#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hi2 s GLU 2 N 0.00 0.26 0.16 0.03 2.02 -1.26 -1.54 118.70 118.36 3hi2 s GLU 2 Ca 0.00 -0.42 0.07 0.00 0.02 0.00 0.00 54.97 54.63 3hi2 s GLU 2 Cb 0.00 -0.01 -0.04 0.00 0.10 0.00 0.00 34.13 34.18 3hi2 s GLU 2 CO 0.00 -0.01 -0.14 0.15 0.02 0.00 0.00 175.26 175.28 3hi2 s LYS 3 N -0.97 1.16 0.00 1.61 1.02 -0.25 -5.00 119.74 117.32 3hi2 s LYS 3 Ca -0.09 -1.41 0.22 0.00 0.02 0.00 0.00 55.97 54.71 3hi2 s LYS 3 Cb -0.07 -0.99 0.50 0.00 -0.52 0.00 0.00 37.83 36.76 3hi2 s LYS 3 CO -0.00 0.17 1.44 0.54 -0.92 0.00 0.00 175.35 176.58 3hi2 n ARG 4 N 0.09 2.29 -4.72 1.68 5.12 -1.26 -1.65 116.66 118.22 3hi2 n ARG 4 Ca -0.12 -1.95 -0.30 0.00 -1.93 0.00 0.00 57.85 53.55 3hi2 n ARG 4 Cb 0.59 -1.48 -0.14 0.00 -1.16 0.00 0.00 32.46 30.27 3hi2 n ARG 4 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3hi2 s THR 5 N -1.59 2.23 0.46 0.55 -4.23 -1.26 -4.95 115.64 106.84 3hi2 s THR 5 Ca 0.37 -1.51 -0.23 0.00 -1.18 0.00 0.00 61.69 59.14 3hi2 s THR 5 Cb 0.21 -1.91 -0.07 0.00 1.34 0.00 0.00 72.50 72.07 3hi2 s THR 5 CO 0.30 0.27 1.18 -2.16 -0.54 0.00 0.00 174.62 173.67 3hi2 s PRO 6 N -1.54 3.76 0.16 3.99 0.04 -1.26 -4.45 135.00 135.71 3hi2 s PRO 6 Ca 0.13 1.82 -0.06 0.00 0.04 0.00 0.00 61.00 62.93 3hi2 s PRO 6 Cb -0.10 -2.44 0.03 0.00 0.04 0.00 0.00 34.50 32.03 3hi2 s PRO 6 CO 0.04 -0.56 1.44 1.25 0.04 0.00 0.00 177.00 179.21 3hi2 h HIS 7 N 2.11 0.79 -3.44 0.56 2.76 -1.95 -3.43 115.15 112.55 3hi2 h HIS 7 Ca -0.49 -0.31 -0.66 0.00 -2.20 0.00 0.00 60.37 56.71 3hi2 h HIS 7 Cb 1.25 -0.14 -0.27 0.00 1.55 0.00 0.00 27.41 29.80 3hi2 h HIS 7 CO 0.53 1.08 -0.77 0.99 -1.30 0.00 0.00 177.93 178.45 3hi2 s THR 8 N -3.91 2.98 0.31 6.26 2.01 -1.26 -5.09 115.64 116.94 3hi2 s THR 8 Ca -0.08 -0.70 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 3hi2 s THR 8 Cb 0.11 -2.23 -0.11 0.00 0.01 0.00 0.00 72.50 70.27 3hi2 s THR 8 CO 0.86 0.54 1.55 0.00 -0.69 0.00 0.00 174.62 176.88 3hi2 s ARG 9 N 0.17 4.14 0.47 4.92 1.70 -1.26 -4.84 118.95 124.25 3hi2 s ARG 9 Ca -0.08 2.54 0.13 0.00 -0.47 0.00 0.00 55.73 57.86 3hi2 s ARG 9 Cb -0.15 -3.02 1.10 0.00 -0.57 0.00 0.00 34.95 32.31 3hi2 s ARG 9 CO 0.05 -0.58 2.09 1.25 -1.08 0.00 0.00 175.30 177.02 3hi2 h LEU 10 N 4.48 0.21 -1.19 -1.89 5.85 -1.98 -0.77 115.31 120.02 3hi2 h LEU 10 Ca -0.48 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 3hi2 h LEU 10 Cb 1.22 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 3hi2 h LEU 10 CO 0.76 0.15 0.47 0.77 -0.34 0.00 0.00 178.44 180.25 3hi2 h SER 11 N 0.25 0.90 -0.16 1.25 4.64 -1.99 -1.36 113.55 117.07 3hi2 h SER 11 Ca 0.11 -0.04 -0.21 0.00 -0.47 0.00 0.00 61.79 61.17 3hi2 h SER 11 Cb 0.12 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 62.00 3hi2 h SER 11 CO -0.02 0.68 -0.73 -0.61 -0.87 0.00 0.00 176.83 175.27 3hi2 h GLN 12 N 1.04 0.78 -0.43 4.77 5.75 -1.53 -1.53 115.11 123.95 3hi2 h GLN 12 Ca 0.27 -0.62 0.09 0.00 -0.15 0.00 0.00 58.65 58.24 3hi2 h GLN 12 Cb -0.06 0.13 -0.08 0.00 1.07 0.00 0.00 27.48 28.53 3hi2 h GLN 12 CO -0.05 1.23 -0.10 0.28 -2.65 0.00 0.00 178.83 177.54 3hi2 h VAL 13 N 0.51 0.57 -0.05 2.39 2.07 -1.02 -1.89 116.25 118.82 3hi2 h VAL 13 Ca -0.05 -0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.36 