#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p n ARG 2 N 0.00 -1.11 -2.25 -1.46 5.12 -1.26 -4.69 116.66 111.01 3i1p n ARG 2 Ca 0.00 0.03 -0.32 0.00 -1.93 0.00 0.00 57.85 55.63 3i1p n ARG 2 Cb 0.00 -1.49 -0.04 0.00 -1.16 0.00 0.00 32.46 29.77 3i1p n ARG 2 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3i1p s VAL 3 N -1.42 3.65 0.21 1.55 -7.23 -1.26 -4.57 120.40 111.32 3i1p s VAL 3 Ca 0.20 -0.62 0.19 0.00 -1.81 0.00 0.00 61.98 59.94 3i1p s VAL 3 Cb -0.11 -4.46 0.19 0.00 0.56 0.00 0.00 36.38 32.56 3i1p s VAL 3 CO 0.24 -1.34 1.54 0.00 -0.31 0.00 0.00 175.10 175.23 3i1p n GLN 5 N -2.35 0.00 0.23 0.00 -0.06 -1.24 -3.99 117.38 109.97 3i1p n GLN 5 Ca -0.01 0.00 -0.15 0.00 -2.00 0.00 0.00 57.00 54.84 3i1p n GLN 5 Cb 0.31 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.41 3i1p n GLN 5 CO 0.00 0.00 0.00 -0.24 -0.20 0.00 0.00 177.06 176.62 3i1p h VAL 6 N 0.00 0.56 -0.14 1.69 3.04 -1.86 -3.35 116.25 116.19 3i1p h VAL 6 Ca 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 3i1p h VAL 6 Cb 0.00 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 29.99 3i1p h VAL 6 CO 0.00 0.06 0.00 0.35 -1.01 0.00 0.00 177.57 176.97 3i1p n THR 7 N -5.26 0.62 -1.79 3.17 -2.24 -1.26 -5.00 114.28 102.54 3i1p n THR 7 Ca -0.11 -0.81 -0.17 0.00 -2.27 0.00 0.00 64.05 60.69 3i1p n THR 7 Cb 0.28 0.74 -0.05 0.00 -2.10 0.00 0.00 70.33 69.20 3i1p n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1p n GLY 8 N 0.23 0.92 3.77 3.38 0.00 -1.26 -4.92 105.19 107.31 3i1p n GLY 8 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3i1p n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1p s LYS 9 N -3.94 4.09 0.26 1.61 1.02 -1.26 -4.77 119.74 116.75 3i1p s LYS 9 Ca 0.00 2.34 0.04 0.00 0.02 0.00 0.00 55.97 58.37 3i1p s LYS 9 Cb 0.00 -2.90 -0.06 0.00 -0.52 0.00 0.00 37.83 34.35 3i1p s LYS 9 CO 0.00 -0.46 0.01 1.03 -0.92 0.00 0.00 175.35 175.01 3i1p s ARG 10 N -2.09 1.45 0.05 1.68 0.52 -1.26 -3.66 118.95 115.63 3i1p s ARG 10 Ca 0.54 -1.75 -0.30 0.00 -0.52 0.00 0.00 55.73 53.69 3i1p s ARG 10 Cb -0.42 -0.75 -0.09 0.00 0.52 0.00 0.00 34.95 34.22 3i1p s ARG 10 CO 0.56 -0.10 1.82 -1.25 0.02 0.00 0.00 175.30 176.34 3i1p s PRO 11 N -3.85 4.16 -0.09 3.54 0.04 -1.26 -4.57 135.00 132.96 3i1p s PRO 11 Ca 0.31 2.48 0.04 0.00 0.04 0.00 0.00 61.00 63.87 3i1p s PRO 11 Cb 0.06 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.72 3i1p s PRO 11 CO 0.11 -0.87 -0.22 0.14 0.04 0.00 0.00 177.00 176.20 3i1p s VAL 12 N 3.61 1.90 -0.13 -0.36 -7.23 -0.12 -4.99 120.40 113.08 3i1p s VAL 12 Ca 0.81 -0.93 -0.29 0.00 -1.81 0.00 0.00 61.98 59.76 3i1p s VAL 12 Cb -0.41 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 34.86 3i1p s VAL 12 CO 0.36 0.53 1.08 0.42 -0.31 0.00 0.00 175.10 177.18 3i1p s THR 13 N 0.36 4.60 0.00 5.32 -4.23 -1.26 -0.16 115.64 120.26 3i1p s THR 13 Ca -0.17 1.89 0.00 0.00 -1.18 0.00 0.00 61.69 62.23 3i1p s THR 13 Cb -0.17 -4.22 0.00 0.00 1.34 0.00 0.00 72.50 69.45 3i1p s THR 13 CO 0.08 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 3i1p n GLY 14 N 3.25 6.55 3.35 3.99 0.00 -1.26 -4.84 105.19 116.24 3i1p n GLY 14 Ca 0.10 -1.