#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 1.44 0.00 -1.43 2.20 -1.26 -4.84 114.94 111.05 2hc5 s ASN 2 Ca 0.00 -0.22 0.28 0.00 -0.94 0.00 0.00 52.86 51.97 2hc5 s ASN 2 Cb 0.00 -0.19 1.01 0.00 -2.00 0.00 0.00 41.25 40.07 2hc5 s ASN 2 CO 0.00 0.14 1.72 0.00 -2.94 0.00 0.00 177.10 176.02 2hc5 n ILE 3 N 2.84 0.00 1.26 0.54 3.06 -1.26 -3.75 119.36 122.05 2hc5 n ILE 3 Ca -0.14 -0.10 0.11 0.00 -2.50 0.00 0.00 62.75 60.11 2hc5 n ILE 3 Cb 0.55 0.17 0.63 0.00 0.54 0.00 0.00 39.64 41.53 2hc5 n ILE 3 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2hc5 n GLU 4 N -0.73 0.52 -0.12 9.51 1.02 -1.26 -2.01 120.64 127.58 2hc5 n GLU 4 Ca 0.14 0.04 0.06 0.00 -0.02 0.00 0.00 57.16 57.38 2hc5 n GLU 4 Cb 0.31 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.31 2hc5 n GLU 4 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2hc5 n ARG 5 N -1.15 1.37 -2.70 3.49 1.74 -1.25 -4.87 116.66 113.29 2hc5 n ARG 5 Ca 0.14 -1.98 -0.42 0.00 -0.77 0.00 0.00 57.85 54.81 2hc5 n ARG 5 Cb 0.13 -1.18 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 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 -1.87 4.10 0.01 0.55 2.96 -0.85 -4.74 118.68 118.84 2hc5 s LEU 6 Ca 0.18 -1.72 0.24 0.00 -0.22 0.00 0.00 54.13 52.61 2hc5 s LEU 6 Cb 0.16 -2.51 0.28 0.00 0.50 0.00 0.00 46.19 44.63 2hc5 s LEU 6 CO 0.02 -1.32 1.25 0.35 -1.32 0.00 0.00 176.35 175.33 2hc5 n THR 7 N 6.33 0.02 -4.35 3.68 -2.24 -1.26 0.19 114.28 116.65 2hc5 n THR 7 Ca 0.30 -0.03 -0.18 0.00 -2.27 0.00 0.00 64.05 61.87 2hc5 n THR 7 Cb 0.50 0.42 -0.10 0.00 -2.10 0.00 0.00 70.33 69.06 2hc5 n THR 7 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2hc5 s THR 8 N -3.02 0.51 -0.04 4.28 -1.32 -1.26 -3.88 115.64 110.90 2hc5 s THR 8 Ca 0.10 -2.00 0.11 0.00 -1.21 0.00 0.00 61.69 58.69 2hc5 s THR 8 Cb 0.17 -2.58 0.20 0.00 -1.51 0.00 0.00 72.50 68.78 2hc5 s THR 8 CO 0.75 0.00 1.09 -0.11 -2.21 0.00 0.00 174.62 174.14 2hc5 n LEU 9 N -0.56 0.95 -0.22 9.08 7.94 -1.26 -4.86 117.00 128.07 2hc5 n LEU 9 Ca -0.00 -1.93 -0.04 0.00 -1.11 0.00 0.00 56.01 52.94 2hc5 n LEU 9 Cb 0.66 -0.13 0.02 0.00 0.53 0.00 0.00 43.42 44.50 2hc5 n LEU 9 CO 0.37 0.51 0.65 -0.61 -1.11 0.00 0.00 177.39 177.19 2hc5 h GLN 10 N 0.35 -0.12 -0.85 1.96 5.75 -1.99 -0.91 115.11 119.30 2hc5 h GLN 10 Ca -0.06 0.01 0.19 0.00 -0.15 0.00 0.00 58.65 58.64 2hc5 h GLN 10 Cb 1.41 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 29.93 2hc5 h GLN 10 CO 0.02 -0.08 0.57 -1.35 -2.65 0.00 0.00 178.83 175.35 2hc5 h PRO 11 N -0.12 0.38 -0.05 -2.39 0.11 -1.98 0.34 132.00 128.29 2hc5 h PRO 11 Ca 0.26 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.26 2hc5 h PRO 11 Cb 0.55 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.58 2hc5 h PRO 11 CO -0.71 0.25 -0.32 0.28 -0.21 0.00 0.00 178.00 177.29 2hc5 h VAL 12 N 0.39 1.44 -0.12 3.15 2.07 -1.55 -0.89 116.25 120.74 2hc5 h VAL 12 Ca 0.44 -1.78 -0.09 0.00 0.82 0.00 0.00 66.70 66.09 2hc5 h VAL 12 Cb 1.09 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 2hc5 h VAL 12 CO -0.15 0.51 -0.31 -0.50 0.02 0.00 0.00 177.57 177.14 2hc5 h TRP 13 N -0.22 0.27 -0.25 1.57 -0.00 -0.87 0.33 115.95 116.78 2hc5 h TRP 13 Ca -0.03 -0.06 -0.12 0.00 -0.00 0.00 0.00 58.89 58.68 2hc5 h TRP 13 Cb 0.99 -0.07 -0.00 0.00 -0.00 0.00 0.00 29.16 30.09 2hc5 h TRP 13 CO 0.14 0.53 -0.33 0.22 -0.00 0.00 0.00 178.44 179.00 2hc5 h ASP 14 N 0.21 0.71 0.16 -3.49 3.58 -0.36 -0.42 116.42 116.82 2hc5 h ASP 14 Ca 0.03 -0.50 -0.01 0.00 0.42 0.00 0.00 57.03 56.97 2hc5 h ASP 14 Cb 0.66 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.51 2hc5 h ASP 14 CO 0.05 1.07 -0.08 -0.09 -2.88 0.00 0.00 179.24 177.31 2hc5 h ARG 15 N 0.37 -0.21 -0.39 0.28 2.43 -0.86 -3.21 114.38 112.79 2hc5 h ARG 15 Ca 0.03 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2hc5 h ARG 15 Cb 0.91 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.47 2hc5 h ARG 15 CO 0.08 0.03 0.19 -0.92 -1.51 0.00 0.00 179.97 177.83 2hc5 h TYR 16 N -0.42 0.34 -0.65 2.20 3.20 -0.36 0.38 116.97 121.65 2hc5 h TYR 16 Ca -0.02 0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.97 2hc5 h TYR 16 Cb 0.33 -0.10 -0.08 0.00 1.54 0.00 0.00 36.73 38.43 2hc5 h TYR 16 CO -0.00 0.17 0.24 0.22 -1.64 0.00 0.00 178.16 177.15 2hc5 h ASP 17 N 0.38 0.22 0.39 -2.11 1.82 -1.12 -0.81 116.42 115.19 2hc5 h ASP 17 Ca 0.17 0.09 -0.31 0.00 -0.39 0.00 0.00 57.03 56.58 2hc5 h ASP 17 Cb 0.09 0.08 -0.03 0.00 0.68 0.00 0.00 39.33 40.14 2hc5 h ASP 17 CO -0.12 0.12 -1.75 0.74 -1.61 0.00 0.00 179.24 176.62 2hc5 h THR 18 N 0.40 0.85 0.00 2.25 2.02 -1.49 -3.35 112.91 113.60 2hc5 h THR 18 Ca 0.34 -2.63 -0.04 0.00 0.77 0.00 0.00 66.41 64.84 2hc5 h THR 18 Cb 0.45 2.51 -0.01 0.00 -1.74 0.00 0.00 68.15 69.36 2hc5 h THR 18 CO -0.34 0.67 -0.20 -0.61 0.37 0.00 0.00 175.52 175.41 2hc5 h GLN 19 N 0.03 0.00 0.00 6.66 5.75 0.05 -0.21 115.11 127.39 2hc5 h GLN 19 Ca -0.31 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.19 2hc5 h GLN 19 Cb 2.01 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.56 2hc5 h GLN 19 CO 0.10 0.20 0.00 0.82 -2.65 0.00 0.00 178.83 177.30 2hc5 h ILE 20 N 0.00 0.00 0.00 2.39 1.08 -1.29 0.20 117.51 119.89 2hc5 h ILE 20 Ca -0.00 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 2hc5 h ILE 20 Cb 0.42 1.02 0.00 0.00 -3.07 0.00 0.00 36.82 35.19 2hc5 h ILE 20 CO 0.03 0.00 0.00 1.41 -0.69 0.00 0.00 178.15 178.90 2hc5 n HIS 21 N -2.95 0.86 0.00 1.37 8.25 -0.09 -4.23 115.22 118.43 2hc5 n HIS 21 Ca -0.02 0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 2hc5 n HIS 21 Cb 0.11 -0.97 0.00 0.00 1.12 0.00 0.00 29.99 30.25 2hc5 n HIS 21 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2hc5 n ASN 22 N -2.24 0.00 -2.76 0.41 2.85 0.03 -5.09 115.26 108.46 2hc5 n ASN 22 Ca 0.04 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.48 2hc5 n ASN 22 Cb 0.33 -0.01 -0.02 0.00 1.24 0.00 0.00 39.78 41.32 2hc5 n ASN 22 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2hc5 n GLN 23 N -1.39 -3.46 -3.63 1.20 1.13 -1.05 -5.07 117.38 105.10 2hc5 n GLN 23 Ca 0.00 2.74 -0.16 0.00 -1.94 0.00 0.00 57.00 57.64 2hc5 n GLN 23 Cb 0.00 -4.29 -0.05 0.00 0.11 0.00 0.00 30.24 26.01 2hc5 n GLN 23 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2hc5 n LYS 24 N 1.45 0.48 -1.92 -1.09 4.81 -1.26 -5.07 118.16 115.57 2hc5 n LYS 24 Ca -0.20 -2.39 -0.02 0.00 -0.87 0.00 0.00 58.31 54.84 2hc5 n LYS 24 Cb 0.35 1.63 -0.01 0.00 0.02 0.00 0.00 35.03 37.02 2hc5 n LYS 24 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2hc5 n ASP 25 N -1.89 -1.98 -0.48 3.14 8.00 -1.26 -5.01 116.55 117.07 2hc5 n ASP 25 Ca 0.01 0.51 0.02 0.00 0.71 0.00 0.00 54.79 56.04 2hc5 n ASP 25 Cb 0.43 -2.60 0.03 0.00 -0.02 0.00 0.00 41.12 38.96 2hc5 n ASP 25 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2hc5 n ASN 26 N 0.55 0.56 -2.03 -2.24 2.04 -1.26 -4.82 115.26 108.06 2hc5 n ASN 26 Ca -0.13 -2.25 0.00 0.00 -0.44 0.00 0.00 54.58 51.77 2hc5 n ASN 26 Cb 0.19 -0.26 0.00 0.00 -2.53 0.00 0.00 39.78 37.19 2hc5 n ASN 26 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 2hc5 n ASP 27 N -0.27 0.00 -0.09 0.53 9.92 -1.26 -5.05 116.55 120.33 2hc5 n ASP 27 Ca 0.04 -0.79 -0.19 0.00 -0.53 0.00 0.00 54.79 53.32 2hc5 n ASP 27 Cb 0.72 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 41.07 2hc5 n ASP 27 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2hc5 n ASN 28 N -2.37 2.03 -1.73 -2.24 5.15 -1.26 -4.42 115.26 110.42 2hc5 n ASN 28 Ca 0.00 -0.02 -0.13 0.00 -0.60 0.00 0.00 54.58 53.82 2hc5 n ASN 28 Cb 0.00 -0.56 0.05 0.00 -0.53 0.00 0.00 39.78 38.74 2hc5 n ASN 28 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2hc5 n GLU 29 N -3.34 1.66 -3.78 1.20 1.02 -1.26 -4.79 120.64 111.35 2hc5 n GLU 29 Ca -0.41 -1.39 -0.13 0.00 -0.02 0.00 0.00 57.16 55.20 2hc5 n GLU 29 Cb 1.01 -1.54 -0.14 0.00 -0.02 0.00 0.00 31.44 30.74 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 -1.84 -0.03 -1.18 2.62 0.11 -1.26 -5.07 120.40 113.75 2hc5 s VAL 30 Ca 0.27 0.12 -0.21 0.00 -2.93 0.00 0.00 61.98 59.23 2hc5 s VAL 30 Cb 0.22 -0.21 -0.06 0.00 -1.53 0.00 0.00 36.38 34.80 2hc5 