#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hc5 s ASN 2 N 0.00 6.22 0.15 -1.43 4.22 -1.26 -4.72 114.94 118.12 2hc5 s ASN 2 Ca 0.00 0.24 0.22 0.00 -2.14 0.00 0.00 52.86 51.18 2hc5 s ASN 2 Cb 0.00 -2.15 -0.07 0.00 1.28 0.00 0.00 41.25 40.31 2hc5 s ASN 2 CO 0.00 -0.00 0.93 0.00 -2.04 0.00 0.00 177.10 175.98 2hc5 n ILE 3 N 4.42 0.63 0.31 0.54 3.06 -1.26 -4.20 119.36 122.85 2hc5 n ILE 3 Ca -0.12 -0.57 0.18 0.00 -2.50 0.00 0.00 62.75 59.73 2hc5 n ILE 3 Cb 0.52 -0.35 0.98 0.00 0.54 0.00 0.00 39.64 41.33 2hc5 n ILE 3 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 2hc5 h GLU 4 N 0.00 0.00 0.00 9.51 5.08 -1.92 -1.27 114.58 125.98 2hc5 h GLU 4 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2hc5 h GLU 4 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2hc5 h GLU 4 CO 0.01 0.02 -0.11 0.54 -1.00 0.00 0.00 179.01 178.47 2hc5 n ARG 5 N -3.52 1.02 -2.59 2.33 1.74 -1.26 -4.15 116.66 110.22 2hc5 n ARG 5 Ca -0.03 -2.24 -0.43 0.00 -0.77 0.00 0.00 57.85 54.39 2hc5 n ARG 5 Cb 0.11 -1.29 -0.02 0.00 -1.02 0.00 0.00 32.46 30.25 2hc5 n ARG 5 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2hc5 s LEU 6 N -2.26 4.02 0.00 0.55 2.96 -0.48 -4.80 118.68 118.67 2hc5 s LEU 6 Ca 0.25 1.26 0.00 0.00 -0.22 0.00 0.00 54.13 55.42 2hc5 s LEU 6 Cb 0.22 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.37 2hc5 s LEU 6 CO 0.02 -0.82 0.21 1.07 -1.32 0.00 0.00 176.35 175.51 2hc5 n THR 7 N 5.66 0.02 -4.77 3.68 5.66 -1.26 -0.40 114.28 122.87 2hc5 n THR 7 Ca 0.13 -0.19 -0.33 0.00 -3.05 0.00 0.00 64.05 60.61 2hc5 n THR 7 Cb 0.46 1.60 -0.14 0.00 -1.55 0.00 0.00 70.33 70.70 2hc5 n THR 7 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2hc5 s THR 8 N -0.02 3.11 -0.20 1.09 -1.32 -1.26 -4.74 115.64 112.30 2hc5 s THR 8 Ca 0.00 -0.65 0.14 0.00 -1.21 0.00 0.00 61.69 59.97 2hc5 s THR 8 Cb 0.00 -2.30 0.31 0.00 -1.51 0.00 0.00 72.50 69.00 2hc5 s THR 8 CO 0.00 0.53 1.21 0.18 -2.21 0.00 0.00 174.62 174.33 2hc5 n LEU 9 N 3.33 2.78 -0.09 9.08 4.77 -1.26 -4.76 117.00 130.86 2hc5 n LEU 9 Ca -0.18 -2.77 -0.08 0.00 -0.03 0.00 0.00 56.01 52.95 2hc5 n LEU 9 Cb 0.53 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2hc5 n LEU 9 CO 0.30 0.67 0.97 -0.61 -1.33 0.00 0.00 177.39 177.38 2hc5 h GLN 10 N 0.71 0.32 -0.16 3.23 5.75 -1.99 -0.54 115.11 122.44 2hc5 h GLN 10 Ca 0.00 -0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.53 2hc5 h GLN 10 Cb 1.01 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.48 2hc5 h GLN 10 CO 0.06 0.21 0.15 -1.35 -2.65 0.00 0.00 178.83 175.26 2hc5 h PRO 11 N 0.33 0.00 -0.08 -2.39 0.11 -1.99 0.13 132.00 128.11 2hc5 h PRO 11 Ca 0.13 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.14 2hc5 h PRO 11 Cb 0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.15 2hc5 h PRO 11 CO -0.09 0.00 -0.31 0.28 -0.21 0.00 0.00 178.00 177.67 2hc5 h VAL 12 N 0.00 1.41 -0.67 3.15 2.07 -1.47 -0.45 116.25 120.29 2hc5 h VAL 12 Ca 0.07 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 65.88 2hc5 h VAL 12 Cb 0.38 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 2hc5 h VAL 12 CO -0.00 0.49 0.29 -0.50 0.02 0.00 0.00 177.57 177.86 2hc5 h TRP 13 N -0.11 0.98 -0.09 1.57 -0.00 -0.33 0.39 115.95 118.37 2hc5 h TRP 13 Ca -0.02 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.89 58.82 2hc5 h TRP 13 Cb 0.95 -0.30 -0.00 0.00 -0.00 0.00 0.00 29.16 29.80 2hc5 h TRP 13 CO 0.12 0.74 0.05 0.22 -0.00 0.00 0.00 178.44 179.57 2hc5 h ASP 14 N 0.96 0.11 0.13 -3.49 1.82 -0.71 -0.34 116.42 114.90 2hc5 h ASP 14 Ca 0.23 -0.06 -0.10 0.00 -0.39 0.00 0.00 57.03 56.71 2hc5 h ASP 14 Cb 0.16 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.13 2hc5 h ASP 14 CO -0.02 0.14 -0.35 -0.09 -1.61 0.00 0.00 179.24 177.30 2hc5 h ARG 15 N 0.07 0.31 -0.11 0.28 2.43 -0.74 -1.28 114.38 115.34 2hc5 h ARG 15 Ca 0.03 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2hc5 h ARG 15 Cb 0.05 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2hc5 h ARG 15 CO -0.01 0.63 0.02 -0.92 -1.51 0.00 0.00 179.97 178.19 2hc5 h TYR 16 N 0.27 0.04 -0.89 2.20 3.20 