#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l5p s THR 2 N 0.00 0.06 0.17 2.61 2.01 -1.26 -0.05 115.64 119.17 1l5p s THR 2 Ca 0.00 -0.49 0.06 0.00 0.31 0.00 0.00 61.69 61.57 1l5p s THR 2 Cb 0.00 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 1l5p s THR 2 CO 0.00 -0.27 -0.12 0.27 -0.69 0.00 0.00 174.62 173.80 1l5p s ILE 3 N -0.88 1.42 -0.19 1.82 -5.25 0.06 0.38 121.20 118.56 1l5p s ILE 3 Ca -0.10 -2.08 -0.04 0.00 -0.99 0.00 0.00 60.65 57.44 1l5p s ILE 3 Cb -0.06 -1.89 -0.02 0.00 2.95 0.00 0.00 42.46 43.45 1l5p s ILE 3 CO 0.00 -0.64 -0.02 -0.89 -1.79 0.00 0.00 174.94 171.60 1l5p s THR 4 N -3.03 3.75 -0.14 8.37 2.01 -0.20 -0.64 115.64 125.76 1l5p s THR 4 Ca 0.18 -0.39 -0.06 0.00 0.31 0.00 0.00 61.69 61.74 1l5p s THR 4 Cb 0.00 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 1l5p s THR 4 CO 0.03 0.44 0.07 0.00 -0.69 0.00 0.00 174.62 174.47 1l5p s ALA 5 N 0.99 3.50 -0.28 7.40 0.00 -0.52 -0.22 121.76 132.62 1l5p s ALA 5 Ca 0.01 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1l5p s ALA 5 Cb -0.14 -1.82 0.07 0.00 0.00 0.00 0.00 23.12 21.23 1l5p s ALA 5 CO 0.01 0.41 -0.07 0.08 0.00 0.00 0.00 175.76 176.18 1l5p s VAL 6 N -0.34 2.19 -0.09 0.00 1.01 0.87 -0.64 120.40 123.39 1l5p s VAL 6 Ca 0.09 -1.80 0.03 0.00 0.00 0.00 0.00 61.98 60.31 1l5p s VAL 6 Cb -0.12 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1l5p s VAL 6 CO 0.02 -0.16 -0.20 -0.75 0.00 0.00 0.00 175.10 174.01 1l5p s LYS 7 N 1.06 2.62 -1.27 2.72 2.20 -0.67 -0.95 119.74 125.44 1l5p s LYS 7 Ca -0.05 -0.73 -0.01 0.00 -0.36 0.00 0.00 55.97 54.83 1l5p s LYS 7 Cb -0.20 -2.02 -0.00 0.00 -1.51 0.00 0.00 37.83 34.10 1l5p s LYS 7 CO -0.06 0.12 0.77 0.41 -0.36 0.00 0.00 175.35 176.23 1l5p n GLY 8 N 3.65 -0.35 3.63 5.54 0.00 -1.26 -1.41 105.19 114.98 1l5p n GLY 8 Ca -0.20 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1l5p n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l5p n GLY 9 N -1.48 0.03 3.52 -0.02 0.00 -1.26 -4.93 105.19 101.05 1l5p n GLY 9 Ca -0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1l5p n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1l5p s VAL 10 N -1.08 4.82 0.13 1.61 1.01 -0.50 -5.09 120.40 121.30 1l5p s VAL 10 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 1l5p s VAL 10 Cb 0.00 -3.28 -0.07 0.00 0.00 0.00 0.00 36.38 33.03 1l5p s VAL 10 CO 0.00 0.30 0.76 -0.54 0.00 0.00 0.00 175.10 175.62 1l5p s LYS 11 N 1.65 4.52 -0.13 2.72 1.02 -1.26 -1.67 119.74 126.59 1l5p s LYS 11 Ca 0.07 1.11 -0.04 0.00 0.02 0.00 0.00 55.97 57.12 1l5p s LYS 11 Cb -0.15 -3.29 0.06 0.00 -0.52 0.00 0.00 37.83 33.93 1l5p s LYS 11 CO 0.07 0.49 0.13 0.15 -0.92 0.00 0.00 175.35 175.28 1l5p s LYS 12 N -0.83 0.06 0.10 1.68 -0.14 0.18 -5.00 119.74 115.78 1l5p s LYS 12 Ca 0.36 0.23 -0.30 0.00 -1.36 0.00 0.00 55.97 54.90 1l5p s LYS 12 Cb -0.22 -1.07 -0.06 0.00 -1.68 0.00 0.00 37.83 34.81 1l5p s LYS 12 CO 0.25 -0.52 1.03 -0.65 -0.76 0.00 0.00 175.35 