#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1r s ARG 2 N 0.00 2.91 -0.11 1.43 0.52 -1.26 -4.85 118.95 117.59 3i1r s ARG 2 Ca 0.00 -0.88 -0.04 0.00 -0.52 0.00 0.00 55.73 54.29 3i1r s ARG 2 Cb 0.00 -5.22 0.06 0.00 0.52 0.00 0.00 34.95 30.30 3i1r s ARG 2 CO 0.00 -3.18 0.21 0.08 0.02 0.00 0.00 175.30 172.43 3i1r s VAL 3 N 8.65 -0.34 -0.01 3.52 1.01 -1.26 -3.80 120.40 128.18 3i1r s VAL 3 Ca 0.63 0.32 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 3i1r s VAL 3 Cb -0.03 -0.37 -0.06 0.00 0.00 0.00 0.00 36.38 35.92 3i1r s VAL 3 CO 0.02 0.13 1.53 0.00 0.00 0.00 0.00 175.10 176.79 3i1r h GLN 5 N 8.46 0.00 0.00 0.00 4.20 -1.83 -1.11 115.11 124.82 3i1r h GLN 5 Ca -0.39 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.06 3i1r h GLN 5 Cb 1.18 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.91 3i1r h GLN 5 CO 0.93 0.00 -1.99 1.55 -0.67 0.00 0.00 178.83 178.65 3i1r n VAL 6 N -2.85 0.99 0.60 -0.54 3.14 -1.26 -4.68 118.33 113.73 3i1r n VAL 6 Ca -0.01 -0.55 0.08 0.00 -2.96 0.00 0.00 64.34 60.90 3i1r n VAL 6 Cb 0.16 -0.75 -0.11 0.00 -1.06 0.00 0.00 33.84 32.09 3i1r n VAL 6 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3i1r n THR 7 N -2.65 0.00 0.00 1.55 -2.24 -1.13 -4.98 114.28 104.83 3i1r n THR 7 Ca -0.25 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3i1r n THR 7 Cb 0.93 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.95 3i1r n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1r n GLY 8 N 1.43 2.95 2.61 3.38 0.00 -0.44 -4.95 105.19 110.17 3i1r n GLY 8 Ca 0.02 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.56 3i1r n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1r n LYS 9 N -1.49 0.00 -4.32 1.61 5.02 -1.26 -4.50 118.16 113.21 3i1r n LYS 9 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 3i1r n LYS 9 Cb 0.00 -1.08 -0.10 0.00 -0.02 0.00 0.00 35.03 33.83 3i1r n LYS 9 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3i1r s ARG 10 N 2.78 1.28 0.96 1.97 1.70 -1.26 -1.09 118.95 125.29 3i1r s ARG 10 Ca 0.79 -1.60 -0.11 0.00 -0.47 0.00 0.00 55.73 54.34 3i1r s ARG 10 Cb -1.08 -0.83 0.17 0.00 -0.57 0.00 0.00 34.95 32.64 3i1r s ARG 10 CO 0.56 0.05 1.11 -2.14 -1.08 0.00 0.00 175.30 173.79 3i1r s PRO 11 N -3.75 0.69 0.35 3.89 0.02 -1.25 -4.74 135.00 130.22 3i1r s PRO 11 Ca 0.23 1.28 0.06 0.00 0.02 0.00 0.00 61.00 62.59 3i1r s PRO 11 Cb 0.03 -1.71 -0.03 0.00 0.02 0.00 0.00 34.50 32.81 3i1r s PRO 11 CO 0.06 -2.76 0.22 0.14 -0.33 0.00 0.00 177.00 174.33 3i1r s VAL 12 N -2.66 0.20 0.01 3.83 -7.23 -0.28 -5.00 120.40 109.27 3i1r s VAL 12 Ca 0.66 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.88 3i1r s VAL 12 Cb -0.22 -2.44 -0.01 0.00 0.56 0.00 0.00 36.38 34.26 3i1r s VAL 12 CO 0.59 0.00 -0.14 0.42 -0.31 0.00 0.00 175.10 175.66 3i1r s THR 13 N -3.41 1.11 0.00 5.32 -4.23 -1.26 -1.68 115.64 111.49 3i1r s THR 13 Ca 0.35 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 3i1r s THR 13 Cb 