#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 n GLY 7 N 0.00 1.08 3.91 -0.02 0.00 -1.26 -5.11 105.19 103.79 3i20 n GLY 7 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3i20 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i20 s SER 8 N -2.00 5.82 0.00 1.61 0.01 -1.26 -4.98 113.70 112.90 3i20 s SER 8 Ca 0.00 0.88 0.00 0.00 1.31 0.00 0.00 55.95 58.14 3i20 s SER 8 Cb 0.00 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.29 3i20 s SER 8 CO 0.00 -0.94 0.00 1.07 0.41 0.00 0.00 173.24 173.78 3i20 n THR 9 N -2.55 0.00 -1.36 1.44 5.66 -1.26 -5.18 114.28 111.04 3i20 n THR 9 Ca 0.04 0.00 0.17 0.00 -3.05 0.00 0.00 64.05 61.20 3i20 n THR 9 Cb 0.57 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.26 3i20 n THR 9 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i20 n ARG 10 N 0.00 -3.10 -3.64 1.09 1.74 -1.26 -5.08 116.66 106.41 3i20 n ARG 10 Ca 0.00 2.50 -0.03 0.00 -0.77 0.00 0.00 57.85 59.55 3i20 n ARG 10 Cb 0.00 -3.64 -0.05 0.00 -1.02 0.00 0.00 32.46 27.75 3i20 n ARG 10 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3i20 s ASN 11 N -7.08 -0.08 1.12 0.55 3.84 -1.26 -5.15 114.94 106.89 3i20 s ASN 11 Ca 0.00 0.10 -0.13 0.00 0.21 0.00 0.00 52.86 53.04 3i20 s ASN 11 Cb 0.00 0.08 0.26 0.00 -0.55 0.00 0.00 41.25 41.04 3i20 s ASN 11 CO 0.00 -0.06 1.05 -0.83 -2.79 0.00 0.00 177.10 174.46 3i20 s GLY 12 N -0.84 1.55 0.07 1.21 0.00 -1.26 -5.03 107.32 103.01 3i20 s GLY 12 Ca 0.08 -0.21 0.04 0.00 0.00 0.00 0.00 44.72 44.62 3i20 s GLY 12 CO -0.08 0.49 0.01 -1.60 0.00 0.00 0.00 173.10 171.92 3i20 s ARG 13 N -4.61 2.66 0.00 2.90 3.52 -1.26 -5.03 118.95 117.12 3i20 s ARG 13 Ca 0.68 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 55.51 3i20 s ARG 13 Cb -0.23 -2.60 0.00 0.00 -1.56 0.00 0.00 34.95 30.56 3i20 s ARG 13 CO 0.63 0.56 0.00 -0.25 -0.81 0.00 0.00 175.30 175.43 3i20 n ASP 14 N 0.74 0.00 0.00 -2.12 9.92 -1.26 -4.77 116.55 119.07 3i20 n ASP 14 Ca -0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.15 3i20 n ASP 14 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 3i20 n ASP 14 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 3i20 n SER 15 N 1.56 0.00 0.00 -2.24 2.88 -1.26 -4.96 113.62 109.60 3i20 n SER 15 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3i20 n SER 15 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3i20 n SER 15 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3i20 n GLU 16 N 0.00 0.00 -1.11 -1.46 -0.58 -1.26 -4.99 120.64 111.23 3i20 n GLU 16 Ca 0.00 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 3i20 n GLU 16 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.82 3i20 n GLU 16 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i20 n ALA 17 N 4.62 -3.09 0.00 0.62 0.00 -1.26 -4.98 120.51 116.42 3i20 n ALA 17 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3i20 n ALA 17 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3i20 n ALA 