#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 6.45 0.49 -1.43 -0.87 -1.26 -4.74 114.94 113.58 2hc5 s ASN 2 Ca 0.00 0.07 0.27 0.00 -1.57 0.00 0.00 52.86 51.64 2hc5 s ASN 2 Cb 0.00 -2.37 1.16 0.00 -0.02 0.00 0.00 41.25 40.02 2hc5 s ASN 2 CO 0.00 -0.79 1.93 -0.29 -2.57 0.00 0.00 177.10 175.38 2hc5 h ILE 3 N 5.84 0.44 -0.25 0.60 2.10 -1.91 -2.97 117.51 121.38 2hc5 h ILE 3 Ca -0.25 -0.85 0.07 0.00 1.08 0.00 0.00 64.86 64.91 2hc5 h ILE 3 Cb 1.09 1.60 -0.01 0.00 -1.09 0.00 0.00 36.82 38.42 2hc5 h ILE 3 CO 0.92 0.15 0.23 -0.08 -1.08 0.00 0.00 178.15 178.29 2hc5 h GLU 4 N 0.00 0.00 0.00 2.19 4.57 -1.91 -1.06 114.58 118.37 2hc5 h GLU 4 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2hc5 h GLU 4 Cb 0.59 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 2hc5 h GLU 4 CO 0.02 0.00 -0.07 0.54 -1.18 0.00 0.00 179.01 178.32 2hc5 n ARG 5 N -3.96 1.18 -2.49 1.92 1.74 -1.12 -4.39 116.66 109.54 2hc5 n ARG 5 Ca 0.03 -2.26 -0.43 0.00 -0.77 0.00 0.00 57.85 54.42 2hc5 n ARG 5 Cb 0.38 -1.31 -0.02 0.00 -1.02 0.00 0.00 32.46 30.48 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 -2.32 4.13 -0.41 0.55 2.96 -0.40 -4.85 118.68 118.34 2hc5 s LEU 6 Ca 0.25 1.57 0.07 0.00 -0.22 0.00 0.00 54.13 55.79 2hc5 s LEU 6 Cb 0.22 -3.54 0.22 0.00 0.50 0.00 0.00 46.19 43.59 2hc5 s LEU 6 CO 0.02 -0.76 0.51 1.07 -1.32 0.00 0.00 176.35 175.87 2hc5 n THR 7 N 5.43 -0.75 -3.57 3.68 5.66 -1.26 -0.76 114.28 122.71 2hc5 n THR 7 Ca 0.13 -3.44 -0.01 0.00 -3.05 0.00 0.00 64.05 57.69 2hc5 n THR 7 Cb 0.45 -1.38 -0.06 0.00 -1.55 0.00 0.00 70.33 67.80 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 -0.52 -0.17 -1.45 1.09 -1.32 -1.26 -5.01 115.64 106.99 2hc5 s THR 8 Ca 0.34 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.97 2hc5 s THR 8 Cb 0.13 -1.00 0.39 0.00 -1.51 0.00 0.00 72.50 70.51 2hc5 s THR 8 CO -0.15 0.00 1.31 0.18 -2.21 0.00 0.00 174.62 173.75 2hc5 n LEU 9 N 4.10 3.18 -0.04 9.08 4.77 -1.26 -4.70 117.00 132.13 2hc5 n LEU 9 Ca -0.15 -1.84 -0.09 0.00 -0.03 0.00 0.00 56.01 53.90 2hc5 n LEU 9 Cb 0.56 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 2hc5 n LEU 9 CO 0.00 0.77 0.83 -0.61 -1.33 0.00 0.00 177.39 177.05 2hc5 h GLN 10 N 2.97 0.00 0.00 3.23 5.75 -1.99 0.68 115.11 125.76 2hc5 h GLN 10 Ca 0.00 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 2hc5 h GLN 10 Cb 0.81 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.36 2hc5 h GLN 10 CO 0.00 0.00 -0.09 -1.35 -2.65 0.00 0.00 178.83 174.74 2hc5 h PRO 11 N 0.00 0.00 -0.03 -2.39 0.11 -1.99 -0.39 132.00 127.31 2hc5 h PRO 11 Ca 0.09 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 2hc5 h PRO 11 Cb 0.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.25 2hc5 h PRO 11 CO -0.19 0.09 -0.06 0.28 -0.21 0.00 0.00 178.00 177.91 2hc5 h VAL 12 N 0.00 1.44 -0.78 3.15 2.07 -1.52 -1.96 116.25 118.66 2hc5 h VAL 12 Ca -0.00 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.10 2hc5 h VAL 12 Cb 0.18 2.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 2hc5 h VAL 12 CO 0.01 0.38 0.43 -0.50 0.02 0.00 0.00 177.57 177.90 2hc5 h TRP 13 N -0.45 1.06 0.17 1.57 4.06 -0.65 0.18 115.95 121.89 2hc5 h TRP 13 Ca 0.00 -0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.93 2hc5 h TRP 13 Cb 0.64 -0.34 -0.00 0.00 -1.00 0.00 0.00 29.16 28.46 2hc5 h TRP 13 CO 0.12 0.74 -0.11 0.22 -3.56 0.00 0.00 178.44 175.85 2hc5 h ASP 14 N 1.09 -0.29 0.79 -3.49 1.82 -1.04 -0.55 116.42 114.75 2hc5 h ASP 14 Ca 0.28 0.02 -0.06 0.00 -0.39 0.00 0.00 57.03 56.88 2hc5 h ASP 14 Cb 0.03 0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 2hc5 h ASP 14 CO -0.04 -0.18 -0.28 0.03 -1.61 0.00 0.00 179.24 177.15 2hc5 h ARG 15 N -0.28 0.00 -0.38 0.28 3.08 -1.05 -2.23 114.38 113.79 2hc5 h ARG 15 Ca -0.01 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 2hc5 h ARG 15 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2hc5 h ARG 15 CO 0.01 0.28 -0.27 -0.92 -1.07 0.00 0.00 179.97 177.99 2hc5 h TYR 16 N 0.00 1.00 0.27 3.04 3.20 -0.21 0.33 116.97 124.61 2hc5 h TYR 16 Ca -0.00 -0.28 -0.01 0.00 3.14 0.00 0.00 58.73 61.58 2hc5 h TYR 16 Cb 0.75 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.80 2hc5 h TYR 16 CO 0.00 1.06 -0.13 0.22 -1.64 0.00 0.00 178.16 177.67 2hc5 h ASP 17 N 0.66 -0.31 -0.70 -2.11 1.82 -0.86 -1.47 116.42 113.45 2hc5 h ASP 17 Ca 0.07 -0.01 0.09 0.00 -0.39 0.00 0.00 57.03 56.80 2hc5 h ASP 17 Cb 0.85 0.08 -0.07 0.00 0.68 0.00 0.00 39.33 40.87 2hc5 h ASP 17 CO 0.07 -0.20 0.34 0.74 -1.61 0.00 0.00 179.24 178.58 2hc5 h THR 18 N -0.39 0.84 -0.91 2.25 2.02 -1.31 -0.61 112.91 114.79 2hc5 h THR 18 Ca -0.04 -0.20 0.09 0.00 0.77 0.00 0.00 66.41 67.03 2hc5 h THR 18 Cb 0.30 0.21 -0.07 0.00 -1.74 0.00 0.00 68.15 66.85 2hc5 h THR 18 CO 0.06 0.11 0.56 -0.61 0.37 0.00 0.00 175.52 176.01 2hc5 h GLN 19 N 0.59 0.94 0.00 6.66 5.75 -0.13 0.30 115.11 129.21 2hc5 h GLN 19 Ca 0.34 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.79 2hc5 h GLN 19 Cb 0.36 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.70 2hc5 h GLN 19 CO -0.27 0.62 0.04 -0.89 -2.65 0.00 0.00 178.83 175.68 2hc5 n ILE 20 N -4.63 1.73 1.18 2.39 -0.00 -0.24 -0.10 119.36 119.68 2hc5 n ILE 20 Ca 0.15 0.53 0.12 0.00 -0.00 0.00 0.00 62.75 63.56 2hc5 n ILE 20 Cb 0.25 -1.53 0.24 0.00 -0.00 0.00 0.00 39.64 38.60 2hc5 n ILE 20 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 2hc5 n HIS 21 N -1.56 0.00 -3.28 1.39 8.25 0.09 -4.75 115.22 115.36 2hc5 n HIS 21 Ca -0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 2hc5 n HIS 21 Cb 0.05 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.09 2hc5 n HIS 21 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2hc5 s ASN 22 N -2.23 -0.22 -0.76 0.41 2.47 0.85 -5.09 114.94 110.39 2hc5 s ASN 22 Ca 0.27 -1.14 -0.18 0.00 0.42 0.00 0.00 52.86 52.23 2hc5 s ASN 22 Cb 0.20 1.28 0.13 0.00 -1.45 0.00 0.00 41.25 41.41 2hc5 s ASN 22 CO 0.42 -0.22 0.89 -1.10 -3.72 0.00 0.00 177.10 173.37 2hc5 s GLN 23 N 1.67 3.34 0.12 0.43 1.11 -1.26 -4.89 119.66 120.19 2hc5 s GLN 23 Ca 0.16 -1.62 -0.24 0.00 0.01 0.00 0.00 55.36 53.67 2hc5 s GLN 23 Cb -0.10 -4.51 0.07 0.00 -1.01 0.00 0.00 33.01 27.46 2hc5 s GLN 23 CO -0.06 -1.61 0.62 -1.59 0.01 0.00 0.00 175.29 172.66 2hc5 s LYS 24 N 2.38 1.24 -0.86 2.91 -2.85 -1.26 -5.09 119.74 116.21 2hc5 s LYS 24 Ca 0.21 -0.36 -0.25 0.00 -1.00 0.00 0.00 55.97 54.57 2hc5 s LYS 24 Cb -0.14 0.57 0.03 0.00 -2.06 0.00 0.00 37.83 36.22 2hc5 s LYS 24 CO -0.01 -0.52 1.47 0.16 0.10 0.00 0.00 175.35 176.55 2hc5 s ASP 25 N -2.51 6.11 0.30 0.03 -4.77 -1.26 -4.98 116.67 109.60 2hc5 s ASP 25 Ca -0.01 -0.82 0.02 0.00 -3.30 0.00 0.00 52.55 48.44 2hc5 s ASP 25 Cb -0.01 -2.56 -0.03 0.00 -1.09 0.00 0.00 42.92 39.23 2hc5 s ASP 25 CO -0.09 -1.84 0.48 0.21 0.70 0.00 0.00 175.17 174.62 2hc5 s ASN 26 N 5.11 6.31 0.23 2.11 2.47 -1.26 -4.81 114.94 125.10 2hc5 s ASN 26 Ca 0.46 0.32 0.00 0.00 0.42 0.00 0.00 52.86 54.07 2hc5 s ASN 26 Cb -0.05 -1.98 0.00 0.00 -1.45 0.00 0.00 41.25 37.78 2hc5 s ASN 26 CO 0.03 -0.20 0.00 0.47 -3.72 0.00 0.00 177.10 173.68 2hc5 n ASP 27 N -1.58 0.00 0.00 -4.21 8.00 -1.26 -4.22 116.55 113.29 2hc5 n ASP 27 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 2hc5 n ASP 27 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 2hc5 n ASP 27 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2hc5 n ASN 28 N 4.63 0.00 -0.95 -2.24 4.05 -1.26 -5.01 115.26 114.48 2hc5 n ASN 28 Ca 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 54.58 55.02 2hc5 n ASN 28 Cb 0.00 0.00 0.05 0.00 1.23 0.00 0.00 39.78 41.06 2hc5 n ASN 28 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2hc5 n GLU 29 N 0.00 1.45 -4.23 1.20 1.02 -1.26 -4.74 120.64 114.08 2hc5 n GLU 29 Ca 0.00 -0.52 -0.23 0.00 -0.02 0.00 0.00 57.16 56.39 2hc5 n GLU 29 Cb 0.00 -1.43 -0.17 0.00 -0.02 0.00 0.00 31.44 29.83 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 -0.95 0.85 0.50 2.62 0.11 -1.26 -4.98 120.40 117.29 2hc5 s VAL 30 Ca 0.09 -0.27 -0.22 0.00 -2.93 0.00 0.00 61.98 58.65 2hc5 s VAL 30 Cb 0.07 -0.85 -0.06 0.00 -1.53 0.00 0.00 36.38 34.02 2hc5 s VAL 