0.10 0.10 116.97 121.99 2hc5 h TYR 16 Ca 0.03 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.93 2hc5 h TYR 16 Cb 0.75 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.97 2hc5 h TYR 16 CO 0.02 0.01 0.58 0.22 -1.64 0.00 0.00 178.16 177.35 2hc5 h ASP 17 N 0.07 0.99 0.64 -2.11 3.58 -0.78 0.25 116.42 119.06 2hc5 h ASP 17 Ca 0.05 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 2hc5 h ASP 17 Cb 0.04 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 40.85 2hc5 h ASP 17 CO -0.07 0.70 -0.14 0.74 -2.88 0.00 0.00 179.24 177.60 2hc5 h THR 18 N 1.17 0.45 0.00 2.25 2.02 -0.58 0.57 112.91 118.79 2hc5 h THR 18 Ca 0.34 -0.72 -0.14 0.00 0.77 0.00 0.00 66.41 66.66 2hc5 h THR 18 Cb -0.07 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2hc5 h THR 18 CO -0.09 0.13 -0.82 1.56 0.37 0.00 0.00 175.52 176.67 2hc5 h GLN 19 N 0.00 0.00 -0.51 6.66 1.08 -0.02 -3.35 115.11 118.97 2hc5 h GLN 19 Ca -0.00 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.30 2hc5 h GLN 19 Cb 0.49 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.84 2hc5 h GLN 19 CO 0.02 0.87 0.01 0.82 -0.95 0.00 0.00 178.83 179.60 2hc5 h ILE 20 N -1.00 0.61 0.00 2.54 1.08 -0.37 -0.65 117.51 119.72 2hc5 h ILE 20 Ca -0.21 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 2hc5 h ILE 20 Cb 1.10 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 2hc5 h ILE 20 CO -0.13 0.02 0.00 0.00 -0.69 0.00 0.00 178.15 177.35 2hc5 n HIS 21 N -5.22 0.00 0.20 1.37 1.44 0.18 -2.62 115.22 110.56 2hc5 n HIS 21 Ca 0.06 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.81 2hc5 n HIS 21 Cb 0.27 -0.29 -0.06 0.00 0.12 0.00 0.00 29.99 30.03 2hc5 n HIS 21 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 2hc5 n ASN 22 N -1.29 1.70 -2.97 4.39 4.05 -0.39 -5.04 115.26 115.71 2hc5 n ASN 22 Ca 0.10 -0.35 -0.10 0.00 0.45 0.00 0.00 54.58 54.69 2hc5 n ASN 22 Cb 0.18 1.21 0.01 0.00 1.23 0.00 0.00 39.78 42.41 2hc5 n ASN 22 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2hc5 n GLN 23 N -1.51 -2.13 -3.88 1.20 3.00 -0.40 -5.00 117.38 108.65 2hc5 n GLN 23 Ca -0.00 1.92 -0.31 0.00 -0.01 0.00 0.00 57.00 58.60 2hc5 n GLN 23 Cb 0.19 -5.32 -0.04 0.00 0.00 0.00 0.00 30.24 25.07 2hc5 n GLN 23 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2hc5 s LYS 24 N -2.72 3.47 -0.28 -1.09 -0.14 -1.16 -5.06 119.74 112.76 2hc5 s LYS 24 Ca 0.21 -0.39 -0.04 0.00 -1.36 0.00 0.00 55.97 54.40 2hc5 s LYS 24 Cb -0.05 -3.00 0.10 0.00 -1.68 0.00 0.00 37.83 33.20 2hc5 s LYS 24 CO 0.78 0.58 0.15 0.34 -0.76 0.00 0.00 175.35 176.44 2hc5 s ASP 25 N -2.54 3.10 0.03 2.83 2.15 -1.26 -4.75 116.67 116.22 2hc5 s ASP 25 Ca 0.36 -1.12 -0.30 0.00 0.43 0.00 0.00 52.55 51.92 2hc5 s ASP 25 Cb -0.13 -0.19 -0.04 0.00 -0.30 0.00 0.00 42.92 42.27 2hc5 s ASP 25 CO 0.27 -0.42 0.99 0.20 -0.17 0.00 0.00 175.17 176.04 2hc5 s ASN 26 N 2.15 7.38 -0.90 -0.34 -0.87 -1.26 -4.98 114.94 116.12 2hc5 s ASN 26 Ca 0.08 1.71 -0.22 0.00 -1.57 0.00 0.00 52.86 52.86 2hc5 s ASN 26 Cb -0.16 -2.57 0.07 0.00 -0.02 0.00 0.00 41.25 38.57 2hc5 s ASN 26 CO -0.33 -0.23 1.26 -1.81 -2.57 0.00 0.00 177.10 173.42 2hc5 s ASP 27 N 0.79 6.43 0.65 -1.22 1.01 -1.26 -5.01 116.67 118.06 2hc5 s ASP 27 Ca 0.51 -1.38 -0.13 0.00 0.71 0.00 0.00 52.55 52.25 2hc5 s ASP 27 Cb -0.22 -2.50 -0.01 0.00 1.01 0.00 0.00 42.92 41.20 2hc5 s ASP 27 CO 0.29 -1.43 1.06 0.20 0.21 0.00 0.00 175.17 175.50 2hc5 s ASN 28 N 4.22 5.49 0.00 0.27 0.01 -1.26 -4.92 114.94 118.75 2hc5 s ASN 28 Ca 0.37 1.76 0.09 0.00 -0.71 0.00 0.00 52.86 54.37 2hc5 s ASN 28 Cb -0.05 -2.52 0.45 0.00 0.41 0.00 0.00 41.25 39.54 2hc5 s ASN 28 CO -0.03 -1.37 1.30 -0.62 -1.51 0.00 0.00 177.10 174.88 2hc5 n GLU 29 N -2.58 1.23 -5.24 -0.60 1.02 -1.26 -4.61 120.64 108.60 2hc5 n GLU 29 Ca 0.08 -0.35 -0.31 0.00 -0.02 0.00 0.00 57.16 56.56 2hc5 n GLU 29 Cb 0.53 -1.17 -0.16 0.00 -0.02 0.00 0.00 31.44 30.61 2hc5 n GLU 29 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2hc5 s VAL 30 N -1.89 2.01 -1.11 2.62 0.11 -1.26 -5.05 120.40 115.83 2hc5 s VAL 30 Ca 0.16 -1.05 -0.25 0.00 -2.93 0.00 0.00 61.98 