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.08 3i1p n GLY 14 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i1p s ASN 15 N 1.00 3.09 -0.04 1.61 0.01 -1.26 -1.07 114.94 118.28 3i1p s ASN 15 Ca 0.00 -0.69 -0.20 0.00 -0.71 0.00 0.00 52.86 51.25 3i1p s ASN 15 Cb 0.00 -0.22 -0.14 0.00 0.41 0.00 0.00 41.25 41.30 3i1p s ASN 15 CO 0.00 0.17 0.87 0.78 -1.51 0.00 0.00 177.10 177.42 3i1p h ASN 16 N 4.15 -0.26 -5.49 -1.22 2.35 -1.85 -3.42 115.58 109.85 3i1p h ASN 16 Ca -0.49 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 54.99 3i1p h ASN 16 Cb 1.17 0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.60 3i1p h ASN 16 CO 0.40 0.25 -0.97 0.54 -1.65 0.00 0.00 177.43 176.00 3i1p n ARG 17 N -4.99 -2.62 -0.72 0.81 5.12 -1.26 -5.01 116.66 107.99 3i1p n ARG 17 Ca -0.08 2.23 -0.13 0.00 -1.93 0.00 0.00 57.85 57.95 3i1p n ARG 17 Cb 0.25 -4.28 0.09 0.00 -1.16 0.00 0.00 32.46 27.37 3i1p n ARG 17 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3i1p n SER 18 N 0.74 -0.32 -4.73 0.55 3.41 -1.24 -4.92 113.62 107.12 3i1p n SER 18 Ca 0.01 -1.10 -0.29 0.00 -0.26 0.00 0.00 58.87 57.22 3i1p n SER 18 Cb 0.18 -0.43 0.14 0.00 -0.26 0.00 0.00 64.21 63.83 3i1p n SER 18 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3i1p s HIS 19 N -2.14 2.36 0.00 7.33 0.09 -1.26 -2.32 115.29 119.35 3i1p s HIS 19 Ca 0.32 1.16 0.00 0.00 -0.00 0.00 0.00 55.06 56.54 3i1p s HIS 19 Cb -0.01 -3.19 0.00 0.00 -0.00 0.00 0.00 32.58 29.38 3i1p s HIS 19 CO 0.23 -2.40 0.00 0.00 -0.00 0.00 0.00 174.74 172.57 3i1p n ALA 20 N -3.87 0.00 -0.74 -1.40 0.00 -1.26 -4.05 120.51 109.19 3i1p n ALA 20 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3i1p n ALA 20 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3i1p n ALA 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i1p n LEU 21 N 0.00 0.00 -4.59 0.00 4.77 -0.98 -4.99 117.00 111.21 3i1p n LEU 21 Ca 0.00 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.52 3i1p n LEU 21 Cb 0.00 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.68 3i1p n LEU 21 CO 0.00 0.00 1.74 0.59 -1.33 0.00 0.00 177.39 178.39 3i1p n ASN 22 N 0.42 3.15 -4.60 -1.43 3.02 -1.26 -4.63 115.26 109.92 3i1p n ASN 22 Ca 0.00 0.48 -0.41 0.00 -0.03 0.00 0.00 54.58 54.62 3i1p n ASN 22 Cb 0.00 -1.45 -0.07 0.00 -0.61 0.00 0.00 39.78 37.66 3i1p n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1p s ALA 23 N 6.81 3.53 -0.23 5.41 0.00 -1.26 -3.62 121.76 132.41 3i1p s ALA 23 Ca 1.00 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 52.28 3i1p s ALA 23 Cb -0.54 -3.09 0.08 0.00 0.00 0.00 0.00 23.12 19.56 3i1p s ALA 23 CO 0.43 -1.07 0.09 0.95 0.00 0.00 0.00 175.76 176.16 3i1p s THR 24 N 2.60 0.21 -0.08 0.00 -4.23 -1.26 -4.98 115.64 107.90 