHE 31 Cb 0.46 0.09 -0.12 0.00 1.52 0.00 0.00 39.48 41.43 1ue7 n PHE 31 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 1ue7 s THR 32 N -3.15 -0.39 0.50 1.97 -1.32 -1.26 0.39 115.64 112.38 1ue7 s THR 32 Ca 0.26 -0.06 -0.18 0.00 -1.21 0.00 0.00 61.69 60.51 1ue7 s THR 32 Cb 0.01 -0.68 -0.08 0.00 -1.51 0.00 0.00 72.50 70.25 1ue7 s THR 32 CO 0.19 -0.15 0.99 -0.69 -2.21 0.00 0.00 174.62 172.75 1ue7 s VAL 33 N 2.38 4.39 -0.09 5.08 1.01 -0.14 -1.22 120.40 131.81 1ue7 s VAL 33 Ca 0.07 1.23 -0.00 0.00 0.00 0.00 0.00 61.98 63.28 1ue7 s VAL 33 Cb -0.15 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1ue7 s VAL 33 CO -0.12 -0.57 -0.06 0.00 0.00 0.00 0.00 175.10 174.35 1ue7 s ALA 34 N -2.48 1.10 0.04 5.51 0.00 -0.64 -0.67 121.76 124.62 1ue7 s ALA 34 Ca 0.60 -0.38 0.06 0.00 0.00 0.00 0.00 51.96 52.24 1ue7 s ALA 34 Cb -0.11 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 1ue7 s ALA 34 CO 0.27 -0.36 -0.12 0.45 0.00 0.00 0.00 175.76 176.01 1ue7 s SER 35 N 1.64 4.27 0.00 0.00 0.15 -0.20 -2.65 113.70 116.91 1ue7 s SER 35 Ca 0.02 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.37 1ue7 s SER 35 Cb -0.13 -0.85 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 1ue7 s SER 35 CO -0.06 0.25 0.00 0.41 1.20 0.00 0.00 173.24 175.04 1ue7 n THR 36 N 1.36 0.00 -0.57 6.45 -1.04 -1.26 -0.14 114.28 119.08 1ue7 n THR 36 Ca -0.15 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.87 1ue7 n THR 36 Cb 0.52 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.02 1ue7 n THR 36 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1ue7 n PRO 37 N 0.00 -1.46 0.00 -2.82 -0.03 -1.26 -4.70 135.00 124.74 1ue7 n PRO 37 Ca 0.00 1.15 0.00 0.00 -0.03 0.00 0.00 63.50 64.62 1ue7 n PRO 37 Cb 0.00 -1.48 0.00 0.00 -0.03 0.00 0.00 33.50 31.99 1ue7 n PRO 37 CO 0.00 0.00 0.00 2.89 -0.03 0.00 0.00 175.50 178.36 1ue7 n ARG 38 N -2.14 0.00 -3.70 -0.52 1.85 -1.26 -4.90 116.66 105.98 1ue7 n ARG 38 Ca -0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.73 1ue7 n ARG 38 Cb 0.20 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.50 1ue7 n ARG 38 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1ue7 s GLU 51 N 0.00 0.41 0.60 2.89 -6.30 -1.26 -5.30 118.70 109.74 1ue7 s GLU 51 Ca 0.00 0.74 0.00 0.00 -2.50 0.00 0.00 54.97 53.21 1ue7 s GLU 51 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 34.13 34.16 1ue7 s GLU 51 CO 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 175.26 175.14 1ue7 n ALA 52 N 3.95 -3.40 -3.22 6.30 0.00 -1.23 -5.00 120.51 117.90 1ue7 n ALA 52 Ca -0.21 0.83 0.04 0.00 0.00 0.00 