174.70 1l5p s GLN 13 N 2.23 4.61 0.02 1.68 -1.52 -1.26 -1.44 119.66 123.97 1l5p s GLN 13 Ca 0.04 1.54 0.05 0.00 -1.95 0.00 0.00 55.36 55.04 1l5p s GLN 13 Cb -0.14 -3.37 -0.02 0.00 -0.22 0.00 0.00 33.01 29.26 1l5p s GLN 13 CO -0.08 0.07 -0.16 -0.51 -0.25 0.00 0.00 175.29 174.36 1l5p s LEU 14 N 0.27 2.10 0.09 2.90 1.43 0.19 -4.97 118.68 120.69 1l5p s LEU 14 Ca 0.50 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 1l5p s LEU 14 Cb -0.25 -0.77 -0.06 0.00 0.03 0.00 0.00 46.19 45.14 1l5p s LEU 14 CO 0.30 0.13 0.43 -0.54 0.23 0.00 0.00 176.35 176.91 1l5p s LYS 15 N -0.78 3.82 0.09 1.70 -0.14 -1.26 -0.76 119.74 122.40 1l5p s LYS 15 Ca 0.05 0.26 0.05 0.00 -1.36 0.00 0.00 55.97 54.96 1l5p s LYS 15 Cb -0.07 -3.00 -0.03 0.00 -1.68 0.00 0.00 37.83 33.05 1l5p s LYS 15 CO 0.00 0.55 -0.13 -0.59 -0.76 0.00 0.00 175.35 174.43 1l5p s PHE 16 N -1.39 1.18 -0.12 3.18 -0.12 0.92 -4.94 117.98 116.70 1l5p s PHE 16 Ca 0.33 -0.54 -0.04 0.00 -0.05 0.00 0.00 56.93 56.64 1l5p s PHE 16 Cb -0.14 -0.65 -0.03 0.00 -0.63 0.00 0.00 43.02 41.56 1l5p s PHE 16 CO 0.18 0.05 0.02 -1.21 -0.05 0.00 0.00 175.22 174.21 1l5p s GLU 17 N -2.23 3.35 0.32 1.99 0.41 -1.26 -1.69 118.70 119.59 1l5p s GLU 17 Ca 0.02 -0.38 -0.25 0.00 -0.41 0.00 0.00 54.97 53.95 1l5p s GLU 17 Cb -0.07 -2.94 -0.15 0.00 -1.78 0.00 0.00 34.13 29.19 1l5p s GLU 17 CO 0.02 0.55 0.50 -0.25 -0.49 0.00 0.00 175.26 175.58 1l5p n ASP 18 N 2.64 -1.16 -0.03 -0.19 8.00 -1.26 -1.60 116.55 122.95 1l5p n ASP 18 Ca -0.18 1.00 -0.00 0.00 0.71 0.00 0.00 54.79 56.32 1l5p n ASP 18 Cb 0.53 -1.03 -0.00 0.00 -0.02 0.00 0.00 41.12 40.60 1l5p n ASP 18 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1l5p n ASP 19 N 1.77 -4.01 -4.87 -2.24 10.43 0.75 -5.00 116.55 113.37 1l5p n ASP 19 Ca 0.13 0.01 -0.34 0.00 2.57 0.00 0.00 54.79 57.16 1l5p n ASP 19 Cb 0.33 -1.55 -0.05 0.00 1.84 0.00 0.00 41.12 41.69 1l5p n ASP 19 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1l5p s GLN 20 N -0.80 3.78 0.28 -1.24 -0.21 -0.63 -4.80 119.66 116.05 1l5p s GLN 20 Ca 0.00 0.20 -0.08 0.00 0.02 0.00 0.00 55.36 55.51 1l5p s GLN 20 Cb 0.00 -2.95 -0.06 0.00 1.00 0.00 0.00 33.01 31.00 1l5p s GLN 20 CO 0.00 0.52 0.58 0.95 -2.12 0.00 0.00 175.29 175.23 1l5p s THR 21 N -1.46 4.95 0.41 -0.19 -4.23 -1.26 0.93 115.64 114.79 1l5p s THR 21 Ca 0.35 0.31 0.10 0.00 -1.18 0.00 0.00 61.69 61.28 1l5p s THR 21 Cb -0.14 -3.68 0.31 0.00 1.34 0.00 0.00 72.50 70.33 1l5p s THR 21 CO 0.19 -0.25 1.98 0.25 -0.54 0.00 0.00 174.62 176.25 1l5p h LEU 22 N 1.98 0.48 -0.22 4.79 5.85 -1.09 -0.75 115.31 126.35 1l5p h LEU 22 Ca -0.47 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.27 1l5p h LEU 22 Cb 1.18 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1l5p h LEU 22 CO 0.67 0.30 0.09 0.15 -0.34 0.00 0.00 178.44 179.32 1l5p h PHE 23 N 0.55 0.17 -0.10 1.25 3.57 -1.72 0.40 116.94 121.06 1l5p h PHE 23 Ca 0.28 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 