#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 3.49 0.31 -1.43 3.84 -1.26 -4.99 114.94 114.89 2hc5 s ASN 2 Ca 0.00 -0.71 0.14 0.00 0.21 0.00 0.00 52.86 52.49 2hc5 s ASN 2 Cb 0.00 -1.53 0.45 0.00 -0.55 0.00 0.00 41.25 39.62 2hc5 s ASN 2 CO 0.00 -0.03 1.64 -0.29 -2.79 0.00 0.00 177.10 175.63 2hc5 h ILE 3 N 6.01 1.20 0.00 -5.21 2.10 -1.95 -2.87 117.51 116.79 2hc5 h ILE 3 Ca -0.42 -1.94 0.00 0.00 1.08 0.00 0.00 64.86 63.58 2hc5 h ILE 3 Cb 1.13 2.10 0.00 0.00 -1.09 0.00 0.00 36.82 38.96 2hc5 h ILE 3 CO 0.61 0.52 0.00 -0.62 -1.08 0.00 0.00 178.15 177.58 2hc5 n GLU 4 N -3.64 0.82 -0.01 2.19 1.02 -1.25 -2.35 120.64 117.41 2hc5 n GLU 4 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2hc5 n GLU 4 Cb 0.59 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 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 -0.95 0.86 0.30 3.49 5.12 -1.12 -4.58 116.66 119.77 2hc5 n ARG 5 Ca 0.18 -0.81 -0.12 0.00 -1.93 0.00 0.00 57.85 55.17 2hc5 n ARG 5 Cb 0.08 -0.65 -0.06 0.00 -1.16 0.00 0.00 32.46 30.67 2hc5 n ARG 5 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2hc5 h LEU 6 N 0.00 -0.65 1.48 0.55 5.85 -1.25 -3.46 115.31 117.83 2hc5 h LEU 6 Ca 0.00 0.02 -0.21 0.00 0.84 0.00 0.00 57.88 58.53 2hc5 h LEU 6 Cb 0.87 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 2hc5 h LEU 6 CO 0.00 -0.42 -0.21 1.07 -0.34 0.00 0.00 178.44 178.54 2hc5 n THR 7 N -4.30 -0.16 -3.64 1.05 5.66 -1.26 -4.88 114.28 106.75 2hc5 n THR 7 Ca -0.10 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.81 2hc5 n THR 7 Cb 0.30 -1.13 -0.07 0.00 -1.55 0.00 0.00 70.33 67.88 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 -2.08 0.00 -0.30 1.09 -1.32 -1.26 -4.83 115.64 106.94 2hc5 s THR 8 Ca 0.00 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.58 2hc5 s THR 8 Cb 0.00 -1.00 0.59 0.00 -1.51 0.00 0.00 72.50 70.58 2hc5 s THR 8 CO 0.00 0.00 1.60 0.18 -2.21 0.00 0.00 174.62 174.19 2hc5 n LEU 9 N 3.24 4.89 -0.13 9.08 4.77 -1.26 -4.73 117.00 132.86 2hc5 n LEU 9 Ca -0.16 -3.46 -0.04 0.00 -0.03 0.00 0.00 56.01 52.32 2hc5 n LEU 9 Cb 0.57 -0.67 0.04 0.00 -2.33 0.00 0.00 43.42 41.03 2hc5 n LEU 9 CO 0.01 1.00 0.87 -0.61 -1.33 0.00 0.00 177.39 177.33 2hc5 h GLN 10 N 1.53 0.14 -0.14 3.23 5.75 -1.98 0.46 115.11 124.10 2hc5 h GLN 10 Ca 0.25 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.78 2hc5 h GLN 10 Cb 1.95 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 30.46 2hc5 h GLN 10 CO 0.54 0.09 0.10 -1.35 -2.65 0.00 0.00 178.83 175.56 2hc5 h PRO 11 N 0.14 0.00 -0.03 -2.39 0.11 -1.99 0.22 132.00 128.06 2hc5 h PRO 11 Ca 0.21 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.23 2hc5 h PRO 11 Cb 0.30 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.41 2hc5 h PRO 11 CO -0.33 0.00 -0.34 0.28 -0.21 0.00 0.00 178.00 177.40 2hc5 h VAL 12 N 0.00 1.46 -0.41 3.15 2.07 -1.44 -1.87 116.25 119.21 2hc5 h VAL 12 Ca 0.07 -1.85 -0.04 0.00 0.82 0.00 0.00 66.70 65.70 2hc5 h VAL 12 Cb 0.27 2.