#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hi2 s LYS 3 N 0.00 0.56 -0.06 5.31 3.01 -0.37 -4.99 119.74 123.20 3hi2 s LYS 3 Ca 0.00 -0.86 0.17 0.00 -1.01 0.00 0.00 55.97 54.27 3hi2 s LYS 3 Cb 0.00 -0.21 0.55 0.00 -1.01 0.00 0.00 37.83 37.16 3hi2 s LYS 3 CO 0.00 0.02 1.47 2.89 0.51 0.00 0.00 175.35 180.24 3hi2 n ARG 4 N 1.17 3.15 -4.35 1.68 0.00 -1.26 -0.99 116.66 116.05 3hi2 n ARG 4 Ca -0.21 -2.58 -0.22 0.00 -0.00 0.00 0.00 57.85 54.84 3hi2 n ARG 4 Cb 0.56 -1.62 -0.13 0.00 -0.00 0.00 0.00 32.46 31.27 3hi2 n ARG 4 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3hi2 s THR 5 N -1.50 1.49 0.48 8.89 -4.23 -1.26 -4.97 115.64 114.54 3hi2 s THR 5 Ca 0.41 -1.34 -0.23 0.00 -1.18 0.00 0.00 61.69 59.35 3hi2 s THR 5 Cb 0.25 -1.35 -0.07 0.00 1.34 0.00 0.00 72.50 72.67 3hi2 s THR 5 CO 0.22 -0.03 1.30 -2.84 -0.54 0.00 0.00 174.62 172.73 3hi2 s PRO 6 N -1.60 3.53 0.10 3.99 0.02 -1.26 -4.62 135.00 135.16 3hi2 s PRO 6 Ca 0.04 2.10 -0.15 0.00 0.02 0.00 0.00 61.00 63.02 3hi2 s PRO 6 Cb -0.09 -2.44 -0.09 0.00 0.02 0.00 0.00 34.50 31.90 3hi2 s PRO 6 CO 0.03 -0.83 1.41 1.25 -0.33 0.00 0.00 177.00 178.53 3hi2 h HIS 7 N 1.95 0.84 -3.32 6.54 2.76 -1.96 -3.43 115.15 118.53 3hi2 h HIS 7 Ca -0.50 -0.26 -0.64 0.00 -2.20 0.00 0.00 60.37 56.77 3hi2 h HIS 7 Cb 1.27 -0.18 -0.23 0.00 1.55 0.00 0.00 27.41 29.83 3hi2 h HIS 7 CO 0.50 1.00 -0.69 0.99 -1.30 0.00 0.00 177.93 178.43 3hi2 s THR 8 N -4.34 3.69 0.34 6.26 2.01 -1.26 -5.08 115.64 117.26 3hi2 s THR 8 Ca -0.12 -0.44 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 3hi2 s THR 8 Cb 0.09 -2.60 -0.12 0.00 0.01 0.00 0.00 72.50 69.88 3hi2 s THR 8 CO 0.83 0.51 1.45 0.54 -0.69 0.00 0.00 174.62 177.25 3hi2 n ARG 9 N 3.46 2.49 -0.33 4.92 1.74 -1.26 -4.83 116.66 122.84 3hi2 n ARG 9 Ca -0.18 0.88 -0.03 0.00 -0.77 0.00 0.00 57.85 57.75 3hi2 n ARG 9 Cb 0.53 -2.57 0.11 0.00 -1.02 0.00 0.00 32.46 29.50 3hi2 n ARG 9 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3hi2 h LEU 10 N 3.24 1.11 -0.76 0.55 5.85 -1.98 -1.06 115.31 122.26 3hi2 h LEU 10 Ca -0.48 -0.08 0.17 0.00 0.84 0.00 0.00 57.88 58.33 3hi2 h LEU 10 Cb 1.25 -0.28 -0.13 0.00 0.37 0.00 0.00 40.66 41.87 3hi2 h LEU 10 CO 0.67 0.87 -0.02 0.28 -0.34 0.00 0.00 178.44 179.89 3hi2 h SER 11 N 1.26 -0.41 -0.27 1.25 0.02 -1.99 0.27 113.55 113.68 3hi2 h SER 11 Ca 0.32 0.20 -0.17 0.00 -0.84 0.00 0.00 61.79 61.31 3hi2 h SER 11 Cb -0.02 0.37 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3hi2 h SER 11 CO -0.06 -0.20 -0.49 -0.61 -1.14 0.00 0.00 176.83 174.34 3hi2 h GLN 12 N 0.08 0.81 -0.27 3.45 5.75 -1.59 -0.15 115.11 123.19 3hi2 h GLN 12 Ca 0.41 -0.51 0.04 0.00 -0.15 0.00 0.00 58.65 58.45 3hi2 h GLN 12 Cb 0.72 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.29 3hi2 h GLN 12 CO -0.69 1.14 0.02 0.28 -2.65 0.00 0.00 178.83 176.93 3hi2 h VAL 13 N 0.57 0.83 -0.62 2.39 2.07 -0.84 -0.32 116.25 120.33 3hi2 h VAL 13 Ca 0.02 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 3hi2 h VAL 13 Cb 1.09 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3hi2 h VAL 13 CO 0.11 0.02 0.24 0.11 0.02 