3i1p s THR 24 Ca 0.25 -0.60 -0.14 0.00 -1.18 0.00 0.00 61.69 60.03 3i1p s THR 24 Cb -0.15 -0.95 -0.06 0.00 1.34 0.00 0.00 72.50 72.67 3i1p s THR 24 CO 0.12 -0.43 0.42 0.29 -0.54 0.00 0.00 174.62 174.47 3i1p n LYS 25 N 5.15 0.00 -0.07 3.99 4.76 -1.26 -3.41 118.16 127.32 3i1p n LYS 25 Ca -0.07 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.30 3i1p n LYS 25 Cb 0.46 -0.47 -0.08 0.00 -1.84 0.00 0.00 35.03 33.09 3i1p n LYS 25 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3i1p n ARG 26 N 0.85 1.37 -1.75 1.97 1.85 -0.23 -4.74 116.66 115.98 3i1p n ARG 26 Ca 0.08 0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 3i1p n ARG 26 Cb 0.00 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.11 3i1p n ARG 26 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3i1p n ARG 27 N -2.65 -3.27 -2.94 2.89 0.63 -1.22 -4.87 116.66 105.22 3i1p n ARG 27 Ca -0.23 2.55 -0.24 0.00 -0.92 0.00 0.00 57.85 59.01 3i1p n ARG 27 Cb 0.85 -3.00 0.01 0.00 0.45 0.00 0.00 32.46 30.76 3i1p n ARG 27 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3i1p s PHE 28 N -0.36 3.35 0.22 -0.14 0.40 0.77 -4.83 117.98 117.39 3i1p s PHE 28 Ca 0.00 0.41 -0.22 0.00 -0.60 0.00 0.00 56.93 56.51 3i1p s PHE 28 Cb 0.00 -2.27 0.05 0.00 0.51 0.00 0.00 43.02 41.32 3i1p s PHE 28 CO 0.00 -0.29 0.90 -0.48 0.70 0.00 0.00 175.22 176.05 3i1p s LEU 29 N -4.58 -0.14 0.15 -0.37 0.05 -1.26 -0.95 118.68 111.57 3i1p s LEU 29 Ca 0.47 -0.59 0.04 0.00 0.05 0.00 0.00 54.13 54.10 3i1p s LEU 29 Cb -0.10 2.36 -0.04 0.00 -2.05 0.00 0.00 46.19 46.37 3i1p s LEU 29 CO 0.40 -1.12 0.15 -2.16 -0.55 0.00 0.00 176.35 173.07 3i1p s PRO 30 N -3.13 2.98 -0.50 1.48 0.04 -1.26 -5.01 135.00 129.61 3i1p s PRO 30 Ca 0.14 -0.80 -0.25 0.00 0.04 0.00 0.00 61.00 60.13 3i1p s PRO 30 Cb -0.03 -2.71 0.03 0.00 0.04 0.00 0.00 34.50 31.83 3i1p s PRO 30 CO 0.05 0.50 0.93 0.54 0.04 0.00 0.00 177.00 179.06 3i1p s ASN 31 N -3.02 6.43 -0.15 6.66 6.03 -1.26 -5.00 114.94 124.63 3i1p s ASN 31 Ca 0.31 -0.07 0.01 0.00 -1.03 0.00 0.00 52.86 52.08 3i1p s ASN 31 Cb -0.11 -2.44 -0.00 0.00 -3.03 0.00 0.00 41.25 35.67 3i1p s ASN 31 CO 0.24 -1.12 -0.16 -0.76 -2.03 0.00 0.00 177.10 173.27 3i1p s LEU 32 N 3.83 2.45 -0.08 3.54 2.01 -1.26 -4.07 118.68 125.10 3i1p s LEU 32 Ca 0.34 -0.48 0.06 0.00 0.01 0.00 0.00 54.13 54.07 3i1p s LEU 32 Cb -0.11 -1.55 0.15 0.00 0.01 0.00 0.00 46.19 44.69 3i1p s LEU 32 CO 0.24 0.09 1.13 0.00 1.01 0.00 0.00 176.35 178.82 3i1p n HIS 33 N 4.02 -0.37 -1.29 0.29 1.44 -1.26 -5.01 115.22 113.04 3i1p n HIS 33 Ca -0.19 -0.80 0.16 0.00 -2.01 0.00 0.00 57.72 54.88 3i1p n HIS 33 Cb 0.52 0.61 -0.07 0.00 0.12 0.00 0.00 29.99 31.17 3i1p n HIS 33 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 3i1p n SER 34 N -0.27 -7.55 0.00 4.39 7.64 -1.26 -5.00 113.62 111.56 3i1p n SER 34 Ca -0.21 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.71 3i1p n SER 34 Cb 0.79 -4.27 0.00 0.00 -1.01 0.00 0.00 64.21 