0.00 53.44 54.10 1ue7 n ALA 52 Cb 0.56 -1.54 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 1ue7 n ALA 52 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ue7 s LEU 53 N -6.88 -0.65 -0.34 0.00 1.98 0.80 -4.80 118.68 108.79 1ue7 s LEU 53 Ca 0.00 0.54 -0.07 0.00 -2.89 0.00 0.00 54.13 51.71 1ue7 s LEU 53 Cb 0.00 1.60 0.03 0.00 0.66 0.00 0.00 46.19 48.48 1ue7 s LEU 53 CO 0.00 -0.12 0.12 -0.36 -1.89 0.00 0.00 176.35 174.09 1ue7 s PHE 54 N 2.79 3.23 -0.22 5.38 0.40 -1.26 -1.03 117.98 127.26 1ue7 s PHE 54 Ca 0.02 -1.25 -0.02 0.00 -0.60 0.00 0.00 56.93 55.08 1ue7 s PHE 54 Cb -0.10 -2.30 0.01 0.00 0.51 0.00 0.00 43.02 41.14 1ue7 s PHE 54 CO -0.15 -0.68 -0.07 -0.51 0.70 0.00 0.00 175.22 174.51 1ue7 s LEU 55 N 1.45 2.88 0.25 -0.37 1.43 0.16 -4.97 118.68 119.50 1ue7 s LEU 55 Ca -0.00 -0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 52.22 1ue7 s LEU 55 Cb -0.19 -1.68 -0.09 0.00 0.03 0.00 0.00 46.19 44.26 1ue7 s LEU 55 CO 0.03 -0.05 1.24 -0.13 0.23 0.00 0.00 176.35 177.67 1ue7 s ARG 56 N 1.40 4.46 0.03 1.70 3.00 -1.26 -0.96 118.95 127.32 1ue7 s ARG 56 Ca 0.04 2.00 0.05 0.00 0.00 0.00 0.00 55.73 57.81 1ue7 s ARG 56 Cb -0.15 -3.17 -0.02 0.00 0.00 0.00 0.00 34.95 31.61 1ue7 s ARG 56 CO -0.05 -0.09 -0.14 0.00 0.00 0.00 0.00 175.30 175.02 1ue7 s ASN 58 N -0.96 2.58 -0.03 0.00 0.01 0.49 -2.14 114.94 114.89 1ue7 s ASN 58 Ca 0.02 -0.43 0.01 0.00 -0.71 0.00 0.00 52.86 51.75 1ue7 s ASN 58 Cb -0.07 -0.27 0.02 0.00 0.41 0.00 0.00 41.25 41.34 1ue7 s ASN 58 CO 0.01 0.25 -0.01 -0.51 -1.51 0.00 0.00 177.10 175.33 1ue7 s ILE 59 N -0.57 0.20 0.53 0.60 2.07 -0.93 -0.54 121.20 122.56 1ue7 s ILE 59 Ca 0.08 0.05 0.08 0.00 -1.41 0.00 0.00 60.65 59.45 1ue7 s ILE 59 Cb -0.09 -0.28 0.05 0.00 0.13 0.00 0.00 42.46 42.27 1ue7 s ILE 59 CO -0.00 0.14 0.55 0.26 -1.91 0.00 0.00 174.94 173.98 1ue7 s TRP 60 N 0.87 1.79 0.00 3.50 0.51 -1.26 -1.74 118.94 122.61 1ue7 s TRP 60 Ca -0.09 -0.71 0.00 0.00 -2.12 0.00 0.00 56.10 53.18 1ue7 s TRP 60 Cb -0.12 -2.09 0.00 0.00 -0.81 0.00 0.00 33.47 30.44 1ue7 s TRP 60 CO -0.01 -0.67 0.00 0.54 -0.51 0.00 0.00 176.95 176.30 1ue7 n ARG 61 N -1.91 0.00 -0.08 4.98 5.12 -1.06 -3.26 116.66 120.45 1ue7 n ARG 61 Ca 0.06 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.86 1ue7 n ARG 61 Cb 0.63 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.93 1ue7 n ARG 61 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 1ue7 h GLU 62 N 0.00 0.82 -1.02 5.56 9.09 -1.96 -2.70 114.58 124.37 1ue7 h GLU 62 Ca 0.00 -0.45 0.25 0.00 0.05 0.00 0.00 59.36 59.20 1ue7 h GLU 62 Cb 0.00 0.03 -0.10 