30 CO 0.02 0.31 1.20 -2.84 -3.33 0.00 0.00 175.10 170.46 2hc5 s PRO 31 N 1.09 3.51 -0.11 1.54 0.02 -1.26 -4.91 135.00 134.89 2hc5 s PRO 31 Ca -0.07 1.84 -0.05 0.00 0.02 0.00 0.00 61.00 62.74 2hc5 s PRO 31 Cb -0.14 -2.27 0.05 0.00 0.02 0.00 0.00 34.50 32.16 2hc5 s PRO 31 CO -0.01 -0.78 0.24 0.54 -0.33 0.00 0.00 177.00 176.66 2hc5 s VAL 32 N -1.54 -0.22 0.30 3.83 0.11 -1.26 -4.93 120.40 116.69 2hc5 s VAL 32 Ca 0.68 0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.96 2hc5 s VAL 32 Cb -0.30 -0.39 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 2hc5 s VAL 32 CO 0.36 0.10 0.00 1.41 -3.33 0.00 0.00 175.10 173.63 2hc5 n HIS 33 N 4.82 -2.00 -1.89 1.54 8.25 -1.26 -4.88 115.22 119.80 2hc5 n HIS 33 Ca -0.15 1.09 -0.18 0.00 -0.26 0.00 0.00 57.72 58.22 2hc5 n HIS 33 Cb 0.51 -1.82 -0.05 0.00 1.12 0.00 0.00 29.99 29.75 2hc5 n HIS 33 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2hc5 n GLN 34 N -3.29 -1.33 -2.35 -0.41 6.02 -1.26 -4.90 117.38 109.86 2hc5 n GLN 34 Ca -0.04 1.01 -0.37 0.00 -0.01 0.00 0.00 57.00 57.60 2hc5 n GLN 34 Cb 0.36 -5.38 -0.04 0.00 1.02 0.00 0.00 30.24 26.20 2hc5 n GLN 34 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2hc5 s VAL 35 N -2.77 3.68 0.79 5.09 1.01 -1.26 -4.96 120.40 121.98 2hc5 s VAL 35 Ca 0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 2hc5 s VAL 35 Cb 0.00 -4.59 0.11 0.00 0.00 0.00 0.00 36.38 31.90 2hc5 s VAL 35 CO 0.00 -1.51 1.12 -0.55 0.00 0.00 0.00 175.10 174.15 2hc5 s SER 36 N 6.01 4.22 0.32 3.32 0.15 -1.26 -4.83 113.70 121.64 2hc5 s SER 36 Ca 0.53 0.30 0.05 0.00 0.70 0.00 0.00 55.95 57.54 2hc5 s SER 36 Cb -0.05 -0.71 0.70 0.00 -1.71 0.00 0.00 66.02 64.25 2hc5 s SER 36 CO 0.01 -2.00 1.86 0.22 1.20 0.00 0.00 173.24 174.54 2hc5 h TYR 37 N -0.93 0.96 -0.53 3.44 3.20 -2.00 0.28 116.97 121.38 2hc5 h TYR 37 Ca -0.43 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.34 2hc5 h TYR 37 Cb 1.29 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.24 2hc5 h TYR 37 CO -0.18 0.37 -0.14 1.15 -1.64 0.00 0.00 178.16 177.73 2hc5 h THR 38 N 0.83 1.27 -0.36 1.81 2.02 -1.99 -3.06 112.91 113.42 2hc5 h THR 38 Ca 0.46 -1.31 -0.08 0.00 0.77 0.00 0.00 66.41 66.26 2hc5 h THR 38 Cb 0.59 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 2hc5 h THR 38 CO -0.22 0.46 -0.10 0.78 0.37 0.00 0.00 175.52 176.81 2hc5 h ASN 39 N 0.91 0.60 -0.06 4.18 -0.26 -1.34 -1.84 115.58 117.77 2hc5 h ASN 39 Ca 0.13 -0.16 0.04 0.00 -0.56 0.00 0.00 56.30 55.75 2hc5 h ASN 39 Cb 0.72 -0.16 -0.05 0.00 -1.06 0.00 0.00 38.32 37.77 2hc5 h ASN 39 CO 0.06 0.73 -0.28 -0.07 -1.06 0.00 0.00 177.43 176.81 2hc5 h LEU 40 N 0.57 -0.84 -1.08 1.61 -0.00 -1.15 0.46 115.31 114.87 2hc5 h LEU 40 Ca 0.10 0.12 0.03 0.00 -0.00 0.00 0.00 57.88 58.13 2hc5 h LEU 40 Cb 0.51 0.35 -0.05 0.00 -0.00 0.00 0.00 40.66 41.47 2hc5 h LEU 40 CO 0.03 -0.34 0.62 0.00 -0.00 0.00 0.00 178.44 178.75 2hc5 h ALA 41 N 0.45 1.37 0.37 1.53 0.00 -1.41 0.70 119.26 122.27 2hc5 h ALA 41 Ca 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2hc5 h ALA 41 Cb 0.50 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2hc5 h ALA 41 CO -0.28 0.55 -0.18 0.93 0.00 0.00 0.00 179.25 180.27 2hc5 h GLU 42 N 1.22 -0.48 0.00 0.00 5.08 -0.77 -1.88 114.58 117.75 2hc5 h GLU 42 Ca 0.37 0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.69 2hc5 h GLU 42 Cb -0.04 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2hc5 h GLU 42 CO -0.10 -0.17 -0.35 0.52 -1.00 0.00 0.00 179.01 177.91 2hc5 h MET 43 N -0.82 0.00 -0.08 2.33 2.86 0.13 -1.17 114.93 118.17 2hc5 h MET 43 Ca -0.05 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 2hc5 h MET 43 Cb 0.53 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 2hc5 h MET 43 CO 0.08 0.35 -0.13 0.28 1.06 0.00 0.00 176.91 178.56 2hc5 h VAL 44 N 0.00 1.39 -1.00 -2.22 2.07 -0.92 -2.98 116.25 112.59 2hc5 h VAL 44 Ca -0.00 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.17 2hc5 h VAL 44 Cb 0.66 2.11 -0.05 0.00 -1.52 0.00 0.00 31.29 32.48 2hc5 h VAL 44 CO 0.05 0.39 0.66 1.23 0.02 0.00 