3hi2 h VAL 13 Cb 1.36 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 3hi2 h VAL 13 CO 0.15 0.00 -0.50 0.11 0.02 0.00 0.00 177.57 177.35 3hi2 h LYS 14 N 0.00 0.13 -0.56 1.57 1.57 -1.20 -2.09 116.57 115.99 3hi2 h LYS 14 Ca 0.21 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 3hi2 h LYS 14 Cb 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3hi2 h LYS 14 CO -0.44 0.60 0.14 -0.22 -0.57 0.00 0.00 179.45 178.96 3hi2 h LYS 15 N 0.10 0.90 -0.15 3.15 3.64 -0.98 0.18 116.57 123.41 3hi2 h LYS 15 Ca 0.00 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 3hi2 h LYS 15 Cb 0.93 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 3hi2 h LYS 15 CO 0.07 0.84 0.05 -0.07 -2.27 0.00 0.00 179.45 178.07 3hi2 h LEU 16 N 0.81 0.22 -0.17 5.20 3.38 -1.09 -0.81 115.31 122.85 3hi2 h LEU 16 Ca 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3hi2 h LEU 16 Cb 0.35 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3hi2 h LEU 16 CO 0.00 0.35 0.08 0.58 0.09 0.00 0.00 178.44 179.55 3hi2 h VAL 17 N 0.07 1.12 0.00 1.22 2.07 -1.27 0.15 116.25 119.61 3hi2 h VAL 17 Ca 0.05 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 3hi2 h VAL 17 Cb 0.21 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3hi2 h VAL 17 CO -0.00 0.12 -0.00 0.78 0.02 0.00 0.00 177.57 178.49 3hi2 h ASN 18 N 0.14 0.00 -0.21 0.57 2.35 -0.58 -0.79 115.58 117.06 3hi2 h ASN 18 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3hi2 h ASN 18 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 3hi2 h ASN 18 CO -0.01 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.77 3hi2 n ALA 19 N -2.08 2.49 -1.08 -0.83 0.00 -0.32 -4.95 120.51 113.74 3hi2 n ALA 19 Ca -0.03 -0.69 -0.03 0.00 0.00 0.00 0.00 53.44 52.70 3hi2 n ALA 19 Cb 0.08 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 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 0.60 2.86 0.00 0.00 -0.30 -4.94 105.19 104.70 3hi2 n GLY 20 Ca 0.17 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.59 4.26 -3.79 1.61 1.13 0.44 -4.90 117.38 113.53 3hi2 n GLN 21 Ca -0.03 -4.07 -0.13 0.00 -1.94 0.00 0.00 57.00 50.83 3hi2 n GLN 21 Cb 0.13 -2.68 -0.14 0.00 0.11 0.00 0.00 30.24 27.67 3hi2 n GLN 21 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3hi2 s VAL 22 N -1.58 -0.02 0.15 5.09 1.01 -1.26 -0.92 120.40 122.87 3hi2 s VAL 22 Ca 0.37 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.45 3hi2 s VAL 22 Cb 0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.22 3hi2 s VAL 22 CO 0.03 0.03 -0.00 -0.13 0.00 0.00 0.00 175.10 175.03 3hi2 s ARG 23 N 0.57 1.02 0.08 2.72 0.52 0.94 -4.93 118.95 119.87 3hi2 s ARG 23 Ca -0.04 -1.48 0.03 0.00 -0.52 0.00 0.00 55.73 53.72 3hi2 s ARG 23 Cb -0.06 -0.16 -0.04 0.00 0.52 0.00 0.00 34.95 35.22 3hi2 s ARG 23 CO -0.03 -0.13 -0.08 -0.08 0.02 0.00 0.00 175.30 175.00 3hi2 s THR 24 N -3.73 0.74 0.62 0.02 -1.32 -1.26 -1.15 115.64 109.57 3hi2 s THR 24 Ca 0.22 -1.60 -0.12 0.00 -1.21 0.00 0.00 61.69 58.97 3hi2 s THR 24 Cb 0.06 -1.28 -0.03 0.00 -1.51 0.00 0.00 72.50 69.74 3hi2 s THR 24 CO 0.02 -0.63 1.03 0.42 -2.21 0.00 0.00 174.62 173.25 3hi2 s THR 25 N -2.60 4.38 0.23 5.08 -4.23 -1.02 -4.93 115.64 112.55 3hi2 s THR 25 Ca 0.04 0.88 -0.06 0.00 -1.18 0.00 0.00 61.69 61.36 3hi2 s THR 25 Cb -0.02 -3.65 0.17 0.00 1.34 0.00 0.00 72.50 70.34 3hi2 s THR 25 CO -0.02 -0.91 1.81 -0.09 -0.54 0.00 0.00 174.62 174.87 3hi2 h ARG 26 N -0.12 1.14 -0.62 3.99 2.43 -2.00 -1.88 114.38 117.33 3hi2 h ARG 26 Ca -0.45 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 58.47 3hi2 h ARG 26 Cb 1.20 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 3hi2 h ARG 26 CO 0.60 0.92 0.16 0.66 -1.51 0.00 0.00 179.97 180.80 3hi2 h SER 27 N 1.12 0.93 -0.56 -3.80 4.64 -1.99 -2.24 113.55 111.65 3hi2 h SER 27 Ca 0.26 -0.23 -0.06 0.00 -0.47 0.00 0.00 61.79 61.29 3hi2 h SER 27 Cb 0.19 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 3hi2 h SER 27 CO -0.02 0.92 0.12 0.00 -0.87 0.00 0.00 176.83 176.97 3hi2 h ALA 28 N 1.05 1.08 -0.36 5.18 0.00 -1.83 -0.98 119.26 123.40 3hi2 h ALA 28 Ca 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hi2 h ALA 28 Cb 0.34 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3hi2 h ALA 28 CO 0.00 0.60 0.24 1.25 0.00 0.00 0.00 179.25 181.34 3hi2 h LEU 29 N 0.91 0.41 -0.48 0.00 5.85 -1.12 0.37 115.31 121.26 3hi2 h LEU 29 Ca 0.19 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.74 3hi2 h LEU 29 Cb 0.37 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3hi2 h LEU 29 CO 0.01 0.30 -0.43 -0.07 -0.34 0.00 0.00 178.44 177.91 3hi2 h LEU 30 N 0.48 0.84 -0.13 2.25 3.38 -1.23 -1.48 115.31 119.42 3hi2 h LEU 30 Ca 0.13 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3hi2 h LEU 30 Cb -0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3hi2 h LEU 30 CO -0.03 1.15 0.08 -1.13 0.09 0.00 0.00 178.44 178.60 3hi2 h ASN 31 N 0.63 0.16 -0.98 -0.43 -0.73 -0.97 -2.65 115.58 110.60 3hi2 h ASN 31 Ca 0.04 -0.04 0.01 0.00 1.87 0.00 0.00 56.30 58.18 3hi2 h ASN 31 Cb 0.99 -0.04 -0.05 0.00 0.27 0.00 0.00 38.32 39.50 3hi2 h ASN 31 CO 0.09 0.15 0.65 0.00 -0.37 0.00 0.00 177.43 177.95 3hi2 h ALA 32 N 1.01 1.30 -0.91 1.57 0.00 -0.08 -2.09 119.26 120.06 3hi2 h ALA 32 Ca 0.05 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.98 3hi2 h ALA 32 Cb 0.02 -0.40 -0.06 0.00 0.00 0.00 0.00 17.79 17.35 3hi2 h ALA 32 CO -0.01 0.65 0.59 0.22 0.00 0.00 0.00 179.25 180.70 3hi2 h ASP 33 N 1.33 0.85 0.08 0.00 3.58 -0.94 0.59 116.42 121.92 3hi2 h ASP 33 Ca 0.36 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.82 3hi2 h ASP 33 Cb -0.15 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 40.74 3hi2 h ASP 33 CO -0.08 0.51 -0.06 -0.33 -2.88 0.00 0.00 179.24 176.41 3hi2 h GLU 34 N 0.95 0.00 -0.21 0.28 5.08 -1.03 -1.97 114.58 117.67 3hi2 h GLU 34 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 3hi2 h GLU 34 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3hi2 h GLU 34 CO -0.18 0.06 0.00 1.28 -1.00 0.00 0.00 179.01 179.17 3hi2 n LEU 35 N -4.29 2.39 0.00 1.33 4.77 -0.22 -4.92 117.00 116.05 3hi2 n LEU 35 Ca -0.03 -0.97 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 3hi2 n LEU 35 Cb 0.14 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3hi2 n LEU 35 CO 0.33 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 3hi2 n GLY 36 N 1.28 0.41 3.36 -0.72 0.00 -0.74 -4.87 105.19 103.91 3hi2 n GLY 36 Ca 0.17 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 2.91 