s VAL 30 CO 0.02 0.05 1.90 -0.81 -3.33 0.00 0.00 175.10 172.93 2hc5 n PRO 31 N 3.82 1.98 -3.56 1.54 -0.04 -1.26 -4.80 135.00 132.67 2hc5 n PRO 31 Ca -0.22 -2.59 -0.14 0.00 -0.04 0.00 0.00 63.50 60.51 2hc5 n PRO 31 Cb 0.54 -3.59 -0.06 0.00 -0.04 0.00 0.00 33.50 30.35 2hc5 n PRO 31 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2hc5 s VAL 32 N 8.73 0.00 0.00 0.52 0.11 -1.26 -4.94 120.40 123.56 2hc5 s VAL 32 Ca 0.64 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 2hc5 s VAL 32 Cb 0.02 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 2hc5 s VAL 32 CO 0.12 0.00 0.00 1.41 -3.33 0.00 0.00 175.10 173.30 2hc5 n HIS 33 N 1.14 0.00 -1.64 1.54 8.25 -1.26 -4.85 115.22 118.40 2hc5 n HIS 33 Ca -0.15 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.90 2hc5 n HIS 33 Cb 0.57 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.64 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 -0.29 2.26 -2.89 -0.41 6.02 -1.26 -4.86 117.38 115.96 2hc5 n GLN 34 Ca 0.00 -2.38 -0.10 0.00 -0.01 0.00 0.00 57.00 54.51 2hc5 n GLN 34 Cb 0.00 -3.21 -0.02 0.00 1.02 0.00 0.00 30.24 28.02 2hc5 n GLN 34 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2hc5 n VAL 35 N 5.85 0.00 -3.81 5.09 0.24 -1.26 -5.10 118.33 119.34 2hc5 n VAL 35 Ca 0.50 -0.82 -0.04 0.00 -2.04 0.00 0.00 64.34 61.94 2hc5 n VAL 35 Cb 0.41 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 2hc5 n VAL 35 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2hc5 s SER 36 N -1.93 -0.10 0.21 -1.34 0.15 -1.26 -4.97 113.70 104.46 2hc5 s SER 36 Ca 0.02 -0.62 -0.10 0.00 0.70 0.00 0.00 55.95 55.96 2hc5 s SER 36 Cb 0.00 0.57 0.23 0.00 -1.71 0.00 0.00 66.02 65.11 2hc5 s SER 36 CO 0.02 -1.09 1.80 0.22 1.20 0.00 0.00 173.24 175.39 2hc5 h TYR 37 N 2.00 0.64 -0.53 3.44 3.20 -2.02 -1.22 116.97 122.48 2hc5 h TYR 37 Ca -0.26 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.56 2hc5 h TYR 37 Cb 1.23 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 2hc5 h TYR 37 CO 0.82 0.30 0.03 1.15 -1.64 0.00 0.00 178.16 178.82 2hc5 h THR 38 N 0.65 1.25 -0.43 1.81 2.02 -1.99 -2.81 112.91 113.40 2hc5 h THR 38 Ca 0.29 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.48 2hc5 h THR 38 Cb 0.20 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 2hc5 h THR 38 CO -0.19 0.36 0.25 0.78 0.37 0.00 0.00 175.52 177.10 2hc5 h ASN 39 N 0.82 0.40 -0.15 4.18 -0.26 -1.63 1.00 115.58 119.95 2hc5 h ASN 39 Ca 0.16 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 2hc5 h ASN 39 Cb 0.45 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 2hc5 h ASN 39 CO 0.02 0.29 0.09 -0.07 -1.06 0.00 0.00 177.43 176.70 2hc5 h LEU 40 N 0.51 0.15 -0.74 1.61 -0.00 -1.25 0.79 115.31 116.38 2hc5 h LEU 40 Ca 0.17 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.04 2hc5 h LEU 40 Cb 0.02 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 40.61 2hc5 h LEU 40 CO -0.09 0.11 0.40 0.00 -0.00 0.00 0.00 178.44 178.87 2hc5 h ALA 41 N 1.06 0.95 -0.46 1.53 0.00 -1.20 -0.86 119.26 120.28 2hc5 h ALA 41 Ca 0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2hc5 h ALA 41 Cb -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2hc5 h ALA 41 CO -0.02 0.47 0.08 0.93 0.00 0.00 0.00 179.25 180.72 2hc5 h GLU 42 N 1.03 0.76 -0.66 0.00 4.39 -0.57 -2.68 114.58 116.85 2hc5 h GLU 42 Ca 0.26 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 2hc5 h GLU 42 Cb 0.05 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 2hc5 h GLU 42 CO -0.04 0.77 0.30 0.52 -1.16 0.00 0.00 179.01 179.40 2hc5 h MET 43 N 0.63 0.96 -0.92 2.33 2.86 -0.46 -1.12 114.93 119.22 2hc5 h MET 43 Ca 0.14 -0.16 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 2hc5 h MET 43 Cb 0.37 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 31.81 2hc5 h MET 43 CO 0.01 0.78 0.60 0.28 1.06 0.00 0.00 176.91 179.64 2hc5 h VAL 44 N 0.92 1.12 0.17 -2.22 2.07 -1.07 -0.14 116.25 117.10 2hc5 h VAL 44 Ca 0.22 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2hc5 h VAL 44 Cb 0.15 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 2hc5 h VAL 44 CO -0.02 0.20 -0.08 1.23 0.02 0.00 0.00 177.57 178.92 2hc5 h GLY 45 N 1.11 -0.24 2.00 2.17 0.00 -1.05 -2.95 103.07 104.11 2hc5 h GLY 45 Ca 0.38 0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.75 2hc5 h GLY 45 CO -0.13 -0.09 -0.21 1.05 0.00 0.00 0.00 176.54 177.16 2hc5 h GLU 46 N -0.51 0.00 -0.43 4.80 4.11 -0.93 -1.05 114.58 120.57 2hc5 h GLU 46 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 2hc5 h GLU 46 Cb 0.