0.00 177.57 179.91 2hc5 h GLY 45 N -0.23 1.43 2.00 2.17 0.00 -0.65 0.26 103.07 108.05 2hc5 h GLY 45 Ca 0.01 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 2hc5 h GLY 45 CO 0.03 0.47 -0.40 1.05 0.00 0.00 0.00 176.54 177.69 2hc5 h GLU 46 N 1.31 0.00 0.05 4.80 4.11 -1.33 -2.61 114.58 120.91 2hc5 h GLU 46 Ca 0.38 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.58 2hc5 h GLU 46 Cb -0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2hc5 h GLU 46 CO -0.10 0.40 -1.05 1.98 0.07 0.00 0.00 179.01 180.31 2hc5 h MET 47 N 0.00 0.25 -0.13 1.06 4.05 -1.09 -3.20 114.93 115.86 2hc5 h MET 47 Ca -0.00 -0.34 0.05 0.00 -0.28 0.00 0.00 59.70 59.12 2hc5 h MET 47 Cb 0.91 0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 31.76 2hc5 h MET 47 CO 0.05 1.10 -0.30 -0.91 0.23 0.00 0.00 176.91 177.08 2hc5 h ASN 48 N 0.11 -0.92 0.48 1.39 -0.26 -0.17 -0.74 115.58 115.48 2hc5 h ASN 48 Ca -0.08 0.14 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 2hc5 h ASN 48 Cb 1.73 0.39 0.00 0.00 -1.06 0.00 0.00 38.32 39.39 2hc5 h ASN 48 CO 0.17 -0.34 0.00 2.29 -1.06 0.00 0.00 177.43 178.49 2hc5 n LYS 49 N -5.40 0.11 0.06 0.81 2.85 -1.09 -1.41 118.16 114.08 2hc5 n LYS 49 Ca -0.03 0.40 -0.07 0.00 -1.05 0.00 0.00 58.31 57.56 2hc5 n LYS 49 Cb 0.31 -1.73 -0.12 0.00 -0.65 0.00 0.00 35.03 32.85 2hc5 n LYS 49 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 2hc5 h LEU 50 N 0.00 0.01 -2.02 -5.58 3.38 -1.14 -3.32 115.31 106.64 2hc5 h LEU 50 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2hc5 h LEU 50 Cb 0.24 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2hc5 h LEU 50 CO 0.00 1.01 0.00 0.18 0.09 0.00 0.00 178.44 179.72 2hc5 n LEU 51 N -3.34 2.80 -0.01 1.67 4.77 -0.52 -4.42 117.00 117.95 2hc5 n LEU 51 Ca -0.01 -1.28 -0.13 0.00 -0.03 0.00 0.00 56.01 54.56 2hc5 n LEU 51 Cb 0.95 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.84 2hc5 n LEU 51 CO 0.47 0.56 0.70 -0.33 -1.33 0.00 0.00 177.39 177.46 2hc5 h GLU 52 N 3.49 0.04 0.00 3.23 4.39 -1.33 -3.18 114.58 121.22 2hc5 h GLU 52 Ca 0.00 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2hc5 h GLU 52 Cb 0.79 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2hc5 h GLU 52 CO 0.00 0.39 -0.08 -1.35 -1.16 0.00 0.00 179.01 176.81 2hc5 h PRO 53 N -0.31 0.00 -7.30 2.33 0.11 -1.77 -3.44 132.00 121.62 2hc5 h PRO 53 Ca 0.01 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.65 2hc5 h PRO 53 Cb 0.37 0.00 0.08 0.00 0.11 0.00 0.00 31.00 31.56 2hc5 h PRO 53 CO 0.00 0.08 0.24 -1.54 -0.21 0.00 0.00 178.00 176.57 2hc5 s SER 54 N -5.94 4.93 0.42 -2.05 1.04 -1.20 -3.76 113.70 107.15 2hc5 s SER 54 Ca -0.03 0.55 0.23 0.00 0.48 0.00 0.00 55.95 57.18 2hc5 s SER 54 Cb 0.13 -1.24 0.42 0.00 0.10 0.00 0.00 66.02 65.43 2hc5 s SER 54 CO 0.55 -1.53 1.63 1.56 0.98 0.00 0.00 173.24 176.43 2hc5 h GLN 55 N -0.57 0.00 -5.69 4.02 1.08 -1.11 -3.40 115.11 109.44 2hc5 h GLN 55 Ca -0.45 0.00 -0.66 0.00 -1.45 0.00 0.00 58.65 56.09 2hc5 h GLN 55 Cb 1.31 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 28.62 2hc5 h GLN 55 CO 0.61 0.09 1.65 0.08 -0.95 0.00 0.00 178.83 180.31 2hc5 s VAL 56 N -3.23 4.25 -1.12 -0.54 1.01 -1.22 -4.91 120.40 114.64 2hc5 s VAL 56 Ca 0.06 -1.55 -0.19 0.00 0.00 0.00 0.00 61.98 60.30 2hc5 s VAL 56 Cb 0.06 -5.05 0.09 0.00 0.00 0.00 0.00 36.38 31.48 2hc5 s VAL 56 CO 0.67 -1.87 1.48 -1.00 0.00 0.00 0.00 175.10 174.38 2hc5 s HIS 57 N 3.93 2.88 -0.22 5.22 3.76 -1.26 -4.78 115.29 124.81 2hc5 s HIS 57 Ca 0.47 -1.40 -0.28 0.00 -0.15 0.00 0.00 55.06 53.70 2hc5 s HIS 57 Cb 0.00 -4.58 0.00 0.00 1.11 0.00 0.00 32.58 29.12 2hc5 s HIS 57 CO -0.02 -1.73 0.99 -0.51 -0.85 0.00 0.00 174.74 172.62 2hc5 s LEU 58 N 3.77 4.11 -0.25 0.89 1.43 -1.26 -1.88 118.68 125.49 2hc5 s LEU 58 Ca 0.46 1.31 -0.17 0.00 -1.03 0.00 0.00 54.13 54.69 2hc5 s LEU 58 Cb -0.00 -3.45 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 2hc5 s LEU 58 CO -0.03 -0.61 0.48 -0.54 0.23 0.00 0.00 176.35 175.88 2hc5 s LYS 59 N 3.00 4.09 -0.24 1.70 1.02 0.97 -4.90 119.74 125.38 2hc5 s LYS 59 