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 2hc5 h VAL 12 CO -0.00 0.52 0.08 -0.50 0.02 0.00 0.00 177.57 177.69 2hc5 h TRP 13 N -0.26 0.62 -0.50 1.57 -0.00 -0.53 0.42 115.95 117.27 2hc5 h TRP 13 Ca -0.03 -0.05 0.03 0.00 -0.00 0.00 0.00 58.89 58.84 2hc5 h TRP 13 Cb 1.04 -0.19 -0.04 0.00 -0.00 0.00 0.00 29.16 29.97 2hc5 h TRP 13 CO 0.15 0.55 0.29 0.22 -0.00 0.00 0.00 178.44 179.64 2hc5 h ASP 14 N 0.59 0.45 -0.56 -3.49 3.58 -0.51 -0.04 116.42 116.44 2hc5 h ASP 14 Ca 0.13 0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.52 2hc5 h ASP 14 Cb 0.25 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 2hc5 h ASP 14 CO -0.00 0.32 0.07 0.03 -2.88 0.00 0.00 179.24 176.78 2hc5 h ARG 15 N 0.57 0.98 -0.57 0.28 3.08 -0.67 -1.64 114.38 116.40 2hc5 h ARG 15 Ca 0.21 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2hc5 h ARG 15 Cb 0.05 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 2hc5 h ARG 15 CO -0.11 0.92 0.31 -0.92 -1.07 0.00 0.00 179.97 179.10 2hc5 h TYR 16 N 0.92 0.79 -0.38 3.04 3.20 -0.16 0.64 116.97 125.03 2hc5 h TYR 16 Ca 0.18 -0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.87 2hc5 h TYR 16 Cb 0.43 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 2hc5 h TYR 16 CO 0.03 0.58 -0.38 -0.44 -1.64 0.00 0.00 178.16 176.32 2hc5 h ASP 17 N 0.77 0.99 0.02 -2.11 3.32 -0.94 -2.94 116.42 115.53 2hc5 h ASP 17 Ca 0.20 -0.46 -0.27 0.00 0.02 0.00 0.00 57.03 56.52 2hc5 h ASP 17 Cb 0.06 -0.28 0.02 0.00 0.22 0.00 0.00 39.33 39.35 2hc5 h ASP 17 CO -0.03 1.25 -1.04 0.71 -1.72 0.00 0.00 179.24 178.41 2hc5 h THR 18 N 0.75 1.28 -0.63 0.35 1.35 -0.95 -3.16 112.91 111.90 2hc5 h THR 18 Ca 0.06 -2.25 0.02 0.00 -0.55 0.00 0.00 66.41 63.69 2hc5 h THR 18 Cb 0.97 2.38 -0.03 0.00 -1.73 0.00 0.00 68.15 69.74 2hc5 h THR 18 CO 0.09 0.70 0.42 -0.61 -0.25 0.00 0.00 175.52 175.87 2hc5 h GLN 19 N 0.39 0.78 -0.10 4.72 -0.00 0.21 -0.62 115.11 120.50 2hc5 h GLN 19 Ca -0.13 -0.05 0.03 0.00 -0.00 0.00 0.00 58.65 58.50 2hc5 h GLN 19 Cb 1.69 -0.18 -0.00 0.00 0.00 0.00 0.00 27.48 28.99 2hc5 h GLN 19 CO 0.20 0.52 0.32 0.82 0.00 0.00 0.00 178.83 180.69 2hc5 h ILE 20 N 0.81 0.11 0.00 2.39 2.04 -1.48 0.47 117.51 121.85 2hc5 h ILE 20 Ca 0.24 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.10 2hc5 h ILE 20 Cb -0.02 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2hc5 h ILE 20 CO -0.06 