0.03 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.91 3i1r s THR 13 CO 0.22 0.20 0.00 0.61 -0.54 0.00 0.00 174.62 175.11 3i1r n GLY 14 N 2.42 3.05 3.87 3.99 0.00 -1.09 -4.94 105.19 112.48 3i1r n GLY 14 Ca -0.16 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.59 3i1r n GLY 14 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i1r s ASN 15 N 0.58 4.59 -0.11 1.61 0.01 -1.26 -0.42 114.94 119.95 3i1r s ASN 15 Ca 0.00 -1.22 0.10 0.00 -0.71 0.00 0.00 52.86 51.03 3i1r s ASN 15 Cb 0.00 0.23 -0.14 0.00 0.41 0.00 0.00 41.25 41.76 3i1r s ASN 15 CO 0.00 -0.98 0.04 0.59 -1.51 0.00 0.00 177.10 175.25 3i1r n ASN 16 N -1.64 2.31 -2.82 -1.22 3.02 -1.11 -4.77 115.26 109.03 3i1r n ASN 16 Ca -0.03 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.52 3i1r n ASN 16 Cb 0.64 0.78 -0.01 0.00 -0.61 0.00 0.00 39.78 40.59 3i1r n ASN 16 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i1r n ARG 17 N -2.40 -1.58 -0.49 3.52 5.12 -1.02 -4.95 116.66 114.86 3i1r n ARG 17 Ca -0.18 1.36 -0.09 0.00 -1.93 0.00 0.00 57.85 57.01 3i1r n ARG 17 Cb 0.85 -1.37 0.07 0.00 -1.16 0.00 0.00 32.46 30.85 3i1r n ARG 17 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3i1r n SER 18 N 2.33 -0.47 -0.20 0.55 3.41 -1.18 -4.76 113.62 113.30 3i1r n SER 18 Ca -0.05 -0.99 -0.07 0.00 -0.26 0.00 0.00 58.87 57.51 3i1r n SER 18 Cb 0.08 -0.31 0.03 0.00 -0.26 0.00 0.00 64.21 63.75 3i1r n SER 18 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3i1r h HIS 19 N -1.47 0.79 0.00 7.33 3.86 -1.95 0.10 115.15 123.81 3i1r h HIS 19 Ca -0.13 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 3i1r h HIS 19 Cb 0.37 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.59 3i1r h HIS 19 CO 0.00 0.56 0.03 0.00 0.86 0.00 0.00 177.93 179.38 3i1r n ALA 20 N -2.30 0.96 -2.74 2.45 0.00 -1.26 -4.81 120.51 112.81 3i1r n ALA 20 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 3i1r n ALA 20 Cb 0.08 -0.94 0.02 0.00 0.00 0.00 0.00 19.45 18.61 3i1r n ALA 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i1r n LEU 21 N -1.45 -2.26 -4.57 0.00 4.77 0.36 -5.00 117.00 108.85 3i1r n LEU 21 Ca 0.00 -0.17 -0.42 0.00 -0.03 0.00 0.00 56.01 55.39 3i1r n LEU 21 Cb 0.03 -1.66 -0.06 0.00 -2.33 0.00 0.00 43.42 39.40 3i1r n LEU 21 CO 0.00 0.17 0.48 0.20 -1.33 0.00 0.00 177.39 176.91 3i1r s ASN 22 N -2.96 6.47 0.18 -1.43 0.01 -1.26 -4.71 114.94 111.25 3i1r s ASN 22 Ca 0.18 0.18 -0.31 0.00 -0.71 0.00 0.00 52.86 52.21 3i1r s ASN 22 Cb -0.08 -2.36 -0.09 0.00 0.41 0.00 0.00 41.25 39.13 3i1r s ASN 22 CO 0.23 -0.69 1.42 0.00 -1.51 0.00 0.00 177.10 176.55 3i1r s ALA 23 N 2.93 3.62 -0.18 0.60 0.00 -1.26 -2.44 121.76 125.03 3i1r s ALA 23 Ca 0.28 1.23 -0.05 0.00 0.00 0.00 0.00 51.96 53.42 3i1r s ALA 23 Cb -0.14 -3.55 0.06 0.00 0.00 0.00 0.00 23.12 19.50 3i1r s ALA 23 CO 0.17 -0.67 0.09 0.95 0.00 0.00 0.00 175.76 176.30 3i1r s THR 24 N 0.55 -0.03 0.25 0.00 -4.23 -1.26 -4.87 115.64 106.05 3i1r s THR 24 Ca 