Ca 0.42 0.27 -0.07 0.00 0.02 0.00 0.00 55.97 56.61 2hc5 s LYS 59 Cb -0.15 -3.63 -0.03 0.00 -0.52 0.00 0.00 37.83 33.50 2hc5 s LYS 59 CO 0.07 -0.27 0.07 -0.06 -0.92 0.00 0.00 175.35 174.24 2hc5 s PHE 60 N 2.06 3.10 -0.07 3.18 0.08 -1.25 -0.54 117.98 124.54 2hc5 s PHE 60 Ca 0.20 -0.35 0.05 0.00 0.12 0.00 0.00 56.93 56.95 2hc5 s PHE 60 Cb -0.16 -2.23 -0.01 0.00 -0.57 0.00 0.00 43.02 40.05 2hc5 s PHE 60 CO 0.09 -0.30 -0.22 -1.21 -0.10 0.00 0.00 175.22 173.49 2hc5 s GLU 61 N 1.50 2.74 -0.33 0.44 2.02 -0.50 -4.90 118.70 119.67 2hc5 s GLU 61 Ca 0.06 -0.84 -0.18 0.00 0.02 0.00 0.00 54.97 54.03 2hc5 s GLU 61 Cb -0.15 -2.28 -0.01 0.00 0.10 0.00 0.00 34.13 31.79 2hc5 s GLU 61 CO 0.04 0.36 0.51 -1.17 0.02 0.00 0.00 175.26 175.03 2hc5 s LEU 62 N -0.10 4.26 -0.03 1.80 2.96 -1.26 0.13 118.68 126.44 2hc5 s LEU 62 Ca -0.05 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.02 2hc5 s LEU 62 Cb -0.14 -2.60 -0.00 0.00 0.50 0.00 0.00 46.19 43.94 2hc5 s LEU 62 CO 0.04 -0.43 -0.15 -1.00 -1.32 0.00 0.00 176.35 173.49 2hc5 s HIS 63 N 2.38 1.50 0.26 5.38 3.76 -0.95 -4.98 115.29 122.65 2hc5 s HIS 63 Ca 0.19 -0.38 0.08 0.00 -0.15 0.00 0.00 55.06 54.80 2hc5 s HIS 63 Cb -0.15 -1.01 -0.04 0.00 1.11 0.00 0.00 32.58 32.49 2hc5 s HIS 63 CO 0.12 -0.11 0.11 0.16 -0.85 0.00 0.00 174.74 174.17 2hc5 s ASP 64 N -0.05 5.08 -0.29 1.40 -4.77 -1.26 -2.15 116.67 114.63 2hc5 s ASP 64 Ca -0.01 -0.44 -0.16 0.00 -3.30 0.00 0.00 52.55 48.64 2hc5 s ASP 64 Cb -0.09 -1.14 0.13 0.00 -1.09 0.00 0.00 42.92 40.73 2hc5 s ASP 64 CO 0.01 -0.04 0.90 -1.59 0.70 0.00 0.00 175.17 175.15 2hc5 s LYS 65 N -3.78 0.47 0.19 2.11 -2.85 0.13 -4.96 119.74 111.05 2hc5 s LYS 65 Ca 0.33 0.80 0.00 0.00 -1.00 0.00 0.00 55.97 56.10 2hc5 s LYS 65 Cb -0.07 0.10 0.00 0.00 -2.06 0.00 0.00 37.83 35.80 2hc5 s LYS 65 CO 0.23 -0.10 0.00 -0.11 0.10 0.00 0.00 175.35 175.47 2hc5 n LEU 66 N 3.82 0.00 0.00 2.77 7.94 -1.26 -0.28 117.00 129.99 2hc5 n LEU 66 Ca -0.19 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.71 2hc5 n LEU 66 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 2hc5 n LEU 66 CO 0.01 0.00 0.15 -0.46 -1.11 0.00 0.00 177.39 175.98 2hc5 n ASN 67 N 2.14 0.00 -4.58 1.96 6.94 -1.26 -5.11 115.26 115.35 2hc5 n ASN 67 Ca 0.00 -1.00 -0.27 0.00 -0.02 0.00 0.00 54.58 53.29 2hc5 n ASN 67 Cb 0.00 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.33 2hc5 n ASN 67 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2hc5 s GLU 68 N 0.00 2.09 -0.24 -3.83 0.41 0.61 -5.12 118.70 112.62 2hc5 s GLU 68 Ca 0.00 -1.27 -0.06 0.00 -0.41 0.00 0.00 54.97 53.24 2hc5 s GLU 68 Cb 0.00 -2.17 0.12 0.00 -1.78 0.00 0.00 34.13 30.30 2hc5 s GLU 68 CO 0.00 0.43 0.46 1.52 -0.49 0.00 0.00 175.26 177.19 2hc5 s TYR 69 N -1.74 -0.98 0.38 1.61 1.13 -1.26 0.20 117.35 116.69 2hc5 s TYR 69 Ca 0.25 1.49 0.03 0.00 -1.41 0.00 0.00 57.07 57.44 2hc5 s TYR 69 Cb -0.09 0.34 -0.04 0.00 -1.10 0.00 0.00 41.96 41.07 2hc5 s TYR 69 CO 0.16 -0.62 0.10 1.52 -2.51 0.00 0.00 175.55 174.20 2hc5 s TYR 70 N 2.67 1.84 -0.29 -3.49 -0.85 -0.91 -4.35 117.35 111.96 2hc5 s TYR 70 Ca 0.04 -1.15 -0.13 0.00 -0.52 0.00 0.00 57.07 55.31 2hc5 s TYR 70 Cb -0.13 -1.22 -0.04 0.00 0.38 0.00 0.00 41.96 40.95 2hc5 s TYR 70 CO -0.15 -0.17 0.27 0.08 -1.52 0.00 0.00 175.55 174.06 2hc5 s VAL 71 N -3.25 5.25 -0.21 -3.49 1.01 0.00 -2.23 120.40 117.49 2hc5 s VAL 71 Ca 0.28 0.23 -0.28 0.00 0.00 0.00 0.00 61.98 62.21 2hc5 s VAL 71 Cb 0.05 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2hc5 s VAL 71 CO 0.14 0.15 0.96 -0.54 0.00 0.00 0.00 175.10 175.81 2hc5 s LYS 72 N 1.88 4.27 -0.36 2.72 1.02 0.12 -0.44 119.74 128.95 2hc5 s LYS 72 Ca 0.10 1.22 -0.16 0.00 0.02 0.00 0.00 55.97 57.15 2hc5 s LYS 72 Cb -0.16 -3.62 -0.00 0.00 -0.52 0.00 0.00 37.83 33.52 2hc5 s LYS 72 CO 0.11 -0.53 0.40 0.08 -0.92 0.00 0.00 175.35 174.49 2hc5 s VAL 73 N 2.84 5.13 -0.22 3.17 1.01 0.14 -1.41 120.40 131.05 2hc5 s VAL 73 Ca 0.42 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 2hc5 s VAL 73 Cb -0.16 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.36 