0.00 0.00 177.57 178.07 3hi2 h LYS 14 N 0.11 0.93 -0.65 1.57 1.57 -0.84 -1.13 116.57 118.13 3hi2 h LYS 14 Ca 0.13 -0.17 0.13 0.00 -1.87 0.00 0.00 60.65 58.86 3hi2 h LYS 14 Cb 0.16 -0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.23 3hi2 h LYS 14 CO -0.20 0.79 0.16 0.87 -0.57 0.00 0.00 179.45 180.50 3hi2 h LYS 15 N 0.87 0.28 -0.44 3.15 1.57 -0.69 0.23 116.57 121.53 3hi2 h LYS 15 Ca 0.21 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.87 3hi2 h LYS 15 Cb 0.22 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3hi2 h LYS 15 CO -0.02 0.18 -0.12 -0.07 -0.57 0.00 0.00 179.45 178.86 3hi2 h LEU 16 N 0.29 0.87 0.12 2.94 3.38 -0.57 0.03 115.31 122.37 3hi2 h LEU 16 Ca 0.35 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3hi2 h LEU 16 Cb 0.53 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3hi2 h LEU 16 CO -0.43 1.03 -0.06 0.58 0.09 0.00 0.00 178.44 179.66 3hi2 h VAL 17 N 0.69 0.91 0.00 1.22 2.07 -0.72 -1.37 116.25 119.06 3hi2 h VAL 17 Ca 0.11 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3hi2 h VAL 17 Cb 0.66 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3hi2 h VAL 17 CO 0.05 0.02 -0.05 0.78 0.02 0.00 0.00 177.57 178.39 3hi2 h ASN 18 N -0.20 0.00 0.39 0.57 2.35 -0.38 0.15 115.58 118.46 3hi2 h ASN 18 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3hi2 h ASN 18 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3hi2 h ASN 18 CO 0.03 0.05 -0.09 0.00 -1.65 0.00 0.00 177.43 175.77 3hi2 n ALA 19 N -2.20 2.71 -1.02 -0.83 0.00 -0.02 -4.92 120.51 114.24 3hi2 n ALA 19 Ca -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 53.44 53.17 3hi2 n ALA 19 Cb 0.18 -1.37 -0.00 0.00 0.00 0.00 0.00 19.45 18.26 3hi2 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hi2 n GLY 20 N 1.28 0.46 2.73 0.00 0.00 0.52 -4.93 105.19 105.23 3hi2 n GLY 20 Ca 0.15 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3hi2 n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hi2 n GLN 21 N -2.45 4.53 -4.27 1.61 6.02 -0.54 -4.89 117.38 117.38 3hi2 n GLN 21 Ca -0.01 -4.00 -0.18 0.00 -0.01 0.00 0.00 57.00 52.81 3hi2 n GLN 21 Cb 0.09 -2.64 -0.14 0.00 1.02 0.00 0.00 30.24 28.57 3hi2 n GLN 21 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hi2 s VAL 22 N -1.86 0.75 0.07 5.09 1.01 -1.26 -1.28 120.40 122.92 3hi2 s VAL 22 Ca 0.42 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 3hi2 s VAL 22 Cb 0.13 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 3hi2 s VAL 22 CO -0.03 0.02 -0.04 -0.13 0.00 0.00 0.00 175.10 174.92 3hi2 s ARG 23 N -0.74 0.70 0.04 2.72 1.81 0.93 -4.90 118.95 119.51 3hi2 s ARG 23 Ca 0.00 -1.27 0.00 0.00 -1.72 0.00 0.00 55.73 52.75 3hi2 s ARG 23 Cb -0.06 0.07 -0.03 0.00 -0.45 0.00 0.00 34.95 34.48 3hi2 s ARG 23 CO 0.00 -0.08 -0.04 -0.08 -0.68 0.00 0.00 175.30 174.41 3hi2 s THR 24 N -3.82 0.31 0.65 0.02 -1.32 -1.26 -1.36 115.64 108.85 3hi2 s THR 24 Ca 0.09 -1.37 -0.13 0.00 -1.21 0.00 0.00 61.69 59.08 3hi2 s THR 24 Cb 0.07 -0.92 -0.01 0.00 -1.51 0.00 0.00 72.50 70.13 3hi2 s THR 24 CO -0.08 -0.69 1.05 0.42 -2.21 0.00 0.00 174.62 173.12 3hi2 s