#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 4.94 -0.02 -1.43 6.03 -1.26 -4.95 114.94 118.26 2hc5 s ASN 2 Ca 0.00 0.04 0.21 0.00 -1.03 0.00 0.00 52.86 52.08 2hc5 s ASN 2 Cb 0.00 -1.39 -0.29 0.00 -3.03 0.00 0.00 41.25 36.54 2hc5 s ASN 2 CO 0.00 0.34 0.62 0.00 -2.03 0.00 0.00 177.10 176.03 2hc5 n ILE 3 N 2.37 0.00 0.38 0.54 3.06 -1.26 -4.28 119.36 120.17 2hc5 n ILE 3 Ca -0.18 -0.31 0.10 0.00 -2.50 0.00 0.00 62.75 59.86 2hc5 n ILE 3 Cb 0.53 0.38 0.45 0.00 0.54 0.00 0.00 39.64 41.54 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 -1.96 0.14 -0.41 9.51 1.02 -1.26 -1.82 120.64 125.87 2hc5 n GLU 4 Ca -0.01 0.41 0.03 0.00 -0.02 0.00 0.00 57.16 57.58 2hc5 n GLU 4 Cb 0.47 -1.79 0.05 0.00 -0.02 0.00 0.00 31.44 30.14 2hc5 n GLU 4 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2hc5 n ARG 5 N -2.06 0.43 -2.56 3.49 1.85 -1.26 -4.43 116.66 112.12 2hc5 n ARG 5 Ca 0.02 -1.58 -0.43 0.00 -1.00 0.00 0.00 57.85 54.86 2hc5 n ARG 5 Cb 0.19 -0.81 -0.02 0.00 -1.05 0.00 0.00 32.46 30.77 2hc5 n ARG 5 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2hc5 s LEU 6 N -0.96 4.08 -0.06 2.89 2.96 -0.76 -4.79 118.68 122.05 2hc5 s LEU 6 Ca 0.12 1.42 0.09 0.00 -0.22 0.00 0.00 54.13 55.54 2hc5 s LEU 6 Cb 0.11 -3.54 0.14 0.00 0.50 0.00 0.00 46.19 43.40 2hc5 s LEU 6 CO 0.00 -0.76 1.06 1.07 -1.32 0.00 0.00 176.35 176.39 2hc5 n THR 7 N 5.49 0.94 -4.68 3.68 5.66 -1.26 -1.06 114.28 123.05 2hc5 n THR 7 Ca 0.13 -1.12 -0.23 0.00 -3.05 0.00 0.00 64.05 59.77 2hc5 n THR 7 Cb 0.46 0.16 -0.15 0.00 -1.55 0.00 0.00 70.33 69.24 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 -1.42 1.18 -0.12 1.09 -1.32 -1.26 -4.75 115.64 109.04 2hc5 s THR 8 Ca 0.15 -0.61 0.15 0.00 -1.21 0.00 0.00 61.69 60.17 2hc5 s THR 8 Cb 0.13 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.41 2hc5 s THR 8 CO 0.01 0.34 1.14 0.18 -2.21 0.00 0.00 174.62 174.09 2hc5 n LEU 9 N 2.95 2.01 -0.05 9.08 4.77 -1.26 -4.88 117.00 129.61 2hc5 n LEU 9 Ca -0.16 -2.90 -0.08 0.00 -0.03 0.00 0.00 56.01 52.84 2hc5 n LEU 9 Cb 0.54 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 2hc5 n LEU 9 CO 0.25 0.79 0.84 -0.61 -1.33 0.00 0.00 177.39 177.32 2hc5 h GLN 10 N 0.28 0.03 0.00 3.23 5.75 -2.00 -1.04 115.11 121.36 2hc5 h GLN 10 Ca -0.01 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 2hc5 h GLN 10 Cb 1.11 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.65 2hc5 h GLN 10 CO 0.01 0.02 -0.04 -1.35 -2.65 0.00 0.00 178.83 174.81 2hc5 h PRO 11 N 0.03 0.00 -0.22 -2.39 0.11 -2.00 -2.15 132.00 125.39 2hc5 h PRO 11 Ca 0.11 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.12 2hc5 h PRO 11 Cb 0.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.27 2hc5 h PRO 11 CO -0.21 0.04 -0.25 0.28 -0.21 0.00 0.00 178.00 177.65 2hc5 h VAL 12 N 0.00 1.32 -0.70 3.15 2.07 -1.61 -1.99 116.25 118.49 2hc5 h VAL 12 Ca -0.00 -1.43 -0.05 0.00 0.82 0.00 0.00 66.70 66.03 2hc5 h VAL 12 Cb 0.08 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 2hc5 h VAL 12 CO 0.01 0.44 0.23 -0.50 0.02 0.00 0.00 177.57 177.77 2hc5 h TRP 13 N 0.25 1.10 -0.09 1.57 -0.00 -0.89 0.11 115.95 117.99 2hc5 h TRP 13 Ca 0.03 -0.10 -0.00 0.00 -0.00 0.00 0.00 58.89 58.82 2hc5 h TRP 13 Cb 0.82 -0.32 -0.00 0.00 -0.00 0.00 0.00 29.16 29.65 2hc5 h TRP 13 CO 0.08 0.86 0.04 0.22 -0.00 0.00 0.00 178.44 179.64 2hc5 h ASP 14 N 1.04 0.12 -0.39 -3.49 1.82 -1.34 -1.51 116.42 112.67 2hc5 h ASP 14 Ca 0.23 -0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 56.71 2hc5 h ASP 14 Cb 0.27 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.23 2hc5 h ASP 14 CO -0.01 0.24 0.22 -0.09 -1.61 0.00 0.00 179.24 177.99 2hc5 h ARG 15 N -0.01 0.54 -0.13 0.28 2.43 -1.14 -1.07 114.38 115.28 2hc5 h ARG 15 Ca 0.03 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 2hc5 h ARG 15 Cb 0.16 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 2hc5 h ARG 15 CO -0.00 0.43 -0.16 -0.92 -1.51 0.00 0.00 179.97 177.81 2hc5 h TYR 16 N 0.51 -0.40 -0.67 2.20 3.20 -0.64 -0.64 116.97 120.53 2hc5 h TYR 16 Ca 0.14 