1l5p h PHE 23 Cb 0.39 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 1l5p h PHE 23 CO -0.00 0.09 0.05 1.15 -2.23 0.00 0.00 178.31 177.37 1l5p h THR 24 N 0.20 1.10 -0.26 4.41 2.02 -1.51 0.24 112.91 119.12 1l5p h THR 24 Ca 0.09 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 66.98 1l5p h THR 24 Cb 0.04 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1l5p h THR 24 CO -0.08 0.09 0.15 0.58 0.37 0.00 0.00 175.52 176.63 1l5p h VAL 25 N 0.05 1.02 -0.09 3.16 2.07 -0.92 0.58 116.25 122.13 1l5p h VAL 25 Ca 0.04 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1l5p h VAL 25 Cb 0.10 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1l5p h VAL 25 CO -0.00 0.06 -0.01 -0.07 0.02 0.00 0.00 177.57 177.56 1l5p h LEU 26 N 0.31 0.18 -0.58 2.57 3.38 -0.06 -2.96 115.31 118.13 1l5p h LEU 26 Ca 0.10 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1l5p h LEU 26 Cb 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1l5p h LEU 26 CO -0.05 0.48 0.16 0.00 0.09 0.00 0.00 178.44 179.12 1l5p h THR 27 N -0.13 1.24 0.00 0.22 1.03 -0.47 -2.41 112.91 112.40 1l5p h THR 27 Ca 0.03 -0.85 0.00 0.00 -0.01 0.00 0.00 66.41 65.57 1l5p h THR 27 Cb 0.40 0.69 0.00 0.00 -1.07 0.00 0.00 68.15 68.17 1l5p h THR 27 CO 0.01 0.32 0.00 -0.62 -0.01 0.00 0.00 175.52 175.22 1l5p n GLU 28 N -4.40 0.30 -0.05 0.00 1.02 0.19 -2.32 120.64 115.38 1l5p n GLU 28 Ca 0.03 0.10 0.05 0.00 -0.02 0.00 0.00 57.16 57.32 1l5p n GLU 28 Cb 0.22 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.21 1l5p n GLU 28 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1l5p n ALA 29 N -1.25 2.38 -0.97 0.62 0.00 -0.95 -4.99 120.51 115.34 1l5p n ALA 29 Ca 0.09 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1l5p n ALA 29 Cb 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1l5p n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1l5p n GLY 30 N 0.49 0.94 0.18 0.00 0.00 -0.98 -4.87 105.19 100.95 1l5p n GLY 30 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.16 1l5p n GLY 30 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1l5p h LEU 31 N 0.00 0.00 -7.70 0.99 3.38 -1.70 -3.45 115.31 106.84 1l5p h LEU 31 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 1l5p h LEU 31 Cb 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.45 1l5p h LEU 31 CO 0.00 0.25 -0.73 -0.32 0.09 0.00 0.00 178.44 177.72 1l5p s MET 32 N -3.09 0.12 0.09 1.13 0.00 -1.11 -4.97 119.30 111.47 1l5p s MET 32 Ca 0.05 0.02 -0.14 0.00 0.00 0.00 0.00 55.69 55.62 1l5p s MET 32 Cb 0.06 -0.21 -0.06 0.00 0.00 0.00 0.00 34.83 34.62 1l5p s MET 32 CO 0.71 -0.04 0.49 0.45 0.00 0.00 0.00 175.02 176.63 1l5p s SER 33 N 0.38 6.82 0.00 1.11 0.15 -1.26 -3.77 113.70 117.14 1l5p s SER 33 Ca -0.03 1.03 0.21 0.00 0.70 0.00 0.00 55.95 57.86 1l5p s SER 33 Cb -0.05 -2.27 0.53 0.00 -1.71 0.00 0.00 66.02 62.51 1l5p s SER 33 CO -0.01 0.19 1.45 0.00 1.20 0.00 0.00 173.24 176.07 1l5p n ALA 34 N 1.18 2.37 -1.90 5.45 0.00 -1.26 -4.91 120.51 121.44 1l5p n ALA 34 Ca -0.08 -1.18 -0.41 0.00 0.00 0.00 0.00 53.44 51.77 1l5p n ALA 34 Cb 0.52 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 19.09 1l5p n ALA 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1l5p s ASP 35 N -1.15 7.23 -2.03 0.00 -0.00 -1.26 -3.10 116.67 116.37 1l5p s ASP 35 Ca 0.42 2.21 0.00 0.00 -0.00 0.00 0.00 52.55 55.18 1l5p s ASP 35 Cb 0.23 -2.62 0.00 0.00 -0.00 0.00 0.00 42.92 40.53 1l5p s ASP 35 CO 0.31 -0.21 0.00 0.47 -0.00 0.00 0.00 175.17 175.74 1l5p n ASP 36 N 1.77 -5.42 -4.70 0.27 8.00 -1.26 -4.97 116.55 110.24 1l5p n ASP 36 Ca 0.01 0.47 -0.23 0.00 0.71 0.00 0.00 54.79 55.76 1l5p n ASP 36 Cb 0.45 -4.60 -0.06 0.00 -0.02 0.00 0.00 41.12 36.88 1l5p n ASP 36 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1l5p s THR 37 N -2.67 3.59 -1.56 -3.53 -1.32 -1.18 -4.99 115.64 103.98 1l5p s THR 37 Ca 0.00 -1.77 0.00 0.00 -1.21 0.00 0.00 61.69 58.71 1l5p s THR 37 Cb 0.00 -2.99 0.00 0.00 -1.51 0.00 0.00 72.50 68.00 1l5p s THR 37 CO 0.00 -0.34 0.60 0.00 -2.21 0.00 0.00 174.62 172.67 1l5p n GLN 39 N -0.23 -6.96 -2.74 0.00 1.13 -1.26 -3.16 117.38 104.16 1l5p n GLN 39 Ca 0.00 0.82 -0.08 0.00 -1.94 0.00 0.00 57.00 55.80 1l5p n GLN 39 Cb 0.09 -5.82 0.02 0.00 0.11 0.00 0.00 30.24 24.64 1l5p n GLN 39 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1l5p n GLY 40 N -1.48 0.39 0.85 1.08 0.00 -1.26 -4.95 105.19 99.82 1l5p n GLY 40 Ca -0.18 -0.41 0.08 0.00 0.00 0.00 0.00 46.02 45.51 1l5p n GLY 40 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1l5p n ASN 41 N 0.11 3.19 -3.88 1.61 3.02 -1.19 -4.94 115.26 113.19 1l5p n ASN 41 Ca -0.01 -1.97 -0.27 0.00 -0.03 0.00 0.00 54.58 52.29 1l5p n ASN 41 Cb 0.53 -0.29 0.02 0.00 -0.61 0.00 0.00 39.78 39.42 1l5p n ASN 41 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1l5p n LYS 42 N 0.88 -4.71 0.00 3.52 5.02 -1.26 -4.85 118.16 116.76 1l5p n LYS 42 Ca 0.15 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1l5p n LYS 42 Cb 0.48 -5.18 0.00 0.00 -0.02 0.00 0.00 35.03 30.31 1l5p n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1l5p n ALA 43 N -4.47 1.37 -0.06 7.82 0.00 -1.26 -4.86 120.51 119.05 1l5p n ALA 43 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 1l5p n ALA 43 Cb 0.60 0.10 -0.15 0.00 0.00 0.00 0.00 19.45 20.00 1l5p n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l5p n GLY 45 N 1.64 0.05 0.01 0.00 0.00 -1.26 -4.94 105.19 100.69 1l5p n GLY 45 Ca -0.24 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.42 1l5p n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1l5p n LYS 46 N -2.05 0.45 -0.28 1.61 5.02 -1.26 -4.45 118.16 117.19 1l5p n LYS 46 Ca -0.12 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.04 1l5p n LYS 46 Cb 0.57 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 1l5p n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1l5p s ILE 48 N 0.02 2.29 0.29 0.00 -1.09 -1.26 -1.29 121.20 120.16 1l5p s ILE 48 