#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 1.87 0.49 1.96 -0.87 -1.26 -4.96 114.94 112.16 2hc5 s ASN 2 Ca 0.00 -0.23 0.27 0.00 -1.57 0.00 0.00 52.86 51.33 2hc5 s ASN 2 Cb 0.00 -0.71 1.15 0.00 -0.02 0.00 0.00 41.25 41.68 2hc5 s ASN 2 CO 0.00 -0.11 1.92 -0.29 -2.57 0.00 0.00 177.10 176.05 2hc5 h ILE 3 N 6.18 0.43 0.00 0.60 6.09 -1.91 -2.76 117.51 126.14 2hc5 h ILE 3 Ca -0.28 -0.85 0.00 0.00 -1.37 0.00 0.00 64.86 62.35 2hc5 h ILE 3 Cb 1.14 1.61 0.00 0.00 0.47 0.00 0.00 36.82 40.04 2hc5 h ILE 3 CO 0.39 0.15 0.00 -0.62 -3.07 0.00 0.00 178.15 175.00 2hc5 n GLU 4 N -3.37 0.11 -0.04 2.19 1.02 -1.24 -2.27 120.64 117.04 2hc5 n GLU 4 Ca -0.00 0.40 0.02 0.00 -0.02 0.00 0.00 57.16 57.56 2hc5 n GLU 4 Cb 0.36 -1.74 0.03 0.00 -0.02 0.00 0.00 31.44 30.08 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 -1.95 2.12 0.00 3.49 1.74 -1.05 -3.16 116.66 117.85 2hc5 n ARG 5 Ca 0.02 -1.64 0.00 0.00 -0.77 0.00 0.00 57.85 55.46 2hc5 n ARG 5 Cb 0.17 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 2hc5 n ARG 5 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2hc5 n LEU 6 N -0.66 0.00 0.00 0.55 7.94 -0.96 -4.81 117.00 119.06 2hc5 n LEU 6 Ca 0.04 0.85 0.00 0.00 -1.11 0.00 0.00 56.01 55.79 2hc5 n LEU 6 Cb 0.39 -0.35 0.00 0.00 0.53 0.00 0.00 43.42 43.99 2hc5 n LEU 6 CO 0.00 -0.35 0.00 0.41 -1.11 0.00 0.00 177.39 176.34 2hc5 n THR 7 N -1.66 0.00 -3.80 1.96 -1.04 -1.26 -4.87 114.28 103.60 2hc5 n THR 7 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 2hc5 n THR 7 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 2hc5 n THR 7 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2hc5 s THR 8 N -1.78 0.05 -0.26 12.58 -1.32 -1.26 -4.65 115.64 119.00 2hc5 s THR 8 Ca 0.00 -0.41 0.11 0.00 -1.21 0.00 0.00 61.69 60.18 2hc5 s THR 8 Cb 0.00 -0.49 0.50 0.00 -1.51 0.00 0.00 72.50 71.00 2hc5 s THR 8 CO 0.00 -0.23 1.44 0.18 -2.21 0.00 0.00 174.62 173.80 2hc5 n LEU 9 N 1.79 3.97 -0.05 9.08 4.77 -1.26 -4.82 117.00 130.49 2hc5 n LEU 9 Ca -0.20 -3.55 -0.08 0.00 -0.03 0.00 0.00 56.01 52.15 2hc5 n LEU 9 Cb 0.56 -0.60 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 2hc5 n LEU 9 CO 0.20 1.09 0.74 -0.61 -1.33 0.00 0.00 177.39 177.48 2hc5 h GLN 10 N 1.15 -0.17 -0.02 3.23 5.75 -1.97 -0.24 115.11 122.84 2hc5 h GLN 10 Ca 0.16 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.67 2hc5 h GLN 10 Cb 1.57 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 30.16 2hc5 h GLN 10 CO 0.33 -0.11 0.02 -1.35 -2.65 0.00 0.00 178.83 175.06 2hc5 h PRO 11 N -0.17 0.00 -0.09 -2.39 0.11 -1.99 -0.13 132.00 127.33 2hc5 h PRO 11 Ca 0.14 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.14 2hc5 h PRO 11 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 2hc5 h PRO 11 CO -0.35 0.00 -0.34 0.28 -0.21 0.00 0.00 178.00 177.38 2hc5 h VAL 12 N 0.00 1.40 -0.45 3.15 2.07 -1.48 -2.37 116.25 118.56 2hc5 h VAL 12 Ca 0.01 -1.69 -0.04 0.00 0.82 0.00 0.00 66.70 65.80 2hc5 h VAL 12 Cb 0.04 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 2hc5 h VAL 12 CO -0.00 0.50 0.14 -0.50 0.02 0.00 0.00 177.57 177.73 2hc5 h TRP 13 N -0.05 0.73 -0.58 1.57 -0.00 -0.30 0.29 115.95 117.61 2hc5 h TRP 13 Ca -0.02 -0.08 0.05 0.00 -0.00 0.00 0.00 58.89 58.85 2hc5 h TRP 13 Cb 0.98 -0.21 -0.05 0.00 -0.00 0.00 0.00 29.16 29.88 2hc5 h TRP 13 CO 0.12 0.66 0.31 -0.44 -0.00 0.00 0.00 178.44 179.08 2hc5 h ASP 14 N 0.60 0.45 -0.40 -3.49 3.32 -1.10 -1.07 116.42 114.72 2hc5 h ASP 14 Ca 0.15 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 57.09 2hc5 h ASP 14 Cb 0.27 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2hc5 h ASP 14 CO -0.00 0.30 -0.29 -0.09 -1.72 0.00 0.00 179.24 177.44 2hc5 h ARG 15 N 0.58 0.89 0.26 3.56 2.43 -1.10 -2.69 114.38 118.31 2hc5 h ARG 15 Ca 0.26 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2hc5 h ARG 15 Cb 0.15 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2hc5 h ARG 15 CO -0.17 1.08 -0.24 -0.92 -1.51 0.00 0.00 179.97 178.21 2hc5 h TYR 16 N 0.71 -0.64 0.00 2.20 3.20 