0.00 0.99 1.43 0.03 -4.97 118.68 119.07 3hi2 s LEU 37 Ca 0.00 -0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 52.77 3hi2 s LEU 37 Cb 0.00 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.51 3hi2 s LEU 37 CO 0.00 0.06 0.04 -0.90 0.23 0.00 0.00 176.35 175.77 3hi2 n ASP 38 N 4.28 0.04 -0.10 2.29 3.85 -1.26 -2.46 116.55 123.18 3hi2 n ASP 38 Ca -0.18 -1.04 -0.07 0.00 -0.71 0.00 0.00 54.79 52.79 3hi2 n ASP 38 Cb 0.52 -0.02 0.01 0.00 -1.35 0.00 0.00 41.12 40.27 3hi2 n ASP 38 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 3hi2 h PHE 39 N -0.48 0.32 -0.98 2.11 3.57 -1.99 -0.75 116.94 118.74 3hi2 h PHE 39 Ca -0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3hi2 h PHE 39 Cb 0.04 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 3hi2 h PHE 39 CO 0.00 0.17 0.62 -0.44 -2.23 0.00 0.00 178.31 176.43 3hi2 h ASP 40 N 0.36 1.15 -0.62 0.41 3.32 -1.99 -2.14 116.42 116.91 3hi2 h ASP 40 Ca 0.15 -0.05 0.12 0.00 0.02 0.00 0.00 57.03 57.27 3hi2 h ASP 40 Cb 0.06 -0.29 -0.09 0.00 0.22 0.00 0.00 39.33 39.23 3hi2 h ASP 40 CO -0.10 0.86 0.09 1.23 -1.72 0.00 0.00 179.24 179.59 3hi2 h GLY 41 N 1.34 0.75 0.98 2.75 0.00 -1.52 -0.75 103.07 106.62 3hi2 h GLY 41 Ca 0.36 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 3hi2 h GLY 41 CO -0.07 -0.16 0.23 -0.33 0.00 0.00 0.00 176.54 176.22 3hi2 h MET 42 N 0.21 0.77 -0.71 4.80 2.86 -0.68 -1.52 114.93 120.66 3hi2 h MET 42 Ca 0.33 -0.12 0.05 0.00 -2.06 0.00 0.00 59.70 57.89 3hi2 h MET 42 Cb 0.52 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 3hi2 h MET 42 CO -0.46 0.65 0.42 0.00 1.06 0.00 0.00 176.91 178.59 3hi2 h ASN 44 N 0.79 0.77 -0.56 0.00 2.35 -0.83 -0.86 115.58 117.25 3hi2 h ASN 44 Ca 0.30 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 3hi2 h ASN 44 Cb 0.12 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3hi2 h ASN 44 CO -0.15 0.71 0.19 0.58 -1.65 0.00 0.00 177.43 177.10 3hi2 h VAL 45 N 0.83 1.23 -0.45 2.81 2.07 -0.74 -0.95 116.25 121.06 3hi2 h VAL 45 Ca 0.20 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 3hi2 h VAL 45 Cb 0.19 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3hi2 h VAL 45 CO -0.02 0.29 0.13 0.40 0.02 0.00 0.00 177.57 178.39 3hi2 h ILE 46 N 0.78 1.23 0.00 4.57 2.04 -0.88 -2.02 117.51 123.22 3hi2 h ILE 46 Ca 0.18 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3hi2 h ILE 46 Cb 0.26 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3hi2 h ILE 46 CO -0.01 0.27 0.00 0.16 0.00 0.00 0.00 178.15 178.58 3hi2 h ILE 47 N 0.59 0.00 -0.00 -0.67 -0.00 -1.01 -2.23 117.51 114.19 3hi2 h ILE 47 Ca 0.14 -0.34 0.00 0.00 -0.00 0.00 0.00 64.86 64.66 3hi2 h ILE 47 Cb 0.29 1.18 0.00 0.00 -0.00 0.00 0.00 36.82 38.29 3hi2 h ILE 47 CO -0.00 0.00 -0.14 0.61 -0.00 0.00 0.00 178.15 178.61 3hi2 n GLY 48 N 0.07 -0.99 3.77 0.16 0.00 -0.38 -4.95 105.19 102.88 3hi2 n GLY 48 Ca 0.02 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.56 4.17 0.32 0.99 1.43 -0.84 -5.06 118.68 117.13 3hi2 s LEU 49 Ca 0.26 2.89 0.08 0.00 -1.03 0.00 0.00 54.13 56.33 3hi2 s LEU 49 Cb 0.20 -3.88 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 3hi2 s LEU 49 CO 0.50 -1.07 0.15 -0.44 0.23 0.00 0.00 176.35 175.73 3hi2 s SER 50 N -0.49 4.84 0.45 2.29 0.01 -1.26 -5.03 113.70 114.52 3hi2 s SER 50 Ca 0.59 -0.66 0.18 0.00 1.31 0.00 0.00 55.95 57.37 3hi2 s SER 50 Cb -0.43 -0.85 1.14 0.00 0.21 0.00 0.00 66.02 66.09 3hi2 s SER 50 CO 0.56 -0.24 1.93 -0.33 0.41 0.00 0.00 173.24 175.57 3hi2 h GLU 51 N 1.54 0.30 0.00 12.44 5.08 -1.99 0.63 114.58 132.58 3hi2 h GLU 51 Ca -0.44 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3hi2 h GLU 51 Cb 1.25 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3hi2 h GLU 51 CO 0.62 0.20 0.00 0.66 -1.00 0.00 0.00 179.01 179.49 3hi2 h SER 52 N 0.31 0.00 0.68 1.42 4.64 -2.02 -2.17 113.55 116.41 3hi2 h SER 52 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3hi2 h SER 52 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3hi2 h SER 52 CO -0.09 0.00 -0.14 0.47 -0.87 0.00 0.00 176.83 176.20 3hi2 n ASP 53 N -2.49 0.23 -4.75 4.97 8.00 0.22 -4.88 116.55 117.84 3hi2 n ASP 53 Ca 0.00 -0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 3hi2 n ASP 53 Cb 0.17 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 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 -2.83 3.35 -0.05 1.24 5.36 -0.82 -0.20 117.98 124.03 3hi2 s PHE 54 Ca 0.18 1.50 -0.09 0.00 -0.96 0.00 0.00 56.93 57.56 3hi2 s PHE 54 Cb 0.19 -3.47 -0.03 0.00 -0.34 0.00 0.00 43.02 39.37 3hi2 s PHE 54 CO 0.55 -1.24 -0.17 0.98 -1.46 0.00 0.00 175.22 173.87 3hi2 n TYR 55 N 1.52 0.00 -3.53 10.12 9.36 0.59 -4.86 117.16 130.36 3hi2 n TYR 55 Ca 0.01 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.16 3hi2 n TYR 55 Cb 0.44 -0.24 -0.02 0.00 -0.63 0.00 0.00 39.34 38.88 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 -2.34 0.70 -0.05 2.98 -2.85 -1.14 -4.95 119.74 112.10 3hi2 s LYS 56 Ca -0.14 -0.27 0.02 0.00 -1.00 0.00 0.00 55.97 54.58 3hi2 s LYS 56 Cb 0.02 0.32 -0.03 0.00 -2.06 0.00 0.00 37.83 36.08 3hi2 s LYS 56 CO 0.21 -0.31 -0.09 0.45 0.10 0.00 0.00 175.35 175.72 3hi2 s SER 57 N -2.43 4.50 0.01 0.03 0.15 -0.66 -0.17 113.70 115.13 3hi2 s SER 57 Ca 0.06 -0.08 -0.03 0.00 0.70 0.00 0.00 55.95 56.60 3hi2 s SER 57 Cb -0.01 -1.08 -0.01 0.00 -1.71 0.00 0.00 66.02 63.22 3hi2 s SER 57 CO -0.08 0.34 0.05 0.00 1.20 0.00 0.00 173.24 174.76 3hi2 s MET 58 N -0.91 0.35 0.24 5.44 0.00 -0.25 -1.09 119.30 123.08 3hi2 s MET 58 Ca 0.13 -0.44 0.00 0.00 0.00 0.00 0.00 55.69 55.38 3hi2 s MET 58 Cb -0.11 0.14 -0.00 0.00 0.00 0.00 0.00 34.83 34.86 3hi2 s MET 58 CO 0.02 -0.07 0.01 -2.37 0.00 0.00 0.00 175.02 172.61 3hi2 n THR 59 N 1.71 0.00 -4.24 3.16 5.66 -0.59 -0.86 114.28 119.12 3hi2 n THR 59 Ca -0.22 -1.14 -0.13 0.00 -3.05 0.00 0.00 64.05 59.51 3hi2 n THR 59 Cb 0.56 0.25 -0.10 0.00 -1.55 0.00 0.00 70.33 69.48 3hi2 n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3hi2 s THR 60 N -1.91 0.21 0.12 1.09 -4.23 -1.26 -4.89 115.64 104.76 3hi2 s THR 60 Ca 0.01 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.43 3hi2 s THR 60 Cb 0.00 -2.52 -0.16 0.00 1.34 0.00 0.00 72.50 71.16 3hi2 s THR 60 CO 0.01 -0.03 1.31 1.88 -0.54 0.00 0.00 174.62 177.25 3hi2 h TYR 61 N 2.55 0.90 -0.17 3.99 0.05 -1.99 -3.06 116.97 119.24 3hi2 h TYR 61 Ca -0.37 -0.43 -0.07 0.00 0.05 0.00 0.00 58.73 57.92 3hi2 h TYR 61 Cb 1.25 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.85 3hi2 h TYR 61 CO 0.39 1.24 -0.20 