0.00 0.00 1.41 0.00 0.00 0.00 178.15 179.50 2hc5 n HIS 21 N -3.14 0.04 0.00 1.37 8.25 -0.24 -4.59 115.22 116.91 2hc5 n HIS 21 Ca 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2hc5 n HIS 21 Cb 0.40 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 30.99 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 -1.53 0.00 -2.79 0.41 5.15 0.15 -5.03 115.26 111.62 2hc5 n ASN 22 Ca 0.07 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.83 2hc5 n ASN 22 Cb 0.33 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.60 2hc5 n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2hc5 n GLN 23 N -1.54 -3.59 -4.11 1.20 6.02 -0.25 -4.98 117.38 110.12 2hc5 n GLN 23 Ca 0.00 0.92 -0.33 0.00 -0.01 0.00 0.00 57.00 57.58 2hc5 n GLN 23 Cb 0.00 -5.69 -0.16 0.00 1.02 0.00 0.00 30.24 25.41 2hc5 n GLN 23 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2hc5 s LYS 24 N -5.46 2.91 0.07 -1.09 1.02 -1.26 -4.97 119.74 110.96 2hc5 s LYS 24 Ca 0.19 -0.89 0.04 0.00 0.02 0.00 0.00 55.97 55.33 2hc5 s LYS 24 Cb -0.08 -2.61 -0.24 0.00 -0.52 0.00 0.00 37.83 34.38 2hc5 s LYS 24 CO 0.23 -0.25 1.10 0.38 -0.92 0.00 0.00 175.35 175.90 2hc5 h ASP 25 N 7.92 0.13 -4.79 2.83 2.03 -2.01 -3.49 116.42 119.03 2hc5 h ASP 25 Ca -0.43 -0.16 0.00 0.00 -0.73 0.00 0.00 57.03 55.71 2hc5 h ASP 25 Cb 1.13 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.59 2hc5 h ASP 25 CO 0.62 1.13 -0.19 -3.20 -1.03 0.00 0.00 179.24 176.56 2hc5 n ASN 26 N -3.35 -6.54 0.00 4.15 5.15 -1.26 -4.14 115.26 109.27 2hc5 n ASN 26 Ca -0.06 0.18 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 2hc5 n ASN 26 Cb 0.99 -4.37 0.00 0.00 -0.53 0.00 0.00 39.78 35.87 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 -0.97 0.00 0.00 1.20 2.03 -1.26 -4.70 116.55 112.85 2hc5 n ASP 27 Ca 0.05 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.41 2hc5 n ASP 27 Cb 0.43 -0.12 0.31 0.00 -0.72 0.00 0.00 41.12 41.02 2hc5 n ASP 27 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2hc5 n ASN 28 N 0.25 0.00 -3.15 1.67 2.85 -1.26 -4.88 115.26 110.75 2hc5 n ASN 28 Ca 0.00 -1.32 -0.04 0.00 -0.11 0.00 0.00 54.58 53.11 2hc5 n ASN 28 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2hc5 n ASN 28 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2hc5 n GLU 29 N -0.70 -1.42 -3.39 1.20 1.02 -1.26 -5.04 120.64 111.04 2hc5 n GLU 29 Ca 0.08 1.44 -0.20 0.00 -0.02 0.00 0.00 57.16 58.46 2hc5 n GLU 29 Cb 0.04 -5.26 -0.01 0.00 -0.02 0.00 0.00 31.44 26.19 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 -2.96 2.64 -0.50 2.62 -7.23 -1.26 -5.03 120.40 108.69 2hc5 s VAL 30 Ca 0.02 -1.23 -0.27 0.00 -1.81 0.00 0.00 61.98 58.69 2hc5 s VAL 