0.08 0.51 116.97 123.02 2hc5 h TYR 16 Ca 0.08 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 2hc5 h TYR 16 Cb 0.87 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 39.38 2hc5 h TYR 16 CO 0.06 -0.36 -0.07 -0.44 -1.64 0.00 0.00 178.16 175.72 2hc5 h ASP 17 N -0.52 0.00 0.17 -2.11 3.32 -1.26 0.12 116.42 116.14 2hc5 h ASP 17 Ca -0.01 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.79 2hc5 h ASP 17 Cb 0.48 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.05 2hc5 h ASP 17 CO -0.04 0.07 -1.14 0.74 -1.72 0.00 0.00 179.24 177.15 2hc5 h THR 18 N 0.00 1.34 -0.15 0.35 2.02 -1.08 -3.35 112.91 112.05 2hc5 h THR 18 Ca -0.00 -2.55 -0.02 0.00 0.77 0.00 0.00 66.41 64.61 2hc5 h THR 18 Cb 0.49 3.06 -0.01 0.00 -1.74 0.00 0.00 68.15 69.95 2hc5 h THR 18 CO 0.01 0.75 0.03 -0.61 0.37 0.00 0.00 175.52 176.06 2hc5 h GLN 19 N -0.21 0.24 -0.95 6.66 4.15 0.46 -2.80 115.11 122.65 2hc5 h GLN 19 Ca -0.21 -0.06 0.24 0.00 0.77 0.00 0.00 58.65 59.38 2hc5 h GLN 19 Cb 1.82 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 29.41 2hc5 h GLN 19 CO 0.17 0.42 0.64 0.82 -1.93 0.00 0.00 178.83 178.94 2hc5 h ILE 20 N 0.02 0.60 -0.01 2.39 2.04 -1.16 0.75 117.51 122.15 2hc5 h ILE 20 Ca 0.04 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2hc5 h ILE 20 Cb 0.29 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2hc5 h ILE 20 CO 0.00 0.06 -0.30 1.41 0.00 0.00 0.00 178.15 179.32 2hc5 n HIS 21 N -4.49 0.00 -0.04 1.37 8.25 -1.07 -4.23 115.22 115.01 2hc5 n HIS 21 Ca 0.21 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.65 2hc5 n HIS 21 Cb 0.81 -0.12 -0.01 0.00 1.12 0.00 0.00 29.99 31.80 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 -0.64 0.95 -2.73 0.41 2.85 0.22 -5.08 115.26 111.23 2hc5 n ASN 22 Ca 0.11 0.45 -0.02 0.00 -0.11 0.00 0.00 54.58 55.00 2hc5 n ASN 22 Cb 0.36 -0.69 -0.02 0.00 1.24 0.00 0.00 39.78 40.66 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 -3.49 -3.61 -4.81 1.20 6.02 -0.96 -5.05 117.38 106.67 2hc5 n GLN 23 Ca -0.04 2.84 -0.28 0.00 -0.01 0.00 0.00 57.00 59.51 2hc5 n GLN 23 Cb 0.14 -4.64 -0.14 0.00 1.02 0.00 0.00 30.24 26.61 2hc5 n GLN 23 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2hc5 s LYS 24 N -1.08 1.64 -0.06 -1.09 -2.85 -1.26 -5.03 119.74 110.02 2hc5 s LYS 24 Ca -0.12 -1.04 0.04 0.00 -1.00 0.00 0.00 55.97 53.84 2hc5 s LYS 24 Cb 0.01 -1.80 0.21 0.00 -2.06 0.00 0.00 37.83 34.19 2hc5 s LYS 24 CO 0.68 0.46 0.83 -0.40 0.10 0.00 0.00 175.35 177.03 2hc5 n ASP 25 N 1.82 2.15 -4.12 0.03 5.75 -1.26 -4.74 116.55 116.18 2hc5 n ASP 25 Ca -0.17 -2.22 -0.28 0.00 -0.01 0.00 0.00 54.79 52.10 2hc5 n ASP 25 Cb 0.52 -0.53 -0.17 0.00 -1.03 0.00 0.00 41.12 39.92 2hc5 n ASP 25 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2hc5 s ASN 26 N -0.24 2.44 0.54 -1.12 3.84 -1.26 -5.12 114.94 114.02 2hc5 s ASN 26 Ca 0.14 -0.43 -0.20 0.00 0.21 0.00 0.00 52.86 52.57 2hc5 s ASN 26 Cb 0.10 -1.12 -0.05 0.00 -0.55 0.00 0.00 41.25 39.63 2hc5 s ASN 26 CO 0.04 0.09 1.19 -0.62 -2.79 0.00 0.00 177.10 175.01 2hc5 s ASP 27 N 0.54 5.63 -0.05 -4.21 2.15 -1.26 -5.00 116.67 114.47 2hc5 s ASP 27 Ca -0.16 2.35 -0.01 0.00 0.43 0.00 0.00 52.55 55.16 2hc5 s ASP 27 Cb -0.17 -2.60 -0.00 0.00 -0.30 0.00 0.00 42.92 39.85 2hc5 s ASP 27 CO 0.06 -1.29 -0.02 0.78 -0.17 0.00 0.00 175.17 174.53 2hc5 h ASN 28 N 1.37 0.00 0.00 -0.34 2.35 -1.99 -3.47 115.58 113.50 2hc5 h ASN 28 Ca -0.50 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.22 2hc5 h ASN 28 Cb 1.27 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.61 2hc5 h ASN 28 CO 0.57 0.25 -0.07 -1.84 -1.65 0.00 0.00 177.43 174.69 2hc5 n GLU 29 N -3.26 0.00 -4.94 0.81 0.28 -1.26 -5.14 120.64 107.13 2hc5 n GLU 29 Ca -0.01 -0.26 -0.32 0.00 -0.16 0.00 0.00 57.16 56.41 2hc5 n GLU 29 Cb 0.03 0.32 -0.16 0.00 1.43 0.00 0.00 31.44 33.05 2hc5 n GLU 29 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2hc5 s VAL 30 N 0.00 2.34 -1.38 3.84 0.11 -1.26 -5.04 120.40 119.01 2hc5 s VAL 30 Ca 0.00 -0.91 -0.15 0.00 -2.93 0.00 