0.00 -1.65 0.00 0.00 28.75 27.02 1ue7 h GLU 62 CO 0.00 1.09 0.64 0.00 0.05 0.00 0.00 179.01 180.78 1ue7 h ALA 63 N 0.84 2.04 -0.77 1.06 0.00 -1.95 1.36 119.26 121.83 1ue7 h ALA 63 Ca 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ue7 h ALA 63 Cb 1.01 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1ue7 h ALA 63 CO 0.10 -0.45 0.46 0.00 0.00 0.00 0.00 179.25 179.36 1ue7 h ALA 64 N 1.65 0.99 -0.17 0.00 0.00 -1.46 0.74 119.26 121.00 1ue7 h ALA 64 Ca 0.60 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 55.20 1ue7 h ALA 64 Cb 1.33 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.82 1ue7 h ALA 64 CO -0.35 0.46 -0.75 0.93 0.00 0.00 0.00 179.25 179.54 1ue7 h GLU 65 N 1.06 0.81 0.31 0.00 5.08 0.11 -2.37 114.58 119.60 1ue7 h GLU 65 Ca 0.28 -0.64 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 1ue7 h GLU 65 Cb -0.03 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1ue7 h GLU 65 CO -0.05 1.25 -0.15 -0.91 -1.00 0.00 0.00 179.01 178.15 1ue7 h ASN 66 N 0.57 -0.35 0.05 1.42 2.35 0.19 0.21 115.58 120.01 1ue7 h ASN 66 Ca -0.04 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1ue7 h ASN 66 Cb 1.38 0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.84 1ue7 h ASN 66 CO 0.16 -0.22 0.00 0.58 -1.65 0.00 0.00 177.43 176.29 1ue7 h VAL 67 N -0.46 0.00 0.02 2.81 2.07 0.42 0.94 116.25 122.05 1ue7 h VAL 67 Ca -0.04 -0.02 -0.26 0.00 0.82 0.00 0.00 66.70 67.20 1ue7 h VAL 67 Cb 0.35 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1ue7 h VAL 67 CO 0.07 0.00 -1.37 0.00 0.02 0.00 0.00 177.57 176.29 1ue7 h ALA 68 N 2.01 0.50 0.00 1.67 0.00 -0.49 -2.68 119.26 120.27 1ue7 h ALA 68 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.75 1ue7 h ALA 68 Cb 0.02 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ue7 h ALA 68 CO 0.00 1.36 -1.07 0.39 0.00 0.00 0.00 179.25 179.93 1ue7 n GLU 69 N -3.25 0.54 -0.11 0.00 1.02 0.63 -4.62 120.64 114.85 1ue7 n GLU 69 Ca -0.09 0.07 -0.17 0.00 -0.02 0.00 0.00 57.16 56.94 1ue7 n GLU 69 Cb 1.00 -1.75 -0.09 0.00 -0.02 0.00 0.00 31.44 30.58 1ue7 n GLU 69 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1ue7 n SER 70 N -2.49 2.14 -4.90 1.62 7.64 0.29 -5.04 113.62 112.88 1ue7 n SER 70 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 1ue7 n SER 70 Cb 0.53 -0.43 -0.05 0.00 -1.01 0.00 0.00 64.21 63.25 1ue7 n SER 70 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ue7 s LEU 71 N -6.52 4.33 0.00 -3.43 1.43 -1.01 -5.05 118.68 108.44 1ue7 s LEU 71 Ca -0.29 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1ue7 s LEU 71 Cb 0.09 -2.97 -0.01 0.00 0.03 0.00 0.00 46.19 43.33 1ue7 s LEU 71 CO 0.45 0.16 0.05 0.35 0.23 0.00 0.00 176.35 177.59 1ue7 n THR 72 N 0.51 0.00 -1.26 5.49 -2.24 -1.26 -4.42 114.28 111.09 1ue7 n THR 72 Ca -0.06 -1.49 -0.30 0.00 -2.27 0.00 0.00 64.05 59.93 1ue7 n THR 72 Cb 0.52 0.42 0.12 0.00 -2.10 0.00 0.00 70.33 69.29 1ue7 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ue7 s ARG 73 N -3.05 1.53 0.00 -0.78 1.70 -1.26 -3.22 118.95 113.87 1ue7 s ARG 73 Ca 0.07 0.85 0.00 0.00 -0.47 0.00 0.00 55.73 56.18 1ue7 s ARG 73 Cb 0.00 -1.84 0.00 0.00 -0.57 0.00 0.00 34.95 32.55 1ue7 s ARG 73 CO 0.05 -2.06 0.00 0.41 -1.08 0.00 0.00 175.30 172.61 1ue7 n GLY 74 N -1.26 0.86 3.69 3.88 0.00 0.17 -4.85 105.19 107.69 1ue7 n GLY 74 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 1ue7 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ue7 n ALA 75 N 0.71 1.87 -2.48 4.61 0.00 -1.20 -4.45 120.51 119.57 1ue7 n ALA 75 Ca 0.00 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.38 1ue7 n ALA 75 Cb 0.00 -2.48 -0.02 0.00 0.00 0.00 0.00 19.45 16.94 1ue7 n ALA 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1ue7 s ARG 76 N 1.95 4.00 0.29 0.00 6.06 -1.26 -1.72 118.95 128.28 1ue7 s ARG 76 Ca 0.81 1.25 0.07 0.00 -2.50 0.00 0.00 55.73 55.36 1ue7 s ARG 76 Cb -0.58 -3.82 -0.06 0.00 0.06 0.00 0.00 34.95 30.55 1ue7 s ARG 76 CO 0.38 -1.00 -0.05 0.14 -2.50 0.00 0.00 175.30 172.27 1ue7 s VAL 77 N 4.05 1.66 -0.16 7.11 -7.23 0.48 0.35 120.40 126.65 1ue7 s VAL 77 Ca 0.53 -2.11 0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1ue7 s VAL 77 Cb -0.16 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.28 1ue7 s VAL 77 CO 0.20 -0.26 -0.20 -0.63 -0.31 0.00 0.00 175.10 173.90 1ue7 s ILE 78 N -3.00 1.99 0.18 -0.62 1.01 -0.74 -2.38 121.20 117.64 1ue7 s ILE 78 Ca 0.30 -0.91 0.09 0.00 0.00 0.00 0.00 60.65 60.13 1ue7 s ILE 78 Cb 0.04 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 1ue7 s ILE 78 CO 0.13 0.53 -0.10 -0.69 0.00 0.00 0.00 174.94 174.81 1ue7 s VAL 79 N 1.16 3.17 -0.22 2.92 1.01 0.12 -2.94 120.40 125.62 1ue7 s VAL 79 Ca 0.01 -1.65 -0.04 0.00 0.00 0.00 0.00 61.98 60.30 1ue7 s VAL 79 Cb -0.14 -2.56 0.11 0.00 0.00 0.00 0.00 36.38 33.79 1ue7 s VAL 79 CO -0.09 -0.10 0.35 -0.55 0.00 0.00 0.00 175.10 174.71 1ue7 s SER 80 N -2.78 0.34 0.00 3.32 0.15 -1.11 -2.06 113.70 111.56 1ue7 s SER 80 Ca 0.24 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.23 1ue7 s SER 80 Cb -0.09 0.99 0.00 0.00 -1.71 0.00 0.00 66.02 65.21 1ue7 s SER 80 CO 0.15 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1ue7 n GLY 81 N 5.36 