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2hc5 h GLU 46 CO 0.04 0.21 0.20 0.52 0.07 0.00 0.00 179.01 180.06 2hc5 h MET 47 N 0.00 0.62 0.00 1.06 2.86 -1.00 -1.55 114.93 116.92 2hc5 h MET 47 Ca -0.00 -0.09 -0.09 0.00 -2.06 0.00 0.00 59.70 57.45 2hc5 h MET 47 Cb 0.52 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 2hc5 h MET 47 CO 0.03 0.54 -0.43 -0.91 1.06 0.00 0.00 176.91 177.20 2hc5 h ASN 48 N 0.55 0.00 -0.30 1.22 2.35 -1.16 -2.38 115.58 115.86 2hc5 h ASN 48 Ca 0.15 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.85 2hc5 h ASN 48 Cb 0.13 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 2hc5 h ASN 48 CO -0.02 0.43 0.03 0.11 -1.65 0.00 0.00 177.43 176.33 2hc5 h LYS 49 N 0.00 0.61 -0.04 0.81 1.79 -0.79 -2.06 116.57 116.90 2hc5 h LYS 49 Ca -0.00 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 2hc5 h LYS 49 Cb 0.83 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 2hc5 h LYS 49 CO 0.06 0.61 0.00 1.28 -1.08 0.00 0.00 179.45 180.32 2hc5 n LEU 50 N -4.28 0.91 -0.38 2.94 4.77 -0.62 -3.57 117.00 116.77 2hc5 n LEU 50 Ca 0.02 -0.33 0.07 0.00 -0.03 0.00 0.00 56.01 55.74 2hc5 n LEU 50 Cb 0.24 -0.02 0.12 0.00 -2.33 0.00 0.00 43.42 41.43 2hc5 n LEU 50 CO 0.39 0.16 0.42 0.18 -1.33 0.00 0.00 177.39 177.22 2hc5 n LEU 51 N -0.26 1.89 0.14 2.23 4.77 -0.80 -4.81 117.00 120.17 2hc5 n LEU 51 Ca 0.19 -2.80 -0.14 0.00 -0.03 0.00 0.00 56.01 53.24 2hc5 n LEU 51 Cb 0.24 -0.34 -0.08 0.00 -2.33 0.00 0.00 43.42 40.91 2hc5 n LEU 51 CO 0.15 0.76 0.62 -0.33 -1.33 0.00 0.00 177.39 177.27 2hc5 h GLU 52 N 0.30 -0.34 0.00 3.23 5.08 -1.55 -3.16 114.58 118.14 2hc5 h GLU 52 Ca -0.02 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2hc5 h GLU 52 Cb 1.15 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2hc5 h GLU 52 CO 0.01 -0.06 0.00 -0.35 -1.00 0.00 0.00 179.01 177.61 2hc5 n PRO 53 N -5.13 0.99 -2.24 2.33 -0.04 -1.26 -4.85 135.00 124.79 2hc5 n PRO 53 Ca -0.09 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.10 2hc5 n PRO 53 Cb 0.24 -1.46 0.05 0.00 -0.04 0.00 0.00 33.50 32.29 2hc5 n PRO 53 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2hc5 s SER 54 N -1.92 5.25 -0.13 3.54 0.01 -1.20 -4.09 113.70 115.16 2hc5 s SER 54 Ca 0.43 0.67 0.16 0.00 1.31 0.00 0.00 55.95 58.53 2hc5 s SER 54 Cb 0.20 -1.50 0.41 0.00 0.21 0.00 0.00 66.02 65.35 2hc5 s SER 54 CO 0.33 -1.32 1.20 0.00 0.41 0.00 0.00 173.24 173.86 2hc5 n GLN 55 N -2.79 1.03 0.17 12.44 3.00 0.13 -4.81 117.38 126.55 2hc5 n GLN 55 Ca 0.06 -2.81 0.02 0.00 -0.01 0.00 0.00 57.00 54.26 2hc5 n GLN 55 Cb 0.59 -1.06 0.28 0.00 0.00 0.00 0.00 30.24 30.05 2hc5 n GLN 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2hc5 h VAL 56 N 3.06 1.17 -2.09 5.09 2.07 -1.62 -3.42 116.25 120.51 2hc5 h VAL 56 Ca -0.08 -1.70 -0.27 0.00 0.82 0.00 0.00 66.70 65.47 2hc5 h VAL 56 Cb 1.30 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 2hc5 h VAL 56 CO 0.03 0.46 -0.36 1.41 0.02 0.00 0.00 177.57 179.13 2hc5 n HIS 57 N -3.74 -0.72 -3.09 1.57 8.25 -1.26 -4.81 115.22 111.42 2hc5 n HIS 57 Ca -0.01 0.04 -0.43 0.00 -0.26 0.00 0.00 57.72 57.06 2hc5 n HIS 57 Cb 0.53 -3.01 -0.07 0.00 1.12 0.00 0.00 29.99 28.57 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 -4.03 4.40 -0.21 2.41 1.43 -1.26 -0.47 118.68 120.96 2hc5 s LEU 58 Ca 0.02 -0.19 -0.16 0.00 -1.03 0.00 0.00 54.13 52.77 2hc5 s LEU 58 Cb -0.01 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 2hc5 s LEU 58 CO 0.03 -0.75 0.42 -0.54 0.23 0.00 0.00 176.35 175.74 2hc5 s LYS 59 N 2.86 4.16 -0.22 1.70 1.02 0.17 -4.89 119.74 124.53 2hc5 s