THR 25 N -2.52 4.00 0.17 5.08 -4.23 -1.25 -4.95 115.64 111.95 3hi2 s THR 25 Ca -0.04 0.77 -0.14 0.00 -1.18 0.00 0.00 61.69 61.09 3hi2 s THR 25 Cb -0.02 -3.43 0.06 0.00 1.34 0.00 0.00 72.50 70.45 3hi2 s THR 25 CO -0.04 -0.74 1.83 -0.09 -0.54 0.00 0.00 174.62 175.05 3hi2 h ARG 26 N -0.21 0.67 -0.76 3.99 2.43 -1.99 -1.78 114.38 116.72 3hi2 h ARG 26 Ca -0.45 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.64 3hi2 h ARG 26 Cb 1.21 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.58 3hi2 h ARG 26 CO 0.57 0.45 0.34 0.66 -1.51 0.00 0.00 179.97 180.48 3hi2 h SER 27 N 0.69 1.01 -0.27 -3.80 4.64 -2.00 -1.92 113.55 111.91 3hi2 h SER 27 Ca 0.19 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 3hi2 h SER 27 Cb -0.08 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.74 3hi2 h SER 27 CO -0.04 0.87 -0.09 0.00 -0.87 0.00 0.00 176.83 176.71 3hi2 h ALA 28 N 1.28 1.14 -0.39 5.18 0.00 -1.87 -0.81 119.26 123.79 3hi2 h ALA 28 Ca 0.26 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hi2 h ALA 28 Cb 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hi2 h ALA 28 CO -0.03 0.55 0.19 1.25 0.00 0.00 0.00 179.25 181.21 3hi2 h LEU 29 N 0.60 0.50 -0.79 0.00 5.85 -0.85 0.15 115.31 120.77 3hi2 h LEU 29 Ca 0.11 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 3hi2 h LEU 29 Cb 0.51 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3hi2 h LEU 29 CO 0.03 0.47 0.14 -0.07 -0.34 0.00 0.00 178.44 178.67 3hi2 h LEU 30 N 0.49 0.99 -0.47 2.25 3.38 -1.10 -1.38 115.31 119.47 3hi2 h LEU 30 Ca 0.13 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3hi2 h LEU 30 Cb 0.10 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3hi2 h LEU 30 CO -0.02 0.97 0.11 0.78 0.09 0.00 0.00 178.44 180.37 3hi2 h ASN 31 N 0.99 0.71 -0.75 -0.43 2.35 -0.85 -2.59 115.58 115.02 3hi2 h ASN 31 Ca 0.21 -0.23 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3hi2 h ASN 31 Cb 0.38 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 3hi2 h ASN 31 CO 0.00 0.76 0.36 0.00 -1.65 0.00 0.00 177.43 176.90 3hi2 h ALA 32 N 0.98 0.96 -0.85 -0.83 0.00 -0.60 -2.46 119.26 116.47 3hi2 h ALA 32 Ca 0.15 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3hi2 h ALA 32 Cb 0.32 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3hi2 h ALA 32 CO 0.00 0.52 0.55 0.22 0.00 0.00 0.00 179.25 180.55 3hi2 h ASP 33 N 1.05 0.78 -0.73 0.00 3.58 -1.00 0.16 116.42 120.26 3hi2 h ASP 33 Ca 0.26 0.01 0.19 0.00 0.42 0.00 0.00 57.03 57.91 3hi2 h ASP 33 Cb 0.12 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 40.98 3hi2 h ASP 33 CO -0.03 0.48 0.51 -0.33 -2.88 0.00 0.00 179.24 176.99 3hi2 h GLU 34 N 0.88 0.15 -0.65 0.28 4.39 -1.04 -2.15 114.58 116.45 3hi2 h GLU 34 Ca 0.38 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.07 3hi2 h GLU 34 Cb 0.32 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3hi2 h GLU 34 CO -0.15 0.10 0.00 1.28 -1.16 0.00 0.00 179.01 179.09 3hi2 n LEU 35 N -4.39 3.60 -0.08 1.33 4.77 0.44 -4.92 117.00 117.75 3hi2 n LEU 35 Ca 0.14 -1.77 -0.01 0.00 -0.03 0.00 0.00 56.01 54.34 3hi2 n LEU 35 Cb 0.69 -0.43 -0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3hi2 n LEU 35 CO 0.35 0.89 -0.01 0.61 -1.33 0.00 0.00 177.39 177.90 3hi2 n GLY 36 N 1.57 0.40 3.24 -0.72 0.00 -0.81 -4.88 105.19 103.99 3hi2 n GLY 36 Ca 0.22 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 3hi2 n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hi2 s LEU 37 N -0.22 2.54 0.00 0.99 1.43 -0.54 -4.99 118.68 117.89 3hi2 s LEU 37 Ca 0.00 -0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 52.57 3hi2 s LEU 37 Cb 0.00 -1.61 0.09 0.00 0.03 0.00 0.00 46.19 44.70 3hi2 s LEU 37 CO 0.00 0.02 0.54 -0.90 0.23 0.00 0.00 176.35 176.24 3hi2 n ASP 38 N 4.49 0.29 -0.18 2.29 5.75 -1.26 -2.63 116.55 125.31 3hi2 n ASP 38 Ca -0.19 -1.35 -0.04 0.00 -0.01 0.00 0.00 54.79 53.20 3hi2 n ASP 38 Cb 0.51 -0.39 0.05 0.00 -1.03 0.00 0.00 41.12 40.26 3hi2 n ASP 38 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3hi2 h PHE 39 N -0.98 0.54 -0.77 2.11 3.57 -1.99 -0.55 116.94 118.87 3hi2 h PHE 39 Ca -0.18 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.32 3hi2 h PHE 39 Cb 0.54 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 3hi2 h PHE 39 CO 0.00 0.28 0.38 -0.44 -2.23 0.00 0.00 178.31 176.30 3hi2 h ASP 40 N 0.57 0.99 -0.63 0.41 3.32 -1.99 -1.94 116.42 117.15 3hi2 h ASP 40 Ca 0.23 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 3hi2 h ASP 40 Cb 0.10 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 3hi2 h ASP 40 CO -0.14 0.83 0.31 1.23 -1.72 0.00 0.00 179.24 179.76 3hi2 h GLY 41 N 1.13 0.99 1.11 2.75 0.00 -1.68 0.26 103.07 107.62 3hi2 h GLY 41 Ca 0.27 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 3hi2 h GLY 41 CO -0.04 0.44 0.09 -0.33 0.00 0.00 0.00 176.54 176.71 3hi2 h MET 42 N 0.92 1.09 -0.56 4.80 2.86 -0.63 -1.73 114.93 121.67 3hi2 h MET 42 Ca 0.23 -0.30 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 3hi2 h MET 42 Cb 0.09 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 3hi2 h MET 42 CO -0.03 1.00 0.17 0.00 1.06 0.00 0.00 176.91 179.11 3hi2 h ASN 44 N 0.78 0.54 -0.50 0.00 -1.24 -0.81 0.65 115.58 115.00 3hi2 h ASN 44 Ca 0.18 -0.08 -0.02 0.00 0.71 0.00 0.00 56.30 57.09 3hi2 h ASN 44 Cb 0.29 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 3hi2 h ASN 44 CO -0.00 0.56 0.23 0.58 -1.29 0.00 0.00 177.43 177.50 3hi2 h VAL 45 N 0.58 1.20 -0.19 2.57 2.07 -0.98 0.12 116.25 121.62 3hi2 h VAL 45 Ca 0.13 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 3hi2 h VAL 45 Cb 0.24 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3hi2 h VAL 45 CO -0.00 0.22 0.12 0.40 0.02 0.00 0.00 177.57 178.32 3hi2 h ILE 46 N 0.66 1.07 -0.57 4.57 2.04 -0.71 -2.26 117.51 122.32 3hi2 h ILE 46 Ca 0.17 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.87 3hi2 h ILE 46 Cb 0.13 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3hi2 h ILE 46 CO -0.02 0.07 0.38 0.40 0.00 0.00 0.00 178.15 178.98 3hi2 h ILE 47 N 0.23 1.13 0.00 -0.67 1.08 -0.68 -2.05 117.51 116.55 3hi2 h ILE 47 Ca 0.07 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 3hi2 h ILE 47 Cb 0.01 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.09 