0.62 -0.26 -0.29 0.00 -1.18 0.00 0.00 61.69 60.58 3i1r s THR 24 Cb -0.40 -0.65 -0.15 0.00 1.34 0.00 0.00 72.50 72.64 3i1r s THR 24 CO 0.36 -0.32 0.95 0.29 -0.54 0.00 0.00 174.62 175.36 3i1r n LYS 25 N 5.25 1.07 -1.24 3.99 4.76 -1.26 -2.77 118.16 127.97 3i1r n LYS 25 Ca -0.07 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 3i1r n LYS 25 Cb 0.48 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 3i1r n LYS 25 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3i1r n ARG 26 N 0.96 0.00 -4.62 1.97 -4.01 0.44 -4.90 116.66 106.50 3i1r n ARG 26 Ca 0.12 0.00 -0.23 0.00 -1.04 0.00 0.00 57.85 56.71 3i1r n ARG 26 Cb 0.29 0.00 -0.15 0.00 -3.04 0.00 0.00 32.46 29.57 3i1r n ARG 26 CO 0.00 0.00 0.00 1.03 -3.04 0.00 0.00 177.63 175.62 3i1r s ARG 27 N -1.38 1.17 -0.01 2.89 0.52 -1.26 -2.69 118.95 118.18 3i1r s ARG 27 Ca 0.00 -0.62 0.01 0.00 -0.52 0.00 0.00 55.73 54.60 3i1r s ARG 27 Cb 0.00 -1.15 -0.04 0.00 0.52 0.00 0.00 34.95 34.28 3i1r s ARG 27 CO 0.00 0.31 0.02 -0.06 0.02 0.00 0.00 175.30 175.59 3i1r s PHE 28 N -0.50 3.13 0.15 -0.53 0.40 -0.67 -4.95 117.98 115.00 3i1r s PHE 28 Ca 0.05 0.12 -0.06 0.00 -0.60 0.00 0.00 56.93 56.43 3i1r s PHE 28 Cb -0.06 -1.69 -0.02 0.00 0.51 0.00 0.00 43.02 41.76 3i1r s PHE 28 CO 0.00 0.48 0.20 -0.48 0.70 0.00 0.00 175.22 176.12 3i1r s LEU 29 N -1.55 1.28 0.76 -0.37 2.34 -1.26 -1.13 118.68 118.74 3i1r s LEU 29 Ca 0.20 -0.95 -0.11 0.00 0.06 0.00 0.00 54.13 53.33 3i1r s LEU 29 Cb -0.12 0.89 0.05 0.00 -0.56 0.00 0.00 46.19 46.45 3i1r s LEU 29 CO 0.10 -0.82 1.08 -2.84 -1.06 0.00 0.00 176.35 172.81 3i1r s PRO 30 N -3.98 2.38 -1.18 1.48 0.02 -1.26 -4.96 135.00 127.50 3i1r s PRO 30 Ca 0.18 1.10 -0.11 0.00 0.02 0.00 0.00 61.00 62.19 3i1r s PRO 30 Cb 0.05 -1.92 0.22 0.00 0.02 0.00 0.00 34.50 32.87 3i1r s PRO 30 CO -0.01 -1.54 1.41 -1.71 -0.33 0.00 0.00 177.00 174.83 3i1r n ASN 31 N -3.44 5.40 -4.28 2.53 2.85 -1.26 -5.02 115.26 112.04 3i1r n ASN 31 Ca 0.09 -3.05 -0.29 0.00 -0.11 0.00 0.00 54.58 51.21 3i1r n ASN 31 Cb 0.53 -1.48 0.17 0.00 1.24 0.00 0.00 39.78 40.24 3i1r n ASN 31 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3i1r s LEU 32 N 0.10 2.72 0.00 1.20 1.02 -1.26 -2.27 118.68 120.18 3i1r s LEU 32 Ca 0.38 0.26 0.00 0.00 0.02 0.00 0.00 54.13 54.79 3i1r s LEU 32 Cb -0.03 -2.39 0.00 0.00 0.02 0.00 0.00 46.19 43.80 3i1r s LEU 32 CO -0.01 -2.55 0.00 1.41 0.02 0.00 0.00 176.35 175.22 3i1r n HIS 33 N -3.62 0.00 -2.99 0.29 8.25 0.26 -4.83 115.22 112.59 3i1r n HIS 33 Ca 0.14 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.60 3i1r n HIS 33 Cb 0.60 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.70 3i1r n HIS 33 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3i1r n SER 34 N 0.00 -6.58 -4.65 0.41 3.41 -1.23 -4.76 113.62 100.23 3i1r n SER 34 Ca 0.00 0.86 -0.27 0.00 -0.26 0.00 0.00 58.87 59.20 3i1r n SER 34 Cb 0.00 -2.94 -0.08 0.00 -0.26 0.00 0.00 64.21 60.93 3i1r n SER 34 