2hc5 s VAL 73 CO 0.09 -0.17 -0.11 -0.63 0.00 0.00 0.00 175.10 174.28 2hc5 s ILE 74 N 2.11 2.63 -0.46 2.22 1.01 0.30 -1.24 121.20 127.77 2hc5 s ILE 74 Ca 0.13 -0.97 -0.28 0.00 0.00 0.00 0.00 60.65 59.53 2hc5 s ILE 74 Cb -0.16 -2.26 0.01 0.00 0.01 0.00 0.00 42.46 40.05 2hc5 s ILE 74 CO 0.12 0.32 1.40 -0.70 0.00 0.00 0.00 174.94 176.09 2hc5 s GLU 75 N 1.32 3.48 0.35 2.79 2.12 -1.13 -0.02 118.70 127.61 2hc5 s GLU 75 Ca 0.02 0.76 0.26 0.00 0.36 0.00 0.00 54.97 56.37 2hc5 s GLU 75 Cb -0.15 -4.05 1.23 0.00 0.26 0.00 0.00 34.13 31.41 2hc5 s GLU 75 CO -0.07 -1.69 1.79 0.22 -0.54 0.00 0.00 175.26 174.97 2hc5 h ASP 76 N 10.80 0.00 0.99 -1.70 3.58 -1.71 0.55 116.42 128.93 2hc5 h ASP 76 Ca -0.27 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.03 2hc5 h ASP 76 Cb 1.10 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.13 2hc5 h ASP 76 CO 1.12 0.00 -0.69 0.77 -2.88 0.00 0.00 179.24 177.56 2hc5 h SER 77 N 0.00 0.00 0.00 2.28 4.64 -1.90 -3.28 113.55 115.29 2hc5 h SER 77 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hc5 h SER 77 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2hc5 h SER 77 CO 0.00 0.69 -1.64 0.35 -0.87 0.00 0.00 176.83 175.36 2hc5 n THR 78 N -3.46 0.00 -1.45 2.95 -2.24 -0.45 -5.00 114.28 104.63 2hc5 n THR 78 Ca 0.00 -0.33 -0.14 0.00 -2.27 0.00 0.00 64.05 61.31 2hc5 n THR 78 Cb 0.74 0.19 -0.06 0.00 -2.10 0.00 0.00 70.33 69.10 2hc5 n THR 78 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2hc5 n ASN 79 N -1.99 -4.70 -4.58 3.42 4.13 0.18 -4.99 115.26 106.72 2hc5 n ASN 79 Ca -0.03 0.34 -0.26 0.00 1.68 0.00 0.00 54.58 56.31 2hc5 n ASN 79 Cb 0.38 -3.48 -0.09 0.00 -1.54 0.00 0.00 39.78 35.05 2hc5 n ASN 79 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 2hc5 s GLU 80 N -3.27 2.09 -0.76 3.52 -1.05 -1.25 -4.96 118.70 113.02 2hc5 s GLU 80 Ca 0.00 -1.30 -0.25 0.00 -0.15 0.00 0.00 54.97 53.26 2hc5 s GLU 80 Cb 0.00 -2.15 0.05 0.00 -0.44 0.00 0.00 34.13 31.59 2hc5 s GLU 80 CO 0.00 0.42 1.23 0.08 0.95 0.00 0.00 175.26 177.94 2hc5 s VAL 81 N -1.82 3.92 -0.75 1.83 1.01 -1.26 -2.85 120.40 120.47 2hc5 s VAL 81 Ca 0.26 0.02 0.26 0.00 0.00 0.00 0.00 61.98 62.52 2hc5 s VAL 81 Cb -0.08 -4.88 0.20 0.00 0.00 0.00 0.00 36.38 31.62 2hc5 s VAL 81 CO 0.16 -1.77 1.65 2.30 0.00 0.00 0.00 175.10 177.44 2hc5 n ILE 82 N 6.31 0.43 -3.55 2.22 -5.35 -0.37 -4.89 119.36 114.15 2hc5 n ILE 82 Ca 0.06 -0.23 -0.12 0.00 -0.27 0.00 0.00 62.75 62.19 2hc5 n ILE 82 Cb 0.48 -0.40 -0.05 0.00 -1.74 0.00 0.00 39.64 37.93 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 -3.10 0.73 -0.30 6.28 6.06 -1.12 -5.02 118.95 122.48 2hc5 s ARG 83 Ca 0.10 0.12 0.02 0.00 -2.50 0.00 0.00 55.73 53.47 2hc5 s ARG 83 Cb 0.14 0.34 0.09 0.00 0.06 0.00 0.00 34.95 35.58 2hc5 s ARG 83 CO 0.63 -0.24 0.03 -1.21 -2.50 0.00 0.00 175.30 172.01 2hc5 s GLU 84 N -1.35 1.34 -0.28 5.12 2.02 -1.26 0.27 118.70 124.55 2hc5 s GLU 84 Ca -0.03 -1.38 -0.12 0.00 0.02 0.00 0.00 54.97 53.46 2hc5 s GLU 84 Cb -0.00 -2.68 -0.05 0.00 0.10 0.00 0.00 34.13 31.50 2hc5 s GLU 84 CO 0.02 -0.84 0.22 0.42 0.02 0.00 0.00 175.26 175.10 2hc5 s ILE 85 N 1.25 5.29 0.49 -1.63 1.01 0.41 -4.90 121.20 123.12 2hc5 s ILE 85 Ca 0.05 0.24 -0.23 0.00 0.00 0.00 0.00 60.65 60.71 2hc5 s ILE 85 Cb -0.19 -3.56 -0.07 0.00 0.01 0.00 0.00 42.46 38.66 2hc5 s ILE 85 CO -0.12 0.24 1.29 -2.16 0.00 0.00 0.00 174.94 174.19 2hc5 s PRO 86 N 1.78 3.53 0.60 2.79 0.04 -1.26 -0.82 135.00 141.66 2hc5 s PRO 86 Ca 0.08 2.08 0.35 0.00 0.04 0.00 0.00 61.00 63.55 2hc5 s PRO 86 Cb -0.16 -2.42 1.92 0.00 0.04 0.00 0.00 34.50 33.88 2hc5 s PRO 86 CO 0.11 -0.83 2.24 -1.00 0.04 0.00 0.00 177.00 177.55 2hc5 h PRO 87 N 1.93 0.00 0.00 0.56 0.13 -1.95 0.06 132.00 132.73 2hc5 h PRO 87 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2hc5 h PRO 87 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2hc5 h PRO 87 CO 0.59 0.03 0.00 1.57 -0.23 0.00 0.00 178.00 179.96 2hc5 h LYS 88 N 0.00 0.00 -0.11 0.86 2.10 -1.94 -2.70 116.57 114.78 2hc5 h LYS 88 