3hi2 h ILE 47 CO -0.01 0.13 0.00 0.61 -0.69 0.00 0.00 178.15 178.19 3hi2 n GLY 48 N -1.45 -1.06 3.76 5.37 0.00 0.40 -4.91 105.19 107.29 3hi2 n GLY 48 Ca 0.06 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3hi2 n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hi2 s LEU 49 N -2.83 4.05 0.38 0.99 1.43 -0.77 -5.06 118.68 116.86 3hi2 s LEU 49 Ca 0.13 2.82 0.08 0.00 -1.03 0.00 0.00 54.13 56.13 3hi2 s LEU 49 Cb 0.13 -4.04 -0.05 0.00 0.03 0.00 0.00 46.19 42.26 3hi2 s LEU 49 CO 0.33 -1.24 0.17 -0.44 0.23 0.00 0.00 176.35 175.39 3hi2 s SER 50 N -0.69 4.55 0.42 2.29 0.01 -1.26 -5.03 113.70 113.99 3hi2 s SER 50 Ca 0.64 -0.93 0.12 0.00 1.31 0.00 0.00 55.95 57.09 3hi2 s SER 50 Cb -0.42 -0.58 0.91 0.00 0.21 0.00 0.00 66.02 66.14 3hi2 s SER 50 CO 0.52 -0.43 1.96 -0.33 0.41 0.00 0.00 173.24 175.37 3hi2 h GLU 51 N 1.47 0.12 -0.11 12.44 5.08 -1.98 -1.54 114.58 130.05 3hi2 h GLU 51 Ca -0.43 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 57.94 3hi2 h GLU 51 Cb 1.25 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 3hi2 h GLU 51 CO 0.66 0.27 0.08 0.66 -1.00 0.00 0.00 179.01 179.68 3hi2 h SER 52 N 0.12 0.00 0.74 1.42 4.64 -2.03 -1.86 113.55 116.59 3hi2 h SER 52 Ca 0.02 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3hi2 h SER 52 Cb 0.32 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3hi2 h SER 52 CO 0.02 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.45 3hi2 n ASP 53 N -4.51 0.40 -4.74 4.97 8.00 -0.58 -4.84 116.55 115.25 3hi2 n ASP 53 Ca -0.00 0.59 -0.41 0.00 0.71 0.00 0.00 54.79 55.67 3hi2 n ASP 53 Cb 0.20 -0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 40.59 3hi2 n ASP 53 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3hi2 s PHE 54 N -3.16 3.32 -0.07 1.24 5.36 -0.70 -0.38 117.98 123.58 3hi2 s PHE 54 Ca 0.06 1.33 -0.10 0.00 -0.96 0.00 0.00 56.93 57.26 3hi2 s PHE 54 Cb 0.10 -3.53 -0.04 0.00 -0.34 0.00 0.00 43.02 39.21 3hi2 s PHE 54 CO 0.38 -1.57 -0.21 0.98 -1.46 0.00 0.00 175.22 173.34 3hi2 n TYR 55 N 2.37 0.00 -3.70 10.12 9.36 0.11 -4.87 117.16 130.55 3hi2 n TYR 55 Ca 0.05 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.20 3hi2 n TYR 55 Cb 0.43 -0.32 -0.02 0.00 -0.63 0.00 0.00 39.34 38.81 3hi2 n TYR 55 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 3hi2 s LYS 56 N -2.52 1.38 -0.19 2.98 -2.85 -1.12 -4.98 119.74 112.44 3hi2 s LYS 56 Ca -0.18 -0.70 -0.04 0.00 -1.00 0.00 0.00 55.97 54.05 3hi2 s LYS 56 Cb 0.03 0.51 -0.02 0.00 -2.06 0.00 0.00 37.83 36.29 3hi2 s LYS 56 CO 0.26 -0.63 -0.04 0.45 0.10 0.00 0.00 175.35 175.49 3hi2 s SER 57 N -2.84 4.56 0.10 0.03 0.15 -0.16 0.29 113.70 115.82 3hi2 s SER 57 Ca 0.09 -0.26 0.10 0.00 0.70 0.00 0.00 55.95 56.58 3hi2 s SER 57 Cb -0.03 -1.76 -0.04 0.00 -1.71 0.00 0.00 66.02 62.48 3hi2 s SER 57 CO -0.00 0.07 -0.24 -0.04 1.20 0.00 0.00 173.24 174.24 3hi2 s MET 58 N 0.92 1.62 -0.13 5.44 1.00 0.12 -1.24 119.30 127.04 3hi2 s MET 58 Ca -0.00 -1.24 -0.00 0.00 0.00 0.00 0.00 55.69 54.45 3hi2 s MET 58 Cb -0.15 -1.99 0.02 0.00 0.00 0.00 0.00 34.83 32.72 3hi2 s MET 58 CO 0.01 0.48 -0.11 -0.08 0.00 0.00 0.00 175.02 175.32 3hi2 s THR 59 N -1.03 1.27 -0.58 2.05 -1.32 -1.26 -0.31 115.64 114.46 3hi2 s THR 59 Ca 0.15 -0.44 0.02 0.00 -1.21 0.00 0.00 61.69 60.20 3hi2 s THR 59 Cb -0.10 -1.24 0.41 0.00 -1.51 0.00 0.00 72.50 70.06 3hi2 s THR 59 CO 0.06 0.41 1.60 0.35 -2.21 0.00 0.00 174.62 174.83 3hi2 n THR 60 N 4.87 3.04 0.09 5.08 -2.24 -1.26 -4.86 114.28 118.99 3hi2 n THR 60 Ca -0.14 -4.17 -0.03 0.00 -2.27 0.00 0.00 64.05 57.43 3hi2 n THR 60 Cb 0.50 -1.21 -0.07 0.00 -2.10 0.00 0.00 70.33 67.45 3hi2 n THR 60 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3hi2 h HIS 64 N 2.50 0.00 0.00 4.78 -0.00 -2.08 -3.51 115.15 116.84 3hi2 h HIS 64 Ca 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.81 3hi2 h HIS 64 Cb 0.75 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.16 3hi2 h HIS 64 CO 1.07 0.81 -1.18 2.41 -0.00 0.00 0.00 177.93 181.04 3hi2 n THR 65 N -3.29 0.63 -4.68 2.45 -1.04 -1.26 -4.83 114.28 102.27 3hi2 n THR 65 Ca 0.00 -0.57 -0.33 0.00 -2.04 0.00 0.00 64.05 61.11 3hi2 n THR 65 Cb 0.87 -0.35 -0.14 0.00 -1.82 0.00 0.00 70.33 68.88 3hi2 n THR 65 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3hi2 s ILE 66 N -3.32 3.18 -0.03 12.58 -1.09 -1.26 -5.11 121.20 126.15 3hi2 s ILE 66 Ca -0.02 -0.61 0.01 0.00 -2.23 0.00 0.00 60.65 57.79 3hi2 s ILE 66 Cb 0.10 -2.35 -0.03 0.00 -1.58 0.00 0.00 42.46 38.60 3hi2 s ILE 66 CO 0.81 0.52 -0.01 0.26 -1.23 0.00 0.00 174.94 175.29 3hi2 s TRP 67 N 0.41 3.08 -0.16 3.97 0.52 -1.26 -4.35 118.94 121.15 3hi2 s TRP 67 Ca -0.09 0.10 0.00 0.00 0.02 0.00 0.00 56.10 56.13 3hi2 s TRP 67 Cb -0.16 -1.70 0.00 0.00 -1.15 0.00 0.00 33.47 30.46 3hi2 s TRP 67 CO 0.05 0.45 -0.16 -0.65 0.02 0.00 0.00 176.95 176.66 3hi2 s GLN 68 N -1.31 3.18 -0.19 4.98 -0.21 0.58 -4.52 119.66 122.18 3hi2 s GLN 68 Ca 0.17 -0.76 -0.21 0.00 0.02 0.00 0.00 55.36 54.59 3hi2 s GLN 68 Cb -0.11 -2.63 -0.03 0.00 1.00 0.00 0.00 33.01 31.24 3hi2 s GLN 68 CO 0.07 -0.03 0.62 -0.51 -2.12 0.00 0.00 175.29 173.32 3hi2 s ASP 69 N 0.92 6.69 -0.23 5.90 1.01 0.02 0.14 116.67 131.11 3hi2 s ASP 69 Ca -0.03 0.84 -0.10 0.00 0.71 0.00 0.00 52.55 53.96 3hi2 s ASP 69 Cb -0.15 -2.34 -0.05 0.00 1.01 0.00 0.00 42.92 41.39 3hi2 s ASP 69 CO -0.02 -0.25 0.14 -0.69 0.21 0.00 0.00 175.17 174.56 3hi2 s VAL 70 N 1.80 5.22 0.16 -1.27 1.01 0.14 -1.00 120.40 126.46 3hi2 s VAL 70 Ca 0.29 0.13 0.11 0.00 0.00 0.00 0.00 61.98 62.50 3hi2 s VAL 70 Cb -0.16 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 3hi2 s VAL 70 CO 0.11 0.37 -0.22 -0.31 0.00 0.00 0.00 175.10 175.05 3hi2 s TYR 71 N 0.91 2.38 -0.46 5.22 2.02 0.01 0.04 117.35 127.46 3hi2 s TYR 71 Ca 0.07 -0.34 0.08 0.00 -0.37 0.00 0.00 57.07 56.51 3hi2 s TYR 71 Cb -0.13 -1.22 0.27 0.00 -0.40 0.00 0.00 41.96 40.48 3hi2 s TYR 71 CO 0.03 0.44 0.64 2.89 -1.57 0.00 0.00 175.55 177.98 3hi2 n ARG 72 N 0.51 1.41 -1.66 -0.62 1.85 0.49 -0.58 116.66 118.06 3hi2 n ARG 72 Ca -0.14 -3.74 -0.34 0.00 -1.00 0.00 0.00 57.85 52.62 3hi2 n ARG 72 Cb 0.55 -1.63 0.07 0.00 -1.05 0.00 0.00 32.46 30.39 3hi2 n ARG 72 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3hi2 