59.72 3i1p n SER 34 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 3i1p n HIS 35 N -4.12 0.00 -2.92 1.43 -0.00 -1.26 -4.80 115.22 103.55 3i1p n HIS 35 Ca -0.05 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.26 3i1p n HIS 35 Cb 0.61 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.56 3i1p n HIS 35 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 3i1p s ARG 36 N 0.00 4.38 0.01 1.57 0.52 -1.26 -2.05 118.95 122.12 3i1p s ARG 36 Ca 0.00 1.02 0.01 0.00 -0.52 0.00 0.00 55.73 56.24 3i1p s ARG 36 Cb 0.00 -3.51 -0.04 0.00 0.52 0.00 0.00 34.95 31.92 3i1p s ARG 36 CO 0.00 -0.15 0.04 -0.06 0.02 0.00 0.00 175.30 175.15 3i1p s PHE 37 N 1.52 3.16 -0.10 -0.53 0.08 -0.30 -4.85 117.98 116.95 3i1p s PHE 37 Ca 0.40 0.12 -0.15 0.00 0.12 0.00 0.00 56.93 57.42 3i1p s PHE 37 Cb -0.18 -1.68 -0.05 0.00 -0.57 0.00 0.00 43.02 40.54 3i1p s PHE 37 CO 0.16 0.50 0.36 -0.46 -0.10 0.00 0.00 175.22 175.68 3i1p s TRP 38 N -1.16 3.56 -0.06 0.36 -0.00 -1.26 -0.13 118.94 120.24 3i1p s TRP 38 Ca 0.22 0.77 0.07 0.00 -0.00 0.00 0.00 56.10 57.16 3i1p s TRP 38 Cb -0.12 -2.35 -0.10 0.00 -0.00 0.00 0.00 33.47 30.90 3i1p s TRP 38 CO 0.13 0.37 0.06 1.33 -0.00 0.00 0.00 176.95 178.84 3i1p n VAL 39 N 2.99 0.43 0.00 5.86 0.24 -1.19 -4.99 118.33 121.68 3i1p n VAL 39 Ca -0.12 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 3i1p n VAL 39 Cb 0.52 -0.58 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 3i1p n VAL 39 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i1p n GLU 40 N -2.19 0.00 0.00 7.34 -0.58 -1.26 -4.55 120.64 119.40 3i1p n GLU 40 Ca -0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 3i1p n GLU 40 Cb 0.65 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.52 3i1p n GLU 40 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3i1p n SER 41 N 1.80 0.00 0.17 1.62 7.64 -1.26 -0.26 113.62 123.33 3i1p n SER 41 Ca 0.00 0.53 0.12 0.00 1.01 0.00 0.00 58.87 60.53 3i1p n SER 41 Cb 0.00 -0.03 0.59 0.00 -1.01 0.00 0.00 64.21 63.76 3i1p n SER 41 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3i1p h GLU 42 N 0.00 0.00 -3.81 1.43 4.81 -2.01 -3.46 114.58 111.55 3i1p h GLU 42 Ca 0.00 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 3i1p h GLU 42 Cb 0.00 0.00 0.08 0.00 0.63 0.00 0.00 28.75 29.46 3i1p h GLU 42 CO 0.00 0.00 -0.39 1.17 -0.73 0.00 0.00 179.01 179.06 3i1p n LYS 43 N -2.35 -4.29 -3.88 1.92 3.00 0.65 -5.03 118.16 108.18 3i1p n LYS 43 Ca 0.00 0.47 -0.09 0.00 -0.00 0.00 0.00 58.31 58.69 3i1p n LYS 43 Cb 0.14 -4.40 -0.04 0.00 0.00 0.00 0.00 35.03 30.73 3i1p n LYS 43 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3i1p s ARG 44 N -5.49 1.52 -0.06 1.64 1.70 -1.26 -4.92 118.95 112.09 3i1p s ARG 44 Ca 0.24 -1.06 -0.24 0.00 -0.47 0.00 0.00 55.73 54.20 3i1p s ARG 44 Cb -0.11 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.75 3i1p s ARG 44 CO 0.41 -0.65 0.73 -0.06 -1.08 0.00 0.00 175.30 174.65 3i1p s PHE 45 