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2hc5 h TYR 16 Cb 0.04 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2hc5 h TYR 16 CO -0.03 -0.23 0.34 0.22 -1.64 0.00 0.00 178.16 176.82 2hc5 h ASP 17 N -0.19 0.86 0.66 -2.11 3.58 -1.15 0.11 116.42 118.18 2hc5 h ASP 17 Ca 0.10 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2hc5 h ASP 17 Cb 0.33 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.16 2hc5 h ASP 17 CO -0.25 0.73 0.00 0.35 -2.88 0.00 0.00 179.24 177.20 2hc5 n THR 18 N -4.48 0.65 -0.09 2.25 -2.24 -0.42 -2.19 114.28 107.75 2hc5 n THR 18 Ca 0.05 0.16 -0.12 0.00 -2.27 0.00 0.00 64.05 61.87 2hc5 n THR 18 Cb 0.11 -0.83 -0.11 0.00 -2.10 0.00 0.00 70.33 67.41 2hc5 n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hc5 n GLN 19 N -1.49 0.83 0.25 -0.78 6.02 -0.31 -4.30 117.38 117.61 2hc5 n GLN 19 Ca 0.05 0.07 0.16 0.00 -0.01 0.00 0.00 57.00 57.28 2hc5 n GLN 19 Cb 0.23 -1.41 0.88 0.00 1.02 0.00 0.00 30.24 30.96 2hc5 n GLN 19 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2hc5 h ILE 20 N 0.00 0.46 -0.62 5.09 1.08 -0.55 0.19 117.51 123.17 2hc5 h ILE 20 Ca -0.45 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 2hc5 h ILE 20 Cb 1.80 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 36.46 2hc5 h ILE 20 CO -0.04 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.42 2hc5 n HIS 21 N -3.77 1.81 -3.50 1.37 1.44 -0.93 -4.75 115.22 106.89 2hc5 n HIS 21 Ca -0.01 -0.67 -0.23 0.00 -2.01 0.00 0.00 57.72 54.80 2hc5 n HIS 21 Cb 0.21 -0.38 -0.13 0.00 0.12 0.00 0.00 29.99 29.80 2hc5 n HIS 21 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 2hc5 s ASN 22 N -0.83 2.48 -0.19 4.39 2.47 0.67 -5.07 114.94 118.86 2hc5 s ASN 22 Ca 0.53 -0.87 -0.19 0.00 0.42 0.00 0.00 52.86 52.75 2hc5 s ASN 22 Cb 0.38 0.04 -0.03 0.00 -1.45 0.00 0.00 41.25 40.19 2hc5 s ASN 22 CO 0.20 -0.40 0.57 -1.10 -3.72 0.00 0.00 177.10 172.65 2hc5 s GLN 23 N 2.22 4.22 0.00 0.43 1.11 -1.26 -4.34 119.66 122.04 2hc5 s GLN 23 Ca 0.08 0.51 0.00 0.00 0.01 0.00 0.00 55.36 55.96 2hc5 s GLN 23 Cb -0.15 -3.56 0.00 0.00 -1.01 0.00 0.00 33.01 28.29 2hc5 s GLN 23 CO -0.28 -0.16 0.00 1.17 0.01 0.00 0.00 175.29 176.03 2hc5 n LYS 24 N 4.77 0.00 -3.11 2.91 4.81 -1.26 -4.91 118.16 121.37 2hc5 n LYS 24 Ca -0.03 0.00 -0.45 0.00 -0.87 0.00 0.00 58.31 56.96 2hc5 n LYS 24 Cb 0.50 -3.10 -0.01 0.00 0.02 0.00 0.00 35.03 32.44 2hc5 n LYS 24 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2hc5 s ASP 25 N -2.71 6.94 0.00 3.14 2.15 -1.26 -4.90 116.67 120.04 2hc5 s ASP 25 Ca 0.00 -2.81 0.00 0.00 0.43 0.00 0.00 52.55 50.17 2hc5 s ASP 25 Cb 0.00 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 2hc5 s ASP 25 CO 0.00 -0.69 0.00 -3.20 -0.17 0.00 0.00 175.17 171.11 2hc5 n ASN 26 N 4.88 0.00 -3.28 -0.34 5.15 -1.26 -5.04 115.26 115.37 2hc5 n ASN 26 Ca 0.26 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.84 2hc5 n ASN 26 Cb 0.45 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.72 2hc5 n ASN 26 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2hc5 n ASP 27 N 0.00 7.43 -3.81 1.20 2.03 -1.26 -4.90 116.55 117.24 2hc5 n ASP 27 Ca 0.00 -3.66 0.04 0.00 0.52 0.00 0.00 54.79 51.69 2hc5 n ASP 27 Cb 0.00 -1.16 0.01 0.00 -0.72 0.00 0.00 41.12 39.25 2hc5 n ASP 27 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2hc5 s ASN 28 N -0.96 -0.01 -0.67 1.67 2.47 -1.26 -5.08 114.94 111.10 2hc5 s ASN 28 Ca 0.47 -0.07 -0.05 0.00 0.42 0.00 0.00 52.86 53.62 2hc5 s ASN 28 Cb 0.30 0.06 0.01 0.00 -1.45 0.00 0.00 41.25 40.16 2hc5 s ASN 28 CO -0.24 -0.12 0.66 -0.62 -3.72 0.00 0.00 177.10 173.07 2hc5 n GLU 29 N -0.78 -1.62 -4.55 0.43 1.02 -1.26 -5.04 120.64 108.84 2hc5 n GLU 29 Ca -0.00 1.54 -0.26 0.00 -0.02 0.00 0.00 57.16 58.42 2hc5 n GLU 29 Cb 0.60 -5.13 -0.11 0.00 -0.02 0.00 0.00 31.44 26.78 2hc5 n GLU 29 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2hc5 s VAL 30 N -2.84 2.12 -0.32 2.62 -7.23 -1.26 -5.02 120.40 108.48 2hc5 s VAL 30 Ca 0.07 -2.15 -0.29 0.00 -1.81 0.00 0.00 61.98 57.81 2hc5 s VAL 30 Cb -0.02 -2.72 -0.07 