57.91 2hc5 s VAL 30 Cb 0.08 -1.70 -0.15 0.00 -1.53 0.00 0.00 36.38 33.08 2hc5 s VAL 30 CO 0.12 0.56 2.04 -2.16 -3.33 0.00 0.00 175.10 172.32 2hc5 s PRO 31 N -0.19 1.88 -0.26 1.54 0.04 -1.26 -4.84 135.00 131.91 2hc5 s PRO 31 Ca -0.02 -0.72 0.02 0.00 0.04 0.00 0.00 61.00 60.31 2hc5 s PRO 31 Cb -0.13 -5.10 0.06 0.00 0.04 0.00 0.00 34.50 29.37 2hc5 s PRO 31 CO 0.03 -4.63 -0.06 0.08 0.04 0.00 0.00 177.00 172.45 2hc5 s VAL 32 N 13.75 1.82 0.00 -0.36 1.01 -1.26 -4.89 120.40 130.47 2hc5 s VAL 32 Ca 0.75 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2hc5 s VAL 32 Cb -0.03 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.29 2hc5 s VAL 32 CO 0.14 -0.13 0.67 0.00 0.00 0.00 0.00 175.10 175.78 2hc5 n HIS 33 N 4.55 0.00 -3.53 5.22 1.44 -1.26 -4.75 115.22 116.89 2hc5 n HIS 33 Ca -0.11 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.42 2hc5 n HIS 33 Cb 0.43 0.02 -0.06 0.00 0.12 0.00 0.00 29.99 30.50 2hc5 n HIS 33 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 2hc5 s GLN 34 N 0.00 1.03 -0.21 -1.40 1.03 -1.26 -5.15 119.66 113.69 2hc5 s GLN 34 Ca 0.00 0.29 -0.04 0.00 0.04 0.00 0.00 55.36 55.65 2hc5 s GLN 34 Cb 0.00 0.49 -0.01 0.00 0.03 0.00 0.00 33.01 33.52 2hc5 s GLN 34 CO 0.00 -0.31 -0.04 0.08 -2.54 0.00 0.00 175.29 172.47 2hc5 s VAL 35 N -1.12 3.43 0.32 3.63 1.01 -1.26 -5.07 120.40 121.33 2hc5 s VAL 35 Ca -0.10 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.47 2hc5 s VAL 35 Cb -0.00 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 2hc5 s VAL 35 CO 0.09 0.43 0.39 -0.55 0.00 0.00 0.00 175.10 175.46 2hc5 s SER 36 N 1.37 5.80 0.29 3.32 0.15 -1.26 -4.99 113.70 118.37 2hc5 s SER 36 Ca 0.04 -0.24 -0.02 0.00 0.70 0.00 0.00 55.95 56.43 2hc5 s SER 36 Cb -0.14 -1.25 0.41 0.00 -1.71 0.00 0.00 66.02 63.33 2hc5 s SER 36 CO -0.02 -0.34 1.89 0.22 1.20 0.00 0.00 173.24 176.18 2hc5 h TYR 37 N 1.06 0.96 -0.77 3.44 3.20 -2.00 -1.31 116.97 121.56 2hc5 h TYR 37 Ca -0.46 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.34 2hc5 h TYR 37 Cb 1.25 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 39.18 2hc5 h TYR 37 CO 0.46 0.70 0.36 1.15 -1.64 0.00 0.00 178.16 179.20 2hc5 h THR 38 N 0.97 1.25 -0.71 1.81 2.02 -1.99 -2.75 112.91 113.50 2hc5 h THR 38 Ca 0.24 -0.70 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 2hc5 h THR 38 Cb 0.09 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 2hc5 h THR 38 CO -0.03 0.29 0.28 -1.13 0.37 0.00 0.00 175.52 175.30 2hc5 h ASN 39 N 1.08 0.97 0.11 4.18 -0.00 -1.64 0.16 115.58 120.43 2hc5 h ASN 39 Ca 0.26 -0.14 -0.01 0.00 -0.00 0.00 0.00 56.30 56.41 2hc5 h ASN 39 Cb 0.13 -0.25 0.00 0.00 -0.00 0.00 0.00 38.32 38.20 2hc5 h ASN 39 CO -0.03 0.87 -0.05 -0.07 -0.00 0.00 0.00 177.43 178.14 2hc5 h LEU 40 N 1.03 -0.12 -0.83 0.34 3.38 -1.29 0.96 115.31 118.77 2hc5 h LEU 40 Ca 0.24 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2hc5 h LEU 40 Cb 0.20 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2hc5 h LEU 40 CO -0.02 0.12 0.49 0.00 0.09 0.00 0.00 178.44 179.13 2hc5 h ALA 41 N 0.49 1.06 -0.12 1.53 0.00 -1.15 0.90 119.26 121.96 2hc5 h ALA 41 Ca -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2hc5 h ALA 41 Cb 0.31 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2hc5 h ALA 41 CO 0.02 0.53 -0.03 0.93 0.00 0.00 0.00 179.25 180.71 2hc5 h GLU 42 N 1.14 0.24 0.09 0.00 4.39 -0.68 -2.43 114.58 117.33 2hc5 h GLU 42 Ca 0.30 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 2hc5 h GLU 42 Cb -0.03 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2hc5 h GLU 42 CO -0.05 0.53 -0.04 1.98 -1.16 0.00 0.00 179.01 180.26 2hc5 h MET 43 N -0.07 -0.12 -0.05 2.33 4.05 -0.46 -2.72 114.93 117.88 2hc5 h MET 43 Ca 0.03 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 2hc5 h MET 43 Cb 0.44 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 2hc5 h MET 43 CO 0.01 0.09 -0.08 0.28 0.23 0.00 0.00 176.91 177.44 2hc5 h VAL 44 N -0.32 1.09 0.26 -5.77 2.07 -0.92 0.12 116.25 112.78 2hc5 h VAL 44 Ca -0.01 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2hc5 h VAL 44 Cb 