0.77 -1.05 0.00 0.00 178.16 179.32 3hi2 h SER 62 N 0.42 0.29 -2.01 3.88 0.02 -2.02 -3.34 113.55 110.78 3hi2 h SER 62 Ca -0.07 -0.08 -0.56 0.00 -0.84 0.00 0.00 61.79 60.25 3hi2 h SER 62 Cb 1.46 -0.08 -0.39 0.00 0.14 0.00 0.00 62.40 63.54 3hi2 h SER 62 CO 0.16 0.50 -1.09 -0.67 -1.14 0.00 0.00 176.83 174.60 3hi2 n ASP 63 N -4.19 0.44 0.01 3.07 2.03 -1.25 -4.97 116.55 111.68 3hi2 n ASP 63 Ca -0.01 -2.76 0.10 0.00 0.52 0.00 0.00 54.79 52.64 3hi2 n ASP 63 Cb 0.33 -0.64 0.45 0.00 -0.72 0.00 0.00 41.12 40.54 3hi2 n ASP 63 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hi2 n HIS 64 N 1.28 0.06 0.73 -0.67 1.44 -1.16 -1.61 115.22 115.29 3hi2 n HIS 64 Ca 0.22 0.02 0.12 0.00 -2.01 0.00 0.00 57.72 56.07 3hi2 n HIS 64 Cb 0.53 -0.53 0.15 0.00 0.12 0.00 0.00 29.99 30.27 3hi2 n HIS 64 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3hi2 n THR 65 N -1.55 0.18 -4.15 0.61 -2.24 -1.26 -4.80 114.28 101.06 3hi2 n THR 65 Ca 0.05 -0.17 -0.35 0.00 -2.27 0.00 0.00 64.05 61.32 3hi2 n THR 65 Cb 0.25 0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.50 3hi2 n THR 65 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3hi2 s ILE 66 N -3.11 4.58 -0.04 2.28 -1.09 -0.63 -5.10 121.20 118.08 3hi2 s ILE 66 Ca 0.07 -0.12 0.03 0.00 -2.23 0.00 0.00 60.65 58.40 3hi2 s ILE 66 Cb 0.15 -3.02 -0.03 0.00 -1.58 0.00 0.00 42.46 37.98 3hi2 s ILE 66 CO 0.74 0.52 -0.11 0.26 -1.23 0.00 0.00 174.94 175.12 3hi2 s TRP 67 N -0.07 2.80 -0.16 3.97 0.52 -1.26 -4.42 118.94 120.32 3hi2 s TRP 67 Ca 0.05 -0.08 0.01 0.00 0.02 0.00 0.00 56.10 56.10 3hi2 s TRP 67 Cb -0.12 -1.64 0.00 0.00 -1.15 0.00 0.00 33.47 30.56 3hi2 s TRP 67 CO 0.01 0.27 -0.17 -0.65 0.02 0.00 0.00 176.95 176.44 3hi2 s GLN 68 N -0.93 3.14 -0.15 4.98 -0.21 -0.04 -4.56 119.66 121.88 3hi2 s GLN 68 Ca 0.13 -0.78 -0.20 0.00 0.02 0.00 0.00 55.36 54.52 3hi2 s GLN 68 Cb -0.11 -2.59 -0.03 0.00 1.00 0.00 0.00 33.01 31.28 3hi2 s GLN 68 CO 0.02 -0.04 0.58 -0.51 -2.12 0.00 0.00 175.29 173.22 3hi2 s ASP 69 N 0.94 6.72 -0.20 5.90 1.01 0.26 -1.09 116.67 130.21 3hi2 s ASP 69 Ca -0.03 0.86 -0.06 0.00 0.71 0.00 0.00 52.55 54.03 3hi2 s ASP 69 Cb -0.15 -2.33 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 3hi2 s ASP 69 CO -0.03 -0.16 0.03 -0.69 0.21 0.00 0.00 175.17 174.53 3hi2 s VAL 70 N 1.33 4.26 0.08 -1.27 1.01 0.76 -0.37 120.40 126.20 3hi2 s VAL 70 Ca 0.29 -0.21 0.10 0.00 0.00 0.00 0.00 61.98 62.15 3hi2 s VAL 70 Cb -0.16 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 3hi2 s VAL 70 CO 0.12 0.43 -0.26 -0.31 0.00 0.00 0.00 175.10 175.08 3hi2 s TYR 71 N 0.83 2.25 -0.50 5.22 2.02 -0.18 -0.30 117.35 126.69 3hi2 s TYR 71 Ca 0.02 -0.40 0.07 0.00 -0.37 0.00 0.00 57.07 56.39 3hi2 s TYR 71 Cb -0.14 -1.29 0.26 0.00 -0.40 0.00 0.00 41.96 40.39 3hi2 s TYR 71 CO 0.02 0.21 0.64 2.89 -1.57 0.00 0.00 175.55 177.74 3hi2 n ARG 72 N 1.40 1.58 -2.23 -0.62 1.85 0.72 -0.70 116.66 118.66 3hi2 n ARG 72 Ca -0.17 -3.90 -0.36 0.00 -1.00 0.00 0.00 57.85 52.42 3hi2 n ARG 72 Cb 0.53 -1.71 0.00 0.00 -1.05 0.00 0.00 32.46 30.23 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 -1.85 3.44 -0.30 2.89 0.04 -1.17 -4.71 135.00 133.35 3hi2 s PRO 73 Ca 0.38 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 3hi2 s PRO 