0.00 0.56 0.00 0.00 36.38 34.13 2hc5 s VAL 30 CO 0.78 -0.16 2.27 -0.81 -0.31 0.00 0.00 175.10 176.88 2hc5 n PRO 31 N -0.82 1.57 -3.88 4.82 -0.04 -1.26 -4.92 135.00 130.47 2hc5 n PRO 31 Ca -0.05 0.36 -0.09 0.00 -0.04 0.00 0.00 63.50 63.68 2hc5 n PRO 31 Cb 0.64 -3.12 -0.08 0.00 -0.04 0.00 0.00 33.50 30.91 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 9.05 0.14 0.00 0.52 0.11 -1.26 -4.87 120.40 124.09 2hc5 s VAL 32 Ca 1.03 -1.18 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 2hc5 s VAL 32 Cb -0.41 -1.24 0.00 0.00 -1.53 0.00 0.00 36.38 33.20 2hc5 s VAL 32 CO 0.36 -0.65 0.00 1.41 -3.33 0.00 0.00 175.10 172.89 2hc5 n HIS 33 N 0.17 0.00 -0.90 1.54 8.25 -1.26 -4.78 115.22 118.23 2hc5 n HIS 33 Ca -0.16 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.38 2hc5 n HIS 33 Cb 0.61 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.68 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 0.00 -2.18 -3.86 -0.41 1.13 -1.26 -4.93 117.38 105.87 2hc5 n GLN 34 Ca 0.00 1.76 -0.30 0.00 -1.94 0.00 0.00 57.00 56.52 2hc5 n GLN 34 Cb 0.00 -2.40 -0.15 0.00 0.11 0.00 0.00 30.24 27.79 2hc5 n GLN 34 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2hc5 s VAL 35 N -4.12 1.31 -0.20 5.09 1.01 -1.26 -4.81 120.40 117.43 2hc5 s VAL 35 Ca 0.00 -1.33 0.14 0.00 0.00 0.00 0.00 61.98 60.79 2hc5 s VAL 35 Cb 0.00 -1.78 0.44 0.00 0.00 0.00 0.00 36.38 35.05 2hc5 s VAL 35 CO 0.00 -0.34 1.19 -1.54 0.00 0.00 0.00 175.10 174.41 2hc5 n SER 36 N 4.72 2.42 0.00 3.32 3.41 -1.26 -4.98 113.62 121.25 2hc5 n SER 36 Ca -0.07 -3.33 0.00 0.00 -0.26 0.00 0.00 58.87 55.21 2hc5 n SER 36 Cb 0.44 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2hc5 n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hc5 n TYR 37 N -0.67 0.00 -0.27 7.33 9.36 -1.26 -4.30 117.16 127.35 2hc5 n TYR 37 Ca 0.22 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.41 2hc5 n TYR 37 Cb 0.86 0.00 0.08 0.00 -0.63 0.00 0.00 39.34 39.65 2hc5 n TYR 37 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 2hc5 h THR 38 N 0.00 1.14 0.00 2.97 2.02 -1.98 -2.14 112.91 114.92 2hc5 h THR 38 Ca 0.00 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 66.79 2hc5 h THR 38 Cb 0.00 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 2hc5 h THR 38 CO 0.00 0.17 -0.31 -1.13 0.37 0.00 0.00 175.52 174.62 2hc5 h ASN 39 N 0.95 0.00 -0.49 4.18 -0.73 -1.88 -2.43 115.58 115.19 2hc5 h ASN 39 Ca 0.29 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.39 2hc5 h ASN 39 Cb -0.03 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.54 2hc5 h ASN 39 CO -0.09 0.31 0.04 0.25 -0.37 0.00 0.00 177.43 177.56 2hc5 h LEU 40 N 0.00 0.82 -2.11 0.34 5.85 -1.70 -1.98 115.31 116.53 2hc5 h LEU 40 Ca -0.00 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 2hc5 h LEU 40 Cb 0.59 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 2hc5 h LEU 40 CO 0.04 0.90 -0.07 0.00 -0.34 0.00 0.00 178.44 178.97 2hc5 h ALA 41 N 0.95 1.21 0.55 1.25 0.00 -1.29 0.84 119.26 122.77 2hc5 h ALA 41 Ca 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2hc5 h ALA 41 Cb 0.46 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.24 2hc5 h ALA 41 CO 0.02 0.08 -0.27 0.93 0.00 0.00 0.00 179.25 180.02 2hc5 h GLU 42 N 0.00 -0.71 -0.10 0.00 4.39 -1.11 0.18 114.58 117.23 2hc5 h GLU 42 Ca -0.00 0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.59 2hc5 h GLU 42 Cb 0.27 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2hc5 h GLU 42 CO 0.01 -0.41 -0.61 0.52 -1.16 0.00 0.00 179.01 177.36 2hc5 h MET 43 N -0.95 0.33 -0.58 2.33 2.86 -1.28 -2.33 114.93 115.30 2hc5 h MET 43 Ca -0.08 -0.23 -0.11 0.00 -2.06 0.00 0.00 59.70 57.23 2hc5 h MET 43 Cb 0.63 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 2hc5 h MET 43 CO 0.12 0.83 -0.05 0.28 1.06 0.00 0.00 176.91 179.16 2hc5 h VAL 44 N 0.24 1.27 -0.08 -2.22 2.07 -0.88 -1.31 116.25 115.34 2hc5 h VAL 44 Ca -0.01 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 2hc5 h VAL 44 Cb 1.12 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2hc5 h VAL 