30 Cb -0.00 -2.87 -0.08 0.00 0.56 0.00 0.00 36.38 33.99 2hc5 s VAL 30 CO 0.77 0.00 2.42 -0.81 -0.31 0.00 0.00 175.10 177.17 2hc5 n PRO 31 N -1.70 1.05 -3.58 4.82 -0.04 -1.26 -4.88 135.00 129.41 2hc5 n PRO 31 Ca 0.05 0.04 -0.14 0.00 -0.04 0.00 0.00 63.50 63.41 2hc5 n PRO 31 Cb 0.61 -3.32 -0.05 0.00 -0.04 0.00 0.00 33.50 30.70 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 11.74 0.03 0.00 0.52 0.11 -1.26 -5.01 120.40 126.53 2hc5 s VAL 32 Ca 1.01 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.83 2hc5 s VAL 32 Cb -0.25 -0.96 0.00 0.00 -1.53 0.00 0.00 36.38 33.64 2hc5 s VAL 32 CO 0.28 -0.13 0.00 1.41 -3.33 0.00 0.00 175.10 173.34 2hc5 n HIS 33 N 0.49 0.00 -2.58 1.54 8.25 -1.26 -4.77 115.22 116.89 2hc5 n HIS 33 Ca -0.18 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.86 2hc5 n HIS 33 Cb 0.60 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.69 2hc5 n HIS 33 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2hc5 s GLN 34 N 0.00 3.76 -0.22 -0.41 -0.21 -1.26 -4.90 119.66 116.43 2hc5 s GLN 34 Ca 0.00 -1.51 0.01 0.00 0.02 0.00 0.00 55.36 53.88 2hc5 s GLN 34 Cb 0.00 -5.43 0.05 0.00 1.00 0.00 0.00 33.01 28.63 2hc5 s GLN 34 CO 0.00 -2.22 -0.11 0.08 -2.12 0.00 0.00 175.29 170.91 2hc5 s VAL 35 N 4.61 1.83 0.57 1.09 1.01 -1.26 -5.06 120.40 123.19 2hc5 s VAL 35 Ca 0.49 -1.19 0.08 0.00 0.00 0.00 0.00 61.98 61.37 2hc5 s VAL 35 Cb 0.02 -1.89 0.07 0.00 0.00 0.00 0.00 36.38 34.58 2hc5 s VAL 35 CO -0.02 0.14 0.67 -0.55 0.00 0.00 0.00 175.10 175.34 2hc5 s SER 36 N 1.30 4.92 0.38 3.32 0.15 -1.26 -4.95 113.70 117.56 2hc5 s SER 36 Ca -0.03 -1.01 0.11 0.00 0.70 0.00 0.00 55.95 55.72 2hc5 s SER 36 Cb -0.17 0.39 0.89 0.00 -1.71 0.00 0.00 66.02 65.42 2hc5 s SER 36 CO -0.08 -1.29 1.90 0.22 1.20 0.00 0.00 173.24 175.20 2hc5 h TYR 37 N 0.35 0.69 -0.13 3.44 3.20 -2.00 -0.86 116.97 121.66 2hc5 h TYR 37 Ca -0.32 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.57 2hc5 h TYR 37 Cb 1.29 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 2hc5 h TYR 37 CO 0.63 0.28 0.07 1.79 -1.64 0.00 0.00 178.16 179.29 2hc5 h THR 38 N 0.60 1.11 -0.19 1.81 1.35 -2.00 -3.07 112.91 112.52 2hc5 h THR 38 Ca 0.39 -0.30 -0.03 0.00 -0.55 0.00 0.00 66.41 65.92 2hc5 h THR 38 Cb 0.67 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 2hc5 h THR 38 CO -0.15 0.10 -0.03 0.78 -0.25 0.00 0.00 175.52 175.96 2hc5 h ASN 39 N 0.10 0.26 0.40 5.36 4.21 -1.54 0.51 115.58 124.88 2hc5 h ASN 39 Ca 0.05 -0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.51 2hc5 h ASN 39 Cb 0.10 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.22 2hc5 h ASN 39 CO -0.01 0.34 -0.27 -0.07 -1.29 0.00 0.00 177.43 