N -3.95 3.59 -0.26 5.89 0.40 -1.26 -3.14 117.98 119.26 3i1p s PHE 45 Ca 0.15 1.29 0.03 0.00 -0.60 0.00 0.00 56.93 57.81 3i1p s PHE 45 Cb -0.02 -2.83 0.06 0.00 0.51 0.00 0.00 43.02 40.74 3i1p s PHE 45 CO 0.04 0.08 -0.11 0.14 0.70 0.00 0.00 175.22 176.07 3i1p s VAL 46 N 0.81 2.16 0.10 -0.44 -7.23 0.82 -4.84 120.40 111.77 3i1p s VAL 46 Ca 0.39 -1.64 -0.29 0.00 -1.81 0.00 0.00 61.98 58.63 3i1p s VAL 46 Cb -0.18 -2.27 -0.06 0.00 0.56 0.00 0.00 36.38 34.43 3i1p s VAL 46 CO 0.19 -0.03 0.94 0.28 -0.31 0.00 0.00 175.10 176.17 3i1p s THR 47 N 1.10 4.55 -0.12 5.32 -1.32 -1.26 -1.15 115.64 122.76 3i1p s THR 47 Ca -0.09 2.03 -0.04 0.00 -1.21 0.00 0.00 61.69 62.38 3i1p s THR 47 Cb -0.20 -4.30 0.06 0.00 -1.51 0.00 0.00 72.50 66.55 3i1p s THR 47 CO -0.05 0.31 0.19 -0.76 -2.21 0.00 0.00 174.62 172.10 3i1p s LEU 48 N 0.06 -0.10 -0.58 9.08 1.43 -0.87 -4.92 118.68 122.78 3i1p s LEU 48 Ca 0.46 0.20 -0.26 0.00 -1.03 0.00 0.00 54.13 53.50 3i1p s LEU 48 Cb -0.23 0.34 -0.09 0.00 0.03 0.00 0.00 46.19 46.24 3i1p s LEU 48 CO 0.29 -0.27 2.43 0.54 0.23 0.00 0.00 176.35 179.57 3i1p n ARG 49 N 5.33 0.89 -1.91 1.70 1.74 -1.26 -4.09 116.66 119.06 3i1p n ARG 49 Ca -0.05 -0.21 0.00 0.00 -0.77 0.00 0.00 57.85 56.82 3i1p n ARG 49 Cb 0.50 -3.44 0.00 0.00 -1.02 0.00 0.00 32.46 28.50 3i1p n ARG 49 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3i1p n VAL 50 N 8.16 0.00 -4.29 1.55 0.24 -1.26 -3.66 118.33 119.07 3i1p n VAL 50 Ca 0.40 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.53 3i1p n VAL 50 Cb 0.50 -0.06 -0.10 0.00 -1.47 0.00 0.00 33.84 32.71 3i1p n VAL 50 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3i1p s SER 51 N -0.97 2.22 0.70 -1.34 1.04 -1.26 -4.01 113.70 110.08 3i1p s SER 51 Ca 0.00 -0.96 -0.16 0.00 0.48 0.00 0.00 55.95 55.31 3i1p s SER 51 Cb 0.00 -0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.05 3i1p s SER 51 CO 0.00 -0.20 1.16 0.00 0.98 0.00 0.00 173.24 175.18 3i1p n ALA 52 N -0.06 0.43 0.00 5.32 0.00 -1.26 0.34 120.51 125.28 3i1p n ALA 52 Ca -0.11 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3i1p n ALA 52 Cb 0.59 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.81 3i1p n ALA 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i1p n LYS 53 N -2.15 0.00 0.00 0.00 0.00 -1.26 -4.36 118.16 110.38 3i1p n LYS 53 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 58.31 58.54 3i1p n LYS 53 Cb 0.49 -0.29 0.48 0.00 0.00 0.00 0.00 35.03 35.71 3i1p n LYS 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i1p n GLY 54 N 0.00 -0.72 0.12 3.14 0.00 0.15 0.59 105.19 108.47 3i1p n GLY 54 Ca 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 3i1p n GLY 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i1p n MET 55 N -1.15 0.23 -0.00 1.61 2.81 0.15 -4.31 117.12 116.46 3i1p n MET 55 Ca 0.11 0.06 0.22 0.00 -1.81 0.00 0.00 57.70 56.27 3i1p n MET 55 Cb 0.10 -1.15 0.72 0.00 -0.71 0.00 0.00 33.22 32.18 3i1p n