44 CO 0.10 0.43 0.04 1.23 0.02 0.00 0.00 177.57 179.39 2hc5 h GLY 45 N 0.96 0.12 1.33 2.17 0.00 -0.45 0.48 103.07 107.68 2hc5 h GLY 45 Ca 0.16 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.34 2hc5 h GLY 45 CO 0.04 0.06 -0.11 1.05 0.00 0.00 0.00 176.54 177.58 2hc5 h GLU 46 N 0.01 0.79 -0.65 4.80 4.11 -1.42 -2.85 114.58 119.36 2hc5 h GLU 46 Ca 0.03 -0.26 -0.09 0.00 0.07 0.00 0.00 59.36 59.10 2hc5 h GLU 46 Cb 0.11 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2hc5 h GLU 46 CO -0.00 0.87 0.06 1.98 0.07 0.00 0.00 179.01 181.98 2hc5 h MET 47 N 0.72 1.10 -0.98 1.06 4.05 -1.03 -2.39 114.93 117.46 2hc5 h MET 47 Ca 0.12 -0.32 0.07 0.00 -0.28 0.00 0.00 59.70 59.29 2hc5 h MET 47 Cb 0.59 -0.11 -0.07 0.00 -0.80 0.00 0.00 31.60 31.21 2hc5 h MET 47 CO 0.04 1.04 0.63 -0.91 0.23 0.00 0.00 176.91 177.94 2hc5 h ASN 48 N 1.02 0.99 1.00 1.39 2.35 -0.68 -1.66 115.58 119.99 2hc5 h ASN 48 Ca 0.19 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2hc5 h ASN 48 Cb 0.50 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.68 2hc5 h ASN 48 CO 0.02 0.62 -0.09 0.29 -1.65 0.00 0.00 177.43 176.62 2hc5 n LYS 49 N -4.51 0.05 0.19 0.81 5.02 -0.99 -2.58 118.16 116.15 2hc5 n LYS 49 Ca 0.16 0.04 0.08 0.00 -2.02 0.00 0.00 58.31 56.56 2hc5 n LYS 49 Cb 0.21 -1.56 0.21 0.00 -0.02 0.00 0.00 35.03 33.88 2hc5 n LYS 49 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2hc5 h LEU 50 N 0.00 0.00 -3.21 -0.35 3.38 -0.81 -3.25 115.31 111.07 2hc5 h LEU 50 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2hc5 h LEU 50 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2hc5 h LEU 50 CO 0.00 0.27 -0.01 0.18 0.09 0.00 0.00 178.44 178.97 2hc5 n LEU 51 N -3.23 3.55 -0.11 1.67 4.77 -1.07 -4.46 117.00 118.13 2hc5 n LEU 51 Ca 0.02 -3.10 -0.23 0.00 -0.03 0.00 0.00 56.01 52.67 2hc5 n LEU 51 Cb 0.58 -0.53 -0.10 0.00 -2.33 0.00 0.00 43.42 41.04 2hc5 n LEU 51 CO 0.36 0.73 -0.73 -0.62 -1.33 0.00 0.00 177.39 175.81 2hc5 n GLU 52 N -0.78 0.56 -0.00 3.23 1.02 -1.17 -4.06 120.64 119.44 2hc5 n GLU 52 Ca 0.21 0.50 0.11 0.00 -0.02 0.00 0.00 57.16 57.96 2hc5 n GLU 52 Cb 0.85 -1.68 0.67 0.00 -0.02 0.00 0.00 31.44 31.25 2hc5 n GLU 52 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2hc5 n PRO 53 N -4.40 1.04 -3.72 3.49 -0.02 -1.26 -4.82 135.00 125.31 2hc5 n PRO 53 Ca -0.36 -0.06 -0.24 0.00 -2.02 0.00 0.00 63.50 60.83 2hc5 n PRO 53 Cb 0.70 -1.36 -0.01 0.00 -0.02 0.00 0.00 33.50 32.81 2hc5 n PRO 53 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2hc5 s SER 54 N -1.72 4.80 0.23 2.55 1.04 -1.26 -4.00 113.70 115.34 2hc5 s SER 54 Ca 0.34 -1.03 0.23 0.00 0.48 0.00 0.00 55.95 55.98 2hc5 s SER 54 Cb 0.16 0.00 0.24 0.00 0.10 0.00 0.00 66.02 66.52 2hc5 s SER 54 CO 0.27 -0.93 1.30 1.56 0.98 0.00 0.00 173.24 176.42 2hc5 h GLN 55 N 0.84 0.00 -5.40 4.02 1.08 -1.28 -3.40 115.11 110.97 2hc5 h GLN 55 Ca -0.38 0.00 -0.65 0.00 -1.45 0.00 0.00 58.65 56.17 2hc5 h GLN 55 Cb 1.29 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.65 2hc5 h GLN 55 CO 0.57 0.00 2.30 0.28 -0.95 0.00 0.00 178.83 181.02 2hc5 n VAL 56 N -2.57 3.59 -2.61 -0.54 0.31 -1.07 -4.88 118.33 110.56 2hc5 n VAL 56 Ca 0.02 -3.61 -0.42 0.00 -0.01 0.00 0.00 64.34 60.32 2hc5 n VAL 56 Cb 0.50 -2.39 -0.01 0.00 -0.91 0.00 0.00 33.84 31.04 2hc5 n VAL 56 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2hc5 s HIS 57 N 4.68 2.75 -0.26 3.52 3.76 -1.26 -4.68 115.29 123.80 2hc5 s HIS 57 Ca 0.54 -1.36 -0.15 0.00 -0.15 0.00 0.00 55.06 53.95 2hc5 s HIS 57 Cb 0.06 -4.69 -0.04 0.00 1.11 0.00 0.00 32.58 29.02 2hc5 s HIS 57 CO 0.05 -1.82 0.36 -0.51 -0.85 0.00 0.00 174.74 171.98 2hc5 s LEU 58 N 4.27 4.05 -0.45 0.89 1.43 -1.26 -1.14 118.68 126.48 2hc5 s LEU 58 Ca 0.49 0.30 -0.18 0.00 -1.03 0.00 0.00 54.13 53.71 2hc5 s LEU 58 Cb 0.02 -2.42 0.03 0.00 0.03 0.00 0.00 46.19 43.85 2hc5 s LEU 58 CO -0.00 -0.16 0.53 -0.54 0.23 0.00 0.00 176.35 176.41 2hc5 s LYS 59 N 1.94 3.13 -0.10 1.70 1.02 0.18 -4.89 119.74 122.73 2hc5 s LYS 59 Ca 0.15 -0.74 -0.21 0.00 0.02 0.00 0.00 55.97 55.19 2hc5 