0.27 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2hc5 h VAL 44 CO 0.02 0.13 -0.18 1.23 0.02 0.00 0.00 177.57 178.79 2hc5 h GLY 45 N 0.40 -0.43 1.74 2.17 0.00 -1.12 -2.71 103.07 103.12 2hc5 h GLY 45 Ca 0.02 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2hc5 h GLY 45 CO 0.01 -0.18 -0.25 1.05 0.00 0.00 0.00 176.54 177.17 2hc5 h GLU 46 N -0.43 0.00 -1.00 4.80 4.11 -1.37 -3.29 114.58 117.41 2hc5 h GLU 46 Ca -0.02 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.44 2hc5 h GLU 46 Cb 0.37 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 2hc5 h GLU 46 CO 0.01 0.00 0.65 1.98 0.07 0.00 0.00 179.01 181.72 2hc5 h MET 47 N 0.00 1.25 0.00 1.06 4.05 -0.50 0.84 114.93 121.63 2hc5 h MET 47 Ca 0.00 -0.08 -0.06 0.00 -0.28 0.00 0.00 59.70 59.29 2hc5 h MET 47 Cb 0.96 -0.28 -0.01 0.00 -0.80 0.00 0.00 31.60 31.47 2hc5 h MET 47 CO 0.00 0.83 -0.28 -0.91 0.23 0.00 0.00 176.91 176.78 2hc5 h ASN 48 N 1.29 0.00 1.55 1.39 2.35 -1.55 -3.00 115.58 117.60 2hc5 h ASN 48 Ca 0.39 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.08 2hc5 h ASN 48 Cb -0.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2hc5 h ASN 48 CO -0.11 0.28 -0.46 0.11 -1.65 0.00 0.00 177.43 175.60 2hc5 h LYS 49 N 0.00 0.00 0.00 0.81 1.57 -1.03 -2.86 116.57 115.05 2hc5 h LYS 49 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hc5 h LYS 49 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2hc5 h LYS 49 CO 0.04 0.24 0.00 -0.07 -0.57 0.00 0.00 179.45 179.09 2hc5 h LEU 50 N 0.00 0.00 -1.37 2.94 3.38 -0.86 -2.59 115.31 116.81 2hc5 h LEU 50 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2hc5 h LEU 50 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2hc5 h LEU 50 CO 0.03 0.00 -0.02 0.18 0.09 0.00 0.00 178.44 178.72 2hc5 n LEU 51 N -2.91 1.87 0.10 1.67 4.77 -1.16 -4.63 117.00 116.71 2hc5 n LEU 51 Ca 0.00 -0.98 -0.13 0.00 -0.03 0.00 0.00 56.01 54.87 2hc5 n LEU 51 Cb 0.25 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.27 2hc5 n LEU 51 CO 0.24 0.36 0.82 -0.33 -1.33 0.00 0.00 177.39 177.15 2hc5 h GLU 52 N 2.10 -0.18 -0.98 3.23 5.08 -1.23 -2.72 114.58 119.88 2hc5 h GLU 52 Ca 0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2hc5 h GLU 52 Cb 0.46 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2hc5 h GLU 52 CO 0.00 -0.12 0.01 -0.35 -1.00 0.00 0.00 179.01 177.55 2hc5 n PRO 53 N -5.17 1.17 -3.73 2.33 -0.04 -1.26 -4.82 135.00 123.48 2hc5 n PRO 53 Ca -0.08 -0.17 -0.20 0.00 -0.04 0.00 0.00 63.50 63.01 2hc5 n PRO 53 Cb 0.10 -1.39 -0.05 0.00 -0.04 0.00 0.00 33.50 32.12 2hc5 n PRO 53 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2hc5 n SER 54 N 0.15 2.51 -0.14 3.54 3.41 -1.03 -3.28 113.62 118.78 2hc5 n SER 54 Ca 0.02 -2.46 0.12 0.00 -0.26 0.00 0.00 58.87 56.29 2hc5 n SER 54 Cb 0.38 0.34 0.30 0.00 -0.26 0.00 0.00 64.21 64.97 2hc5 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hc5 n GLN 55 N -0.78 0.48 -2.51 4.33 1.13 0.46 -4.81 117.38 115.67 2hc5 n GLN 55 Ca -0.12 -0.29 -0.42 0.00 -1.94 0.00 0.00 57.00 54.24 2hc5 n GLN 55 Cb 0.42 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.25 2hc5 n GLN 55 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2hc5 s VAL 56 N -2.72 3.91 -1.15 5.09 1.01 -1.14 -4.86 120.40 120.54 2hc5 s VAL 56 Ca 0.18 0.78 -0.09 0.00 0.00 0.00 0.00 61.98 62.85 2hc5 s VAL 56 Cb 0.18 -4.64 0.25 0.00 0.00 0.00 0.00 36.38 32.18 2hc5 s VAL 56 CO 0.61 -1.32 1.34 1.41 0.00 0.00 0.00 175.10 177.14 2hc5 n HIS 57 N 8.94 4.31 -4.91 5.22 8.25 -1.26 -4.73 115.22 131.04 2hc5 n HIS 57 Ca 0.09 -3.39 -0.33 0.00 -0.26 0.00 0.00 57.72 53.84 2hc5 n HIS 57 Cb 0.49 -1.73 -0.15 0.00 1.12 0.00 0.00 29.99 29.73 2hc5 n HIS 57 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2hc5 s LEU 58 N -0.93 2.58 -0.24 2.41 1.02 -1.26 -0.55 118.68 121.71 2hc5 s LEU 58 Ca 0.34 -0.34 -0.02 0.00 0.02 0.00 0.00 54.13 54.13 2hc5 s LEU 58 Cb -0.03 -1.55 0.01 0.00 0.02 0.00 0.00 46.19 44.64 2hc5 s LEU 58 CO -0.01 0.22 -0.05 -0.54 0.02 0.00 0.00 176.35 175.98 2hc5 s LYS 59 N 0.01 3.01 -0.23 1.70 1.02 0.17 -4.92 119.74 120.50 2hc5 s