MET 55 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3i1p h ARG 56 N -0.04 0.00 0.11 0.03 2.43 -1.67 1.19 114.38 116.44 3i1p h ARG 56 Ca -0.21 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.69 3i1p h ARG 56 Cb 1.31 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.89 3i1p h ARG 56 CO -0.04 0.00 -1.10 -0.24 -1.51 0.00 0.00 179.97 177.07 3i1p h VAL 57 N 0.00 1.33 0.00 0.20 3.04 -0.10 -3.00 116.25 117.73 3i1p h VAL 57 Ca 0.26 -2.42 -0.02 0.00 -1.01 0.00 0.00 66.70 63.51 3i1p h VAL 57 Cb 1.14 2.77 -0.00 0.00 -2.01 0.00 0.00 31.29 33.19 3i1p h VAL 57 CO -0.00 0.73 -0.08 0.40 -1.01 0.00 0.00 177.57 177.60 3i1p h ILE 58 N 0.12 0.26 0.00 3.17 2.04 -0.41 0.10 117.51 122.81 3i1p h ILE 58 Ca -0.17 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 3i1p h ILE 58 Cb 1.80 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 39.36 3i1p h ILE 58 CO 0.21 0.08 -0.10 0.44 0.00 0.00 0.00 178.15 178.78 3i1p h ASP 59 N 0.00 0.00 0.00 1.72 3.32 0.12 -3.22 116.42 118.36 3i1p h ASP 59 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i1p h ASP 59 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3i1p h ASP 59 CO 0.01 0.10 0.00 1.17 -1.72 0.00 0.00 179.24 178.80 3i1p n LYS 60 N -3.16 0.00 -0.37 3.56 4.81 -0.33 -4.68 118.16 117.99 3i1p n LYS 60 Ca 0.02 0.00 0.33 0.00 -0.87 0.00 0.00 58.31 57.79 3i1p n LYS 60 Cb 0.48 0.00 0.58 0.00 0.02 0.00 0.00 35.03 36.11 3i1p n LYS 60 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3i1p n LYS 61 N -0.60 -0.04 0.00 1.64 5.02 -0.13 -4.79 118.16 119.26 3i1p n LYS 61 Ca 0.00 1.18 0.00 0.00 -2.02 0.00 0.00 58.31 57.47 3i1p n LYS 61 Cb 0.00 -2.24 0.00 0.00 -0.02 0.00 0.00 35.03 32.77 3i1p n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1p n GLY 62 N -1.37 3.66 0.00 0.72 0.00 -1.22 -4.58 105.19 102.40 3i1p n GLY 62 Ca 0.36 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3i1p n GLY 62 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i1p n ILE 63 N 0.02 0.00 -0.20 -0.61 -6.64 -1.22 0.69 119.36 111.40 3i1p n ILE 63 Ca 0.00 0.91 -0.08 0.00 -1.77 0.00 0.00 62.75 61.81 3i1p n ILE 63 Cb 0.00 -1.23 0.02 0.00 -1.44 0.00 0.00 39.64 36.99 3i1p n ILE 63 CO 0.00 0.00 0.00 0.44 -1.77 0.00 0.00 176.55 175.22 3i1p h ASP 64 N 0.00 0.87 -0.98 7.28 3.32 -1.93 -2.02 116.42 122.95 3i1p h ASP 64 Ca 0.00 -0.23 0.15 0.00 0.02 0.00 0.00 57.03 56.97 3i1p h ASP 64 Cb 0.00 -0.23 -0.09 0.00 0.22 0.00 0.00 39.33 39.23 3i1p h ASP 64 CO 0.00 0.87 0.62 0.74 -1.72 0.00 0.00 179.24 179.75 3i1p h THR 65 N 0.82 0.84 0.00 0.35 2.02 -1.52 1.22 112.91 116.63 3i1p h THR 65 Ca 0.18 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3i1p h THR 65 Cb 0.34 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 3i1p h THR 65 CO 0.00 0.16 0.00 0.58 0.37 0.00 0.00 175.52 176.63 3i1p h VAL 66 N 0.86 0.00 -0.37 3.16 2.07 0.78 -0.58 116.25 122.17 3i1p h VAL 66 Ca 0.51 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3i1p