Ca 0.00 0.27 -0.08 0.00 -2.23 0.00 0.00 60.65 58.61 1l5p s ILE 48 Cb 0.00 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 1l5p s ILE 48 CO 0.00 0.06 0.47 0.00 -1.23 0.00 0.00 174.94 174.24 1l5p s LYS 50 N -3.52 2.93 -0.55 0.00 1.02 0.52 -1.13 119.74 119.00 1l5p s LYS 50 Ca 0.26 -0.83 -0.25 0.00 0.02 0.00 0.00 55.97 55.18 1l5p s LYS 50 Cb -0.00 -2.36 0.04 0.00 -0.52 0.00 0.00 37.83 34.99 1l5p s LYS 50 CO 0.14 0.00 0.97 -1.58 -0.92 0.00 0.00 175.35 173.97 1l5p s HIS 51 N 0.77 2.77 -0.11 3.18 5.65 -0.56 0.06 115.29 127.06 1l5p s HIS 51 Ca -0.08 0.06 0.19 0.00 0.25 0.00 0.00 55.06 55.47 1l5p s HIS 51 Cb -0.16 -4.13 -0.28 0.00 -1.18 0.00 0.00 32.58 26.83 1l5p s HIS 51 CO -0.01 -1.37 0.27 1.55 -0.65 0.00 0.00 174.74 174.53 1l5p n VAL 52 N 6.27 0.64 -3.65 0.89 3.14 -0.28 -4.91 118.33 120.43 1l5p n VAL 52 Ca 0.03 -0.64 -0.11 0.00 -2.96 0.00 0.00 64.34 60.65 1l5p n VAL 52 Cb 0.48 -0.23 -0.05 0.00 -1.06 0.00 0.00 33.84 32.98 1l5p n VAL 52 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1l5p s SER 53 N -4.87 -0.25 0.00 6.55 0.15 -0.96 -4.94 113.70 109.38 1l5p s SER 53 Ca -0.09 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1l5p s SER 53 Cb 0.10 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1l5p s SER 53 CO 0.83 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1l5p n GLY 54 N 0.12 -0.54 3.66 9.45 0.00 -1.26 -1.11 105.19 115.52 1l5p n GLY 54 Ca -0.17 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1l5p n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1l5p s LYS 55 N -1.90 4.28 -0.09 1.61 1.02 -1.26 -4.94 119.74 118.45 1l5p s LYS 55 Ca 0.00 1.05 -0.04 0.00 0.02 0.00 0.00 55.97 57.00 1l5p s LYS 55 Cb 0.00 -3.59 0.05 0.00 -0.52 0.00 0.00 37.83 33.76 1l5p s LYS 55 CO 0.00 -0.39 0.20 0.08 -0.92 0.00 0.00 175.35 174.32 1l5p s VAL 56 N 2.38 -0.12 0.17 3.17 1.01 -1.26 -4.25 120.40 121.50 1l5p s VAL 56 Ca 0.39 0.20 -0.33 0.00 0.00 0.00 0.00 61.98 62.24 1l5p s VAL 56 Cb -0.16 -0.33 -0.15 0.00 0.00 0.00 0.00 36.38 35.74 1l5p s VAL 56 CO 0.11 0.08 1.30 0.00 0.00 0.00 0.00 175.10 176.60 1l5p n ALA 57 N 4.50 -0.06 -1.53 5.51 0.00 -1.26 -4.89 120.51 122.78 1l5p n ALA 57 Ca -0.21 0.46 -0.42 0.00 0.00 0.00 0.00 53.44 53.27 1l5p n ALA 57 Cb 0.52 -2.14 0.01 0.00 0.00 0.00 0.00 19.45 17.83 1l5p n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l5p n ALA 58 N 1.99 -0.74 -1.77 0.00 0.00 -1.26 -4.90 120.51 113.84 1l5p n ALA 58 Ca 0.15 0.22 -0.39 0.00 0.00 0.00 0.00 53.44 53.42 1l5p n ALA 58 Cb 0.26 -1.92 -0.02 0.00 0.00 0.00 0.00 19.45 17.77 1l5p n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l5p s ALA 59 N -1.33 3.24 0.62 0.00 0.00 -1.26 -5.02 121.76 118.01 1l5p s ALA 59 Ca 0.63 1.02 -0.07 0.00 0.00 0.00 0.00 51.96 53.54 1l5p s ALA 59 Cb -0.61 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.13 1l5p s ALA 59 CO 0.57 -0.52 0.94 -1.83 0.00 0.00 0.00 175.76 174.92 1l5p s GLU 60 N -2.13 2.85 0.26 0.00 1.03 -1.26 -4.82 118.70 114.63 1l5p s GLU 60 Ca 0.54 0.04 -0.02 0.00 0.03 0.00 0.00 54.97 55.56 1l5p s GLU 60 Cb -0.33 -2.23 0.53 0.00 -0.80 0.00 0.00 34.13 31.31 1l5p s GLU 60 CO 0.42 -0.79 1.70 -0.44 -1.33 0.00 0.00 175.26 174.82 1l5p h ASP 61 N -0.28 0.16 0.04 0.83 3.32 -1.98 -0.86 116.42 117.66 1l5p h ASP 61 Ca -0.45 0.14 -0.07 0.00 0.02 0.00 0.00 57.03 56.67 1l5p h ASP 61 Cb 1.26 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.95 1l5p h ASP 61 CO 0.61 0.01 -0.21 -2.24 -1.72 0.00 0.00 179.24 175.69 1l5p h ASP 62 N 0.35 0.29 -0.12 6.45 2.03 -2.01 -2.49 116.42 120.92 1l5p h ASP 62 Ca 0.46 -0.08 -0.08 0.00 -0.73 0.00 0.00 57.03 56.60 1l5p h ASP 62 Cb 0.78 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.21 1l5p h ASP 62 CO -0.49 0.52 -0.23 -0.08 -1.03 0.00 0.00 179.24 177.92 1l5p h GLU 63 N 0.27 0.37 -0.63 4.15 4.81 -1.61 -3.09 114.58 118.84 1l5p h GLU 63 Ca 0.05 -0.24 0.18 0.00 -0.13 0.00 0.00 59.36 59.23 1l5p h GLU 63 Cb 0.53 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 1l5p h GLU 63 CO 0.04 0.83 0.52 0.87 -0.73 0.00 0.00 179.01 180.53 1l5p h LYS 64 N -0.06 0.00 -0.16 1.92 1.57 -0.97 0.16 116.57 119.03 1l5p h LYS 64 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1l5p h LYS 64 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1l5p h LYS 64 CO 0.05 0.00 -0.14 0.93 -0.57 0.00 0.00 179.45 179.73 1l5p h GLU 65 N 0.00 0.26 0.00 3.15 5.08 -1.36 -2.20 114.58 119.51 1l5p h GLU 65 Ca 0.30 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1l5p h GLU 65 Cb 1.33 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1l5p h GLU 65 CO -0.00 0.40 -0.24 1.19 -1.00 0.00 0.00 179.01 179.36 1l5p n PHE 66 N -4.26 0.10 0.13 4.33 0.99 0.54 -3.88 117.46 115.42 1l5p n PHE 66 Ca -0.01 0.03 0.07 0.00 -0.00 0.00 0.00 57.45 57.55 1l5p n PHE 66 Cb 0.28 -0.44 0.14 0.00 -1.00 0.00 0.00 39.48 38.46 1l5p n PHE 66 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1l5p n LEU 67 N -1.59 2.79 -0.30 4.37 4.77 -0.84 -4.63 117.00 121.56 1l5p n LEU 67 Ca 0.06 -1.57 -0.05 0.00 -0.03 0.00 0.00 56.01 54.43 1l5p n LEU 67 Cb 0.35 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.34 1l5p n LEU 67 CO 0.31 0.63 1.16 -0.33 -1.33 0.00 0.00 177.39 177.83 1l5p h GLU 68 N 2.75 1.12 -0.64 3.23 5.08 -1.63 -2.41 114.58 122.08 1l5p h GLU 68 Ca 0.00 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1l5p h GLU 68 Cb 0.72 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 1l5p h GLU 68 CO 0.00 0.81 0.08 -0.25 -1.00 0.00 0.00 179.01 178.64 1l5p n ASP 69 N -4.43 5.47 -4.70 1.42 8.00 -1.26 -4.95 116.55 116.10 1l5p n ASP 69 Ca 0.08 -3.00 -0.23 0.00 0.71 0.00 0.00 54.79 52.35 1l5p n ASP 69 Cb 0.08 -0.70 -0.07 0.00 -0.02 0.00 0.00 41.12 40.40 1l5p n ASP 69 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1l5p s GLN 70 N -2.80 2.31 0.62 -1.24 -1.52 -0.91 -5.10 119.66 111.02 1l5p s GLN 70 Ca 0.54 -1.55 -0.18 0.00 -1.95 0.00 0.00 55.36 52.22 1l5p s GLN 70 Cb 