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i20 n LYS 18 N -3.56 0.00 -1.70 0.00 3.00 -1.26 -4.72 118.16 109.92 3i20 n LYS 18 Ca -0.03 0.00 -0.63 0.00 -0.00 0.00 0.00 58.31 57.65 3i20 n LYS 18 Cb 0.58 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.52 3i20 n LYS 18 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3i20 n ARG 19 N 1.39 0.42 -0.11 1.64 1.85 -1.26 -2.66 116.66 117.93 3i20 n ARG 19 Ca 0.00 0.15 -0.13 0.00 -1.00 0.00 0.00 57.85 56.87 3i20 n ARG 19 Cb 0.00 -1.72 -0.13 0.00 -1.05 0.00 0.00 32.46 29.56 3i20 n ARG 19 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3i20 n LEU 20 N 4.09 1.40 -5.00 2.89 4.77 -1.26 -4.80 117.00 119.08 3i20 n LEU 20 Ca 0.28 -0.06 -0.18 0.00 -0.03 0.00 0.00 56.01 56.02 3i20 n LEU 20 Cb 0.03 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 40.98 3i20 n LEU 20 CO 0.83 0.67 0.18 -0.83 -1.33 0.00 0.00 177.39 176.91 3i20 s GLY 21 N -5.78 1.88 -0.10 -0.72 0.00 -1.26 -4.84 107.32 96.50 3i20 s GLY 21 Ca -0.20 -1.57 -0.30 0.00 0.00 0.00 0.00 44.72 42.65 3i20 s GLY 21 CO 0.67 -1.38 0.95 0.54 0.00 0.00 0.00 173.10 173.87 3i20 s VAL 22 N -2.41 0.00 0.00 1.40 0.11 -1.26 -4.44 120.40 113.79 3i20 s VAL 22 Ca 0.54 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.59 3i20 s VAL 22 Cb -0.10 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 3i20 s VAL 22 CO 0.34 0.00 0.00 2.29 -3.33 0.00 0.00 175.10 174.40 3i20 n LYS 23 N 0.41 0.00 -1.16 1.54 -0.00 -1.26 -4.02 118.16 113.67 3i20 n LYS 23 Ca -0.10 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.87 3i20 n LYS 23 Cb 0.59 0.00 0.11 0.00 -0.00 0.00 0.00 35.03 35.73 3i20 n LYS 23 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3i20 n ARG 24 N 0.00 0.23 0.00 -1.58 -4.01 -1.26 -3.34 116.66 106.70 3i20 n ARG 24 Ca 0.00 0.14 0.00 0.00 -1.04 0.00 0.00 57.85 56.95 3i20 n ARG 24 Cb 0.00 -2.24 0.00 0.00 -3.04 0.00 0.00 32.46 27.18 3i20 n ARG 24 CO 0.00 0.00 0.00 0.34 -3.04 0.00 0.00 177.63 174.93 3i20 n PHE 25 N -3.01 0.00 0.00 2.89 -0.00 -1.26 -4.69 117.46 111.40 3i20 n PHE 25 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.57 3i20 n PHE 25 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.98 3i20 n PHE 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i20 n GLY 26 N 0.00 0.00 2.96 7.13 0.00 -1.26 -3.40 105.19 110.61 3i20 n GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i20 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i20 n GLY 27 N -0.93 0.00 2.61 -0.02 0.00 -1.21 -3.60 105.19 102.04 3i20 n GLY 27 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3i20 n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i20 n GLU 28 N 2.48 -1.05 0.17 1.61 4.07 -1.26 -2.46 120.64 124.19 3i20 n GLU 28 Ca 0.00 -1.38 0.11 0.00 -0.06 0.00 0.00 57.16 55.83 3i20 n GLU 28 Cb 0.00 -0.96 0.30 0.00 -0.06 0.00 0.00 31.44 30.72 3i20 n GLU 28 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 3i20 h SER 