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3i1r s HIS 35 N -0.99 2.82 -0.50 7.33 5.04 0.32 -4.84 115.29 124.47 3i1r s HIS 35 Ca -0.03 -0.14 -0.17 0.00 -1.54 0.00 0.00 55.06 53.18 3i1r s HIS 35 Cb 0.00 -1.37 0.07 0.00 0.04 0.00 0.00 32.58 31.32 3i1r s HIS 35 CO 0.29 0.51 0.52 0.50 -2.34 0.00 0.00 174.74 174.22 3i1r s ARG 36 N -2.88 3.04 -0.02 2.88 3.52 -1.26 -1.63 118.95 122.60 3i1r s ARG 36 Ca 0.27 -1.21 -0.10 0.00 -0.13 0.00 0.00 55.73 54.56 3i1r s ARG 36 Cb -0.09 -4.15 -0.05 0.00 -1.56 0.00 0.00 34.95 29.10 3i1r s ARG 36 CO 0.18 -1.17 0.29 -0.06 -0.81 0.00 0.00 175.30 173.73 3i1r s PHE 37 N 2.10 3.63 0.26 5.12 0.08 -0.23 -4.97 117.98 123.97 3i1r s PHE 37 Ca 0.09 0.73 -0.14 0.00 0.12 0.00 0.00 56.93 57.72 3i1r s PHE 37 Cb -0.23 -2.09 -0.08 0.00 -0.57 0.00 0.00 43.02 40.05 3i1r s PHE 37 CO 0.08 0.65 0.65 -0.46 -0.10 0.00 0.00 175.22 176.04 3i1r s TRP 38 N -1.17 3.45 -0.05 0.36 -0.11 -1.26 -2.67 118.94 117.49 3i1r s TRP 38 Ca 0.24 1.11 0.00 0.00 1.22 0.00 0.00 56.10 58.67 3i1r s TRP 38 Cb -0.14 -2.44 -0.03 0.00 -1.50 0.00 0.00 33.47 29.36 3i1r s TRP 38 CO 0.12 0.22 -0.05 1.33 -4.62 0.00 0.00 176.95 173.95 3i1r n VAL 39 N -0.02 0.31 0.00 5.86 0.24 -1.12 -4.97 118.33 118.64 3i1r n VAL 39 Ca 0.01 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 3i1r n VAL 39 Cb 0.52 -0.77 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 3i1r n VAL 39 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3i1r n GLU 40 N -2.71 0.00 0.03 7.34 2.13 -1.26 -4.30 120.64 121.86 3i1r n GLU 40 Ca -0.10 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.79 3i1r n GLU 40 Cb 0.60 -0.40 0.31 0.00 0.27 0.00 0.00 31.44 32.22 3i1r n GLU 40 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3i1r n SER 41 N 0.38 0.13 0.00 4.31 2.88 -1.26 -2.73 113.62 117.33 3i1r n SER 41 Ca 0.00 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 3i1r n SER 41 Cb 0.00 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 3i1r n SER 41 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3i1r n GLU 42 N -1.65 -0.03 -3.58 -1.46 1.02 -1.26 -5.05 120.64 108.63 3i1r n GLU 42 Ca 0.03 -0.12 -0.28 0.00 -0.02 0.00 0.00 57.16 56.77 3i1r n GLU 42 Cb 0.15 -0.54 0.02 0.00 -0.02 0.00 0.00 31.44 31.05 3i1r n GLU 42 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3i1r n LYS 43 N -0.01 -1.73 -3.61 3.49 4.01 -1.11 -4.95 118.16 114.26 3i1r n LYS 43 Ca 0.00 1.15 -0.02 0.00 -0.51 0.00 0.00 58.31 58.93 3i1r n LYS 43 Cb 0.27 -2.61 -0.01 0.00 -0.51 0.00 0.00 35.03 32.16 3i1r n LYS 43 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 3i1r s ARG 44 N -3.70 0.36 -0.74 1.97 3.52 -1.26 -4.95 118.95 114.15 3i1r s ARG 44 Ca 0.17 -0.16 -0.05 0.00 -0.13 0.00 0.00 55.73 55.55 3i1r s ARG 44 Cb -0.02 0.14 0.19 0.00 -1.56 0.00 0.00 34.95 33.71 3i1r s ARG 44 CO 0.87 -0.16 0.61 -0.06 -0.81 0.00 0.00 175.30 175.75 3i1r s PHE 45 N -2.44 3.61 0.04 5.12 2.99 -1.26 -2.78 117.98 123.26 3i1r s PHE 45 Ca 0.11 -2.62 -0.30 0.00 0.00 0.00 0.00 56.93 54.12 3i1r s PHE 45 Cb 0.01 -3.37 -0.06 0.00 0.00 0.00 0.00 43.02 39.60 3i1r s PHE 45 CO -0.04 -0.86 1.31 0.14 -0.00 0.00 0.00 175.22 175.77 3i1r s VAL 46 N -0.32 3.80 -0.52 -0.44 -7.23 -1.09 -4.81 120.40 109.78 3i1r s VAL 46 Ca 0.20 1.24 0.00 0.00 -1.81 0.00 0.00 61.98 61.61 3i1r s VAL 46 Cb -0.15 -3.80 0.14 0.00 0.56 0.00 0.00 36.38 33.13 3i1r s VAL 46 CO -0.06 0.05 0.30 0.28 -0.31 0.00 0.00 175.10 175.36 3i1r s THR 47 N 1.64 3.12 0.39 5.32 -1.32 -1.26 -1.07 115.64 122.46 3i1r s THR 47 Ca 0.61 -2.85 -0.12 0.00 -1.21 0.00 0.00 61.69 58.12 3i1r s THR 47 Cb -0.31 -3.11 -0.07 0.00 -1.51 0.00 0.00 72.50 67.49 3i1r s THR 47 CO 0.28 -0.79 0.78 -0.76 -2.21 0.00 0.00 174.62 171.91 3i1r s LEU 48 N 0.17 3.87 -0.58 9.08 1.43 -0.64 -4.77 118.68 127.24 3i1r s LEU 48 Ca 0.15 1.20 -0.20 0.00 -1.03 0.00 0.00 54.13 54.25 3i1r s LEU 48 Cb -0.22 -4.06 0.08 0.00 0.03 0.00 0.00 46.19 42.02 3i1r s LEU 48 CO -0.03 -0.36 0.76 -0.60 0.23 0.00 0.00 176.35 176.34 3i1r s ARG 49 N -3.65 3.09 0.22 1.70 3.52 -1.26 0.12 118.95 122.69 3i1r s ARG 49 Ca 0.52 -1.05 0.11 0.00 -0.13 0.00 0.00 55.73 55.19 3i1r s ARG 49 Cb -0.10 -4.21 -0.05 0.00 -1.56 0.00 0.00 34.95 29.04 3i1r s ARG 49 CO 0.28 -1.52 -0.22 0.08 -0.81 0.00 0.00 175.30 173.11 3i1r s VAL 50 N 3.05 2.45 0.05 7.11 1.01 -1.26 -2.45 120.40 130.36 3i1r s VAL 50 Ca 0.16 -2.11 -0.12 0.00 0.00 0.00 0.00 61.98 59.91 3i1r s VAL 50 Cb -0.21 -2.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.91 3i1r s VAL 50 CO 0.09 -0.19 0.41 -0.94 0.00 0.00 0.00 175.10 174.46 3i1r s SER 51 N -2.92 6.72 0.74 3.32 1.04 -1.26 0.93 113.70 122.27 3i1r s SER 51 Ca 0.24 0.87 -0.15 0.00 0.48 0.00 0.00 55.95 57.39 3i1r s SER 51 Cb -0.07 -2.21 0.03 0.00 0.10 0.00 0.00 66.02 63.86 3i1r s SER 51 CO 0.12 0.24 1.09 0.00 0.98 0.00 0.00 173.24 175.66 3i1r n ALA 52 N 1.31 0.02 0.00 5.32 0.00 -0.96 0.49 120.51 126.69 3i1r n ALA 52 Ca -0.11 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3i1r n ALA 52 Cb 0.52 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.79 3i1r n ALA 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i1r n LYS 53 N -2.31 0.00 -0.15 0.00 0.00 -1.26 -4.50 118.16 109.95 3i1r n LYS 53 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.41 3i1r n LYS 53 Cb 0.50 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.58 3i1r n LYS 53 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 3i1r h GLY 54 N 0.00 0.60 -0.02 3.14 0.00 -0.35 1.01 103.07 107.44 3i1r h GLY 54 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.27 3i1r h GLY 54 CO 0.00 0.01 -0.46 -0.33 0.00 0.00 0.00 176.54 175.76 3i1r h MET 55 N 0.32 -0.54 -0.28 4.80 2.86 -0.80 -1.28 114.93 120.01 3i1r h MET 55 Ca 0.22 0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.98 3i1r h MET 55 Cb 0.23 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 3i1r h MET 55 CO -0.23 -0.36 0.47 0.00 1.06 0.00 0.00 176.91 177.85 3i1r