73 Cb 0.17 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 3hi2 s PRO 73 CO -0.07 -0.80 0.18 0.50 0.04 0.00 0.00 177.00 176.85 3hi2 s ARG 74 N -3.10 3.65 0.32 4.56 3.52 -1.26 -1.89 118.95 124.74 3hi2 s ARG 74 Ca 0.70 -0.52 0.09 0.00 -0.13 0.00 0.00 55.73 55.88 3hi2 s ARG 74 Cb -0.26 -3.63 -0.05 0.00 -1.56 0.00 0.00 34.95 29.46 3hi2 s ARG 74 CO 0.30 -0.30 0.07 -0.51 -0.81 0.00 0.00 175.30 174.05 3hi2 s LEU 75 N 1.70 3.18 0.40 -0.88 1.43 0.06 -4.97 118.68 119.60 3hi2 s LEU 75 Ca 0.06 -0.79 0.12 0.00 -1.03 0.00 0.00 54.13 52.49 3hi2 s LEU 75 Cb -0.16 -1.64 0.95 0.00 0.03 0.00 0.00 46.19 45.36 3hi2 s LEU 75 CO 0.09 -0.21 1.92 0.58 0.23 0.00 0.00 176.35 178.96 3hi2 h VAL 76 N 1.69 0.85 0.00 -1.59 2.07 -2.01 0.29 116.25 117.56 3hi2 h VAL 76 Ca -0.44 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3hi2 h VAL 76 Cb 1.25 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3hi2 h VAL 76 CO 0.63 0.10 0.00 1.07 0.02 0.00 0.00 177.57 179.39 3hi2 n THR 77 N -4.50 0.59 0.00 2.57 5.66 -1.26 -5.00 114.28 112.34 3hi2 n THR 77 Ca 0.14 0.05 0.00 0.00 -3.05 0.00 0.00 64.05 61.20 3hi2 n THR 77 Cb 0.46 -0.80 0.00 0.00 -1.55 0.00 0.00 70.33 68.43 3hi2 n THR 77 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hi2 n GLY 78 N 0.72 0.86 3.68 1.09 0.00 0.10 -5.04 105.19 106.60 3hi2 n GLY 78 Ca 0.05 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.02 4.30 -0.04 1.61 0.74 -1.26 -0.76 119.66 123.23 3hi2 s GLN 79 Ca 0.00 0.74 0.07 0.00 0.05 0.00 0.00 55.36 56.22 3hi2 s GLN 79 Cb 0.00 -3.53 -0.01 0.00 1.10 0.00 0.00 33.01 30.57 3hi2 s GLN 79 CO 0.00 -0.14 -0.25 0.14 -0.55 0.00 0.00 175.29 174.49 3hi2 s VAL 80 N 1.53 2.08 -0.38 1.34 -7.23 -0.79 -4.99 120.40 111.95 3hi2 s VAL 80 Ca 0.33 -1.08 -0.15 0.00 -1.81 0.00 0.00 61.98 59.26 3hi2 s VAL 80 Cb -0.16 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 35.05 3hi2 s VAL 80 CO 0.13 0.57 0.35 -0.31 -0.31 0.00 0.00 175.10 175.53 3hi2 s TYR 81 N -0.36 3.21 0.00 2.82 1.51 -1.26 -3.02 117.35 120.25 3hi2 s TYR 81 Ca 0.02 -0.28 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 3hi2 s TYR 81 Cb -0.12 -2.68 -0.04 0.00 -0.11 0.00 0.00 41.96 39.01 3hi2 s TYR 81 CO 0.02 -0.53 0.06 -0.51 -1.11 0.00 0.00 175.55 173.48 3hi2 s LEU 82 N 1.93 3.81 -0.11 -1.29 1.43 0.12 -2.14 118.68 122.44 3hi2 s LEU 82 Ca 0.09 0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 3hi2 s LEU 82 Cb -0.17 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.83 3hi2 s LEU 82 CO 0.12 0.27 -0.18 -0.54 0.23 0.00 0.00 176.35 176.25 3hi2 s LYS 83 N -1.74 2.47 -0.10 1.70 1.02 0.40 -1.01 119.74 122.49 3hi2 s LYS 83 Ca 0.23 -0.66 0.04 0.00 0.02 0.00 0.00 55.97 55.59 3hi2 s LYS 83 Cb -0.12 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 3hi2 s LYS 83 CO 0.14 0.01 -0.23 0.42 -0.92 0.00 0.00 175.35 174.77 3hi2 s ILE 84 N 0.76 1.98 -0.03 2.17 1.01 0.50 -0.66 121.20 126.93 3hi2 s ILE 84 Ca -0.11 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 59.62 3hi2 s ILE 84 Cb -0.16 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 3hi2 s ILE 84 CO 0.02 0.54 -0.17 -0.89 0.00 0.00 0.00 174.94 174.43 3hi2 s THR 85 N 0.35 1.41 -0.33 2.92 2.01 -0.57 -0.57 115.64 120.85 3hi2 s THR 85 Ca -0.18 