29 N -1.30 0.00 0.00 4.31 0.02 -1.92 -3.20 113.55 111.45 3i20 h SER 29 Ca -0.29 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.59 3i20 h SER 29 Cb 0.81 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.28 3i20 h SER 29 CO 0.21 0.00 0.21 0.55 -1.14 0.00 0.00 176.83 176.66 3i20 n VAL 30 N -2.85 0.00 -1.23 2.27 3.14 -1.26 -3.46 118.33 114.94 3i20 n VAL 30 Ca 0.07 -0.52 -0.29 0.00 -2.96 0.00 0.00 64.34 60.63 3i20 n VAL 30 Cb 1.02 0.54 0.15 0.00 -1.06 0.00 0.00 33.84 34.49 3i20 n VAL 30 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3i20 s LEU 31 N -1.91 1.98 -0.99 6.55 1.43 -1.21 -4.57 118.68 119.97 3i20 s LEU 31 Ca 0.02 1.32 -0.06 0.00 -1.03 0.00 0.00 54.13 54.37 3i20 s LEU 31 Cb 0.03 -3.64 -0.00 0.00 0.03 0.00 0.00 46.19 42.60 3i20 s LEU 31 CO -0.01 -2.80 2.81 0.00 0.23 0.00 0.00 176.35 176.58 3i20 n ALA 32 N -3.97 6.85 -1.54 4.21 0.00 -1.26 -2.26 120.51 122.53 3i20 n ALA 32 Ca 0.06 -3.36 -0.13 0.00 0.00 0.00 0.00 53.44 50.01 3i20 n ALA 32 Cb 0.56 -2.70 -0.09 0.00 0.00 0.00 0.00 19.45 17.22 3i20 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i20 n GLY 33 N 2.09 -0.27 0.22 0.00 0.00 -1.06 -4.14 105.19 102.03 3i20 n GLY 33 Ca 0.60 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.83 3i20 n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i20 n SER 34 N 17.64 -0.62 -0.05 1.61 2.88 -1.26 -4.52 113.62 129.31 3i20 n SER 34 Ca 0.45 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 58.01 3i20 n SER 34 Cb 0.42 -0.31 -0.01 0.00 -0.75 0.00 0.00 64.21 63.56 3i20 n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i20 n ILE 35 N 2.07 0.00 -1.50 2.46 3.06 -1.09 -2.66 119.36 121.70 3i20 n ILE 35 Ca 0.00 -0.42 -0.19 0.00 -2.50 0.00 0.00 62.75 59.64 3i20 n ILE 35 Cb 0.00 1.03 -0.18 0.00 0.54 0.00 0.00 39.64 41.02 3i20 n ILE 35 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 3i20 n ILE 36 N -0.77 0.00 -0.53 9.51 5.41 -1.26 -4.35 119.36 127.37 3i20 n ILE 36 Ca 0.01 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.27 3i20 n ILE 36 Cb 0.08 -0.51 0.00 0.00 -0.71 0.00 0.00 39.64 38.50 3i20 n ILE 36 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3i20 n VAL 37 N 6.32 0.00 -3.50 1.39 0.31 -1.26 -4.48 118.33 117.12 3i20 n VAL 37 Ca 0.60 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.71 3i20 n VAL 37 Cb 0.23 -1.71 0.05 0.00 -0.91 0.00 0.00 33.84 31.50 3i20 n VAL 37 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i20 n ARG 38 N -0.71 -2.57 0.00 5.55 1.74 -1.26 -4.82 116.66 114.59 3i20 n ARG 38 Ca 0.00 0.67 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 3i20 n ARG 38 Cb 0.00 -5.08 0.00 0.00 -1.02 0.00 0.00 32.46 26.36 3i20 n ARG 38 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3i20 n GLN 39 N -3.82 0.00 -3.39 5.56 7.27 -1.26 -4.86 117.38 116.87 3i20 n GLN 39 Ca -0.13 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.75 3i20 n GLN 39 Cb 0.62 