s LYS 59 Cb -0.16 -4.00 -0.04 0.00 -0.52 0.00 0.00 37.83 33.11 2hc5 s LYS 59 CO 0.10 -0.99 0.60 -0.06 -0.92 0.00 0.00 175.35 174.08 2hc5 s PHE 60 N 2.38 3.53 -0.07 3.18 0.40 -1.26 -0.42 117.98 125.72 2hc5 s PHE 60 Ca 0.15 1.07 0.04 0.00 -0.60 0.00 0.00 56.93 57.60 2hc5 s PHE 60 Cb -0.17 -2.70 -0.01 0.00 0.51 0.00 0.00 43.02 40.64 2hc5 s PHE 60 CO 0.14 0.10 -0.21 -1.21 0.70 0.00 0.00 175.22 174.74 2hc5 s GLU 61 N 0.83 2.72 -0.27 0.44 0.41 0.10 -4.92 118.70 118.01 2hc5 s GLU 61 Ca 0.32 -0.83 -0.14 0.00 -0.41 0.00 0.00 54.97 53.92 2hc5 s GLU 61 Cb -0.16 -2.29 -0.04 0.00 -1.78 0.00 0.00 34.13 29.85 2hc5 s GLU 61 CO 0.14 0.38 0.31 -1.17 -0.49 0.00 0.00 175.26 174.43 2hc5 s LEU 62 N -0.15 4.04 -0.04 1.80 2.96 -1.26 0.06 118.68 126.09 2hc5 s LEU 62 Ca -0.03 0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 54.08 2hc5 s LEU 62 Cb -0.14 -2.32 0.03 0.00 0.50 0.00 0.00 46.19 44.26 2hc5 s LEU 62 CO 0.04 -0.12 0.01 -1.00 -1.32 0.00 0.00 176.35 173.95 2hc5 s HIS 63 N 1.88 0.38 0.05 5.38 3.76 -0.82 -5.01 115.29 120.90 2hc5 s HIS 63 Ca 0.12 -0.00 -0.01 0.00 -0.15 0.00 0.00 55.06 55.02 2hc5 s HIS 63 Cb -0.16 -0.55 -0.04 0.00 1.11 0.00 0.00 32.58 32.95 2hc5 s HIS 63 CO 0.10 -0.20 0.21 0.16 -0.85 0.00 0.00 174.74 174.16 2hc5 s ASP 64 N 1.52 6.37 0.00 1.40 -4.77 -1.26 -2.03 116.67 117.90 2hc5 s ASP 64 Ca -0.03 0.30 0.00 0.00 -3.30 0.00 0.00 52.55 49.52 2hc5 s ASP 64 Cb -0.13 -1.98 0.00 0.00 -1.09 0.00 0.00 42.92 39.73 2hc5 s ASP 64 CO -0.03 0.19 0.00 2.29 0.70 0.00 0.00 175.17 178.32 2hc5 n LYS 65 N 0.45 2.95 -0.11 2.11 2.85 0.81 -4.97 118.16 122.24 2hc5 n LYS 65 Ca -0.06 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.12 2hc5 n LYS 65 Cb 0.51 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.88 2hc5 n LYS 65 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2hc5 h LEU 66 N 0.00 -1.01 0.00 -5.58 6.46 -2.05 -3.40 115.31 109.73 2hc5 h LEU 66 Ca 0.00 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 2hc5 h LEU 66 Cb 0.00 0.48 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 2hc5 h LEU 66 CO 0.00 -0.31 0.00 -3.20 -0.62 0.00 0.00 178.44 174.31 2hc5 n ASN 67 N -5.41 0.00 -4.88 1.25 2.85 -1.26 -5.11 115.26 102.70 2hc5 n ASN 67 Ca 0.01 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.17 2hc5 n ASN 67 Cb 0.33 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.31 2hc5 n ASN 67 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2hc5 s GLU 68 N -1.00 3.80 -0.09 1.20 2.02 -1.26 -5.08 118.70 118.29 2hc5 s GLU 68 Ca 0.00 0.38 0.02 0.00 0.02 0.00 0.00 54.97 55.38 2hc5 s GLU 68 Cb 0.00 -2.50 0.02 0.00 0.10 0.00 0.00 34.13 31.74 2hc5 s GLU 68 CO 0.00 0.13 -0.13 1.52 0.02 0.00 0.00 175.26 176.80 2hc5 s TYR 69 N -2.12 1.65 0.34 1.61 1.13 -1.26 -0.13 117.35 118.56 2hc5 s TYR 69 Ca 0.50 -0.71 0.04 0.00 -1.41 0.00 0.00 57.07 55.49 2hc5 s TYR 69 Cb -0.11 -1.23 -0.07 0.00 -1.10 0.00 0.00 41.96 39.46 2hc5 s TYR 69 CO 0.26 -0.39 0.05 1.52 -2.51 0.00 0.00 175.55 174.48 2hc5 s TYR 70 N 0.96 2.06 -0.18 -3.49 1.13 -0.86 -3.97 117.35 113.00 2hc5 s TYR 70 Ca -0.08 -0.90 -0.04 0.00 -1.41 0.00 0.00 57.07 54.63 2hc5 s TYR 70 Cb -0.15 -1.36 -0.02 0.00 -1.10 0.00 0.00 41.96 39.32 2hc5 s TYR 70 CO -0.00 0.09 -0.03 0.08 -2.51 0.00 0.00 175.55 173.18 2hc5 s VAL 71 N -3.19 3.80 -0.08 -3.49 1.01 -0.29 -1.95 120.40 116.21 2hc5 s VAL 71 Ca 0.36 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.84 2hc5 s VAL 71 Cb 0.09 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 2hc5 s VAL 71 CO 0.16 0.46 0.32 -0.54 0.00 0.00 0.00 175.10 175.50 2hc5 s LYS 72 N 0.78 3.93 -0.35 2.72 1.02 0.11 -0.44 119.74 127.52 2hc5 s LYS 72 Ca -0.01 0.20 -0.12 0.00 0.02 0.00 0.00 55.97 56.06 2hc5 s LYS 72 Cb -0.14 -3.28 -0.00 0.00 -0.52 0.00 0.00 37.83 33.88 2hc5 s LYS 72 CO 0.02 0.55 0.22 0.08 -0.92 0.00 0.00 175.35 175.30 2hc5 s VAL 73 N -0.53 4.98 -0.30 3.17 1.01 0.16 -0.72 120.40 128.17 2hc5 s VAL 73 Ca 0.20 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.66 2hc5 s VAL 73 Cb -0.14 