176.12 2hc5 h LEU 40 N 0.27 -0.70 -0.78 1.61 -0.00 -1.37 0.73 115.31 115.08 2hc5 h LEU 40 Ca 0.06 0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.99 2hc5 h LEU 40 Cb 0.24 0.22 -0.04 0.00 -0.00 0.00 0.00 40.66 41.08 2hc5 h LEU 40 CO 0.01 -0.42 0.47 0.00 -0.00 0.00 0.00 178.44 178.49 2hc5 h ALA 41 N -0.12 1.00 0.50 1.53 0.00 -1.23 0.14 119.26 121.07 2hc5 h ALA 41 Ca -0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2hc5 h ALA 41 Cb 0.56 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2hc5 h ALA 41 CO 0.02 0.47 -0.30 0.93 0.00 0.00 0.00 179.25 180.37 2hc5 h GLU 42 N 1.07 -0.73 0.03 0.00 4.39 -0.79 -2.98 114.58 115.58 2hc5 h GLU 42 Ca 0.28 0.05 -0.22 0.00 0.34 0.00 0.00 59.36 59.81 2hc5 h GLU 42 Cb -0.03 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 2hc5 h GLU 42 CO -0.05 -0.48 -1.02 0.52 -1.16 0.00 0.00 179.01 176.81 2hc5 h MET 43 N -0.75 0.09 -0.57 2.33 2.86 -0.69 -3.14 114.93 115.05 2hc5 h MET 43 Ca -0.06 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 2hc5 h MET 43 Cb 0.61 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 2hc5 h MET 43 CO 0.06 1.02 0.27 0.28 1.06 0.00 0.00 176.91 179.61 2hc5 h VAL 44 N 0.03 1.19 -0.62 -2.22 2.07 -0.79 0.30 116.25 116.21 2hc5 h VAL 44 Ca -0.04 -0.53 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 2hc5 h VAL 44 Cb 1.75 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 2hc5 h VAL 44 CO 0.14 0.22 0.11 1.23 0.02 0.00 0.00 177.57 179.29 2hc5 h GLY 45 N 0.90 1.07 1.89 2.17 0.00 -1.48 -1.48 103.07 106.14 2hc5 h GLY 45 Ca 0.20 -0.68 -0.16 0.00 0.00 0.00 0.00 47.33 46.69 2hc5 h GLY 45 CO -0.03 0.63 -0.75 -2.09 0.00 0.00 0.00 176.54 174.31 2hc5 h GLU 46 N 0.94 0.10 -0.71 4.80 4.81 -1.30 -2.92 114.58 120.30 2hc5 h GLU 46 Ca 0.19 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 2hc5 h GLU 46 Cb 0.40 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 2hc5 h GLU 46 CO 0.01 0.80 0.23 0.52 -0.73 0.00 0.00 179.01 179.84 2hc5 h MET 47 N 0.06 1.10 -0.32 1.92 2.86 -0.11 -2.32 114.93 118.13 2hc5 h MET 47 Ca -0.02 -0.23 -0.04 0.00 -2.06 0.00 0.00 59.70 57.35 2hc5 h MET 47 Cb 1.32 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.80 2hc5 h MET 47 CO 0.11 0.94 0.03 -0.91 1.06 0.00 0.00 176.91 178.14 2hc5 h ASN 48 N 1.05 0.45 -0.19 1.22 2.35 -1.18 -1.74 115.58 117.54 2hc5 h ASN 48 Ca 0.23 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2hc5 h ASN 48 Cb 0.29 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2hc5 h ASN 48 CO -0.01 0.49 0.00 0.29 -1.65 0.00 0.00 177.43 176.55 2hc5 n LYS 49 N -4.32 1.52 0.06 0.81 5.02 -0.91 -2.82 118.16 117.53 2hc5 n LYS 49 Ca 0.01 -0.80 0.04 0.00 -2.02 0.00 