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.22 3i20 n GLN 39 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 3i20 n ARG 40 N -0.89 -0.92 0.00 3.69 0.00 -1.26 -3.99 116.66 113.29 3i20 n ARG 40 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 3i20 n ARG 40 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 32.46 30.27 3i20 n ARG 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i20 n GLY 41 N -1.51 -2.08 0.31 5.14 0.00 -1.26 -4.92 105.19 100.87 3i20 n GLY 41 Ca -0.10 0.69 0.31 0.00 0.00 0.00 0.00 46.02 46.92 3i20 n GLY 41 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i20 n THR 42 N -1.71 -0.41 -4.25 2.61 -1.04 -1.26 -3.86 114.28 104.36 3i20 n THR 42 Ca 0.00 1.97 -0.14 0.00 -2.04 0.00 0.00 64.05 63.84 3i20 n THR 42 Cb 0.00 -3.20 -0.10 0.00 -1.82 0.00 0.00 70.33 65.21 3i20 n THR 42 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3i20 s LYS 43 N -5.48 1.09 0.11 -2.82 -0.14 -1.26 -4.69 119.74 106.54 3i20 s LYS 43 Ca -0.09 -1.48 0.08 0.00 -1.36 0.00 0.00 55.97 53.12 3i20 s LYS 43 Cb 0.33 -0.56 -0.04 0.00 -1.68 0.00 0.00 37.83 35.88 3i20 s LYS 43 CO 0.76 0.03 -0.21 -0.06 -0.76 0.00 0.00 175.35 175.11 3i20 s PHE 44 N -3.39 1.80 -0.33 3.18 0.08 -1.25 -4.34 117.98 113.72 3i20 s PHE 44 Ca 0.19 -0.42 -0.28 0.00 0.12 0.00 0.00 56.93 56.53 3i20 s PHE 44 Cb 0.03 -0.98 -0.02 0.00 -0.57 0.00 0.00 43.02 41.49 3i20 s PHE 44 CO 0.02 0.22 1.79 -3.38 -0.10 0.00 0.00 175.22 173.77 3i20 s HIS 45 N -1.27 1.82 0.00 0.36 -3.43 -1.26 -1.91 115.29 109.60 3i20 s HIS 45 Ca 0.08 0.62 0.00 0.00 -0.80 0.00 0.00 55.06 54.96 3i20 s HIS 45 Cb -0.09 -4.13 0.00 0.00 -1.43 0.00 0.00 32.58 26.92 3i20 s HIS 45 CO 0.05 -2.92 0.00 0.00 -2.00 0.00 0.00 174.74 169.87 3i20 n ALA 46 N 10.26 0.00 -1.00 -1.38 0.00 -0.58 -4.91 120.51 122.90 3i20 n ALA 46 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3i20 n ALA 46 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3i20 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i20 n GLY 47 N 5.00 -2.03 0.49 0.00 0.00 -1.26 -4.01 105.19 103.38 3i20 n GLY 47 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3i20 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i20 n ALA 48 N -3.00 2.00 -3.27 4.61 0.00 -1.26 -4.39 120.51 115.20 3i20 n ALA 48 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3i20 n ALA 48 Cb 0.00 -1.00 -0.16 0.00 0.00 0.00 0.00 19.45 18.29 3i20 n ALA 48 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3i20 s ASN 49 N -0.36 3.39 0.00 0.00 3.84 -1.26 -2.68 114.94 117.87 3i20 s ASN 49 Ca 0.00 -0.50 0.00 0.00 0.21 0.00 0.00 52.86 52.57 3i20 s ASN 49 Cb 0.00 -1.48 0.00 0.00 -0.55 0.00 0.00 41.25 39.22 3i20 s ASN 49 CO 0.00 0.14 0.00 0.52 -2.79 0.00 0.00 177.10 174.97 3i20 n VAL 50 N 3.66 0.00 0.00 -5.21 0.31 -1.18 -1.53 118.33 114.38 3i20 n VAL 50 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3i20 n VAL 50 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 