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2hc5 h LYS 88 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 2hc5 h LYS 88 CO 0.00 0.00 0.00 0.54 -2.00 0.00 0.00 179.45 177.99 2hc5 n ARG 89 N -2.50 2.25 0.18 0.07 1.74 -0.08 -4.47 116.66 113.85 2hc5 n ARG 89 Ca 0.03 -1.52 0.04 0.00 -0.77 0.00 0.00 57.85 55.63 2hc5 n ARG 89 Cb 0.36 -1.10 0.32 0.00 -1.02 0.00 0.00 32.46 31.02 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 0.82 0.00 -0.23 -1.55 2.91 -0.96 -2.58 115.95 114.36 2hc5 h TRP 90 Ca 0.00 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.98 2hc5 h TRP 90 Cb 0.51 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.15 2hc5 h TRP 90 CO 0.07 0.43 0.01 -0.07 -1.03 0.00 0.00 178.44 177.85 2hc5 h LEU 91 N 0.00 0.40 -0.89 0.65 3.38 -1.78 0.16 115.31 117.23 2hc5 h LEU 91 Ca -0.00 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 2hc5 h LEU 91 Cb 0.88 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 2hc5 h LEU 91 CO 0.06 0.60 0.54 0.44 0.09 0.00 0.00 178.44 180.16 2hc5 h ASP 92 N 0.19 1.07 -0.41 -0.43 5.19 -1.82 0.85 116.42 121.05 2hc5 h ASP 92 Ca 0.07 -0.07 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 2hc5 h ASP 92 Cb 0.39 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 2hc5 h ASP 92 CO 0.01 0.82 0.07 0.15 -3.12 0.00 0.00 179.24 177.17 2hc5 h PHE 93 N 1.22 0.72 -0.85 4.55 3.57 -1.24 -1.50 116.94 123.41 2hc5 h PHE 93 Ca 0.32 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 2hc5 h PHE 93 Cb -0.05 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.45 2hc5 h PHE 93 CO 0.00 0.70 0.45 -0.92 -2.23 0.00 0.00 178.31 176.32 2hc5 h TYR 94 N 0.53 1.18 0.09 0.41 3.20 -0.14 0.51 116.97 122.76 2hc5 h TYR 94 Ca 0.13 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 2hc5 h TYR 94 Cb 0.37 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.26 2hc5 h TYR 94 CO 0.03 0.83 -0.04 0.00 -1.64 0.00 0.00 178.16 177.33 2hc5 h ALA 95 N 1.30 -0.12 -0.87 1.82 0.00 -0.59 0.65 119.26 121.45 2hc5 h ALA 95 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2hc5 h ALA 95 Cb 0.05 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2hc5 h ALA 95 CO -0.05 -0.54 0.56 0.00 0.00 0.00 0.00 179.25 179.22 2hc5 h ALA 96 N 0.73 1.34 -0.15 0.00 0.00 -1.00 -2.41 119.26 117.77 2hc5 h ALA 96 Ca -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2hc5 h ALA 96 Cb 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2hc5 h ALA 96 CO 0.02 0.59 0.05 0.52 0.00 0.00 0.00 179.25 180.43 2hc5 h MET 97 N 1.19 0.23 0.00 0.00 2.07 -0.56 -2.54 114.93 115.32 2hc5 h MET 97 Ca 0.32 -0.05 -0.04 0.00 -2.07 0.00 0.00 59.70 57.85 2hc5 h MET 97 Cb -0.10 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 29.59 2hc5 h MET 97 CO -0.06 0.36 -0.20 0.00 1.07 0.00 0.00 176.91 178.08 2hc5 h THR 98 N 0.06 0.60 -0.09 2.22 1.03 -0.60 0.74 112.91 116.87 2hc5 h THR 98 Ca 0.05 -0.93 -0.16 0.00 -0.01 0.00 0.00 66.41 65.36 2hc5 h THR 98 Cb 0.23 1.61 0.01 0.00 -1.07 0.00 0.00 68.15 68.92 2hc5 h THR 98 CO -0.00 0.20 -0.56 -0.33 -0.01 0.00 0.00 175.52 174.81 2hc5 h GLU 99 N 0.00 0.53 0.00 0.00 5.08 -1.34 -1.75 114.58 117.10 2hc5 h GLU 99 Ca -0.00 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 2hc5 h GLU 99 Cb 0.59 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 2hc5 h GLU 99 CO 0.03 1.09 -0.14 0.35 -1.00 0.00 0.00 179.01 179.34 2hc5 h PHE 100 N 0.13 0.00 0.00 4.33 3.57 -1.05 -3.31 116.94 120.61 2hc5 h PHE 100 Ca -0.05 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 2hc5 h PHE 100 Cb 1.22 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 2hc5 h PHE 100 CO 0.12 0.54 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.67 2hc5 h LEU 101 N -1.00 0.00 0.00 0.59 -0.00 0.32 -1.09 115.31 114.12 2hc5 h LEU 101 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 2hc5 h LEU 101 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 2hc5 h LEU 101 CO -0.02 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.04 2hc5 n GLY 102 N -0.15 -0.99 0.05 0.83 0.00 -0.66 -1.71 105.19 102.57 2hc5 n GLY 102 