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.63 2hc5 s VAL 73 CO 0.08 -0.08 0.05 -0.63 0.00 0.00 0.00 175.10 174.52 2hc5 s ILE 74 N 1.66 3.62 -0.18 2.22 1.01 0.43 -0.97 121.20 129.00 2hc5 s ILE 74 Ca 0.05 -0.91 -0.29 0.00 0.00 0.00 0.00 60.65 59.49 2hc5 s ILE 74 Cb -0.18 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 2hc5 s ILE 74 CO 0.09 0.03 1.53 -0.70 0.00 0.00 0.00 174.94 175.89 2hc5 s GLU 75 N 1.42 3.97 0.22 2.79 -6.30 -0.67 0.47 118.70 120.61 2hc5 s GLU 75 Ca 0.00 1.74 -0.08 0.00 -2.50 0.00 0.00 54.97 54.14 2hc5 s GLU 75 Cb -0.18 -3.96 0.28 0.00 0.00 0.00 0.00 34.13 30.27 2hc5 s GLU 75 CO 0.01 -1.07 1.83 0.22 0.02 0.00 0.00 175.26 176.27 2hc5 h ASP 76 N 9.87 0.68 0.55 -1.70 3.58 -1.46 0.72 116.42 128.66 2hc5 h ASP 76 Ca -0.33 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.10 2hc5 h ASP 76 Cb 1.14 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 2hc5 h ASP 76 CO 0.99 0.44 -0.21 -1.28 -2.88 0.00 0.00 179.24 176.29 2hc5 h SER 77 N 0.81 0.00 0.00 2.28 0.87 -1.91 -2.87 113.55 112.74 2hc5 h SER 77 Ca 0.33 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.63 2hc5 h SER 77 Cb 0.17 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.08 2hc5 h SER 77 CO -0.17 0.21 -2.09 0.35 -0.53 0.00 0.00 176.83 174.60 2hc5 n THR 78 N -3.65 0.98 -1.44 2.23 -2.24 -0.89 -5.00 114.28 104.27 2hc5 n THR 78 Ca -0.01 -0.66 -0.12 0.00 -2.27 0.00 0.00 64.05 60.99 2hc5 n THR 78 Cb 0.34 -0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 68.05 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 -2.55 -4.35 -4.72 3.42 5.03 0.25 -5.01 115.26 107.33 2hc5 n ASN 79 Ca -0.24 0.26 -0.24 0.00 0.87 0.00 0.00 54.58 55.23 2hc5 n ASN 79 Cb 0.96 -2.97 -0.06 0.00 -1.02 0.00 0.00 39.78 36.69 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 -3.18 2.58 -0.42 3.52 -1.05 -1.23 -4.91 118.70 114.00 2hc5 s GLU 80 Ca 0.00 -1.17 -0.24 0.00 -0.15 0.00 0.00 54.97 53.41 2hc5 s GLU 80 Cb 0.00 -2.39 0.02 0.00 -0.44 0.00 0.00 34.13 31.32 2hc5 s GLU 80 CO 0.00 0.41 0.86 0.08 0.95 0.00 0.00 175.26 177.56 2hc5 s VAL 81 N -2.04 4.59 -0.99 1.83 1.01 -1.26 -1.67 120.40 121.86 2hc5 s VAL 81 Ca 0.31 0.78 0.22 0.00 0.00 0.00 0.00 61.98 63.28 2hc5 s VAL 81 Cb -0.08 -4.34 -0.19 0.00 0.00 0.00 0.00 36.38 31.77 2hc5 s VAL 81 CO 0.21 -0.67 0.98 2.30 0.00 0.00 0.00 175.10 177.93 2hc5 n ILE 82 N 6.14 0.00 -3.55 2.22 -5.35 -0.14 -4.96 119.36 113.72 2hc5 n ILE 82 Ca 0.05 -0.01 -0.15 0.00 -0.27 0.00 0.00 62.75 62.37 2hc5 n ILE 82 Cb 0.48 0.86 -0.06 0.00 -1.74 0.00 0.00 39.64 39.18 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 -3.01 0.89 -0.13 6.28 6.06 -1.18 -5.02 118.95 122.84 2hc5 s ARG 83 Ca 0.08 0.33 -0.01 0.00 -2.50 0.00 0.00 55.73 53.63 2hc5 s ARG 83 Cb 0.16 0.42 0.04 0.00 0.06 0.00 0.00 34.95 35.63 2hc5 s ARG 83 CO 0.84 -0.25 -0.02 -1.21 -2.50 0.00 0.00 175.30 172.16 2hc5 s GLU 84 N -0.92 0.99 -0.26 5.12 2.02 -1.26 0.36 118.70 124.75 2hc5 s GLU 84 Ca -0.07 -0.23 -0.09 0.00 0.02 0.00 0.00 54.97 54.60 2hc5 s GLU 84 Cb -0.01 -1.59 -0.04 0.00 0.10 0.00 0.00 34.13 32.59 2hc5 s GLU 84 CO 0.06 -0.40 0.13 0.42 0.02 0.00 0.00 175.26 175.49 2hc5 s ILE 85 N 1.81 4.91 0.57 -1.63 1.09 0.42 -4.98 121.20 123.39 2hc5 s ILE 85 Ca 0.03 0.03 -0.17 0.00 -1.10 0.00 0.00 60.65 59.44 2hc5 s ILE 85 Cb -0.14 -3.31 -0.05 0.00 -1.06 0.00 0.00 42.46 37.90 2hc5 s ILE 85 CO -0.07 0.31 1.06 -2.16 -0.10 0.00 0.00 174.94 173.98 2hc5 s PRO 86 N 1.53 3.41 0.45 2.79 0.04 -1.26 -1.14 135.00 140.82 2hc5 s PRO 86 Ca 0.06 1.27 0.12 0.00 0.04 0.00 0.00 61.00 62.50 2hc5 s PRO 86 Cb -0.15 -2.04 1.04 0.00 0.04 0.00 0.00 34.50 33.38 2hc5 s PRO 86 CO 0.07 -0.74 2.07 -1.00 0.04 0.00 0.00 177.00 177.43 2hc5 h PRO 87 N 0.73 0.33 0.00 0.56 0.13 -1.95 -0.90 132.00 130.90 2hc5 h PRO 87 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2hc5 h PRO 87 Cb 1.22 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2hc5 h PRO 87 CO 0.58 0.22 0.00 0.36 -0.23 0.00 0.00 178.00 178.92 2hc5 n LYS 88 N -4.49 0.14 -0.57 0.86 0.00 -1.26 -2.90 118.16 109.94 2hc5 n LYS 88 