3i20 n VAL 50 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i20 n GLY 51 N 0.00 -0.24 3.15 2.92 0.00 -1.26 -3.34 105.19 106.41 3i20 n GLY 51 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3i20 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i20 s GLY 53 N -2.24 1.58 0.57 0.00 0.00 0.19 -4.53 107.32 102.88 3i20 s GLY 53 Ca 0.27 0.06 0.32 0.00 0.00 0.00 0.00 44.72 45.37 3i20 s GLY 53 CO 0.81 0.72 1.77 0.07 0.00 0.00 0.00 173.10 176.47 3i20 h ARG 54 N -2.53 0.00 -2.22 2.90 -0.00 -1.92 1.06 114.38 111.67 3i20 h ARG 54 Ca -0.58 0.00 -0.80 0.00 -0.00 0.00 0.00 59.98 58.60 3i20 h ARG 54 Cb 1.32 0.00 -0.27 0.00 -0.00 0.00 0.00 29.97 31.02 3i20 h ARG 54 CO 0.48 0.00 1.06 -0.40 -0.00 0.00 0.00 179.97 181.11 3i20 n ASP 55 N -3.86 7.40 -3.57 0.08 5.75 -1.26 -4.89 116.55 116.19 3i20 n ASP 55 Ca 0.19 -3.70 -0.28 0.00 -0.01 0.00 0.00 54.79 50.98 3i20 n ASP 55 Cb 1.06 -1.16 -0.06 0.00 -1.03 0.00 0.00 41.12 39.94 3i20 n ASP 55 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3i20 n HIS 56 N -0.10 -0.79 -4.26 2.11 8.25 0.37 -4.63 115.22 116.16 3i20 n HIS 56 Ca 0.48 0.46 -0.34 0.00 -0.26 0.00 0.00 57.72 58.06 3i20 n HIS 56 Cb 0.26 -1.33 -0.12 0.00 1.12 0.00 0.00 29.99 29.92 3i20 n HIS 56 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3i20 s THR 57 N -2.68 3.93 -0.11 1.59 2.01 -1.22 -4.36 115.64 114.80 3i20 s THR 57 Ca 0.50 -0.33 -0.18 0.00 0.31 0.00 0.00 61.69 61.99 3i20 s THR 57 Cb -0.29 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 3i20 s THR 57 CO 0.69 0.47 0.46 -0.76 -0.69 0.00 0.00 174.62 174.79 3i20 s LEU 58 N 0.61 4.29 -0.01 4.42 2.01 -1.09 -0.64 118.68 128.27 3i20 s LEU 58 Ca -0.02 0.81 -0.06 0.00 0.01 0.00 0.00 54.13 54.88 3i20 s LEU 58 Cb -0.14 -2.67 0.00 0.00 0.01 0.00 0.00 46.19 43.39 3i20 s LEU 58 CO 0.02 0.03 0.12 0.72 1.01 0.00 0.00 176.35 178.25 3i20 s PHE 59 N 0.48 0.02 0.28 0.29 -0.12 -1.21 -2.56 117.98 115.15 3i20 s PHE 59 Ca 0.25 -0.04 -0.30 0.00 -0.05 0.00 0.00 56.93 56.79 3i20 s PHE 59 Cb -0.15 -0.04 -0.13 0.00 -0.63 0.00 0.00 43.02 42.07 3i20 s PHE 59 CO 0.10 -0.21 1.37 0.00 -0.05 0.00 0.00 175.22 176.43 3i20 n ALA 60 N 1.91 1.23 0.85 1.99 0.00 -0.96 -3.10 120.51 122.43 3i20 n ALA 60 Ca -0.20 0.39 0.09 0.00 0.00 0.00 0.00 53.44 53.72 3i20 n ALA 60 Cb 0.56 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 17.72 3i20 n ALA 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i20 n LYS 61 N 1.53 1.38 -3.42 0.00 4.81 -1.09 -4.32 118.16 117.05 3i20 n LYS 61 Ca 0.09 -0.73 0.02 0.00 -0.87 0.00 0.00 58.31 56.82 3i20 n LYS 61 Cb 0.33 -1.37 -0.05 0.00 0.02 0.00 0.00 35.03 33.97 3i20 n LYS 61 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i20 s ALA 62 N -2.28 -2.84 0.33 3.14 0.00 -1.18 -4.97 121.76 113.97 3i20 s ALA 62 Ca 0.14 1.97 -0.27 0.00 0.00 0.00 0.00 51.96 53.80 3i20 s ALA 62 Cb 0.15 -2.07 -0.13 0.00 0.00 0.00 0.00 23.12 21.07 3i20 s ALA 62 CO 0.53 -0.72 0.95 -0.40 0.00 0.00 0.00 175.76 176.12 3i20 n ASP 63 N 4.21 1.02 0.00 0.00 5.75 -1.22 -4.88 116.55 121.42 3i20 n ASP 63 Ca -0.11 1.12 0.00 0.00 -0.01 0.00 0.00 54.79 55.78 3i20 n ASP 63 Cb 0.55 -1.