h VAL 66 Cb 0.67 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 3i1p h VAL 66 CO -0.29 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.48 3i1p n LEU 67 N -3.03 2.77 0.20 2.57 4.77 0.36 -4.05 117.00 120.58 3i1p n LEU 67 Ca 0.02 -1.25 -0.10 0.00 -0.03 0.00 0.00 56.01 54.65 3i1p n LEU 67 Cb 0.37 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 3i1p n LEU 67 CO 0.29 0.62 0.30 0.00 -1.33 0.00 0.00 177.39 177.27 3i1p h ALA 68 N 4.22 -0.57 -3.00 -1.18 0.00 0.20 -3.40 119.26 115.54 3i1p h ALA 68 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3i1p h ALA 68 Cb 0.76 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3i1p h ALA 68 CO 0.00 -0.55 0.00 0.39 0.00 0.00 0.00 179.25 179.09 3i1p n GLU 69 N -5.16 0.37 0.00 0.00 4.71 -1.25 -2.70 120.64 116.61 3i1p n GLU 69 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.07 3i1p n GLU 69 Cb 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.69 3i1p n GLU 69 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3i1p n LEU 70 N 0.00 0.00 0.22 -4.62 4.77 -1.26 -2.76 117.00 113.34 3i1p n LEU 70 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 3i1p n LEU 70 Cb 0.00 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.55 3i1p n LEU 70 CO 0.00 0.00 0.79 -0.09 -1.33 0.00 0.00 177.39 176.76 3i1p h ARG 71 N 0.00 0.00 0.00 3.23 2.43 -1.77 1.28 114.38 119.55 3i1p h ARG 71 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i1p h ARG 71 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3i1p h ARG 71 CO 0.00 0.27 0.00 0.00 -1.51 0.00 0.00 179.97 178.73 3i1p n ALA 72 N -2.29 2.12 -0.74 2.80 0.00 -1.10 -1.80 120.51 119.50 3i1p n ALA 72 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3i1p n ALA 72 Cb 0.41 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3i1p n ALA 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1p n ARG 73 N -0.88 0.04 -2.11 0.00 3.00 0.29 -5.03 116.66 111.98 3i1p n ARG 73 Ca 0.10 -0.04 -0.04 0.00 -0.01 0.00 0.00 57.85 57.85 3i1p n ARG 73 Cb 0.04 -0.46 0.02 0.00 0.00 0.00 0.00 32.46 32.06 3i1p n ARG 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i1p n GLY 74 N 0.02 0.29 2.81 -0.13 0.00 0.41 -5.01 105.19 103.58 3i1p n GLY 74 Ca 0.00 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 3i1p n GLY 74 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i1p n GLU 75 N -1.97 3.98 0.00 1.61 1.02 0.59 -4.93 120.64 120.94 3i1p n GLU 75 Ca -0.04 -4.78 0.00 0.00 -0.02 0.00 0.00 57.16 52.32 3i1p n GLU 75 Cb 0.54 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 3i1p n GLU 75 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3i1p n LYS 76 N -0.08 0.00 -0.43 3.49 2.85 -1.26 -4.79 118.16 117.95 3i1p n LYS 76 Ca 0.36 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.62 3i1p n LYS 76 Cb 0.35 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.73 3i1p n LYS 76 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83