LYS 59 Ca -0.05 -0.86 -0.16 0.00 0.02 0.00 0.00 55.97 54.92 2hc5 s LYS 59 Cb -0.15 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 2hc5 s LYS 59 CO 0.04 -0.34 0.42 -0.06 -0.92 0.00 0.00 175.35 174.49 2hc5 s PHE 60 N 1.38 3.31 -0.05 3.18 0.08 -1.26 -0.74 117.98 123.88 2hc5 s PHE 60 Ca 0.02 0.56 0.06 0.00 0.12 0.00 0.00 56.93 57.69 2hc5 s PHE 60 Cb -0.16 -2.58 -0.01 0.00 -0.57 0.00 0.00 43.02 39.70 2hc5 s PHE 60 CO -0.04 -0.13 -0.25 -1.21 -0.10 0.00 0.00 175.22 173.49 2hc5 s GLU 61 N 1.75 2.49 -0.40 0.44 2.02 -0.87 -4.97 118.70 119.17 2hc5 s GLU 61 Ca 0.18 -0.90 -0.27 0.00 0.02 0.00 0.00 54.97 54.01 2hc5 s GLU 61 Cb -0.15 -2.16 0.02 0.00 0.10 0.00 0.00 34.13 31.94 2hc5 s GLU 61 CO 0.09 0.42 0.99 -1.17 0.02 0.00 0.00 175.26 175.61 2hc5 s LEU 62 N -0.25 3.91 0.01 1.80 2.96 -1.26 -1.59 118.68 124.26 2hc5 s LEU 62 Ca -0.01 0.57 0.08 0.00 -0.22 0.00 0.00 54.13 54.55 2hc5 s LEU 62 Cb -0.13 -3.36 -0.02 0.00 0.50 0.00 0.00 46.19 43.18 2hc5 s LEU 62 CO 0.03 -0.97 -0.24 -1.00 -1.32 0.00 0.00 176.35 172.85 2hc5 s HIS 63 N 3.75 2.09 0.38 5.38 3.76 -0.50 -4.95 115.29 125.19 2hc5 s HIS 63 Ca 0.41 -0.39 -0.05 0.00 -0.15 0.00 0.00 55.06 54.88 2hc5 s HIS 63 Cb -0.11 -1.31 -0.04 0.00 1.11 0.00 0.00 32.58 32.23 2hc5 s HIS 63 CO 0.22 0.03 0.66 0.16 -0.85 0.00 0.00 174.74 174.95 2hc5 s ASP 64 N -0.83 6.37 -0.48 1.40 -4.77 -1.26 -1.23 116.67 115.88 2hc5 s ASP 64 Ca 0.09 0.78 0.05 0.00 -3.30 0.00 0.00 52.55 50.18 2hc5 s ASP 64 Cb -0.09 -2.18 0.19 0.00 -1.09 0.00 0.00 42.92 39.75 2hc5 s ASP 64 CO 0.00 -0.37 0.42 1.17 0.70 0.00 0.00 175.17 177.10 2hc5 n LYS 65 N -1.60 0.72 0.00 2.11 4.81 0.17 -4.92 118.16 119.44 2hc5 n LYS 65 Ca -0.01 -3.51 0.00 0.00 -0.87 0.00 0.00 58.31 53.92 2hc5 n LYS 65 Cb 0.55 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.86 2hc5 n LYS 65 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2hc5 n LEU 66 N 2.31 0.00 0.00 3.14 0.00 -1.26 -1.65 117.00 119.54 2hc5 n LEU 66 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.28 2hc5 n LEU 66 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.88 2hc5 n LEU 66 CO 0.15 0.00 -0.22 -3.20 0.00 0.00 0.00 177.39 174.12 2hc5 n ASN 67 N 1.75 2.17 -4.86 1.96 5.15 -1.26 -5.10 115.26 115.07 2hc5 n ASN 67 Ca 0.00 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.74 2hc5 n ASN 67 Cb 0.00 0.26 0.07 0.00 -0.53 0.00 0.00 39.78 39.58 2hc5 n ASN 67 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2hc5 s GLU 68 N -1.34 2.13 -0.11 1.20 0.41 -0.66 -5.10 118.70 115.24 2hc5 s GLU 68 Ca 0.00 -0.53 -0.04 0.00 -0.41 0.00 0.00 54.97 54.00 2hc5 s GLU 68 Cb 0.00 -2.26 0.05 0.00 -1.78 0.00 0.00 34.13 30.14 2hc5 s GLU 68 CO 0.00 -1.19 0.17 0.71 -0.49 0.00 0.00 175.26 174.46 2hc5 s TYR 69 N -3.13 -0.19 0.26 1.61 1.51 -1.26 0.42 117.35 116.57 2hc5 s TYR 69 Ca 0.61 0.55 0.08 0.00 -1.01 0.00 0.00 57.07 57.29 2hc5 s TYR 69 Cb -0.10 -0.28 -0.05 0.00 -0.11 0.00 0.00 41.96 41.42 2hc5 s TYR 69 CO 0.43 -0.33 -0.10 1.52 -1.11 0.00 0.00 175.55 175.97 2hc5 s TYR 70 N 2.30 1.94 -0.33 2.71 1.13 -0.36 -4.53 117.35 120.21 2hc5 s TYR 70 Ca 0.03 -0.62 -0.13 0.00 -1.41 0.00 0.00 57.07 54.95 2hc5 s TYR 70 Cb -0.13 -1.03 -0.02 0.00 -1.10 0.00 0.00 41.96 39.69 2hc5 s TYR 70 CO -0.07 0.36 0.24 0.08 -2.51 0.00 0.00 175.55 173.65 2hc5 s VAL 71 N -2.93 5.28 -0.09 -3.49 1.01 -0.70 -1.41 120.40 118.08 2hc5 s VAL 71 Ca 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 2hc5 s VAL 71 Cb 0.02 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2hc5 s VAL 71 CO 0.11 0.02 -0.03 -1.59 0.00 0.00 0.00 175.10 173.61 2hc5 s LYS 72 N 1.74 3.01 -0.34 2.72 -2.85 -0.62 -0.83 119.74 122.57 2hc5 s LYS 72 Ca 0.07 -0.47 -0.18 0.00 -1.00 0.00 0.00 55.97 54.39 2hc5 s LYS 72 Cb -0.17 -2.75 -0.01 0.00 -2.06 0.00 0.00 37.83 32.85 2hc5 s LYS 72 CO 0.11 0.62 0.49 0.08 0.10 0.00 0.00 175.35 176.75 2hc5 s VAL 73 N -0.68 5.04 -0.34 1.79 1.01 0.12 -2.04 120.40 125.30 2hc5 s VAL 73 Ca 0.11 0.35 -0.08 0.00 0.00 0.00 0.00 61.98 62.36 2hc5 s VAL 73 Cb -0.12 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.36 2hc5 s VAL 