2.08 3.60 9.45 0.00 -1.00 -1.64 105.19 123.04 1ue7 n GLY 81 Ca -0.05 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 1ue7 n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ue7 s ARG 82 N -1.25 2.62 -0.30 1.61 0.52 -0.97 -0.20 118.95 120.99 1ue7 s ARG 82 Ca 0.00 -0.67 -0.29 0.00 -0.52 0.00 0.00 55.73 54.25 1ue7 s ARG 82 Cb 0.00 -2.54 0.02 0.00 0.52 0.00 0.00 34.95 32.94 1ue7 s ARG 82 CO 0.00 0.62 1.07 -0.51 0.02 0.00 0.00 175.30 176.50 1ue7 s LEU 83 N -1.27 3.97 -0.12 2.53 1.43 -1.25 -1.34 118.68 122.63 1ue7 s LEU 83 Ca 0.16 1.13 0.01 0.00 -1.03 0.00 0.00 54.13 54.40 1ue7 s LEU 83 Cb -0.11 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.55 1ue7 s LEU 83 CO 0.06 -0.83 -0.15 -0.54 0.23 0.00 0.00 176.35 175.11 1ue7 s LYS 84 N 3.56 3.26 -0.06 1.70 3.01 0.75 -4.93 119.74 127.03 1ue7 s LYS 84 Ca 0.45 -0.72 -0.24 0.00 -1.01 0.00 0.00 55.97 54.45 1ue7 s LYS 84 Cb -0.13 -2.55 -0.04 0.00 -1.01 0.00 0.00 37.83 34.10 1ue7 s LYS 84 CO 0.13 0.24 0.72 -1.14 0.51 0.00 0.00 175.35 175.81 1ue7 s GLN 85 N 0.26 4.45 0.00 1.68 0.74 -1.26 0.25 119.66 125.78 1ue7 s GLN 85 Ca -0.11 0.92 0.00 0.00 0.05 0.00 0.00 55.36 56.22 1ue7 s GLN 85 Cb -0.16 -3.44 0.00 0.00 1.10 0.00 0.00 33.01 30.51 1ue7 s GLN 85 CO 0.06 0.07 0.00 2.89 -0.55 0.00 0.00 175.29 177.75 1ue7 n ARG 86 N 3.75 1.35 -2.77 1.67 -4.01 0.44 -4.96 116.66 112.13 1ue7 n ARG 86 Ca -0.01 0.00 -0.41 0.00 -1.04 0.00 0.00 57.85 56.39 1ue7 n ARG 86 Cb 0.51 0.00 0.02 0.00 -3.04 0.00 0.00 32.46 29.95 1ue7 n ARG 86 CO 0.00 0.00 0.00 -1.13 -3.04 0.00 0.00 177.63 173.46 1ue7 n SER 87 N -0.45 7.00 -0.75 2.89 3.41 -1.26 -4.55 113.62 119.91 1ue7 n SER 87 Ca 0.00 -3.60 0.00 0.00 -0.26 0.00 0.00 58.87 55.01 1ue7 n SER 87 Cb 0.00 -1.19 0.00 0.00 -0.26 0.00 0.00 64.21 62.76 1ue7 n SER 87 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ue7 n THR 97 N 0.41 0.00 -4.11 6.66 -2.24 -1.26 -5.08 114.28 108.66 1ue7 n THR 97 Ca 0.39 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 62.07 1ue7 n THR 97 Cb 0.29 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.43 1ue7 n THR 97 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ue7 s VAL 98 N -2.66 0.02 -0.11 2.28 -7.23 -1.26 -5.15 120.40 106.28 1ue7 s VAL 98 Ca 0.00 -1.76 0.03 0.00 -1.81 0.00 0.00 61.98 58.44 1ue7 s VAL 98 Cb 0.00 -2.27 0.01 0.00 0.56 0.00 0.00 36.38 34.67 1ue7 s VAL 98 CO 0.00 -0.11 -0.22 -0.63 -0.31 0.00 0.00 175.10 173.83 1ue7 s ILE 99 N -4.08 1.99 0.47 -0.62 1.01 -1.26 0.17 121.20 118.87 1ue7 s ILE 99 Ca 0.30 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 60.01 