0.42 -2.13 -0.03 0.00 -0.22 0.00 0.00 33.01 31.04 1l5p s GLN 70 CO 0.15 0.17 1.10 -2.30 -0.25 0.00 0.00 175.29 174.16 1l5p n PRO 71 N -1.06 1.00 -0.38 2.91 -0.02 -1.26 -4.86 135.00 131.33 1l5p n PRO 71 Ca -0.04 0.39 0.36 0.00 -2.02 0.00 0.00 63.50 62.19 1l5p n PRO 71 Cb 0.61 -2.32 0.72 0.00 -0.02 0.00 0.00 33.50 32.49 1l5p n PRO 71 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1l5p h ALA 72 N 0.52 3.07 -0.44 3.55 0.00 -1.98 0.10 119.26 124.09 1l5p h ALA 72 Ca -0.49 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 1l5p h ALA 72 Cb 1.35 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 1l5p h ALA 72 CO 0.52 -1.47 0.06 0.27 0.00 0.00 0.00 179.25 178.64 1l5p n ASN 73 N -4.24 4.17 -4.81 0.00 0.23 -1.26 -5.00 115.26 104.36 1l5p n ASN 73 Ca 0.28 -3.18 -0.34 0.00 -0.53 0.00 0.00 54.58 50.82 1l5p n ASN 73 Cb 1.30 -0.63 -0.07 0.00 -2.08 0.00 0.00 39.78 38.30 1l5p n ASN 73 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1l5p s ALA 74 N -2.93 3.07 0.09 -2.53 0.00 0.34 -1.49 121.76 118.31 1l5p s ALA 74 Ca 0.48 0.43 -0.13 0.00 0.00 0.00 0.00 51.96 52.74 1l5p s ALA 74 Cb 0.39 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 20.36 1l5p s ALA 74 CO 0.10 0.13 0.30 1.03 0.00 0.00 0.00 175.76 177.31 1l5p s ARG 75 N -2.92 0.91 -0.20 0.00 1.81 -0.29 -4.89 118.95 113.37 1l5p s ARG 75 Ca 0.59 -0.74 -0.19 0.00 -1.72 0.00 0.00 55.73 53.67 1l5p s ARG 75 Cb -0.11 0.39 -0.03 0.00 -0.45 0.00 0.00 34.95 34.74 1l5p s ARG 75 CO 0.16 -0.32 0.56 -0.51 -0.68 0.00 0.00 175.30 174.51 1l5p s LEU 76 N -2.60 4.14 0.33 2.53 1.43 -1.26 -1.49 118.68 121.75 1l5p s LEU 76 Ca 0.01 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 53.86 1l5p s LEU 76 Cb 0.02 -2.77 0.61 0.00 0.03 0.00 0.00 46.19 44.08 1l5p s LEU 76 CO -0.09 -0.22 1.94 0.00 0.23 0.00 0.00 176.35 178.21 1l5p h ALA 77 N 7.50 1.58 0.00 4.21 0.00 -1.54 -1.35 119.26 129.67 1l5p h ALA 77 Ca -0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1l5p h ALA 77 Cb 1.15 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1l5p h ALA 77 CO 0.75 0.32 0.00 0.00 0.00 0.00 0.00 179.25 180.32 1l5p n ALA 79 N -1.48 3.08 -3.13 0.00 0.00 -0.51 -4.78 120.51 113.69 1l5p n ALA 79 Ca 0.05 -0.48 -0.38 0.00 0.00 0.00 0.00 53.44 52.64 1l5p n ALA 79 Cb 0.24 -1.04 -0.12 0.00 0.00 0.00 0.00 19.45 18.52 1l5p n ALA 79 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1l5p s ILE 80 N -2.40 4.04 -0.36 0.00 1.01 -1.00 -5.01 121.20 117.48 1l5p s ILE 80 Ca 0.25 -0.77 -0.15 0.00 0.00 0.00 0.00 60.65 59.98 1l5p s ILE 80 Cb 0.19 -3.14 -0.01 0.00 0.01 0.00 0.00 42.46 39.52 1l5p s ILE 80 CO 0.49 -0.00 0.33 -0.89 0.00 0.00 0.00 174.94 174.87 1l5p s THR 81 N 1.49 5.20 0.24 2.92 2.01 -1.26 -1.49 115.64 124.75 1l5p s THR 81 Ca 0.02 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.56 1l5p s THR 81 Cb -0.18 -3.83 -0.09 0.00 0.01 0.00 0.00 72.50 68.41 1l5p s THR 81 CO 0.03 -0.13 1.16 -0.76 -0.69 0.00 0.00 174.62 174.23 