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.36 3i20 n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i20 n GLY 64 N 1.28 -0.92 3.77 6.12 0.00 -1.03 -4.78 105.19 109.63 3i20 n GLY 64 Ca 0.10 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 3i20 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i20 s LYS 65 N -0.95 4.49 1.04 1.61 1.02 -0.52 -3.29 119.74 123.14 3i20 s LYS 65 Ca 0.00 1.06 -0.12 0.00 0.02 0.00 0.00 55.97 56.92 3i20 s LYS 65 Cb 0.00 -3.30 0.21 0.00 -0.52 0.00 0.00 37.83 34.22 3i20 s LYS 65 CO 0.00 0.45 1.07 0.08 -0.92 0.00 0.00 175.35 176.03 3i20 s VAL 66 N -0.65 2.18 0.00 3.17 1.01 -1.21 -0.71 120.40 124.19 3i20 s VAL 66 Ca 0.36 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.40 3i20 s VAL 66 Cb -0.21 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.85 3i20 s VAL 66 CO 0.24 -0.08 0.00 1.17 0.00 0.00 0.00 175.10 176.43 3i20 n LYS 67 N -4.44 0.00 -1.47 2.72 3.00 -1.00 -4.03 118.16 112.94 3i20 n LYS 67 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 3i20 n LYS 67 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.58 3i20 n LYS 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3i20 n PHE 68 N -0.56 0.00 -2.34 5.64 3.72 -1.26 -4.80 117.46 117.85 3i20 n PHE 68 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3i20 n PHE 68 Cb 0.00 -1.47 0.00 0.00 -0.94 0.00 0.00 39.48 37.07 3i20 n PHE 68 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3i20 n GLU 69 N -0.03 3.77 -3.48 -1.08 1.02 0.46 -4.98 120.64 116.31 3i20 n GLU 69 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i20 n GLU 69 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 3i20 n GLU 69 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3i20 s VAL 70 N 1.66 -0.45 0.00 2.62 0.11 -1.17 -4.50 120.40 118.66 3i20 s VAL 70 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 3i20 s VAL 70 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 3i20 s VAL 70 CO 0.00 0.00 0.00 0.29 -3.33 0.00 0.00 175.10 172.06 3i20 n LYS 71 N 4.77 3.09 0.01 1.54 4.01 -1.11 -4.97 118.16 125.50 3i20 n LYS 71 Ca -0.11 0.00 0.11 0.00 -0.51 0.00 0.00 58.31 57.79 3i20 n LYS 71 Cb 0.53 0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 34.98 3i20 n LYS 71 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3i20 n GLY 72 N 5.00 -1.08 2.26 0.72 0.00 -1.26 -2.87 105.19 107.96 3i20 n GLY 72 Ca 0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 46.02 45.51 3i20 n GLY 72 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i20 n PRO 73 N -1.87 0.05 -2.36 1.61 -0.04 -1.26 -4.51 135.00 126.62 3i20 n PRO 73 Ca 0.01 -0.02 -0.00 0.00 -0.04 0.00 0.00 63.50 63.45 3i20 n PRO 73 Cb 0.43 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.39 