1ue7 s ILE 99 Cb 0.05 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 1ue7 s ILE 99 CO 0.08 0.54 0.07 -1.61 0.00 0.00 0.00 174.94 174.02 1ue7 s GLU 100 N 0.56 2.08 -0.07 2.79 2.02 0.14 -4.68 118.70 121.54 1ue7 s GLU 100 Ca -0.14 -2.31 0.05 0.00 0.02 0.00 0.00 54.97 52.60 1ue7 s GLU 100 Cb -0.17 -1.06 -0.01 0.00 0.10 0.00 0.00 34.13 32.99 1ue7 s GLU 100 CO 0.04 -0.44 -0.24 0.08 0.02 0.00 0.00 175.26 174.73 1ue7 s VAL 101 N -3.04 1.98 -0.46 2.63 1.01 -0.41 -0.18 120.40 121.94 1ue7 s VAL 101 Ca 0.14 -1.01 -0.16 0.00 0.00 0.00 0.00 61.98 60.94 1ue7 s VAL 101 Cb 0.02 -1.69 0.06 0.00 0.00 0.00 0.00 36.38 34.76 1ue7 s VAL 101 CO 0.08 0.55 0.44 -0.70 0.00 0.00 0.00 175.10 175.47 1ue7 s GLU 102 N 0.03 3.02 -0.30 2.72 2.56 -0.45 -0.38 118.70 125.90 1ue7 s GLU 102 Ca -0.09 -1.13 -0.29 0.00 0.00 0.00 0.00 54.97 53.47 1ue7 s GLU 102 Cb -0.15 -4.08 -0.01 0.00 2.00 0.00 0.00 34.13 31.89 1ue7 s GLU 102 CO 0.05 -1.01 1.56 0.08 -0.56 0.00 0.00 175.26 175.38 1ue7 s VAL 103 N 1.92 3.76 -0.13 3.70 1.01 0.30 -2.30 120.40 128.67 1ue7 s VAL 103 Ca 0.08 0.83 0.10 0.00 0.00 0.00 0.00 61.98 62.98 1ue7 s VAL 103 Cb -0.21 -3.88 -0.23 0.00 0.00 0.00 0.00 36.38 32.05 1ue7 s VAL 103 CO 0.09 -0.46 0.34 0.47 0.00 0.00 0.00 175.10 175.54 1ue7 n ASP 104 N 8.82 0.93 -3.96 3.32 9.92 -0.65 -4.60 116.55 130.33 1ue7 n ASP 104 Ca 0.19 0.20 -0.10 0.00 -0.53 0.00 0.00 54.79 54.55 1ue7 n ASP 104 Cb 0.46 0.09 -0.11 0.00 -0.64 0.00 0.00 41.12 40.92 1ue7 n ASP 104 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1ue7 s GLU 105 N -2.55 0.29 -0.28 -1.24 0.41 -1.09 -5.05 118.70 109.19 1ue7 s GLU 105 Ca -0.12 -0.52 -0.22 0.00 -0.41 0.00 0.00 54.97 53.70 1ue7 s GLU 105 Cb 0.07 0.11 0.11 0.00 -1.78 0.00 0.00 34.13 32.64 1ue7 s GLU 105 CO 0.79 -0.05 0.91 -1.50 -0.49 0.00 0.00 175.26 174.92 1ue7 s ILE 106 N -1.29 0.00 0.23 -1.63 1.10 -1.26 -2.77 121.20 115.58 1ue7 s ILE 106 Ca -0.14 0.00 -0.15 0.00 -0.51 0.00 0.00 60.65 59.85 1ue7 s ILE 106 Cb -0.09 -1.00 0.01 0.00 0.15 0.00 0.00 42.46 41.53 1ue7 s ILE 106 CO -0.01 0.00 0.51 -0.83 -2.11 0.00 0.00 174.94 172.50 1ue7 s GLY 107 N 0.71 0.24 -0.08 1.50 0.00 -1.15 -4.99 107.32 103.54 1ue7 s GLY 107 Ca -0.02 -0.59 -0.25 0.00 0.00 0.00 0.00 44.72 43.86 1ue7 s GLY 107 CO -0.09 -0.45 0.78 2.56 0.00 0.00 0.00 173.10 175.90 1ue7 s PRO 108 N -3.95 4.42 -0.36 2.90 0.05 -1.26 -1.79 135.00 135.00 1ue7 s PRO 108 Ca 0.16 1.00 -0.28 0.00 0.05 0.00 0.00 61.00 61.93 1ue7 s PRO 108 Cb -0.01 -3.49 -0.02 0.00 0.05 0.00 0.00 34.50 31.03 1ue7 s PRO 108 CO 0.04 -0.07 1.88 0.45 0.05 0.00 0.00 177.00 