73 CO 0.02 -0.17 0.14 -0.63 0.00 0.00 0.00 175.10 174.46 2hc5 s ILE 74 N 2.34 4.16 0.01 2.22 1.01 0.08 -0.94 121.20 130.09 2hc5 s ILE 74 Ca 0.18 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.65 2hc5 s ILE 74 Cb -0.16 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 2hc5 s ILE 74 CO 0.13 -0.12 1.01 -0.70 0.00 0.00 0.00 174.94 175.26 2hc5 s GLU 75 N 1.49 4.55 0.40 2.79 2.12 -0.74 0.43 118.70 129.73 2hc5 s GLU 75 Ca 0.01 1.47 0.22 0.00 0.36 0.00 0.00 54.97 57.03 2hc5 s GLU 75 Cb -0.19 -3.44 0.53 0.00 0.26 0.00 0.00 34.13 31.30 2hc5 s GLU 75 CO 0.04 -0.07 1.66 0.22 -0.54 0.00 0.00 175.26 176.58 2hc5 h ASP 76 N 6.75 0.00 -0.13 -1.70 3.58 -1.14 0.56 116.42 124.34 2hc5 h ASP 76 Ca -0.41 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.03 2hc5 h ASP 76 Cb 1.22 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 2hc5 h ASP 76 CO 0.76 0.24 0.05 0.28 -2.88 0.00 0.00 179.24 177.68 2hc5 h SER 77 N 0.00 0.18 0.88 2.28 0.02 -1.92 -3.11 113.55 111.88 2hc5 h SER 77 Ca -0.00 -0.18 -0.10 0.00 -0.84 0.00 0.00 61.79 60.67 2hc5 h SER 77 Cb 1.00 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 2hc5 h SER 77 CO 0.03 0.31 -1.18 0.71 -1.14 0.00 0.00 176.83 175.56 2hc5 h THR 78 N 0.04 0.31 -0.86 -2.27 1.35 -1.94 -3.48 112.91 106.06 2hc5 h THR 78 Ca 0.04 -1.60 -0.22 0.00 -0.55 0.00 0.00 66.41 64.09 2hc5 h THR 78 Cb 0.19 1.84 -0.06 0.00 -1.73 0.00 0.00 68.15 68.40 2hc5 h THR 78 CO -0.00 0.18 -0.23 -3.20 -0.25 0.00 0.00 175.52 172.02 2hc5 n ASN 79 N -2.83 -4.03 -4.08 5.36 2.85 0.20 -5.00 115.26 107.73 2hc5 n ASN 79 Ca -0.05 0.17 -0.21 0.00 -0.11 0.00 0.00 54.58 54.38 2hc5 n ASN 79 Cb 0.72 -2.75 -0.09 0.00 1.24 0.00 0.00 39.78 38.90 2hc5 n ASN 79 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 2hc5 s GLU 80 N -3.47 1.69 -0.27 1.20 -1.05 -1.14 -4.94 118.70 110.72 2hc5 s GLU 80 Ca 0.00 -1.98 -0.28 0.00 -0.15 0.00 0.00 54.97 52.57 2hc5 s GLU 80 Cb 0.00 -0.33 0.01 0.00 -0.44 0.00 0.00 34.13 33.37 2hc5 s GLU 80 CO 0.00 -0.42 0.99 0.08 0.95 0.00 0.00 175.26 176.86 2hc5 s VAL 81 N -3.47 4.65 -0.13 1.83 1.01 -1.26 -1.80 120.40 121.24 2hc5 s VAL 81 Ca 0.33 1.76 0.19 0.00 0.00 0.00 0.00 61.98 64.25 2hc5 s VAL 81 Cb 0.05 -4.31 -0.24 0.00 0.00 0.00 0.00 36.38 31.89 2hc5 s VAL 81 CO 0.16 -0.29 0.43 2.30 0.00 0.00 0.00 175.10 177.71 2hc5 n ILE 82 N 5.55 0.96 -3.59 2.22 -5.35 -0.11 -4.97 119.36 114.06 2hc5 n ILE 82 Ca 0.10 -0.71 -0.15 0.00 -0.27 0.00 0.00 62.75 61.72 2hc5 n ILE 82 Cb 0.47 -0.44 -0.06 0.00 -1.74 0.00 0.00 39.64 37.87 2hc5 n ILE 82 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2hc5 s ARG 83 N -2.91 0.98 -0.13 6.28 6.06 -1.20 -5.03 118.95 123.00 2hc5 s ARG 83 Ca -0.07 -0.10 -0.01 0.00 -2.50 0.00 0.00 55.73 53.05 2hc5 s ARG 83 Cb 0.09 0.45 0.04 0.00 0.06 0.00 0.00 34.95 35.59 2hc5 s ARG 83 CO 0.84 -0.33 -0.02 -1.21 -2.50 0.00 0.00 175.30 172.09 2hc5 s GLU 84 N -1.92 0.99 -0.22 5.12 2.02 -1.26 0.14 118.70 123.56 2hc5 s GLU 84 Ca -0.08 -0.21 -0.05 0.00 0.02 0.00 0.00 54.97 54.64 2hc5 s GLU 84 Cb -0.01 -1.56 -0.02 0.00 0.10 0.00 0.00 34.13 32.64 2hc5 s GLU 84 CO 0.02 -0.39 0.01 0.42 0.02 0.00 0.00 175.26 175.34 2hc5 s ILE 85 N 1.82 3.86 0.50 -1.63 1.09 -0.01 -4.99 121.20 121.83 2hc5 s ILE 85 Ca 0.03 -0.33 -0.18 0.00 -1.10 0.00 0.00 60.65 59.07 2hc5 s ILE 85 Cb -0.14 -2.77 -0.08 0.00 -1.06 0.00 0.00 42.46 38.41 2hc5 s ILE 85 CO -0.07 0.40 0.99 -2.16 -0.10 0.00 0.00 174.94 173.99 2hc5 s PRO 86 N 1.39 3.96 0.49 2.79 0.04 -1.26 -1.71 135.00 140.69 2hc5 s PRO 86 Ca 0.05 1.05 0.19 0.00 0.04 0.00 0.00 61.00 62.33 2hc5 s PRO 86 Cb -0.15 -2.14 1.23 0.00 0.04 0.00 0.00 34.50 33.49 2hc5 s PRO 86 CO 0.01 -0.27 2.01 -1.35 0.04 0.00 0.00 177.00 177.44 2hc5 h PRO 87 N 1.18 0.16 0.00 0.56 0.11 -1.96 -0.66 132.00 131.39 2hc5 h PRO 87 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2hc5 h PRO 87 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2hc5 h PRO 87 CO 0.61 0.11 0.00 0.36 -0.21 0.00 0.00 178.00 178.86 2hc5 n LYS 88 N -4.44 0.04 -0.13 1.05 2.85 -1.26 -1.57 118.16 114.70 2hc5 n LYS 88 Ca 0.08 0.20 