3i20 n PRO 73 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3i20 n LYS 74 N 2.53 -5.05 0.00 0.54 4.81 -1.26 -4.68 118.16 115.05 3i20 n LYS 74 Ca 0.01 3.66 0.00 0.00 -0.87 0.00 0.00 58.31 61.11 3i20 n LYS 74 Cb 0.02 -4.62 0.00 0.00 0.02 0.00 0.00 35.03 30.46 3i20 n LYS 74 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3i20 n ASN 75 N 1.86 0.00 -0.10 3.14 2.85 -1.14 -4.95 115.26 116.93 3i20 n ASN 75 Ca -0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 3i20 n ASN 75 Cb 0.01 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.03 3i20 n ASN 75 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 3i20 n ARG 76 N 14.00 -0.28 0.00 1.20 0.63 -1.26 -3.23 116.66 127.72 3i20 n ARG 76 Ca 0.00 0.20 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 3i20 n ARG 76 Cb 0.00 -0.22 0.00 0.00 0.45 0.00 0.00 32.46 32.69 3i20 n ARG 76 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3i20 n LYS 77 N -0.46 0.00 -0.38 -0.14 4.01 -1.26 -2.74 118.16 117.18 3i20 n LYS 77 Ca 0.00 0.09 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 3i20 n LYS 77 Cb 0.00 -0.70 0.00 0.00 -0.51 0.00 0.00 35.03 33.82 3i20 n LYS 77 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 3i20 n PHE 78 N -0.76 -0.33 -4.19 2.13 3.72 -1.25 -3.06 117.46 113.72 3i20 n PHE 78 Ca 0.00 0.19 -0.29 0.00 -0.05 0.00 0.00 57.45 57.30 3i20 n PHE 78 Cb 0.00 -1.90 -0.17 0.00 -0.94 0.00 0.00 39.48 36.47 3i20 n PHE 78 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3i20 s ILE 79 N -0.51 1.43 0.00 4.37 1.01 -0.80 -0.41 121.20 126.29 3i20 s ILE 79 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.08 3i20 s ILE 79 Cb 0.00 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 41.13 3i20 s ILE 79 CO 0.00 0.43 0.00 -1.54 0.00 0.00 0.00 174.94 173.83 3i20 n SER 80 N 4.54 1.56 -3.66 3.58 3.41 -1.26 -2.96 113.62 118.83 3i20 n SER 80 Ca -0.17 -0.18 -0.18 0.00 -0.26 0.00 0.00 58.87 58.07 3i20 n SER 80 Cb 0.51 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.29 3i20 n SER 80 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3i20 s ILE 81 N 0.89 -0.22 0.77 -1.33 1.01 -1.26 -2.38 121.20 118.69 3i20 s ILE 81 Ca 0.00 0.34 -0.10 0.00 0.00 0.00 0.00 60.65 60.88 3i20 s ILE 81 Cb 0.00 -0.28 0.07 0.00 0.01 0.00 0.00 42.46 42.26 3i20 s ILE 81 CO 0.00 0.13 1.13 -1.61 0.00 0.00 0.00 174.94 174.59 3i20 s GLU 82 N 2.26 2.08 0.29 2.79 2.02 0.11 -4.05 118.70 124.20 3i20 s GLU 82 Ca 0.04 0.03 -0.02 0.00 0.02 0.00 0.00 54.97 55.04 3i20 s GLU 82 Cb -0.12 -2.02 -0.04 0.00 0.10 0.00 0.00 34.13 32.05 3i20 s GLU 82 CO -0.05 -1.46 0.52 0.00 0.02 0.00 0.00 175.26 174.28 3i20 s ALA 83 N -3.47 3.69 0.00 5.21 0.00 -1.26 -1.43 121.76 124.49 3i20 s ALA 83 Ca 0.61 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.85 3i20 s ALA 83 Cb -0.11 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.83 3i20 s ALA 83 CO 0.48 0.20 0.14 -0.85 0.00 0.00 0.00 175.76 175.73