179.35 1ue7 s SER 109 N 0.94 5.70 0.00 6.66 0.15 0.16 -4.82 113.70 122.49 1ue7 s SER 109 Ca 0.40 1.23 0.08 0.00 0.70 0.00 0.00 55.95 58.36 1ue7 s SER 109 Cb -0.18 -2.52 0.46 0.00 -1.71 0.00 0.00 66.02 62.06 1ue7 s SER 109 CO 0.18 -1.87 0.87 0.18 1.20 0.00 0.00 173.24 173.81 1ue7 n LEU 110 N 10.99 0.00 0.09 3.45 4.77 -1.26 -3.96 117.00 131.08 1ue7 n LEU 110 Ca 0.24 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 56.06 1ue7 n LEU 110 Cb 0.48 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 1ue7 n LEU 110 CO 0.69 0.00 0.52 -0.09 -1.33 0.00 0.00 177.39 177.18 1ue7 h ARG 111 N 0.00 -0.69 -0.16 3.23 2.43 -1.96 -3.16 114.38 114.07 1ue7 h ARG 111 Ca 0.00 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1ue7 h ARG 111 Cb 0.00 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1ue7 h ARG 111 CO 0.00 -0.46 0.00 0.66 -1.51 0.00 0.00 179.97 178.66 1ue7 n TYR 112 N -5.48 0.58 -4.12 2.20 4.02 -1.25 -5.04 117.16 108.06 1ue7 n TYR 112 Ca -0.08 -0.91 -0.15 0.00 -0.01 0.00 0.00 57.90 56.75 1ue7 n TYR 112 Cb 0.41 -0.25 -0.05 0.00 -0.02 0.00 0.00 39.34 39.43 1ue7 n TYR 112 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ue7 s ALA 113 N -2.80 0.92 0.10 -0.72 0.00 -1.20 -5.17 121.76 112.90 1ue7 s ALA 113 Ca 0.38 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1ue7 s ALA 113 Cb 0.31 1.22 0.00 0.00 0.00 0.00 0.00 23.12 24.66 1ue7 s ALA 113 CO 0.07 -0.76 0.01 0.25 0.00 0.00 0.00 175.76 175.33 1ue7 n THR 114 N -0.54 0.00 0.00 0.00 -2.24 -1.26 -4.53 114.28 105.71 1ue7 n THR 114 Ca 0.02 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1ue7 n THR 114 Cb 0.62 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1ue7 n THR 114 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ue7 n ALA 115 N -2.70 0.00 0.00 6.98 0.00 -1.26 -4.97 120.51 118.56 1ue7 n ALA 115 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ue7 n ALA 115 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1ue7 n ALA 115 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ue7 n LYS 116 N 0.00 0.00 0.00 0.00 4.81 -1.26 -5.15 118.16 116.56 1ue7 n LYS 116 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ue7 n LYS 116 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1ue7 n LYS 116 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1ue7 n VAL 117 N 2.00 0.00 -0.84 3.15 3.14 -1.26 -5.20 118.33 119.33 1ue7 n VAL 117 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1ue7 n VAL 117 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1ue7 n VAL 117 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96