LYS 59 Ca 0.24 0.23 -0.04 0.00 0.02 0.00 0.00 55.97 56.42 2hc5 s LYS 59 Cb -0.14 -3.56 -0.01 0.00 -0.52 0.00 0.00 37.83 33.60 2hc5 s LYS 59 CO 0.18 -0.10 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.43 2hc5 s PHE 60 N 1.49 2.97 -0.07 3.18 0.08 -1.26 -0.12 117.98 124.26 2hc5 s PHE 60 Ca 0.20 -0.86 0.05 0.00 0.12 0.00 0.00 56.93 56.44 2hc5 s PHE 60 Cb -0.15 -2.11 -0.01 0.00 -0.57 0.00 0.00 43.02 40.18 2hc5 s PHE 60 CO 0.08 -0.51 -0.23 -1.21 -0.10 0.00 0.00 175.22 173.26 2hc5 s GLU 61 N 1.45 2.64 -0.38 0.44 2.02 -0.85 -4.93 118.70 119.09 2hc5 s GLU 61 Ca 0.05 -0.87 -0.18 0.00 0.02 0.00 0.00 54.97 54.00 2hc5 s GLU 61 Cb -0.14 -2.23 0.01 0.00 0.10 0.00 0.00 34.13 31.86 2hc5 s GLU 61 CO -0.02 0.38 0.49 -1.17 0.02 0.00 0.00 175.26 174.96 2hc5 s LEU 62 N -0.15 4.53 -0.06 1.80 2.96 -1.26 -0.08 118.68 126.42 2hc5 s LEU 62 Ca -0.04 -0.29 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 2hc5 s LEU 62 Cb -0.14 -2.51 0.00 0.00 0.50 0.00 0.00 46.19 44.04 2hc5 s LEU 62 CO 0.04 -0.53 -0.17 -1.00 -1.32 0.00 0.00 176.35 173.36 2hc5 s HIS 63 N 2.32 1.85 0.24 5.38 3.76 -0.27 -4.95 115.29 123.63 2hc5 s HIS 63 Ca 0.16 -0.64 0.02 0.00 -0.15 0.00 0.00 55.06 54.46 2hc5 s HIS 63 Cb -0.16 -1.27 -0.03 0.00 1.11 0.00 0.00 32.58 32.23 2hc5 s HIS 63 CO 0.14 -0.26 0.40 0.16 -0.85 0.00 0.00 174.74 174.33 2hc5 s ASP 64 N 0.30 6.33 -0.19 1.40 1.47 -1.26 -1.50 116.67 123.21 2hc5 s ASP 64 Ca -0.11 0.24 -0.07 0.00 1.18 0.00 0.00 52.55 53.79 2hc5 s ASP 64 Cb -0.14 -1.94 0.09 0.00 -0.34 0.00 0.00 42.92 40.59 2hc5 s ASP 64 CO 0.04 -0.10 0.41 -1.59 0.68 0.00 0.00 175.17 174.61 2hc5 s LYS 65 N -3.83 0.31 0.00 2.11 -2.85 0.15 -4.95 119.74 110.68 2hc5 s LYS 65 Ca 0.36 1.00 0.00 0.00 -1.00 0.00 0.00 55.97 56.34 2hc5 s LYS 65 Cb -0.10 0.29 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 2hc5 s LYS 65 CO 0.31 -0.25 0.00 -0.11 0.10 0.00 0.00 175.35 175.39 2hc5 n LEU 66 N 5.35 0.00 0.00 2.77 0.00 -1.26 -0.68 117.00 123.18 2hc5 n LEU 66 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.92 2hc5 n LEU 66 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.92 2hc5 n LEU 66 CO 0.00 0.00 -0.12 -3.20 0.00 0.00 0.00 177.39 174.07 2hc5 n ASN 67 N 2.02 1.23 -4.83 1.96 5.15 -1.26 -5.10 115.26 114.44 2hc5 n ASN 67 Ca 0.00 -0.12 -0.22 0.00 -0.60 0.00 0.00 54.58 53.65 2hc5 n ASN 67 Cb 0.00 0.48 -0.04 0.00 -0.53 0.00 0.00 39.78 39.69 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 -0.73 2.82 -0.08 1.20 0.41 0.14 -5.12 118.70 117.35 2hc5 s GLU 68 Ca 0.00 -1.16 -0.03 0.00 -0.41 0.00 0.00 54.97 53.37 2hc5 s GLU 68 Cb 0.00 -2.52 0.04 0.00 -1.78 0.00 0.00 34.13 29.88 2hc5 s GLU 68 CO 0.00 0.27 0.15 1.52 -0.49 0.00 0.00 175.26 176.72 2hc5 s TYR 69 N -2.21 -0.17 0.26 1.61 -0.85 -1.26 0.32 117.35 115.04 2hc5 s TYR 69 Ca 0.36 0.55 0.03 0.00 -0.52 0.00 0.00 57.07 57.50 2hc5 s TYR 69 Cb -0.07 -0.18 -0.05 0.00 0.38 0.00 0.00 41.96 42.04 2hc5 s TYR 69 CO 0.25 -0.22 0.04 1.52 -1.52 0.00 0.00 175.55 175.62 2hc5 s TYR 70 N 1.78 1.64 -0.18 -3.49 1.13 -0.56 -4.24 117.35 113.43 2hc5 s TYR 70 Ca -0.03 -1.00 -0.05 0.00 -1.41 0.00 0.00 57.07 54.59 2hc5 s TYR 70 Cb -0.12 -0.98 -0.03 0.00 -1.10 0.00 0.00 41.96 39.73 2hc5 s TYR 70 CO -0.06 -0.11 -0.01 0.08 -2.51 0.00 0.00 175.55 172.95 2hc5 s VAL 71 N -3.48 4.06 -0.17 -3.49 1.01 -0.60 -1.12 120.40 116.62 2hc5 s VAL 71 Ca 0.32 -0.29 -0.17 0.00 0.00 0.00 0.00 61.98 61.84 2hc5 s VAL 71 Cb 0.07 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 2hc5 s VAL 71 CO 0.11 0.46 0.46 -0.54 0.00 0.00 0.00 175.10 175.60 2hc5 s LYS 72 N 0.63 4.24 -0.38 2.72 1.02 0.89 -0.24 119.74 128.61 2hc5 s LYS 72 Ca -0.01 0.36 -0.18 0.00 0.02 0.00 0.00 55.97 56.16 2hc5 s LYS 72 Cb -0.14 -3.51 0.01 0.00 -0.52 0.00 0.00 37.83 33.67 2hc5 s LYS 72 CO 0.02 -0.01 0.47 0.08 -0.92 0.00 0.00 175.35 175.00 2hc5 s VAL 73 N 1.18 5.05 -0.19 3.17 1.01 0.11 -2.01 120.40 128.71 2hc5 s VAL 73 Ca 0.23 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 2hc5 s VAL 73 Cb -0.15 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 