0.00 61.98 57.99 2hc5 s VAL 30 Cb 0.00 -1.93 0.03 0.00 -1.53 0.00 0.00 36.38 32.95 2hc5 s VAL 30 CO 0.00 0.54 2.12 -0.81 -3.33 0.00 0.00 175.10 173.62 2hc5 n PRO 31 N 3.69 2.78 -3.64 1.54 -0.04 -1.26 -4.82 135.00 133.25 2hc5 n PRO 31 Ca -0.19 -2.65 -0.14 0.00 -0.04 0.00 0.00 63.50 60.48 2hc5 n PRO 31 Cb 0.53 -3.30 -0.13 0.00 -0.04 0.00 0.00 33.50 30.55 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 3.64 -0.42 0.00 0.52 0.11 -1.26 -5.13 120.40 117.85 2hc5 s VAL 32 Ca 0.49 0.24 0.00 0.00 -2.93 0.00 0.00 61.98 59.78 2hc5 s VAL 32 Cb 0.12 -0.48 0.00 0.00 -1.53 0.00 0.00 36.38 34.49 2hc5 s VAL 32 CO -0.04 0.08 0.00 0.00 -3.33 0.00 0.00 175.10 171.81 2hc5 n HIS 33 N 5.35 0.00 -3.71 1.54 1.44 -1.26 -5.01 115.22 113.57 2hc5 n HIS 33 Ca -0.06 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.42 2hc5 n HIS 33 Cb 0.50 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.65 2hc5 n HIS 33 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 2hc5 n GLN 34 N -0.08 -5.65 -1.97 -1.40 6.02 -1.26 -4.97 117.38 108.07 2hc5 n GLN 34 Ca 0.00 0.67 -0.24 0.00 -0.01 0.00 0.00 57.00 57.42 2hc5 n GLN 34 Cb 0.00 -5.43 0.15 0.00 1.02 0.00 0.00 30.24 25.98 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 -4.45 0.00 -4.00 5.09 0.24 -1.26 -5.12 118.33 108.83 2hc5 n VAL 35 Ca -0.17 -1.09 -0.12 0.00 -2.04 0.00 0.00 64.34 60.91 2hc5 n VAL 35 Cb 0.62 -1.31 -0.03 0.00 -1.47 0.00 0.00 33.84 31.66 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 -5.05 0.46 0.30 -1.34 0.15 -1.26 -5.01 113.70 101.94 2hc5 s SER 36 Ca 0.64 -1.27 0.05 0.00 0.70 0.00 0.00 55.95 56.07 2hc5 s SER 36 Cb -0.02 0.69 0.76 0.00 -1.71 0.00 0.00 66.02 65.74 2hc5 s SER 36 CO 0.44 -1.35 1.69 0.22 1.20 0.00 0.00 173.24 175.44 2hc5 h TYR 37 N 2.12 0.66 -0.49 3.44 3.20 -2.01 0.15 116.97 124.04 2hc5 h TYR 37 Ca -0.28 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.58 2hc5 h TYR 37 Cb 1.24 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.35 2hc5 h TYR 37 CO 1.19 -0.07 0.12 1.79 -1.64 0.00 0.00 178.16 179.55 2hc5 h THR 38 N 0.38 1.24 -0.27 1.81 1.35 -2.01 -2.94 112.91 112.47 2hc5 h THR 38 Ca 0.58 -0.83 -0.04 0.00 -0.55 0.00 0.00 66.41 65.57 2hc5 h THR 38 Cb 1.12 0.85 -0.02 0.00 -1.73 0.00 0.00 68.15 68.38 2hc5 h THR 38 CO -0.55 0.30 0.01 0.78 -0.25 0.00 0.00 175.52 175.82 2hc5 h ASN 39 N 0.67 0.37 -0.01 5.36 -0.26 -1.38 -2.55 115.58 117.78 2hc5 h ASN 39 Ca 0.15 -0.05 0.02 0.00 -0.56 0.00 0.00 56.30 55.86 2hc5 h ASN 39 Cb 0.33 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.47 2hc5 h ASN 39 CO 0.00 0.42 -0.10 -0.07 -1.06 0.00 0.00 177.43 176.63 2hc5 h LEU 40 N 0.40 -0.29 -1.02 1.61 4.07 -1.24 -0.72 115.31 118.12 2hc5 h LEU 40 Ca 0.09 0.05 0.05 0.00 0.08 0.00 0.00 57.88 58.15 2hc5 h LEU 40 Cb 0.24 0.13 -0.06 0.00 1.08 0.00 0.00 40.66 42.05 2hc5 h LEU 40 CO 0.00 -0.14 0.65 0.00 -1.08 0.00 0.00 178.44 177.87 2hc5 h ALA 41 N 0.82 1.37 -0.17 1.53 0.00 -1.47 0.14 119.26 121.48 2hc5 h ALA 41 Ca 0.04 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2hc5 h ALA 41 Cb 0.22 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2hc5 h ALA 41 CO -0.11 0.51 0.08 0.93 0.00 0.00 0.00 179.25 180.66 2hc5 h GLU 42 N 1.23 0.17 -0.00 0.00 5.08 -1.08 -1.66 114.58 118.32 2hc5 h GLU 42 Ca 0.41 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.62 2hc5 h GLU 42 Cb 0.07 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2hc5 h GLU 42 CO -0.15 0.11 -0.68 0.52 -1.00 0.00 0.00 179.01 177.81 2hc5 h MET 43 N 0.18 0.00 -0.69 2.33 2.86 -0.41 -2.73 114.93 116.47 2hc5 h MET 43 Ca 0.07 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.63 2hc5 h MET 43 Cb 0.01 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 2hc5 h MET 43 CO -0.05 0.69 0.15 0.28 1.06 0.00 0.00 176.91 179.04 2hc5 h VAL 44 N 0.00 1.26 -0.41 -2.22 2.07 -0.54 -2.07 116.25 114.35 2hc5 h VAL 44 Ca -0.01 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 2hc5 h VAL 44 Cb 1.21 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2hc5 h VAL 