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 60.97 3hi2 s THR 85 Cb -0.18 -1.19 -0.00 0.00 0.01 0.00 0.00 72.50 71.14 3hi2 s THR 85 CO 0.08 0.40 0.20 -0.69 -0.69 0.00 0.00 174.62 173.92 3hi2 s VAL 86 N -0.22 4.84 -0.19 3.82 1.01 -1.26 -0.02 120.40 128.39 3hi2 s VAL 86 Ca 0.02 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3hi2 s VAL 86 Cb -0.09 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.80 3hi2 s VAL 86 CO 0.01 -0.02 -0.19 -0.63 0.00 0.00 0.00 175.10 174.27 3hi2 s ILE 87 N 1.64 2.06 -1.13 2.22 -1.09 -0.25 -4.84 121.20 119.81 3hi2 s ILE 87 Ca 0.05 -1.03 -0.31 0.00 -2.23 0.00 0.00 60.65 57.12 3hi2 s ILE 87 Cb -0.18 -1.91 0.04 0.00 -1.58 0.00 0.00 42.46 38.84 3hi2 s ILE 87 CO 0.08 0.46 0.64 1.41 -1.23 0.00 0.00 174.94 176.30 3hi2 n HIS 88 N 4.60 -1.36 -2.30 3.97 8.25 -1.26 -1.40 115.22 125.72 3hi2 n HIS 88 Ca -0.20 0.11 -0.19 0.00 -0.26 0.00 0.00 57.72 57.17 3hi2 n HIS 88 Cb 0.49 -2.63 -0.02 0.00 1.12 0.00 0.00 29.99 28.95 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 -2.03 -5.47 -4.00 0.41 8.00 -1.26 -4.99 116.55 107.20 3hi2 n ASP 89 Ca -0.12 0.08 -0.25 0.00 0.71 0.00 0.00 54.79 55.21 3hi2 n ASP 89 Cb 0.55 -4.60 -0.17 0.00 -0.02 0.00 0.00 41.12 36.88 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 -2.92 1.11 -0.12 2.53 1.01 -0.49 -4.87 120.40 116.66 3hi2 s VAL 90 Ca 0.00 -0.44 -0.26 0.00 0.00 0.00 0.00 61.98 61.28 3hi2 s VAL 90 Cb 0.00 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 3hi2 s VAL 90 CO 0.00 0.36 0.84 -0.22 0.00 0.00 0.00 175.10 176.08 3hi2 s LEU 91 N 0.84 4.24 -0.22 3.92 2.96 -0.10 -1.10 118.68 129.22 3hi2 s LEU 91 Ca -0.11 1.29 -0.06 0.00 -0.22 0.00 0.00 54.13 55.03 3hi2 s LEU 91 Cb -0.15 -3.28 -0.02 0.00 0.50 0.00 0.00 46.19 43.23 3hi2 s LEU 91 CO 0.02 -0.32 0.01 -0.63 -1.32 0.00 0.00 176.35 174.11 3hi2 s ILE 92 N 1.67 3.95 -0.12 6.68 -1.09 0.97 -0.04 121.20 133.22 3hi2 s ILE 92 Ca 0.41 -0.30 -0.00 0.00 -2.23 0.00 0.00 60.65 58.53 3hi2 s ILE 92 Cb -0.18 -2.81 -0.02 0.00 -1.58 0.00 0.00 42.46 37.87 3hi2 s ILE 92 CO 0.16 0.40 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.46 3hi2 s VAL 93 N 1.32 3.20 0.32 2.92 1.01 -0.30 -1.52 120.40 127.35 3hi2 s VAL 93 Ca 0.04 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3hi2 s VAL 93 Cb -0.15 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 3hi2 s VAL 93 CO 0.01 0.53 0.15 -0.94 0.00 0.00 0.00 175.10 174.85 3hi2 s SER 94 N 0.15 1.77 0.10 3.32 1.04 0.16 -2.44 113.70 117.80 3hi2 s SER 94 Ca -0.06 -1.56 0.07 0.00 0.48 0.00 0.00 55.95 54.88 3hi2 s SER 94 Cb -0.15 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 3hi2 s SER 94 CO 0.04 -0.87 -0.12 -0.36 0.98 0.00 0.00 173.24 172.91 3hi2 s PHE 95 N -3.53 2.69 0.26 5.02 2.99 -1.26 -0.46 117.98 123.69 3hi2 s PHE 95 Ca 0.34 -0.18 -0.31 0.00 0.00 0.00 0.00 56.93 56.78 3hi2 s PHE 95 Cb 0.05 -1.43 -0.13 0.00 0.00 0.00 0.00 43.02 41.51 3hi2 s PHE 95 CO 0.17 0.40 1.44 1.63 -0.00 0.00 0.00 175.22 178.86 3hi2 n LYS 96 N 0.85 2.19 0.00 0.44 4.76 -0.91 -4.86 118.16 120.63 3hi2 n LYS 96 Ca -0.14 0.78 0.03 0.00 -2.87 0.00 0.00 58.31 56.11 3hi2 n LYS 96 Cb 0.52 -2.46 0.21 0.00 -1.84 0.00 0.00 35.03 31.46 3hi2 n LYS 96 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42