Ca 0.03 0.33 0.04 0.00 -0.00 0.00 0.00 58.31 58.70 2hc5 n LYS 88 Cb 0.15 -1.74 0.06 0.00 -0.00 0.00 0.00 35.03 33.51 2hc5 n LYS 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2hc5 n ARG 89 N -1.99 0.52 -0.04 -1.58 1.74 -0.41 -4.78 116.66 110.12 2hc5 n ARG 89 Ca 0.03 -1.86 -0.12 0.00 -0.77 0.00 0.00 57.85 55.14 2hc5 n ARG 89 Cb 0.24 -0.81 0.02 0.00 -1.02 0.00 0.00 32.46 30.89 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 0.28 0.89 -0.39 -1.55 2.91 -1.25 -3.17 115.95 113.69 2hc5 h TRP 90 Ca -0.04 -0.30 -0.06 0.00 1.13 0.00 0.00 58.89 59.61 2hc5 h TRP 90 Cb 1.33 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 29.79 2hc5 h TRP 90 CO 0.16 1.08 -0.03 -0.07 -1.03 0.00 0.00 178.44 178.55 2hc5 h LEU 91 N 0.56 0.60 -0.16 0.65 4.07 -1.86 0.21 115.31 119.37 2hc5 h LEU 91 Ca 0.02 -0.13 0.03 0.00 0.08 0.00 0.00 57.88 57.88 2hc5 h LEU 91 Cb 1.08 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.63 2hc5 h LEU 91 CO 0.11 0.68 -0.06 0.44 -1.08 0.00 0.00 178.44 178.54 2hc5 h ASP 92 N 0.59 -0.20 -0.25 -0.43 5.19 -1.90 0.09 116.42 119.51 2hc5 h ASP 92 Ca 0.12 0.06 -0.06 0.00 -0.62 0.00 0.00 57.03 56.53 2hc5 h ASP 92 Cb 0.41 0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.04 2hc5 h ASP 92 CO 0.02 -0.08 -0.07 0.15 -3.12 0.00 0.00 179.24 176.15 2hc5 h PHE 93 N -0.03 0.55 -0.28 4.55 3.57 -1.33 -2.79 116.94 121.18 2hc5 h PHE 93 Ca 0.08 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 2hc5 h PHE 93 Cb 0.15 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2hc5 h PHE 93 CO -0.20 0.71 0.16 -0.92 -2.23 0.00 0.00 178.31 175.83 2hc5 h TYR 94 N 0.23 0.38 -0.71 0.41 3.20 -0.47 -2.68 116.97 117.34 2hc5 h TYR 94 Ca 0.06 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 2hc5 h TYR 94 Cb 0.54 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 2hc5 h TYR 94 CO 0.05 0.31 0.35 0.00 -1.64 0.00 0.00 178.16 177.23 2hc5 h ALA 95 N 1.04 0.91 -0.80 1.82 0.00 -0.98 0.97 119.26 122.23 2hc5 h ALA 95 Ca 0.10 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2hc5 h ALA 95 Cb 0.04 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 2hc5 h ALA 95 CO -0.02 0.46 0.53 0.00 0.00 0.00 0.00 179.25 180.23 2hc5 h ALA 96 N 1.17 1.45 0.14 0.00 0.00 -1.36 -2.35 119.26 118.31 2hc5 h ALA 96 Ca 0.24 -0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.81 2hc5 h ALA 96 Cb 0.10 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.58 2hc5 h ALA 96 CO -0.03 0.50 -1.37 0.52 0.00 0.00 0.00 179.25 178.87 2hc5 h MET 97 N 1.06 0.30 0.00 0.00 2.07 -1.06 -3.05 114.93 114.26 2hc5 h MET 97 Ca 0.30 -0.52 -0.09 0.00 -2.07 0.00 0.00 59.70 57.32 2hc5 h MET 97 Cb -0.09 0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 29.82 2hc5 h MET 97 CO -0.07 1.22 -0.41 0.00 1.07 0.00 0.00 176.91 178.73 2hc5 h THR 98 N 0.08 1.01 0.00 2.22 1.03 -0.61 0.48 112.91 117.12 2hc5 h THR 98 Ca -0.19 -1.55 -0.17 0.00 -0.01 0.00 0.00 66.41 64.49 2hc5 h THR 98 Cb 2.01 1.91 -0.02 0.00 -1.07 0.00 0.00 68.15 70.98 2hc5 h THR 98 CO 0.20 0.40 -0.80 -0.33 -0.01 0.00 0.00 175.52 174.98 2hc5 h GLU 99 N 0.00 0.00 0.00 0.00 5.08 -1.53 -1.71 114.58 116.42 2hc5 h GLU 99 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2hc5 h GLU 99 Cb 0.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 2hc5 h GLU 99 CO 0.05 0.80 -0.11 0.35 -1.00 0.00 0.00 179.01 179.10 2hc5 h PHE 100 N 0.00 0.00 0.00 4.33 3.57 -1.18 -3.30 116.94 120.36 2hc5 h PHE 100 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2hc5 h PHE 100 Cb 1.45 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.19 2hc5 h PHE 100 CO 0.00 0.24 -0.07 1.28 -2.23 0.00 0.00 178.31 177.53 2hc5 n LEU 101 N -4.72 0.52 0.17 0.59 4.32 0.16 -2.67 117.00 115.37 2hc5 n LEU 101 Ca -0.04 0.50 0.13 0.00 -0.02 0.00 0.00 56.01 56.58 2hc5 n LEU 101 Cb 0.15 -0.37 0.49 0.00 -1.62 0.00 0.00 43.42 42.07 2hc5 n LEU 101 CO 0.08 -0.10 0.89 1.23 -1.22 0.00 0.00 177.39 178.28 2hc5 h GLY 102 N 4.70 0.00 2.00 -0.72 0.00 -1.40 0.01 103.07 107.66 2hc5 h GLY 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hc5 