Ca -0.00 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.92 0.65 -1.65 0.99 4.77 -0.41 -3.82 117.00 116.61 2hc5 n LEU 103 Ca 0.20 0.15 0.08 0.00 -0.03 0.00 0.00 56.01 56.41 2hc5 n LEU 103 Cb 0.09 -0.17 0.37 0.00 -2.33 0.00 0.00 43.42 41.38 2hc5 n LEU 103 CO 0.15 -0.01 0.83 0.49 -1.33 0.00 0.00 177.39 177.52 2hc5 n PHE 104 N -2.01 1.69 -1.97 -1.77 3.01 -0.69 -4.68 117.46 111.03 2hc5 n PHE 104 Ca 0.03 -0.68 -0.25 0.00 1.01 0.00 0.00 57.45 57.56 2hc5 n PHE 104 Cb 0.43 -0.36 -0.05 0.00 -0.01 0.00 0.00 39.48 39.49 2hc5 n PHE 104 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 2hc5 s VAL 105 N -2.29 3.38 0.02 -4.37 -7.23 -1.24 -4.79 120.40 103.88 2hc5 s VAL 105 Ca 0.52 -0.29 -0.11 0.00 -1.81 0.00 0.00 61.98 60.28 2hc5 s VAL 105 Cb 0.36 -3.85 -0.06 0.00 0.56 0.00 0.00 36.38 33.39 2hc5 s VAL 105 CO 0.20 -0.80 1.17 -0.78 -0.31 0.00 0.00 175.10 174.58 2hc5 h ASP 106 N 11.71 -0.35 0.00 4.85 3.58 -1.93 -3.49 116.42 130.79 2hc5 h ASP 106 Ca 0.07 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2hc5 h ASP 106 Cb 1.01 0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.16 2hc5 h ASP 106 CO 1.18 -0.25 0.00 1.21 -2.88 0.00 0.00 179.24 178.50 2hc5 n GLU 107 N -3.11 0.00 0.08 0.28 2.13 -1.26 -4.91 120.64 113.84 2hc5 n GLU 107 Ca -0.05 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.86 2hc5 n GLU 107 Cb 0.16 0.00 0.39 0.00 0.27 0.00 0.00 31.44 32.26 2hc5 n GLU 107 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2hc5 n LYS 108 N 0.00 0.10 0.05 5.31 4.76 -1.26 -1.65 118.16 125.46 2hc5 n LYS 108 Ca 0.00 0.42 0.12 0.00 -2.87 0.00 0.00 58.31 55.97 2hc5 n LYS 108 Cb 0.00 -1.72 0.08 0.00 -1.84 0.00 0.00 35.03 31.55 2hc5 n LYS 108 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2hc5 n LYS 109 N -1.92 0.32 -0.06 1.97 4.01 -1.26 -4.40 118.16 116.82 2hc5 n LYS 109 Ca 0.02 0.04 -0.12 0.00 -0.51 0.00 0.00 58.31 57.74 2hc5 n LYS 109 Cb 0.15 -1.65 -0.05 0.00 -0.51 0.00 0.00 35.03 32.97 2hc5 n LYS 109 CO 0.00 0.00 0.00 1.37 -1.11 0.00 0.00 177.40 177.66 2hc5 h LEU 110 N 0.00 0.31 0.00 -0.35 -0.00 -1.71 -3.46 115.31 110.10 2hc5 h LEU 110 Ca 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 2hc5 h LEU 110 Cb 0.76 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 2hc5 h LEU 110 CO 0.00 0.53 0.00 1.21 -0.00 0.00 0.00 178.44 180.18 2hc5 n GLU 111 N -4.73 0.00 -1.62 0.17 2.13 -1.26 -4.88 120.64 110.45 2hc5 n GLU 111 Ca -0.05 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.35 2hc5 n GLU 111 Cb 0.22 -0.51 -0.03 0.00 0.27 0.00 0.00 31.44 31.39 2hc5 n GLU 111 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2hc5 s HIS 112 N 0.00 1.18 -0.30 4.31 3.76 -1.26 -4.83 115.29 118.15 2hc5 s HIS 112 Ca 0.00 0.68 -0.30 0.00 -0.15 0.00 0.00 55.06 55.29 2hc5 s HIS 112 Cb 0.00 -3.89 -0.07 0.00 1.11 0.00 0.00 32.58 29.73 2hc5 s HIS 112 CO 0.00 -3.82 2.25 -2.39 -0.85 0.00 0.00 174.74 169.93 2hc5 n HIS 113 N 12.22 1.77 0.00 1.40 1.44 -1.26 -3.62 115.22 127.17 2hc5 n HIS 113 Ca 0.30 0.03 0.00 0.00 -2.01 0.00 0.00 57.72 56.04 2hc5 n HIS 113 Cb 0.46 -2.66 0.00 0.00 0.12 0.00 0.00 29.99 27.92 2hc5 n HIS 113 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2hc5 n HIS 114 N 11.63 0.00 -2.35 -1.40 -0.00 -1.26 -5.09 115.22 116.75 2hc5 n HIS 114 Ca 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 58.06 2hc5 n HIS 114 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.38 2hc5 n HIS 114 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2hc5 n HIS 115 N 0.00 -2.73 -3.84 1.57 -0.00 -1.24 -5.03 115.22 103.96 2hc5 n HIS 115 Ca 0.00 1.20 -0.36 0.00 0.46 0.00 0.00 57.72 59.02 2hc5 n HIS 115 Cb 0.00 -3.25 -0.13 0.00 -0.12 0.00 0.00 29.99 26.49 2hc5 n HIS 115 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2hc5 s HIS 116 N -1.25 3.02 0.00 1.57 5.04 -1.26 -5.22 115.29 117.19 2hc5 s HIS 116 Ca 0.02 -0.67 0.00 0.00 -1.54 0.00 0.00 55.06 52.87 2hc5 s HIS 116 Cb -0.01 -2.17 0.00 0.00 0.04 0.00 0.00 32.58 30.44 2hc5 s HIS 116 CO 0.54 -0.44 0.00 1.58 -2.34 0.00 0.00 174.74 174.08