0.06 0.00 -1.05 0.00 0.00 58.31 57.60 2hc5 n LYS 88 Cb 0.44 -1.50 0.08 0.00 -0.65 0.00 0.00 35.03 33.40 2hc5 n LYS 88 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2hc5 n ARG 89 N -1.46 1.27 0.05 -1.58 1.74 -0.28 -4.75 116.66 111.65 2hc5 n ARG 89 Ca 0.05 -1.94 -0.04 0.00 -0.77 0.00 0.00 57.85 55.14 2hc5 n ARG 89 Cb 0.18 -1.15 0.17 0.00 -1.02 0.00 0.00 32.46 30.64 2hc5 n ARG 89 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 2hc5 h TRP 90 N 0.00 0.44 -0.33 -1.55 2.91 -1.01 -2.83 115.95 113.58 2hc5 h TRP 90 Ca 0.00 -0.12 -0.05 0.00 1.13 0.00 0.00 58.89 59.85 2hc5 h TRP 90 Cb 0.98 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 29.52 2hc5 h TRP 90 CO 0.02 0.73 0.01 -0.07 -1.03 0.00 0.00 178.44 178.10 2hc5 h LEU 91 N 0.31 0.47 0.05 0.65 3.38 -1.86 0.32 115.31 118.63 2hc5 h LEU 91 Ca 0.03 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2hc5 h LEU 91 Cb 0.86 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2hc5 h LEU 91 CO 0.07 0.53 -0.02 0.44 0.09 0.00 0.00 178.44 179.54 2hc5 h ASP 92 N 0.48 -0.06 -0.65 -0.43 5.19 -1.81 -1.62 116.42 117.53 2hc5 h ASP 92 Ca 0.11 -0.38 -0.04 0.00 -0.62 0.00 0.00 57.03 56.10 2hc5 h ASP 92 Cb 0.30 0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.80 2hc5 h ASP 92 CO 0.01 0.36 0.25 0.15 -3.12 0.00 0.00 179.24 176.89 2hc5 h PHE 93 N -0.49 1.00 -0.25 4.55 3.57 -1.25 -1.15 116.94 122.91 2hc5 h PHE 93 Ca -0.01 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.43 2hc5 h PHE 93 Cb 0.44 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2hc5 h PHE 93 CO 0.06 0.78 0.13 -0.92 -2.23 0.00 0.00 178.31 176.14 2hc5 h TYR 94 N 0.92 0.24 -0.04 0.41 3.20 -0.39 -1.48 116.97 119.83 2hc5 h TYR 94 Ca 0.22 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.10 2hc5 h TYR 94 Cb 0.21 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 2hc5 h TYR 94 CO 0.01 0.14 0.01 0.00 -1.64 0.00 0.00 178.16 176.69 2hc5 h ALA 95 N 1.12 0.04 -0.77 1.82 0.00 -0.94 0.18 119.26 120.71 2hc5 h ALA 95 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2hc5 h ALA 95 Cb 0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2hc5 h ALA 95 CO -0.07 -0.47 0.51 0.00 0.00 0.00 0.00 179.25 179.22 2hc5 h ALA 96 N 1.02 1.62 0.06 0.00 0.00 -1.05 -0.94 119.26 119.98 2hc5 h ALA 96 Ca 0.02 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2hc5 h ALA 96 Cb 0.01 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 17.58 2hc5 h ALA 96 CO -0.02 0.27 -0.70 0.52 0.00 0.00 0.00 179.25 179.32 2hc5 h MET 97 N 0.86 0.36 0.00 0.00 2.07 -0.82 -3.11 114.93 114.30 2hc5 h MET 97 Ca 0.33 -0.48 -0.07 0.00 -2.07 0.00 0.00 59.70 57.40 2hc5 h MET 97 Cb 0.19 0.16 -0.01 0.00 -1.87 0.00 0.00 31.60 30.06 2hc5 h MET 97 CO -0.11 1.17 -0.36 0.00 1.07 0.00 0.00 176.91 178.68 2hc5 h THR 98 N -0.21 0.86 -0.01 2.22 1.03 -0.33 0.48 112.91 116.94 2hc5 h THR 98 Ca -0.11 -1.46 -0.19 0.00 -0.01 0.00 0.00 66.41 64.65 2hc5 h THR 98 Cb 1.47 1.89 -0.01 0.00 -1.07 0.00 0.00 68.15 70.43 2hc5 h THR 98 CO 0.14 0.35 -0.82 -0.33 -0.01 0.00 0.00 175.52 174.85 2hc5 h GLU 99 N 0.00 0.21 0.00 0.00 5.08 -1.29 -0.50 114.58 118.08 2hc5 h GLU 99 Ca -0.00 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2hc5 h GLU 99 Cb 0.86 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 2hc5 h GLU 99 CO 0.05 0.92 -0.15 0.35 -1.00 0.00 0.00 179.01 179.17 2hc5 h PHE 100 N 0.13 0.00 0.00 4.33 3.57 -1.35 -3.32 116.94 120.29 2hc5 h PHE 100 Ca -0.04 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2hc5 h PHE 100 Cb 1.42 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.16 2hc5 h PHE 100 CO 0.03 0.30 0.00 -0.07 -2.23 0.00 0.00 178.31 176.34 2hc5 h LEU 101 N -1.00 0.00 -0.22 0.59 3.38 -0.21 -2.32 115.31 115.52 2hc5 h LEU 101 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2hc5 h LEU 101 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2hc5 h LEU 101 CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13 2hc5 n GLY 102 N 0.45 -0.75 0.13 0.83 0.00 -0.20 -0.03 105.19 105.63 2hc5 n GLY 102 Ca 0.02 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 