h GLY 102 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 2hc5 h LEU 103 N 0.00 0.00 0.00 3.11 3.38 -1.58 -3.27 115.31 116.95 2hc5 h LEU 103 Ca 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 2hc5 h LEU 103 Cb 0.53 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 2hc5 h LEU 103 CO 0.00 0.00 -2.41 0.49 0.09 0.00 0.00 178.44 176.61 2hc5 n PHE 104 N -2.49 0.00 -3.33 1.13 3.01 -0.70 -4.83 117.46 110.25 2hc5 n PHE 104 Ca 0.04 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 58.04 2hc5 n PHE 104 Cb 0.38 -0.95 -0.05 0.00 -0.01 0.00 0.00 39.48 38.85 2hc5 n PHE 104 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2hc5 s VAL 105 N -2.50 5.14 -0.08 -4.37 1.01 -0.09 -4.81 120.40 114.70 2hc5 s VAL 105 Ca -0.33 -1.50 0.09 0.00 0.00 0.00 0.00 61.98 60.23 2hc5 s VAL 105 Cb 0.09 -4.29 0.14 0.00 0.00 0.00 0.00 36.38 32.32 2hc5 s VAL 105 CO 0.57 -0.85 1.08 -0.67 0.00 0.00 0.00 175.10 175.22 2hc5 n ASP 106 N 5.22 2.20 0.09 3.32 2.03 -1.26 -4.61 116.55 123.55 2hc5 n ASP 106 Ca -0.14 -2.48 -0.04 0.00 0.52 0.00 0.00 54.79 52.65 2hc5 n ASP 106 Cb 0.40 -0.20 -0.02 0.00 -0.72 0.00 0.00 41.12 40.59 2hc5 n ASP 106 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2hc5 h GLU 107 N 0.07 -0.23 -0.01 -0.67 4.81 -1.94 -2.35 114.58 114.27 2hc5 h GLU 107 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2hc5 h GLU 107 Cb 0.74 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.17 2hc5 h GLU 107 CO 0.00 -0.15 -0.03 1.63 -0.73 0.00 0.00 179.01 179.73 2hc5 n LYS 108 N -3.08 1.27 -0.30 1.92 5.02 -1.26 -2.48 118.16 119.25 2hc5 n LYS 108 Ca -0.03 -0.53 0.08 0.00 -2.02 0.00 0.00 58.31 55.81 2hc5 n LYS 108 Cb 0.09 -1.49 0.24 0.00 -0.02 0.00 0.00 35.03 33.86 2hc5 n LYS 108 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2hc5 n LYS 109 N -0.40 2.35 0.28 1.97 5.02 -1.24 -4.41 118.16 121.73 2hc5 n LYS 109 Ca 0.20 -1.96 0.17 0.00 -2.02 0.00 0.00 58.31 54.70 2hc5 n LYS 109 Cb 0.27 -1.46 0.78 0.00 -0.02 0.00 0.00 35.03 34.59 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 3.12 0.00 0.00 -0.35 -0.00 -1.09 -3.46 115.31 113.53 2hc5 h LEU 110 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2hc5 h LEU 110 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.44 2hc5 h LEU 110 CO 0.02 0.04 0.00 -0.62 -0.00 0.00 0.00 178.44 177.88 2hc5 n GLU 111 N -3.19 0.00 -2.57 0.17 1.02 -1.26 -4.80 120.64 110.01 2hc5 n GLU 111 Ca -0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.72 2hc5 n GLU 111 Cb 0.26 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.65 2hc5 n GLU 111 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2hc5 s HIS 112 N 0.00 2.55 -0.43 -0.32 3.76 -1.26 -4.72 115.29 114.87 2hc5 s HIS 112 Ca 0.00 -0.88 0.01 0.00 -0.15 0.00 0.00 55.06 54.04 2hc5 s HIS 112 Cb 0.00 -4.70 0.21 0.00 1.11 0.00 0.00 32.58 29.21 2hc5 s HIS 112 CO 0.00 -1.93 0.94 1.58 -0.85 0.00 0.00 174.74 174.48 2hc5 n HIS 113 N 8.83 -2.30 -2.92 1.40 -0.00 -1.26 -5.07 115.22 113.89 2hc5 n HIS 113 Ca 0.34 -1.08 -0.00 0.00 -0.00 0.00 0.00 57.72 56.97 2hc5 n HIS 113 Cb 0.51 1.31 -0.00 0.00 -0.00 0.00 0.00 29.99 31.81 2hc5 n HIS 113 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2hc5 n HIS 114 N 2.51 -2.23 -3.00 1.57 -0.00 -1.26 -4.91 115.22 107.89 2hc5 n HIS 114 Ca 0.13 1.02 -0.41 0.00 -0.00 0.00 0.00 57.72 58.46 2hc5 n HIS 114 Cb 0.62 -2.66 -0.05 0.00 -0.00 0.00 0.00 29.99 27.90 2hc5 n HIS 114 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2hc5 s HIS 115 N -1.27 3.43 -1.04 1.57 -0.00 -1.26 -4.97 115.29 111.75 2hc5 s HIS 115 Ca -0.01 1.14 -0.06 0.00 -0.00 0.00 0.00 55.06 56.13 2hc5 s HIS 115 Cb 0.00 -2.90 0.27 0.00 -0.00 0.00 0.00 32.58 29.95 2hc5 s HIS 115 CO 0.43 -0.15 1.10 1.58 -0.00 0.00 0.00 174.74 177.70 2hc5 n HIS 116 N 4.89 4.40 -1.01 0.38 -0.00 -1.26 -5.27 115.22 117.35 2hc5 n HIS 116 Ca 0.01 -3.72 0.00 0.00 -0.00 0.00 0.00 57.72 54.02 2hc5 n HIS 116 Cb 0.50 -1.45 0.00 0.00 -0.00 0.00 0.00 29.99 29.04 2hc5 n HIS 116 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92