44 CO 0.09 0.38 0.19 1.23 0.02 0.00 0.00 177.57 179.48 2hc5 h GLY 45 N 1.05 0.64 2.00 2.17 0.00 -1.07 -2.78 103.07 105.09 2hc5 h GLY 45 Ca 0.22 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 2hc5 h GLY 45 CO 0.01 0.31 -0.26 1.05 0.00 0.00 0.00 176.54 177.65 2hc5 h GLU 46 N 0.52 0.00 -0.96 4.80 4.11 -1.40 -2.29 114.58 119.36 2hc5 h GLU 46 Ca 0.14 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.64 2hc5 h GLU 46 Cb 0.14 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.32 2hc5 h GLU 46 CO -0.02 0.26 0.61 0.52 0.07 0.00 0.00 179.01 180.45 2hc5 h MET 47 N 0.00 1.06 0.00 1.06 2.86 -1.09 -1.10 114.93 117.72 2hc5 h MET 47 Ca -0.00 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 2hc5 h MET 47 Cb 0.80 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 2hc5 h MET 47 CO 0.03 0.70 -0.15 -0.91 1.06 0.00 0.00 176.91 177.64 2hc5 h ASN 48 N 1.09 0.00 0.44 1.22 -0.26 -1.35 -3.02 115.58 113.71 2hc5 h ASN 48 Ca 0.42 0.00 -0.31 0.00 -0.56 0.00 0.00 56.30 55.86 2hc5 h ASN 48 Cb 0.21 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 2hc5 h ASN 48 CO -0.18 0.15 -1.57 0.11 -1.06 0.00 0.00 177.43 174.87 2hc5 h LYS 49 N 0.00 0.22 -0.44 0.81 1.57 -1.21 -2.83 116.57 114.69 2hc5 h LYS 49 Ca -0.00 -0.38 -0.08 0.00 -1.87 0.00 0.00 60.65 58.32 2hc5 h LYS 49 Cb 0.58 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 2hc5 h LYS 49 CO 0.02 1.06 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.84 2hc5 h LEU 50 N 0.06 0.73 -3.17 2.94 3.38 -1.13 -3.05 115.31 115.06 2hc5 h LEU 50 Ca -0.26 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.40 2hc5 h LEU 50 Cb 2.01 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 42.47 2hc5 h LEU 50 CO 0.15 0.84 -0.54 0.00 0.09 0.00 0.00 178.44 178.98 2hc5 n LEU 51 N -4.19 3.25 -0.10 1.67 -0.00 -1.21 -4.82 117.00 111.60 2hc5 n LEU 51 Ca 0.02 -4.07 -0.06 0.00 -0.00 0.00 0.00 56.01 51.90 2hc5 n LEU 51 Cb 0.33 -0.50 0.00 0.00 -0.00 0.00 0.00 43.42 43.25 2hc5 n LEU 51 CO 0.42 1.54 0.75 -0.08 -0.00 0.00 0.00 177.39 180.03 2hc5 h GLU 52 N 1.24 -0.09 -1.03 1.47 4.22 -1.39 -1.99 114.58 117.01 2hc5 h GLU 52 Ca 0.09 0.01 -0.42 0.00 0.08 0.00 0.00 59.36 59.12 2hc5 h GLU 52 Cb 1.14 0.02 -0.24 0.00 0.50 0.00 0.00 28.75 30.18 2hc5 h GLU 52 CO 0.18 -0.06 0.53 -0.35 -2.18 0.00 0.00 179.01 177.13 2hc5 n PRO 53 N -5.33 2.01 -3.00 0.92 -0.04 -1.26 -4.95 135.00 123.35 2hc5 n PRO 53 Ca 0.01 -2.34 -0.32 0.00 -0.04 0.00 0.00 63.50 60.81 2hc5 n PRO 53 Cb 0.25 -1.92 -0.06 0.00 -0.04 0.00 0.00 33.50 31.73 2hc5 n PRO 53 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2hc5 s SER 54 N -0.79 6.78 0.47 3.54 1.04 -0.75 -3.73 113.70 120.25 2hc5 s SER 54 Ca 0.45 1.37 0.25 0.00 0.48 0.00 0.00 55.95 58.50 2hc5 s SER 54 Cb 0.37 -2.41 1.12 0.00 0.10 0.00 0.00 66.02 65.20 2hc5 s SER 54 CO 0.07 -0.28 1.92 -0.61 0.98 0.00 0.00 173.24 175.32 2hc5 h GLN 55 N 2.00 0.00 0.00 4.02 5.75 -1.58 -3.19 115.11 122.11 2hc5 h GLN 55 Ca -0.48 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 57.82 2hc5 h GLN 55 Cb 1.18 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.70 2hc5 h GLN 55 CO 0.64 0.20 -1.02 -0.24 -2.65 0.00 0.00 178.83 175.76 2hc5 h VAL 56 N 0.00 1.42 0.00 2.39 3.04 -1.86 -3.44 116.25 117.80 2hc5 h VAL 56 Ca -0.00 -3.08 0.00 0.00 -1.01 0.00 0.00 66.70 62.61 2hc5 h VAL 56 Cb 0.58 2.69 0.00 0.00 -2.01 0.00 0.00 31.29 32.56 2hc5 h VAL 56 CO 0.03 0.81 0.00 1.41 -1.01 0.00 0.00 177.57 178.81 2hc5 n HIS 57 N -3.27 0.00 -1.50 3.17 8.25 -1.21 -4.40 115.22 116.25 2hc5 n HIS 57 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2hc5 n HIS 57 Cb 0.92 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.03 2hc5 n HIS 57 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2hc5 n LEU 58 N 0.00 -1.68 -4.06 2.41 7.99 -1.26 -4.93 117.00 115.47 2hc5 n LEU 58 Ca 0.00 2.75 -0.31 0.00 -0.01 0.00 0.00 56.01 58.44 2hc5 n LEU 58 Cb 0.00 -2.93 -0.16 0.00 -0.11 0.00 0.00 43.42 40.22 2hc5 n LEU 58 CO 0.00 -0.62 -0.50 -0.54 -1.51 0.00 0.00 177.39 174.22 2hc5 s LYS 59 N -5.14 2.58 -0.23 3.23 1.02 0.22 -4.74 119.74 116.67 2hc5 s LYS 59 Ca 0.00 -0.73 -0.06 0.00 0.02 0.00 0.00 55.97 55.20 2hc5 s LYS 59 Cb 0.00 -2.