2hc5 s VAL 73 CO 0.09 -0.31 -0.08 -0.63 0.00 0.00 0.00 175.10 174.17 2hc5 s ILE 74 N 2.29 3.14 -0.39 2.22 1.01 0.83 -0.96 121.20 129.33 2hc5 s ILE 74 Ca 0.16 -0.59 -0.24 0.00 0.00 0.00 0.00 60.65 59.98 2hc5 s ILE 74 Cb -0.16 -2.39 0.02 0.00 0.01 0.00 0.00 42.46 39.93 2hc5 s ILE 74 CO 0.14 0.46 0.81 -0.70 0.00 0.00 0.00 174.94 175.66 2hc5 s GLU 75 N 1.16 3.66 0.48 2.79 -6.30 -0.58 0.43 118.70 120.34 2hc5 s GLU 75 Ca 0.02 0.23 0.14 0.00 -2.50 0.00 0.00 54.97 52.85 2hc5 s GLU 75 Cb -0.14 -3.85 1.12 0.00 0.00 0.00 0.00 34.13 31.25 2hc5 s GLU 75 CO -0.02 -0.96 2.09 0.22 0.02 0.00 0.00 175.26 176.60 2hc5 h ASP 76 N 8.66 0.10 0.36 -1.70 3.58 -1.07 0.77 116.42 127.12 2hc5 h ASP 76 Ca -0.24 -0.01 -0.22 0.00 0.42 0.00 0.00 57.03 56.98 2hc5 h ASP 76 Cb 1.09 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.11 2hc5 h ASP 76 CO 0.94 0.12 -0.91 0.28 -2.88 0.00 0.00 179.24 176.79 2hc5 h SER 77 N 0.11 0.49 0.48 2.28 0.02 -1.92 -2.99 113.55 112.03 2hc5 h SER 77 Ca 0.03 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2hc5 h SER 77 Cb 0.07 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.46 2hc5 h SER 77 CO -0.00 1.18 -0.49 0.35 -1.14 0.00 0.00 176.83 176.73 2hc5 n THR 78 N -3.74 0.00 -0.76 -2.27 -2.24 -0.93 -4.94 114.28 99.39 2hc5 n THR 78 Ca -0.06 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2hc5 n THR 78 Cb 0.82 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 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 -1.45 -0.30 -4.52 3.42 5.03 0.22 -4.95 115.26 112.70 2hc5 n ASN 79 Ca 0.06 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.23 2hc5 n ASN 79 Cb 0.34 -1.31 -0.10 0.00 -1.02 0.00 0.00 39.78 37.68 2hc5 n ASN 79 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 2hc5 s GLU 80 N -0.54 1.90 -0.45 3.52 -1.05 -1.20 -4.92 118.70 115.95 2hc5 s GLU 80 Ca 0.00 -1.27 -0.28 0.00 -0.15 0.00 0.00 54.97 53.27 2hc5 s GLU 80 Cb 0.00 -2.11 0.00 0.00 -0.44 0.00 0.00 34.13 31.59 2hc5 s GLU 80 CO 0.00 0.45 1.49 0.54 0.95 0.00 0.00 175.26 178.69 2hc5 s VAL 81 N -1.50 3.78 0.11 1.83 0.11 -1.26 -1.53 120.40 121.93 2hc5 s VAL 81 Ca 0.22 0.76 -0.04 0.00 -2.93 0.00 0.00 61.98 59.99 2hc5 s VAL 81 Cb -0.09 -4.16 -0.23 0.00 -1.53 0.00 0.00 36.38 30.37 2hc5 s VAL 81 CO 0.13 -0.81 1.23 0.16 -3.33 0.00 0.00 175.10 172.48 2hc5 h ILE 82 N 6.52 1.45 -3.05 7.04 3.07 -1.41 -3.46 117.51 127.68 2hc5 h ILE 82 Ca -0.28 -2.74 -0.15 0.00 1.55 0.00 0.00 64.86 63.24 2hc5 h ILE 82 Cb 1.11 2.67 -0.25 0.00 -0.27 0.00 0.00 36.82 40.08 2hc5 h ILE 82 CO 1.11 0.81 -0.37 -0.60 -1.05 0.00 0.00 178.15 178.04 2hc5 s ARG 83 N -2.98 0.37 -0.18 0.16 3.52 -1.09 -5.05 118.95 113.70 2hc5 s ARG 83 Ca -0.05 0.33 -0.04 0.00 -0.13 0.00 0.00 55.73 55.85 2hc5 s ARG 83 Cb 0.08 0.18 -0.02 0.00 -1.56 0.00 0.00 34.95 33.63 2hc5 s ARG 83 CO 0.87 -0.05 -0.04 -1.21 -0.81 0.00 0.00 175.30 174.06 2hc5 s GLU 84 N -0.01 3.57 -0.31 5.12 2.02 -1.26 0.09 118.70 127.92 2hc5 s GLU 84 Ca -0.02 -0.56 -0.08 0.00 0.02 0.00 0.00 54.97 54.33 2hc5 s GLU 84 Cb -0.02 -2.94 0.01 0.00 0.10 0.00 0.00 34.13 31.27 2hc5 s GLU 84 CO 0.01 0.10 0.11 0.42 0.02 0.00 0.00 175.26 175.92 2hc5 s ILE 85 N 0.73 4.21 0.71 -1.63 1.01 0.67 -4.98 121.20 121.92 2hc5 s ILE 85 Ca -0.02 -0.63 -0.13 0.00 0.00 0.00 0.00 60.65 59.88 2hc5 s ILE 85 Cb -0.15 -3.18 0.02 0.00 0.01 0.00 0.00 42.46 39.17 2hc5 s ILE 85 CO 0.02 0.05 1.09 -2.16 0.00 0.00 0.00 174.94 173.94 2hc5 s PRO 86 N 1.54 2.59 0.23 2.79 0.04 -1.26 -1.55 135.00 139.37 2hc5 s PRO 86 Ca 0.03 1.24 -0.11 0.00 0.04 0.00 0.00 61.00 62.20 2hc5 s PRO 86 Cb -0.17 -1.93 0.31 0.00 0.04 0.00 0.00 34.50 32.75 2hc5 s PRO 86 CO 0.04 -1.40 1.62 -1.35 0.04 0.00 0.00 177.00 175.95 2hc5 h PRO 87 N -0.55 0.02 -0.12 0.56 0.11 -1.96 -1.18 132.00 128.87 2hc5 h PRO 87 Ca -0.45 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 2hc5 h PRO 87 Cb 1.23 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2hc5 h PRO 87 CO 0.53 0.01 -0.14 1.57 -0.21 0.00 0.00 178.00 179.76 2hc5 h LYS 88 N 0.02 0.19 -0.12 1.05 2.10 -1.94 -2.53 116.57 115.35 2hc5 h LYS 88 Ca 0.35 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.96 2hc5 h LYS 88 Cb 0.56 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 2hc5 h LYS 88 CO -0.72 0.34 0.00 0.54 -2.00 0.00 0.00 179.45 177.62 2hc5 n ARG 89 N -4.28 2.12 0.15 0.07 1.74 -0.48 -3.71 116.66 112.26 2hc5 n ARG 89 Ca -0.01 -1.65 -0.00 0.00 -0.77 0.00 0.00 57.85 55.42 2hc5 n ARG 89 Cb 0.27 -1.47 0.24 0.00 -1.02 0.00 0.00 32.46 30.47 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 3.73 0.05 -0.29 -1.55 2.91 -1.08 -3.01 115.95 116.71 2hc5 h TRP 90 Ca 0.00 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.00 2hc5 h TRP 90 Cb 0.80 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.43 2hc5 h TRP 90 CO 0.07 0.54 0.17 -0.07 -1.03 0.00 0.00 178.44 178.12 2hc5 h LEU 91 N 0.03 0.34 -0.59 0.65 3.38 -1.71 0.27 115.31 117.69 2hc5 h LEU 91 Ca -0.00 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 2hc5 h LEU 91 Cb 0.92 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2hc5 h LEU 91 CO 0.07 0.29 -0.49 -0.78 0.09 0.00 0.00 178.44 177.62 2hc5 h ASP 92 N 0.37 0.60 -0.47 -0.43 3.58 -1.79 -0.90 116.42 117.37 2hc5 h ASP 92 Ca 0.10 -0.30 -0.01 0.00 0.42 0.00 0.00 57.03 57.25 2hc5 h ASP 92 Cb 0.01 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 2hc5 h ASP 92 CO -0.02 0.99 0.26 0.15 -2.88 0.00 0.00 179.24 177.73 2hc5 h PHE 93 N 0.43 0.64 -0.78 0.28 3.57 -1.32 0.35 116.94 120.11 2hc5 h PHE 93 Ca 0.02 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 2hc5 h PHE 93 Cb 1.01 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.51 2hc5 h PHE 93 CO 0.04 0.48 0.41 -0.92 -2.23 0.00 0.00 178.31 176.08 2hc5 h TYR 94 N 0.61 1.09 -0.37 0.41 3.20 -0.28 0.14 116.97 121.77 2hc5 h TYR 94 Ca 0.16 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 2hc5 h TYR 94 Cb 0.05 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 2hc5 h TYR 94 CO -0.02 0.78 0.14 0.00 -1.64 0.00 0.00 178.16 177.42 2hc5 h ALA 95 N 1.21 0.49 -0.27 1.82 0.00 -0.70 -1.51 119.26 120.30 2hc5 h ALA 95 Ca 0.27 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2hc5 h ALA 95 Cb 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2hc5 h ALA 95 CO -0.04 0.10 0.15 0.00 0.00 0.00 0.00 179.25 179.45 2hc5 h ALA 96 N 0.99 0.34 -0.75 0.00 0.00 0.11 -0.92 119.26 119.02 2hc5 h ALA 96 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2hc5 h ALA 96 Cb 0.20 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2hc5 h ALA 96 CO -0.01 -0.24 0.33 0.52 0.00 0.00 0.00 179.25 179.85 2hc5 h MET 97 N 0.31 1.09 -0.04 0.00 2.07 -0.58 -0.52 114.93 117.26 2hc5 h MET 97 Ca 0.11 -0.17 -0.23 0.00 -2.07 0.00 0.00 59.70 57.34 2hc5 h MET 97 Cb 0.02 -0.19 0.01 0.00 -1.87 0.00 0.00 31.60 29.56 2hc5 h MET 97 CO -0.06 0.86 -0.90 1.79 1.07 0.00 0.00 176.91 179.66 2hc5 h THR 98 N 1.07 1.35 -0.12 2.22 1.35 -1.05 0.56 112.91 118.30 2hc5 h THR 98 Ca 0.25 -2.28 -0.07 0.00 -0.55 0.00 0.00 66.41 63.77 2hc5 h THR 98 Cb 0.15 2.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 2hc5 h THR 98 CO -0.03 0.69 -0.24 -0.33 -0.25 0.00 0.00 175.52 175.36 2hc5 h GLU 99 N 0.32 0.21 0.00 4.72 5.08 -0.96 -0.69 114.58 123.26 2hc5 h GLU 99 Ca -0.08 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2hc5 h GLU 99 Cb 1.53 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.76 2hc5 h GLU 99 CO 0.17 0.44 -0.17 0.35 -1.00 0.00 0.00 179.01 178.80 2hc5 h PHE 100 N 0.19 0.00 0.00 4.33 3.57 -0.92 -3.36 116.94 120.74 2hc5 h PHE 100 Ca 0.03 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.44 2hc5 h PHE 100 Cb 0.53 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 2hc5 h PHE 100 CO 0.01 0.28 -0.46 -0.07 -2.23 0.00 0.00 178.31 175.84 2hc5 h LEU 101 N -1.00 0.00 0.00 0.59 3.38 0.05 -2.43 115.31 115.90 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 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2hc5 h LEU 101 CO -0.01 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.58 2hc5 n GLY 102 N 0.34 -0.82 0.10 0.83 0.00 -0.27 -1.18 105.19 