s PRO 73 N -1.88 2.51 -0.28 2.89 0.04 -1.18 -4.69 135.00 132.40 3hi2 s PRO 73 Ca 0.38 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.98 3hi2 s PRO 73 Cb 0.20 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.82 3hi2 s PRO 73 CO -0.08 -1.53 0.32 1.03 0.04 0.00 0.00 177.00 176.77 3hi2 s ARG 74 N -3.79 3.94 0.44 4.56 0.52 -1.26 -2.03 118.95 121.33 3hi2 s ARG 74 Ca 0.74 -0.12 0.07 0.00 -0.52 0.00 0.00 55.73 55.89 3hi2 s ARG 74 Cb -0.28 -3.67 -0.03 0.00 0.52 0.00 0.00 34.95 31.49 3hi2 s ARG 74 CO 0.41 -0.28 0.22 -0.51 0.02 0.00 0.00 175.30 175.16 3hi2 s LEU 75 N 1.97 3.02 0.55 2.53 1.43 0.58 -4.96 118.68 123.81 3hi2 s LEU 75 Ca 0.12 -1.12 0.25 0.00 -1.03 0.00 0.00 54.13 52.35 3hi2 s LEU 75 Cb -0.16 -1.40 1.49 0.00 0.03 0.00 0.00 46.19 46.15 3hi2 s LEU 75 CO 0.10 -0.66 2.08 1.62 0.23 0.00 0.00 176.35 179.72 3hi2 h VAL 76 N 1.29 0.67 -0.06 -1.59 3.04 -1.98 0.38 116.25 118.01 3hi2 h VAL 76 Ca -0.42 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 3hi2 h VAL 76 Cb 1.27 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 3hi2 h VAL 76 CO 0.67 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.58 3hi2 n THR 77 N -4.15 0.07 0.00 3.17 -2.24 -1.26 -5.03 114.28 104.83 3hi2 n THR 77 Ca 0.03 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3hi2 n THR 77 Cb 0.36 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3hi2 n THR 77 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hi2 n GLY 78 N 1.06 -0.72 3.73 3.38 0.00 0.13 -4.99 105.19 107.78 3hi2 n GLY 78 Ca 0.18 -2.19 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 3hi2 n GLY 78 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hi2 s GLN 79 N -0.02 4.59 -0.03 1.61 0.74 -1.26 -0.31 119.66 124.98 3hi2 s GLN 79 Ca 0.00 1.59 0.06 0.00 0.05 0.00 0.00 55.36 57.06 3hi2 s GLN 79 Cb 0.00 -3.36 -0.01 0.00 1.10 0.00 0.00 33.01 30.74 3hi2 s GLN 79 CO 0.00 0.03 -0.21 0.54 -0.55 0.00 0.00 175.29 175.09 3hi2 s VAL 80 N 0.32 1.71 -0.26 1.34 0.11 -0.86 -4.96 120.40 117.80 3hi2 s VAL 80 Ca 0.51 -0.91 -0.13 0.00 -2.93 0.00 0.00 61.98 58.52 3hi2 s VAL 80 Cb -0.26 -1.43 -0.04 0.00 -1.53 0.00 0.00 36.38 33.12 3hi2 s VAL 80 CO 0.31 0.48 0.28 -0.31 -3.33 0.00 0.00 175.10 172.53 3hi2 s TYR 81 N -0.37 3.26 0.06 1.54 1.51 -1.26 -3.12 117.35 118.97 3hi2 s TYR 81 Ca 0.05 0.30 0.08 0.00 -1.01 0.00 0.00 57.07 56.48 3hi2 s TYR 81 Cb -0.10 -2.46 -0.03 0.00 -0.11 0.00 0.00 41.96 39.27 3hi2 s TYR 81 CO 0.00 -0.14 -0.21 -0.48 -1.11 0.00 0.00 175.55 173.61 3hi2 s LEU 82 N 1.75 2.20 -0.05 -1.29 0.05 0.26 -4.57 118.68 117.03 3hi2 s LEU 82 Ca 0.11 -0.57 0.05 0.00 0.05 0.00 0.00 54.13 53.78 3hi2 s LEU 82 Cb -0.15 -0.96 -0.02 0.00 -2.05 0.00 0.00 46.19 43.00 3hi2 s LEU 82 CO 0.09 0.14 -0.19 -0.54 -0.55 0.00 0.00 176.35 175.30 3hi2 s LYS 83 N -1.37 2.50 -0.06 1.48 -0.14 -0.32 -0.81 119.74 121.02 3hi2 s LYS 83 Ca 0.07 -0.79 0.05 0.00 -1.36 0.00 0.00 55.97 53.94 3hi2 s LYS 83 Cb -0.09 -2.28 -0.00 0.00 -1.68 0.00 0.00 37.83 33.77 3hi2 s LYS 83 CO 0.02 0.53 -0.21 0.96 -0.76 0.00 0.00 175.35 175.90 3hi2 s ILE 84 N -0.50 