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.92 2hc5 s LYS 59 CO 0.00 -0.25 0.01 -0.06 -0.92 0.00 0.00 175.35 174.13 2hc5 s PHE 60 N 1.38 3.02 -0.00 3.18 0.08 -1.26 -0.24 117.98 124.14 2hc5 s PHE 60 Ca 0.04 -0.67 0.06 0.00 0.12 0.00 0.00 56.93 56.47 2hc5 s PHE 60 Cb -0.13 -2.17 -0.02 0.00 -0.57 0.00 0.00 43.02 40.13 2hc5 s PHE 60 CO -0.11 -0.45 -0.18 -1.21 -0.10 0.00 0.00 175.22 173.17 2hc5 s GLU 61 N 1.53 1.41 -0.50 0.44 2.02 -1.03 -4.99 118.70 117.57 2hc5 s GLU 61 Ca 0.06 -0.69 -0.18 0.00 0.02 0.00 0.00 54.97 54.18 2hc5 s GLU 61 Cb -0.15 -1.39 0.07 0.00 0.10 0.00 0.00 34.13 32.76 2hc5 s GLU 61 CO 0.00 0.38 0.54 -1.17 0.02 0.00 0.00 175.26 175.02 2hc5 s LEU 62 N -0.58 5.31 -0.17 1.80 2.96 -1.26 -0.90 118.68 125.84 2hc5 s LEU 62 Ca 0.07 -1.15 -0.02 0.00 -0.22 0.00 0.00 54.13 52.80 2hc5 s LEU 62 Cb -0.07 -2.32 -0.01 0.00 0.50 0.00 0.00 46.19 44.28 2hc5 s LEU 62 CO -0.00 -0.81 -0.08 -1.00 -1.32 0.00 0.00 176.35 173.14 2hc5 s HIS 63 N 2.20 2.91 0.12 5.38 3.76 -0.20 -4.92 115.29 124.55 2hc5 s HIS 63 Ca 0.10 -0.69 -0.03 0.00 -0.15 0.00 0.00 55.06 54.29 2hc5 s HIS 63 Cb -0.22 -1.97 -0.05 0.00 1.11 0.00 0.00 32.58 31.45 2hc5 s HIS 63 CO 0.09 -0.31 0.33 0.16 -0.85 0.00 0.00 174.74 174.16 2hc5 s ASP 64 N 0.78 6.44 -0.21 1.40 -4.77 -1.26 -1.73 116.67 117.32 2hc5 s ASP 64 Ca -0.03 0.47 -0.12 0.00 -3.30 0.00 0.00 52.55 49.57 2hc5 s ASP 64 Cb -0.15 -2.04 0.07 0.00 -1.09 0.00 0.00 42.92 39.71 2hc5 s ASP 64 CO 0.01 0.08 0.51 -1.59 0.70 0.00 0.00 175.17 174.88 2hc5 s LYS 65 N -2.69 0.51 0.00 2.11 -2.85 0.10 -4.95 119.74 111.97 2hc5 s LYS 65 Ca 0.39 0.94 0.00 0.00 -1.00 0.00 0.00 55.97 56.30 2hc5 s LYS 65 Cb -0.12 0.05 0.00 0.00 -2.06 0.00 0.00 37.83 35.70 2hc5 s LYS 65 CO 0.26 -0.15 0.00 -0.11 0.10 0.00 0.00 175.35 175.45 2hc5 n LEU 66 N 4.21 0.00 0.00 2.77 0.00 -1.26 0.16 117.00 122.88 2hc5 n LEU 66 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.79 2hc5 n LEU 66 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.99 2hc5 n LEU 66 CO 0.05 0.00 0.10 -3.20 0.00 0.00 0.00 177.39 174.33 2hc5 n ASN 67 N 2.13 0.00 -4.74 1.96 2.85 -1.26 -5.12 115.26 111.07 2hc5 n ASN 67 Ca 0.00 -1.00 -0.23 0.00 -0.11 0.00 0.00 54.58 53.24 2hc5 n ASN 67 Cb 0.00 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 40.96 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 0.00 2.34 -0.15 1.20 2.02 0.12 -5.14 118.70 119.09 2hc5 s GLU 68 Ca 0.00 -1.63 -0.09 0.00 0.02 0.00 0.00 54.97 53.27 2hc5 s GLU 68 Cb 0.00 -2.13 0.05 0.00 0.10 0.00 0.00 34.13 32.15 2hc5 s GLU 68 CO 0.00 0.03 0.38 1.52 0.02 0.00 0.00 175.26 177.21 2hc5 s TYR 69 N -2.48 -0.53 0.12 1.61 -0.85 -1.26 0.01 117.35 113.98 2hc5 s TYR 69 Ca 0.39 1.16 -0.04 0.00 -0.52 0.00 0.00 57.07 58.06 2hc5 s TYR 69 Cb -0.01 0.21 -0.03 0.00 0.38 0.00 0.00 41.96 42.52 2hc5 s TYR 69 CO 0.23 -0.30 0.12 1.52 -1.52 0.00 0.00 175.55 175.60 2hc5 s TYR 70 N 1.18 0.57 -0.25 -3.49 1.13 -0.71 -4.24 117.35 111.54 2hc5 s TYR 70 Ca -0.08 -0.98 -0.09 0.00 -1.41 0.00 0.00 57.07 54.51 2hc5 s TYR 70 Cb -0.08 -0.29 -0.04 0.00 -1.10 0.00 0.00 41.96 40.46 2hc5 s TYR 70 CO -0.10 -0.55 0.11 0.08 -2.51 0.00 0.00 175.55 172.58 2hc5 s VAL 71 N -3.98 4.75 -0.11 -3.49 1.01 -0.12 -1.03 120.40 117.43 2hc5 s VAL 71 Ca 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 2hc5 s VAL 71 Cb 0.06 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 2hc5 s VAL 71 CO -0.03 0.33 -0.07 -1.59 0.00 0.00 0.00 175.10 173.74 2hc5 s LYS 72 N 1.47 3.14 -0.34 2.72 -2.85 -0.07 -0.63 119.74 123.18 2hc5 s LYS 72 Ca 0.06 -0.56 -0.19 0.00 -1.00 0.00 0.00 55.97 54.29 2hc5 s LYS 72 Cb -0.15 -2.70 -0.01 0.00 -2.06 0.00 0.00 37.83 32.91 2hc5 s LYS 72 CO 0.06 0.46 0.54 0.08 0.10 0.00 0.00 175.35 176.59 2hc5 s VAL 73 N -0.27 5.00 -0.18 1.79 1.01 0.20 -2.48 120.40 125.48 2hc5 s VAL 73 Ca 0.04 0.47 -0.04 0.00 0.00 0.00 