104.19 2hc5 n GLY 102 Ca -0.00 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.23 0.64 -0.59 0.99 4.77 -0.92 -3.80 117.00 116.85 2hc5 n LEU 103 Ca 0.10 -0.05 0.06 0.00 -0.03 0.00 0.00 56.01 56.08 2hc5 n LEU 103 Cb 0.13 -0.22 0.16 0.00 -2.33 0.00 0.00 43.42 41.16 2hc5 n LEU 103 CO 0.13 0.13 0.63 0.49 -1.33 0.00 0.00 177.39 177.44 2hc5 n PHE 104 N -1.14 0.50 -2.18 -1.77 3.72 -0.33 -4.69 117.46 111.57 2hc5 n PHE 104 Ca 0.09 -0.61 -0.32 0.00 -0.05 0.00 0.00 57.45 56.56 2hc5 n PHE 104 Cb 0.33 -0.10 -0.01 0.00 -0.94 0.00 0.00 39.48 38.76 2hc5 n PHE 104 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2hc5 s VAL 105 N -1.49 4.18 -1.08 -4.37 -7.23 -1.23 -4.63 120.40 104.54 2hc5 s VAL 105 Ca 0.25 1.01 -0.16 0.00 -1.81 0.00 0.00 61.98 61.27 2hc5 s VAL 105 Cb 0.16 -3.55 0.15 0.00 0.56 0.00 0.00 36.38 33.69 2hc5 s VAL 105 CO 0.12 -0.63 1.31 -0.62 -0.31 0.00 0.00 175.10 174.97 2hc5 s ASP 106 N -3.01 6.85 0.00 4.85 2.15 -1.26 -4.93 116.67 121.33 2hc5 s ASP 106 Ca 0.61 -2.52 0.00 0.00 0.43 0.00 0.00 52.55 51.07 2hc5 s ASP 106 Cb -0.13 -2.41 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 2hc5 s ASP 106 CO 0.36 -0.92 0.00 1.21 -0.17 0.00 0.00 175.17 175.65 2hc5 n GLU 107 N 6.23 0.00 -0.32 4.34 2.13 -1.26 -1.19 120.64 130.57 2hc5 n GLU 107 Ca 0.31 0.00 0.17 0.00 0.66 0.00 0.00 57.16 58.30 2hc5 n GLU 107 Cb 0.46 0.00 0.37 0.00 0.27 0.00 0.00 31.44 32.53 2hc5 n GLU 107 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2hc5 h LYS 108 N 0.00 0.42 -0.93 5.31 3.64 -1.97 0.19 116.57 123.24 2hc5 h LYS 108 Ca 0.00 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 2hc5 h LYS 108 Cb 0.00 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 31.66 2hc5 h LYS 108 CO 0.00 0.28 0.14 1.63 -2.27 0.00 0.00 179.45 179.23 2hc5 n LYS 109 N -5.01 1.96 0.18 1.90 5.02 -0.33 -3.56 118.16 118.33 2hc5 n LYS 109 Ca 0.26 -1.21 0.13 0.00 -2.02 0.00 0.00 58.31 55.47 2hc5 n LYS 109 Cb 0.75 -1.61 0.31 0.00 -0.02 0.00 0.00 35.03 34.46 2hc5 n LYS 109 CO 0.00 0.00 0.00 1.37 -0.52 0.00 0.00 177.40 178.25 2hc5 h LEU 110 N 1.26 0.00 0.00 -0.35 -0.00 -0.82 -3.44 115.31 111.96 2hc5 h LEU 110 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.02 2hc5 h LEU 110 Cb 1.45 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.11 2hc5 h LEU 110 CO 0.33 0.00 0.00 1.21 -0.00 0.00 0.00 178.44 179.98 2hc5 n GLU 111 N -2.76 0.00 -2.29 0.17 0.00 -1.23 -4.87 120.64 109.66 2hc5 n GLU 111 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.91 2hc5 n GLU 111 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.90 2hc5 n GLU 111 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2hc5 s HIS 112 N 0.00 3.58 -1.53 4.31 3.76 -1.26 -4.94 115.29 119.21 2hc5 s HIS 112 Ca 0.00 1.07 -0.11 0.00 -0.15 0.00 0.00 55.06 55.86 2hc5 s HIS 112 Cb 0.00 -2.52 -0.02 0.00 1.11 0.00 0.00 32.58 31.16 2hc5 s HIS 112 CO 0.00 -0.46 2.60 1.58 -0.85 0.00 0.00 174.74 177.61 2hc5 n HIS 113 N -2.40 2.89 -0.02 1.40 -0.00 -1.26 -4.57 115.22 111.26 2hc5 n HIS 113 Ca 0.03 -3.02 -0.01 0.00 0.46 0.00 0.00 57.72 55.18 2hc5 n HIS 113 Cb 0.54 -2.46 -0.00 0.00 -0.12 0.00 0.00 29.99 27.95 2hc5 n HIS 113 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2hc5 h HIS 114 N 5.41 0.00 -0.83 1.57 6.17 -1.92 -3.50 115.15 122.05 2hc5 h HIS 114 Ca 0.73 0.00 0.21 0.00 0.71 0.00 0.00 60.37 62.02 2hc5 h HIS 114 Cb 0.44 0.00 -0.31 0.00 2.52 0.00 0.00 27.41 30.06 2hc5 h HIS 114 CO 1.68 0.00 0.65 -1.58 0.71 0.00 0.00 177.93 179.38 2hc5 s HIS 115 N -1.32 -0.13 -0.80 5.26 2.46 -1.26 -5.11 115.29 114.40 2hc5 s HIS 115 Ca -0.03 0.24 -0.19 0.00 0.47 0.00 0.00 55.06 55.55 2hc5 s HIS 115 Cb 0.00 0.08 0.13 0.00 -0.13 0.00 0.00 32.58 32.66 2hc5 s HIS 115 CO 0.05 -0.06 0.97 -1.01 -2.47 0.00 0.00 174.74 172.21 2hc5 s HIS 116 N 1.39 3.10 0.00 3.88 0.09 -1.26 -5.01 115.29 117.48 2hc5 s HIS 116 Ca -0.06 -1.24 0.00 0.00 -0.00 0.00 0.00 55.06 53.77 2hc5 s HIS 116 Cb -0.02 -4.17 0.00 0.00 -0.00 0.00 0.00 32.58 28.39 2hc5 s HIS 116 CO -0.12 -1.41 0.38 1.58 -0.00 0.00 0.00 174.74 175.16