h ARG 56 N -0.56 0.00 0.04 1.72 3.08 -0.83 0.33 114.38 118.15 3i1r h ARG 56 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3i1r h ARG 56 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3i1r h ARG 56 CO -0.32 0.00 -0.02 0.28 -1.07 0.00 0.00 179.97 178.84 3i1r h VAL 57 N 0.00 1.20 -0.48 2.04 2.07 0.17 -3.19 116.25 118.07 3i1r h VAL 57 Ca 0.13 -1.67 0.10 0.00 0.82 0.00 0.00 66.70 66.08 3i1r h VAL 57 Cb 1.07 2.17 -0.10 0.00 -1.52 0.00 0.00 31.29 32.91 3i1r h VAL 57 CO -0.00 0.37 -0.22 0.40 0.02 0.00 0.00 177.57 178.14 3i1r h ILE 58 N -0.91 0.35 0.00 4.57 5.03 0.69 0.48 117.51 127.71 3i1r h ILE 58 Ca -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.73 3i1r h ILE 58 Cb 0.65 0.35 0.00 0.00 -3.03 0.00 0.00 36.82 34.79 3i1r h ILE 58 CO 0.01 0.00 0.48 0.44 -0.68 0.00 0.00 178.15 178.40 3i1r h ASP 59 N -0.12 0.00 0.00 1.72 5.19 -1.20 -0.69 116.42 121.32 3i1r h ASP 59 Ca 0.22 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 3i1r h ASP 59 Cb 0.47 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.98 3i1r h ASP 59 CO -0.55 0.00 -0.08 1.17 -3.12 0.00 0.00 179.24 176.65 3i1r n LYS 60 N -2.74 0.04 0.01 3.56 4.81 0.15 -4.72 118.16 119.28 3i1r n LYS 60 Ca -0.01 0.02 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 3i1r n LYS 60 Cb 0.51 -0.46 0.57 0.00 0.02 0.00 0.00 35.03 35.67 3i1r n LYS 60 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3i1r h LYS 61 N -0.08 0.22 0.00 1.64 1.57 -1.00 -3.48 116.57 115.44 3i1r h LYS 61 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3i1r h LYS 61 Cb 0.08 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3i1r h LYS 61 CO 0.00 0.15 0.00 0.41 -0.57 0.00 0.00 179.45 179.44 3i1r n GLY 62 N -1.55 2.16 0.32 3.86 0.00 -0.27 -4.60 105.19 105.12 3i1r n GLY 62 Ca 0.07 -1.45 0.02 0.00 0.00 0.00 0.00 46.02 44.66 3i1r n GLY 62 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i1r h ILE 63 N 0.00 0.98 -0.08 -0.61 2.04 -1.93 0.26 117.51 118.17 3i1r h ILE 63 Ca 0.00 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.57 3i1r h ILE 63 Cb 0.00 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.06 3i1r h ILE 63 CO 0.00 0.17 0.06 0.44 0.00 0.00 0.00 178.15 178.82 3i1r h ASP 64 N 0.92 0.00 0.16 1.72 3.32 -1.93 0.32 116.42 120.93 3i1r h ASP 64 Ca 0.40 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 57.14 3i1r h ASP 64 Cb 0.28 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.84 3i1r h ASP 64 CO -0.21 0.00 -1.50 0.74 -1.72 0.00 0.00 179.24 176.54 3i1r h THR 65 N 0.00 1.06 0.07 0.35 2.02 -0.80 -1.70 112.91 113.91 3i1r h THR 65 Ca 0.04 -2.49 -0.00 0.00 0.77 0.00 0.00 66.41 64.72 3i1r h THR 65 Cb 0.16 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 3i1r h THR 65 CO -0.00 0.78 -0.03 0.58 0.37 0.00 0.00 175.52 177.22 3i1r h VAL 66 N -0.09 1.05 0.00 3.16 2.07 -0.75 -0.66 116.25 121.03 3i1r h VAL 66 Ca -0.30 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 3i1r h VAL 66 