2hc5 n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hc5 n LEU 103 N -0.60 2.48 -0.05 0.99 4.77 -0.87 -4.55 117.00 119.16 2hc5 n LEU 103 Ca 0.16 0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 56.25 2hc5 n LEU 103 Cb 0.13 -1.07 -0.12 0.00 -2.33 0.00 0.00 43.42 40.03 2hc5 n LEU 103 CO 0.12 0.73 0.43 -0.26 -1.33 0.00 0.00 177.39 177.08 2hc5 h PHE 104 N -0.18 -0.01 -3.39 -1.77 0.04 -1.58 -3.47 116.94 106.58 2hc5 h PHE 104 Ca -0.42 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.35 2hc5 h PHE 104 Cb 1.87 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.02 2hc5 h PHE 104 CO 0.08 0.83 -0.55 1.33 -0.60 0.00 0.00 178.31 179.40 2hc5 n VAL 105 N -4.68 -3.21 -2.36 -0.55 0.24 0.96 -4.74 118.33 103.99 2hc5 n VAL 105 Ca -0.09 1.48 -0.39 0.00 -2.04 0.00 0.00 64.34 63.30 2hc5 n VAL 105 Cb 0.41 -1.98 -0.03 0.00 -1.47 0.00 0.00 33.84 30.77 2hc5 n VAL 105 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2hc5 s ASP 106 N -2.54 5.85 0.00 -1.34 2.15 -1.26 -4.90 116.67 114.64 2hc5 s ASP 106 Ca 0.00 -0.34 0.00 0.00 0.43 0.00 0.00 52.55 52.64 2hc5 s ASP 106 Cb 0.00 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 2hc5 s ASP 106 CO 0.00 -2.03 0.00 1.21 -0.17 0.00 0.00 175.17 174.18 2hc5 n GLU 107 N 9.23 0.00 0.29 4.34 2.13 -1.26 0.95 120.64 136.32 2hc5 n GLU 107 Ca 0.15 0.00 0.16 0.00 0.66 0.00 0.00 57.16 58.13 2hc5 n GLU 107 Cb 0.50 0.00 0.86 0.00 0.27 0.00 0.00 31.44 33.07 2hc5 n GLU 107 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2hc5 h LYS 108 N 0.00 0.00 -0.61 5.31 1.57 -2.01 0.19 116.57 121.02 2hc5 h LYS 108 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hc5 h LYS 108 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2hc5 h LYS 108 CO 0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 2hc5 n LYS 109 N -2.76 2.78 -0.07 3.15 5.02 0.27 -4.29 118.16 122.27 2hc5 n LYS 109 Ca -0.02 -2.46 0.08 0.00 -2.02 0.00 0.00 58.31 53.88 2hc5 n LYS 109 Cb 0.23 -1.47 0.34 0.00 -0.02 0.00 0.00 35.03 34.10 2hc5 n LYS 109 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2hc5 n LEU 110 N 1.28 1.03 0.00 -0.35 -0.00 0.65 -4.91 117.00 114.70 2hc5 n LEU 110 Ca 0.20 -0.46 0.00 0.00 -0.00 0.00 0.00 56.01 55.75 2hc5 n LEU 110 Cb 0.56 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 2hc5 n LEU 110 CO 0.14 0.23 0.00 1.21 -0.00 0.00 0.00 177.39 178.97 2hc5 n GLU 111 N -0.05 0.00 -2.26 1.47 2.13 -1.26 -4.66 120.64 116.01 2hc5 n GLU 111 Ca 0.13 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.92 2hc5 n GLU 111 Cb 0.21 -0.02 -0.02 0.00 0.27 0.00 0.00 31.44 31.88 2hc5 n GLU 111 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2hc5 n HIS 112 N 0.00 -2.90 0.03 4.31 8.25 -1.26 -4.97 115.22 118.67 2hc5 n HIS 112 Ca 0.00 1.56 -0.02 0.00 -0.26 0.00 0.00 57.72 59.00 2hc5 n HIS 112 Cb 0.00 -3.15 -0.09 0.00 1.12 0.00 0.00 29.99 27.87 2hc5 n HIS 112 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2hc5 h HIS 113 N 2.49 0.00 -2.40 4.41 -0.00 -2.02 -3.44 115.15 114.18 2hc5 h HIS 113 Ca -0.25 0.00 -0.37 0.00 -0.00 0.00 0.00 60.37 59.74 2hc5 h HIS 113 Cb 0.57 0.00 -0.36 0.00 -0.00 0.00 0.00 27.41 27.62 2hc5 h HIS 113 CO 0.00 0.66 -0.67 -1.01 -0.00 0.00 0.00 177.93 176.92 2hc5 s HIS 114 N -2.86 -0.23 -0.59 2.45 3.76 -1.26 -4.90 115.29 111.66 2hc5 s HIS 114 Ca -0.03 -0.23 0.17 0.00 -0.15 0.00 0.00 55.06 54.82 2hc5 s HIS 114 Cb 0.08 -0.54 -0.20 0.00 1.11 0.00 0.00 32.58 33.03 2hc5 s HIS 114 CO 0.81 -0.82 0.62 1.58 -0.85 0.00 0.00 174.74 176.09 2hc5 n HIS 115 N 5.30 0.00 -4.43 1.40 -0.00 -1.26 -4.96 115.22 111.26 2hc5 n HIS 115 Ca -0.04 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.46 2hc5 n HIS 115 Cb 0.46 -0.10 -0.13 0.00 -0.00 0.00 0.00 29.99 30.21 2hc5 n HIS 115 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2hc5 s HIS 116 N -2.74 1.44 -2.70 1.57 5.65 -1.26 -5.29 115.29 111.96 2hc5 s HIS 116 Ca 0.03 -0.37 0.26 0.00 0.25 0.00 0.00 55.06 55.24 2hc5 s HIS 116 Cb 0.12 -0.85 0.71 0.00 -1.18 0.00 0.00 32.58 31.39 2hc5 s HIS 116 CO 0.70 0.06 1.55 0.72 -0.65 0.00 0.00 174.74 177.12