0.00 61.98 62.44 2hc5 s VAL 73 Cb -0.13 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2hc5 s VAL 73 CO 0.03 -0.20 -0.02 -0.63 0.00 0.00 0.00 175.10 174.28 2hc5 s ILE 74 N 2.45 3.93 -0.12 2.22 1.01 0.67 -0.53 121.20 130.82 2hc5 s ILE 74 Ca 0.20 -0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.22 2hc5 s ILE 74 Cb -0.15 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 2hc5 s ILE 74 CO 0.13 0.46 1.25 -0.70 0.00 0.00 0.00 174.94 176.08 2hc5 s GLU 75 N 0.66 4.27 0.29 2.79 2.56 -0.17 0.70 118.70 129.80 2hc5 s GLU 75 Ca -0.01 1.68 0.06 0.00 0.00 0.00 0.00 54.97 56.70 2hc5 s GLU 75 Cb -0.14 -3.70 0.44 0.00 2.00 0.00 0.00 34.13 32.73 2hc5 s GLU 75 CO 0.02 -0.62 1.69 0.22 -0.56 0.00 0.00 175.26 176.01 2hc5 h ASP 76 N 7.97 0.25 1.22 -1.70 3.58 -1.85 0.85 116.42 126.74 2hc5 h ASP 76 Ca -0.29 -0.11 -0.16 0.00 0.42 0.00 0.00 57.03 56.89 2hc5 h ASP 76 Cb 1.12 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 42.08 2hc5 h ASP 76 CO 0.94 0.65 -0.78 -1.28 -2.88 0.00 0.00 179.24 175.90 2hc5 h SER 77 N 0.20 0.00 0.00 2.28 0.87 -1.91 -3.30 113.55 111.69 2hc5 h SER 77 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2hc5 h SER 77 Cb 0.84 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2hc5 h SER 77 CO 0.07 0.78 -1.65 0.41 -0.53 0.00 0.00 176.83 175.90 2hc5 n THR 78 N -3.29 0.00 -1.23 2.23 -1.04 -1.10 -4.98 114.28 104.85 2hc5 n THR 78 Ca 0.01 -0.34 -0.08 0.00 -2.04 0.00 0.00 64.05 61.60 2hc5 n THR 78 Cb 0.85 0.33 -0.03 0.00 -1.82 0.00 0.00 70.33 69.65 2hc5 n THR 78 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2hc5 n ASN 79 N -2.00 -3.97 -4.18 8.00 5.03 0.27 -5.00 115.26 113.42 2hc5 n ASN 79 Ca -0.01 0.20 -0.11 0.00 0.87 0.00 0.00 54.58 55.53 2hc5 n ASN 79 Cb 0.48 -2.18 -0.10 0.00 -1.02 0.00 0.00 39.78 36.96 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 -2.68 0.94 -0.04 3.52 -1.05 -1.21 -4.98 118.70 113.19 2hc5 s GLU 80 Ca 0.00 -1.43 -0.28 0.00 -0.15 0.00 0.00 54.97 53.11 2hc5 s GLU 80 Cb 0.00 -0.03 -0.03 0.00 -0.44 0.00 0.00 34.13 33.63 2hc5 s GLU 80 CO 0.00 -0.15 0.91 0.08 0.95 0.00 0.00 175.26 177.04 2hc5 s VAL 81 N -3.81 4.90 -0.57 1.83 1.01 -1.26 -1.00 120.40 121.49 2hc5 s VAL 81 Ca 0.20 1.88 0.15 0.00 0.00 0.00 0.00 61.98 64.21 2hc5 s VAL 81 Cb 0.07 -4.24 -0.18 0.00 0.00 0.00 0.00 36.38 32.02 2hc5 s VAL 81 CO 0.00 0.15 0.58 2.30 0.00 0.00 0.00 175.10 178.13 2hc5 n ILE 82 N 4.04 0.00 -3.64 2.22 -5.35 0.31 -4.90 119.36 112.03 2hc5 n ILE 82 Ca 0.05 -0.19 -0.06 0.00 -0.27 0.00 0.00 62.75 62.28 2hc5 n ILE 82 Cb 0.51 0.82 -0.07 0.00 -1.74 0.00 0.00 39.64 39.15 2hc5 n ILE 82 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2hc5 s ARG 83 N -2.58 0.55 -0.26 6.28 6.06 -1.05 -5.01 118.95 122.94 2hc5 s ARG 83 Ca 0.03 0.85 -0.05 0.00 -2.50 0.00 0.00 55.73 54.06 2hc5 s ARG 83 Cb 0.11 0.16 -0.00 0.00 0.06 0.00 0.00 34.95 35.28 2hc5 s ARG 83 CO 0.63 -0.10 0.02 -1.21 -2.50 0.00 0.00 175.30 172.14 2hc5 s GLU 84 N 1.11 3.26 -0.29 5.12 2.02 -1.26 0.63 118.70 129.30 2hc5 s GLU 84 Ca -0.06 -0.72 -0.04 0.00 0.02 0.00 0.00 54.97 54.16 2hc5 s GLU 84 Cb -0.04 -3.19 0.02 0.00 0.10 0.00 0.00 34.13 31.02 2hc5 s GLU 84 CO -0.13 -0.31 0.03 0.42 0.02 0.00 0.00 175.26 175.29 2hc5 s ILE 85 N 1.49 3.47 0.59 -1.63 1.01 0.20 -4.98 121.20 121.34 2hc5 s ILE 85 Ca 0.04 -0.95 -0.16 0.00 0.00 0.00 0.00 60.65 59.59 2hc5 s ILE 85 Cb -0.16 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 2hc5 s ILE 85 CO -0.00 0.06 1.05 -2.16 0.00 0.00 0.00 174.94 173.89 2hc5 s PRO 86 N 1.40 3.38 0.42 2.79 0.04 -1.26 -0.95 135.00 140.81 2hc5 s PRO 86 Ca 0.00 1.17 0.14 0.00 0.04 0.00 0.00 61.00 62.35 2hc5 s PRO 86 Cb -0.18 -2.04 1.01 0.00 0.04 0.00 0.00 34.50 33.33 2hc5 s PRO 86 CO -0.00 -0.76 1.94 -1.00 0.04 0.00 0.00 177.00 177.22 2hc5 h PRO 87 N 0.45 0.44 0.00 0.56 0.13 -1.96 -0.50 132.00 131.12 2hc5 h PRO 87 Ca -0.47 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2hc5 h PRO 87 Cb 1.22 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2hc5 h PRO 87 CO 