Cb 1.93 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 33.00 3i1r h VAL 66 CO 0.14 0.09 -0.01 -0.07 0.02 0.00 0.00 177.57 177.75 3i1r h LEU 67 N -0.26 0.00 -0.26 2.57 3.38 -0.47 0.15 115.31 120.42 3i1r h LEU 67 Ca -0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3i1r h LEU 67 Cb 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3i1r h LEU 67 CO 0.01 0.01 0.11 0.00 0.09 0.00 0.00 178.44 178.67 3i1r h ALA 68 N 1.99 0.30 -3.11 1.53 0.00 -0.16 -3.04 119.26 116.77 3i1r h ALA 68 Ca -0.00 0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.59 3i1r h ALA 68 Cb 0.03 -0.02 0.18 0.00 0.00 0.00 0.00 17.79 17.98 3i1r h ALA 68 CO 0.00 -0.29 -0.06 0.39 0.00 0.00 0.00 179.25 179.30 3i1r n GLU 69 N -5.00 -3.94 0.00 0.00 1.02 0.52 -1.06 120.64 112.18 3i1r n GLU 69 Ca -0.02 -1.39 0.00 0.00 -0.02 0.00 0.00 57.16 55.74 3i1r n GLU 69 Cb 0.07 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 3i1r n GLU 69 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i1r n LEU 70 N 0.00 0.00 -0.11 -4.62 4.77 -1.26 -3.84 117.00 111.94 3i1r n LEU 70 Ca 0.13 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 3i1r n LEU 70 Cb 0.53 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 3i1r n LEU 70 CO 0.35 0.00 0.57 -0.09 -1.33 0.00 0.00 177.39 176.90 3i1r h ARG 71 N 0.00 -0.34 0.00 3.23 9.65 -1.55 1.46 114.38 126.83 3i1r h ARG 71 Ca 0.00 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 3i1r h ARG 71 Cb 0.00 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 3i1r h ARG 71 CO 0.00 -0.22 0.00 0.00 2.80 0.00 0.00 179.97 182.55 3i1r n ALA 72 N -3.05 2.03 -0.04 2.80 0.00 -0.22 -2.56 120.51 119.47 3i1r n ALA 72 Ca -0.01 -0.09 0.03 0.00 0.00 0.00 0.00 53.44 53.37 3i1r n ALA 72 Cb 0.35 -1.34 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 3i1r n ALA 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i1r n ARG 73 N -1.40 0.79 0.00 0.00 0.63 0.48 -5.01 116.66 112.15 3i1r n ARG 73 Ca 0.08 -0.11 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 3i1r n ARG 73 Cb 0.21 -1.44 0.00 0.00 0.45 0.00 0.00 32.46 31.67 3i1r n ARG 73 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i1r n GLY 74 N 1.62 1.89 3.25 5.14 0.00 0.47 -4.95 105.19 112.61 3i1r n GLY 74 Ca -0.12 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 3i1r n GLY 74 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i1r n GLU 75 N 0.00 -0.15 0.00 1.61 1.02 -0.38 -4.86 120.64 117.88 3i1r n GLU 75 Ca 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3i1r n GLU 75 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 3i1r n GLU 75 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3i1r n LYS 76 N 0.07 0.00 -0.40 3.49 2.85 -1.26 -4.29 118.16 118.62 3i1r n LYS 76 Ca 0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 3i1r n LYS 76 Cb 0.54 -0.54 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3i1r n LYS 76 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83