1.72 -0.04 2.17 -4.36 -0.17 -0.95 121.20 119.06 3hi2 s ILE 84 Ca 0.06 -0.86 0.05 0.00 -0.26 0.00 0.00 60.65 59.64 3hi2 s ILE 84 Cb -0.11 -1.47 -0.01 0.00 1.25 0.00 0.00 42.46 42.12 3hi2 s ILE 84 CO 0.01 0.48 -0.21 -0.89 0.24 0.00 0.00 174.94 174.58 3hi2 s THR 85 N 0.05 1.70 -0.28 8.37 2.01 -0.45 -0.80 115.64 126.23 3hi2 s THR 85 Ca -0.07 -0.88 -0.10 0.00 0.31 0.00 0.00 61.69 60.95 3hi2 s THR 85 Cb -0.13 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 3hi2 s THR 85 CO 0.04 0.48 0.17 -0.69 -0.69 0.00 0.00 174.62 173.93 3hi2 s VAL 86 N -0.16 5.03 -0.13 3.82 1.01 -1.26 0.04 120.40 128.75 3hi2 s VAL 86 Ca -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.98 3hi2 s VAL 86 Cb -0.11 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.86 3hi2 s VAL 86 CO 0.02 0.22 -0.14 -0.63 0.00 0.00 0.00 175.10 174.57 3hi2 s ILE 87 N 1.71 1.47 -1.37 2.22 -1.09 -0.03 -4.88 121.20 119.23 3hi2 s ILE 87 Ca 0.07 -0.59 -0.01 0.00 -2.23 0.00 0.00 60.65 57.88 3hi2 s ILE 87 Cb -0.16 -1.38 -0.00 0.00 -1.58 0.00 0.00 42.46 39.34 3hi2 s ILE 87 CO 0.09 0.44 0.50 1.41 -1.23 0.00 0.00 174.94 176.15 3hi2 n HIS 88 N 4.56 -1.72 -2.98 3.97 8.25 -1.26 -1.17 115.22 124.87 3hi2 n HIS 88 Ca -0.17 0.76 -0.22 0.00 -0.26 0.00 0.00 57.72 57.82 3hi2 n HIS 88 Cb 0.50 -3.90 0.03 0.00 1.12 0.00 0.00 29.99 27.75 3hi2 n HIS 88 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3hi2 n ASP 89 N -2.99 -5.89 -3.86 0.41 8.00 -1.26 -5.00 116.55 105.96 3hi2 n ASP 89 Ca -0.30 -0.26 -0.20 0.00 0.71 0.00 0.00 54.79 54.74 3hi2 n ASP 89 Cb 0.68 -4.78 -0.16 0.00 -0.02 0.00 0.00 41.12 36.84 3hi2 n ASP 89 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hi2 s VAL 90 N -3.14 0.42 -0.19 2.53 1.01 -0.32 -4.89 120.40 115.83 3hi2 s VAL 90 Ca 0.28 -0.03 -0.19 0.00 0.00 0.00 0.00 61.98 62.04 3hi2 s VAL 90 Cb -0.13 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 3hi2 s VAL 90 CO 0.34 0.21 0.53 -0.22 0.00 0.00 0.00 175.10 175.96 3hi2 s LEU 91 N 1.09 4.17 -0.22 3.92 1.98 -0.40 -0.86 118.68 128.37 3hi2 s LEU 91 Ca -0.08 0.73 -0.06 0.00 -2.89 0.00 0.00 54.13 51.83 3hi2 s LEU 91 Cb -0.14 -2.74 -0.02 0.00 0.66 0.00 0.00 46.19 43.95 3hi2 s LEU 91 CO -0.01 -0.17 0.02 -0.63 -1.89 0.00 0.00 176.35 173.67 3hi2 s ILE 92 N 1.51 4.03 -0.13 6.68 -1.09 0.11 -0.05 121.20 132.26 3hi2 s ILE 92 Ca 0.25 -0.28 -0.01 0.00 -2.23 0.00 0.00 60.65 58.38 3hi2 s ILE 92 Cb -0.15 -2.84 -0.02 0.00 -1.58 0.00 0.00 42.46 37.86 3hi2 s ILE 92 CO 0.10 0.40 -0.09 0.54 -1.23 0.00 0.00 174.94 174.66 3hi2 s VAL 93 N 1.20 3.42 0.13 2.92 0.11 -0.46 -1.35 120.40 126.37 3hi2 s VAL 93 Ca 0.03 -0.54 0.08 0.00 -2.93 0.00 0.00 61.98 58.63 3hi2 s VAL 93 Cb -0.14 -2.46 -0.04 0.00 -1.53 0.00 0.00 36.38 32.21 3hi2 s VAL 93 CO 0.02 0.52 -0.19 -0.44 -3.33 0.00 0.00 175.10 171.68 3hi2 s SER 94 N 0.21 2.50 0.00 3.54 0.01 -0.13 -3.83 113.70 116.00 3hi2 s SER 94 Ca -0.06 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.43 3hi2 s SER 94 Cb -0.15 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 65.95 3hi2 s SER 94 CO 0.04 -0.01 0.37 0.49 0.41 0.00 0.00 173.24 174.54