1l5p s LEU 82 N 1.91 4.49 0.29 4.42 1.43 0.27 -4.86 118.68 126.62 1l5p s LEU 82 Ca 0.09 2.29 -0.02 0.00 -1.03 0.00 0.00 54.13 55.46 1l5p s LEU 82 Cb -0.17 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.41 1l5p s LEU 82 CO 0.11 -0.29 0.35 -0.94 0.23 0.00 0.00 176.35 175.81 1l5p s SER 83 N -0.34 0.74 0.46 2.29 1.04 -1.26 -0.18 113.70 116.45 1l5p s SER 83 Ca 0.49 -1.44 0.22 0.00 0.48 0.00 0.00 55.95 55.71 1l5p s SER 83 Cb -0.33 0.56 1.22 0.00 0.10 0.00 0.00 66.02 67.57 1l5p s SER 83 CO 0.40 -1.11 1.86 1.23 0.98 0.00 0.00 173.24 176.60 1l5p h GLY 84 N 2.27 0.62 2.00 7.32 0.00 -1.98 0.99 103.07 114.28 1l5p h GLY 84 Ca -0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1l5p h GLY 84 CO 0.41 -0.02 -0.03 0.83 0.00 0.00 0.00 176.54 177.73 1l5p h GLU 85 N 0.27 0.00 -0.16 4.80 4.39 -1.96 -1.87 114.58 120.05 1l5p h GLU 85 Ca 0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.17 1l5p h GLU 85 Cb 1.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 1l5p h GLU 85 CO -0.13 0.03 0.00 0.09 -1.16 0.00 0.00 179.01 177.84 1l5p n ASN 86 N -3.43 2.03 -4.67 1.42 4.13 0.34 -4.48 115.26 110.61 1l5p n ASN 86 Ca -0.02 -1.74 -0.42 0.00 1.68 0.00 0.00 54.58 54.08 1l5p n ASN 86 Cb 0.15 -0.10 -0.03 0.00 -1.54 0.00 0.00 39.78 38.26 1l5p n ASN 86 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1l5p s ASP 87 N -1.68 6.49 0.00 6.41 2.15 -0.71 -1.60 116.67 127.74 1l5p s ASP 87 Ca 0.34 2.60 0.00 0.00 0.43 0.00 0.00 52.55 55.92 1l5p s ASP 87 Cb 0.19 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 1l5p s ASP 87 CO 0.29 -1.02 0.00 0.61 -0.17 0.00 0.00 175.17 174.88 1l5p n GLY 88 N 4.40 0.41 3.76 2.66 0.00 0.16 -4.93 105.19 111.65 1l5p n GLY 88 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1l5p n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l5p s ALA 89 N -2.08 2.67 -0.07 4.61 0.00 -0.63 -4.63 121.76 121.63 1l5p s ALA 89 Ca 0.00 0.95 0.05 0.00 0.00 0.00 0.00 51.96 52.95 1l5p s ALA 89 Cb 0.00 -3.41 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 1l5p s ALA 89 CO 0.00 -0.96 -0.22 0.08 0.00 0.00 0.00 175.76 174.67 1l5p s VAL 90 N -1.64 1.82 0.03 0.00 1.01 -0.27 -1.03 120.40 120.32 1l5p s VAL 90 Ca 0.74 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.87 1l5p s VAL 90 Cb -0.28 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 1l5p s VAL 90 CO 0.32 0.51 -0.19 -0.36 0.00 0.00 0.00 175.10 175.37 1l5p s PHE 91 N 0.16 1.69 -0.16 5.22 0.40 0.69 -1.13 117.98 124.85 1l5p s PHE 91 Ca -0.11 -0.35 -0.05 0.00 -0.60 0.00 0.00 56.93 55.82 1l5p s PHE 91 Cb -0.15 -1.03 -0.03 0.00 0.51 0.00 0.00 43.02 42.32 1l5p s PHE 91 CO 0.05 0.05 -0.00 -1.21 0.70 0.00 0.00 175.22 174.81 1l5p s GLU 92 N -0.97 3.70 0.00 0.44 2.02 0.11 -0.09 118.70 123.91 1l5p s GLU 92 Ca 0.07 -0.46 0.22 0.00 0.02 0.00 0.00 54.97 54.82 1l5p s GLU 92 Cb -0.08 -2.99 0.18 0.00 0.10 0.00 0.00 34.13 31.33 1l5p s GLU 92 CO 0.01 0.29 1.21 1.28 0.02 0.00 0.00 175.26 178.08