0.58 0.29 0.00 1.57 -0.23 0.00 0.00 178.00 180.21 2hc5 h LYS 88 N 0.46 0.00 -0.04 0.86 2.10 -1.94 -2.31 116.57 115.69 2hc5 h LYS 88 Ca 0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.99 2hc5 h LYS 88 Cb 0.71 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 2hc5 h LYS 88 CO -0.11 0.00 0.00 0.54 -2.00 0.00 0.00 179.45 177.88 2hc5 n ARG 89 N -2.32 2.42 -0.06 0.07 1.74 -0.27 -4.60 116.66 113.64 2hc5 n ARG 89 Ca 0.03 -1.97 -0.13 0.00 -0.77 0.00 0.00 57.85 55.01 2hc5 n ARG 89 Cb 0.30 -1.23 -0.01 0.00 -1.02 0.00 0.00 32.46 30.50 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 0.25 0.98 -0.75 -1.55 2.91 -0.76 -3.18 115.95 113.86 2hc5 h TRP 90 Ca 0.00 -0.34 0.01 0.00 1.13 0.00 0.00 58.89 59.68 2hc5 h TRP 90 Cb 0.73 -0.19 -0.04 0.00 -0.51 0.00 0.00 29.16 29.16 2hc5 h TRP 90 CO 0.04 1.14 0.50 -0.07 -1.03 0.00 0.00 178.44 179.02 2hc5 h LEU 91 N 0.61 0.86 0.19 0.65 4.07 -1.81 0.32 115.31 120.19 2hc5 h LEU 91 Ca 0.02 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 2hc5 h LEU 91 Cb 1.12 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.64 2hc5 h LEU 91 CO 0.11 0.62 -0.09 0.44 -1.08 0.00 0.00 178.44 178.44 2hc5 h ASP 92 N 1.01 -0.21 -0.15 -0.43 5.19 -1.87 -0.54 116.42 119.42 2hc5 h ASP 92 Ca 0.27 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 2hc5 h ASP 92 Cb -0.12 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 2hc5 h ASP 92 CO -0.06 -0.06 0.10 0.15 -3.12 0.00 0.00 179.24 176.24 2hc5 h PHE 93 N -0.35 0.20 -0.96 4.55 3.57 -1.34 -0.85 116.94 121.76 2hc5 h PHE 93 Ca -0.03 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.50 2hc5 h PHE 93 Cb 0.27 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 2hc5 h PHE 93 CO -0.03 0.15 0.63 -0.92 -2.23 0.00 0.00 178.31 175.91 2hc5 h TYR 94 N 0.18 1.19 0.10 0.41 3.20 -0.36 0.79 116.97 122.49 2hc5 h TYR 94 Ca 0.06 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 2hc5 h TYR 94 Cb 0.01 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 37.88 2hc5 h TYR 94 CO -0.06 0.72 -0.05 0.00 -1.64 0.00 0.00 178.16 177.13 2hc5 h ALA 95 N 1.37 -0.14 -0.84 1.82 0.00 -0.78 -2.32 119.26 118.38 2hc5 h ALA 95 Ca 0.37 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.22 2hc5 h ALA 95 Cb -0.07 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2hc5 h ALA 95 CO -0.10 -0.49 0.55 0.00 0.00 0.00 0.00 179.25 179.21 2hc5 h ALA 96 N 0.56 1.54 -0.22 0.00 0.00 -0.67 -0.27 119.26 120.20 2hc5 h ALA 96 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2hc5 h ALA 96 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2hc5 h ALA 96 CO 0.02 0.35 0.14 0.52 0.00 0.00 0.00 179.25 180.29 2hc5 h MET 97 N 0.97 0.29 0.00 0.00 2.07 -0.70 0.12 114.93 117.68 2hc5 h MET 97 Ca 0.35 -0.02 -0.10 0.00 -2.07 0.00 0.00 59.70 57.86 2hc5 h MET 97 Cb 0.14 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 29.79 2hc5 h MET 97 CO -0.12 0.19 -0.48 1.79 1.07 0.00 0.00 176.91 179.37 2hc5 h THR 98 N 0.30 1.08 -0.07 2.22 1.35 -0.78 0.32 112.91 117.32 2hc5 h THR 98 Ca 0.08 -1.80 -0.24 0.00 -0.55 0.00 0.00 66.41 63.90 2hc5 h THR 98 Cb -0.03 2.05 0.02 0.00 -1.73 0.00 0.00 68.15 68.46 2hc5 h THR 98 CO -0.02 0.47 -0.89 -0.33 -0.25 0.00 0.00 175.52 174.50 2hc5 h GLU 99 N 0.00 0.73 0.00 4.72 5.08 -0.81 -2.22 114.58 122.07 2hc5 h GLU 99 Ca -0.00 -0.69 -0.01 0.00 -1.00 0.00 0.00 59.36 57.65 2hc5 h GLU 99 Cb 1.01 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2hc5 h GLU 99 CO 0.06 1.28 -0.21 0.35 -1.00 0.00 0.00 179.01 179.49 2hc5 h PHE 100 N 0.43 0.00 0.00 4.33 3.57 -0.87 -3.38 116.94 121.01 2hc5 h PHE 100 Ca -0.09 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.41 2hc5 h PHE 100 Cb 1.53 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.27 2hc5 h PHE 100 CO 0.10 0.23 0.00 -0.07 -2.23 0.00 0.00 178.31 176.33 2hc5 h LEU 101 N -1.00 0.00 0.00 0.59 3.38 -0.55 -2.58 115.31 115.15 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 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2hc5 h LEU 101 CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13 2hc5 n GLY 102 N 0.83 -0.74 0.05 0.83 0.00 -0.84 -1.43 105.19 103.89 2hc5 n GLY 102 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.56 0.00 -0.00 0.99 4.77 -0.97 -4.42 117.00 116.81 2hc5 n LEU 103 Ca 0.02 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.12 2hc5 n LEU 103 Cb 0.01 0.23 0.25 0.00 -2.33 0.00 0.00 43.42 41.59 2hc5 n LEU 103 CO 0.02 0.23 0.46 0.49 -1.33 0.00 0.00 177.39 177.26 2hc5 n PHE 104 N -2.44 0.00 -1.77 -1.77 3.01 -0.52 -4.94 117.46 109.04 2hc5 n PHE 104 Ca -0.17 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.88 2hc5 n PHE 104 Cb 0.81 -0.25 -0.01 0.00 -0.01 0.00 0.00 39.48 40.02 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 -2.99 2.03 -1.03 -4.37 -7.23 -1.04 -4.74 120.40 101.03 2hc5 s VAL 105 Ca 0.11 0.02 -0.14 0.00 -1.81 0.00 0.00 61.98 60.17 2hc5 s VAL 105 Cb 0.18 -3.02 0.20 0.00 0.56 0.00 0.00 36.38 34.30 2hc5 s VAL 105 CO 0.70 0.00 1.14 -0.62 -0.31 0.00 0.00 175.10 176.01 2hc5 s ASP 106 N 0.41 6.96 0.00 4.85 2.15 -1.26 -4.96 116.67 124.82 2hc5 s ASP 106 Ca 0.62 -2.83 0.00 0.00 0.43 0.00 0.00 52.55 50.77 2hc5 s ASP 106 Cb -0.48 -2.31 0.00 0.00 -0.30 0.00 0.00 42.92 39.83 2hc5 s ASP 106 CO 0.50 -0.68 0.00 1.21 -0.17 0.00 0.00 175.17 176.03 2hc5 n GLU 107 N 4.82 0.00 0.02 4.34 2.13 -1.26 0.16 120.64 130.84 2hc5 n GLU 107 Ca 0.26 0.00 0.06 0.00 0.66 0.00 0.00 57.16 58.14 2hc5 n GLU 107 Cb 0.44 0.00 0.27 0.00 0.27 0.00 0.00 31.44 32.42 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 0.02 0.00 5.31 4.76 -1.26 -0.27 118.16 126.72 2hc5 n LYS 108 Ca 0.00 0.33 0.14 0.00 -2.87 0.00 0.00 58.31 55.90 2hc5 n LYS 108 Cb 0.00 -1.55 0.48 0.00 -1.84 0.00 0.00 35.03 32.13 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 -1.59 0.87 -0.05 1.97 4.01 0.12 -4.07 118.16 119.43 2hc5 n LYS 109 Ca 0.03 -0.44 -0.16 0.00 -0.51 0.00 0.00 58.31 57.22 2hc5 n LYS 109 Cb 0.14 -1.49 -0.13 0.00 -0.51 0.00 0.00 35.03 33.03 2hc5 n LYS 109 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 2hc5 h LEU 110 N 1.08 0.09 0.65 -0.35 3.38 -0.82 -3.48 115.31 115.87 2hc5 h LEU 110 Ca 0.00 -0.95 -0.27 0.00 0.09 0.00 0.00 57.88 56.76 2hc5 h LEU 110 Cb 0.45 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.06 2hc5 h LEU 110 CO 0.00 1.13 -0.24 -0.62 0.09 0.00 0.00 178.44 178.80 2hc5 n GLU 111 N -4.49 -1.63 -2.19 1.13 -0.58 -1.24 -4.93 120.64 106.71 2hc5 n GLU 111 Ca -0.13 0.93 -0.43 0.00 -0.42 0.00 0.00 57.16 57.11 2hc5 n GLU 111 Cb 0.57 -5.31 -0.02 0.00 -0.57 0.00 0.00 31.44 26.11 2hc5 n GLU 111 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2hc5 s HIS 112 N -2.08 2.20 -1.16 -0.32 3.76 -1.26 -4.89 115.29 111.54 2hc5 s HIS 112 Ca 0.00 0.64 -0.21 0.00 -0.15 0.00 0.00 55.06 55.34 2hc5 s HIS 112 Cb 0.00 -4.08 -0.01 0.00 1.11 0.00 0.00 32.58 29.60 2hc5 s HIS 112 CO 0.00 -2.53 1.80 -1.58 -0.85 0.00 0.00 174.74 171.58 2hc5 s HIS 113 N 5.48 2.30 0.26 1.40 2.46 -1.26 -3.52 115.29 122.41 2hc5 s HIS 113 Ca 0.68 -0.42 0.00 0.00 0.47 0.00 0.00 55.06 55.79 2hc5 s HIS 113 Cb -0.20 -4.37 0.00 0.00 -0.13 0.00 0.00 32.58 27.87 2hc5 s HIS 113 CO 0.30 -1.60 0.00 0.72 -2.47 0.00 0.00 174.74 171.69 2hc5 n HIS 114 N 11.46 -3.47 -2.97 3.88 8.25 -1.26 -5.13 115.22 125.98 2hc5 n HIS 114 Ca 0.44 0.84 -0.07 0.00 -0.26 0.00 0.00 57.72 58.66 2hc5 n HIS 114 Cb 0.47 2.26 0.01 0.00 1.12 0.00 0.00 29.99 33.85 2hc5 n HIS 114 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2hc5 n HIS 115 N -3.04 -2.82 -3.28 4.41 -0.00 -1.23 -5.03 115.22 104.23 2hc5 n HIS 115 Ca 0.00 1.21 -0.04 0.00 -0.00 0.00 0.00 57.72 58.89 2hc5 n HIS 115 Cb 0.00 -3.06 -0.05 0.00 -0.00 0.00 0.00 29.99 26.88 2hc5 n HIS 115 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2hc5 s HIS 116 N -1.71 -1.15 -1.39 1.57 2.46 -1.26 -5.23 115.29 108.58 2hc5 s HIS 116 Ca 0.11 1.23 0.11 0.00 0.47 0.00 0.00 55.06 56.99 2hc5 s HIS 116 Cb -0.02 0.26 0.09 0.00 -0.13 0.00 0.00 32.58 32.78 2hc5 s HIS 116 CO 0.62 -0.78 0.85 -2.39 -2.47 0.00 0.00 174.74 170.58