0.00 58.31 55.54 2hc5 n LYS 49 Cb 0.21 -1.25 -0.05 0.00 -0.02 0.00 0.00 35.03 33.93 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 1.41 0.00 -2.22 -0.35 3.38 -0.86 -3.37 115.31 113.31 2hc5 h LEU 50 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hc5 h LEU 50 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2hc5 h LEU 50 CO 0.00 0.38 0.00 0.18 0.09 0.00 0.00 178.44 179.09 2hc5 n LEU 51 N -2.85 2.67 -0.01 1.67 4.77 -1.13 -4.72 117.00 117.40 2hc5 n LEU 51 Ca -0.06 -1.52 -0.10 0.00 -0.03 0.00 0.00 56.01 54.31 2hc5 n LEU 51 Cb 0.74 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 2hc5 n LEU 51 CO 0.42 0.60 0.67 -0.33 -1.33 0.00 0.00 177.39 177.41 2hc5 h GLU 52 N 2.62 -0.34 -0.76 3.23 4.39 -1.70 -2.17 114.58 119.84 2hc5 h GLU 52 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2hc5 h GLU 52 Cb 0.69 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 2hc5 h GLU 52 CO 0.00 -0.22 0.00 -0.35 -1.16 0.00 0.00 179.01 177.28 2hc5 n PRO 53 N -5.40 2.99 -1.03 2.33 -0.04 -1.26 -4.91 135.00 127.68 2hc5 n PRO 53 Ca -0.03 -1.64 0.00 0.00 -0.04 0.00 0.00 63.50 61.80 2hc5 n PRO 53 Cb 0.31 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 2hc5 n PRO 53 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2hc5 n SER 54 N 0.34 0.42 -0.59 3.54 3.41 -0.82 -3.90 113.62 116.03 2hc5 n SER 54 Ca 0.14 -0.85 0.09 0.00 -0.26 0.00 0.00 58.87 57.99 2hc5 n SER 54 Cb 0.73 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.72 2hc5 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hc5 n GLN 55 N -0.67 1.59 -3.02 4.33 1.13 -1.24 -4.91 117.38 114.59 2hc5 n GLN 55 Ca 0.00 -1.27 -0.42 0.00 -1.94 0.00 0.00 57.00 53.37 2hc5 n GLN 55 Cb 0.00 -1.35 -0.06 0.00 0.11 0.00 0.00 30.24 28.95 2hc5 n GLN 55 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2hc5 s VAL 56 N -1.79 4.80 -1.00 5.09 1.01 -1.26 -4.58 120.40 122.67 2hc5 s VAL 56 Ca 0.19 0.76 -0.05 0.00 0.00 0.00 0.00 61.98 62.88 2hc5 s VAL 56 Cb 0.15 -4.15 0.25 0.00 0.00 0.00 0.00 36.38 32.63 2hc5 s VAL 56 CO 0.33 -0.38 0.99 1.41 0.00 0.00 0.00 175.10 177.45 2hc5 n HIS 57 N 6.25 4.51 -4.41 5.22 8.25 -1.26 -4.89 115.22 128.89 2hc5 n HIS 57 Ca 0.01 -3.91 -0.34 0.00 -0.26 0.00 0.00 57.72 53.22 2hc5 n HIS 57 Cb 0.48 -1.38 -0.14 0.00 1.12 0.00 0.00 29.99 30.08 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 -1.51 2.86 -0.14 2.41 1.43 -1.26 -1.74 118.68 120.74 2hc5 s LEU 58 Ca 0.30 -0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 53.03 2hc5 s LEU 58 Cb -0.07 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 2hc5 s LEU 58 CO -0.08 0.10 0.03 -0.54 0.23 0.00 0.00 176.35 176.09 2hc5 s LYS 59 N 0.74 3.56 -0.13 1.70 1.02 0.43 -4.95 119.74 122.10 2hc5 s LYS 59 Ca -0.04 -0.38 -0.01 0.00 0.02 0.00 0.00 55.97 55.56 2hc5 s LYS 59 Cb -0.15 -3.02 -0.02 0.00 -0.52 0.00 0.00 37.83 34.12 2hc5 s LYS 59 CO 0.02 0.45 -0.10 -0.06 -0.92 0.00 0.00 175.35 174.73 2hc5 s PHE 60 N -0.15 2.87 0.20 3.18 0.08 -1.26 -0.34 117.98 122.55 2hc5 s PHE 60 Ca 0.06 -0.50 0.11 0.00 0.12 0.00 0.00 56.93 56.71 2hc5 s PHE 60 Cb -0.12 -1.86 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 2hc5 s PHE 60 CO 0.02 -0.12 -0.18 -1.21 -0.10 0.00 0.00 175.22 173.62 2hc5 s GLU 61 N 0.25 1.73 -0.53 0.44 2.02 0.23 -4.90 118.70 117.93 2hc5 s GLU 61 Ca -0.07 -1.46 -0.06 0.00 0.02 0.00 0.00 54.97 53.39 2hc5 s GLU 61 Cb -0.15 -1.95 0.14 0.00 0.10 0.00 0.00 34.13 32.27 2hc5 s GLU 61 CO 0.05 0.40 0.38 -1.17 0.02 0.00 0.00 175.26 174.94 2hc5 s LEU 62 N -2.82 5.55 -0.21 1.80 2.96 -1.26 0.78 118.68 125.48 2hc5 s LEU 62 Ca 0.23 -2.30 -0.08 0.00 -0.22 0.00 0.00 54.13 51.77 2hc5 s LEU 62 Cb -0.08 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 2hc5 s LEU 62 CO 0.12 -0.55 0.08 -1.00 -1.32 0.00 0.00 176.35 173.68 2hc5 s HIS 63 N 0.77 3.21 0.26 5.38 3.76 -0.69 -4.91 115.29 123.07 2hc5 s HIS 63 Ca 0.11 -0.02 -0.05 0.00 -0.15 0.00 0.00 55.06 54.94 2hc5 s HIS 63 Cb -0.22 -2.14 -0.05 0.00 1.11 0.00 0.00 32.58 31.28 2hc5 s HIS 63 CO -0.03 0.02 0.52 0.16 -0.85 0.00 0.00 174.74 174.56 2hc5 s ASP 64 N 0.76 6.46 0.00 1.40 -4.77 -1.26 -1.70 116.67 117.57 2hc5 s ASP 64 Ca 0.04 0.70 0.00 0.00 -3.30 0.00 0.00 52.55 49.99 2hc5 s ASP 64 Cb -0.13 -2.14 0.00 0.00 -1.09 0.00 0.00 42.92 39.56 2hc5 s ASP 64 CO 0.02 -0.15 0.00 1.17 0.70 0.00 0.00 175.17 176.91 2hc5 n LYS 65 N -0.74 0.00 -0.00 2.11 4.81 0.13 -4.95 118.16 119.53 2hc5 n LYS 65 Ca -0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.42 2hc5 n LYS 65 Cb 0.54 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.58 2hc5 n LYS 65 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2hc5 n LEU 66 N -0.48 0.29 -0.00 3.14 7.94 -1.26 -4.85 117.00 121.78 2hc5 n LEU 66 Ca 0.00 0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 2hc5 n LEU 66 Cb 0.00 -0.25 -0.00 0.00 0.53 0.00 0.00 43.42 43.70 2hc5 n LEU 66 CO 0.00 -0.52 0.12 -3.20 -1.11 0.00 0.00 177.39 172.68 2hc5 n ASN 67 N -2.78 0.48 -4.93 1.96 5.15 -1.26 -5.05 115.26 108.83 2hc5 n ASN 67 Ca -0.01 -0.74 -0.25 0.00 -0.60 0.00 0.00 54.58 52.98 2hc5 n ASN 67 Cb 0.04 0.52 -0.02 0.00 -0.53 0.00 0.00 39.78 39.80 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 -0.53 3.51 -0.22 1.20 8.01 -1.26 -5.11 118.70 124.30 2hc5 s GLU 68 Ca 0.00 -0.29 -0.12 0.00 0.01 0.00 0.00 54.97 54.56 2hc5 s GLU 68 Cb 0.00 -2.69 0.07 0.00 -4.31 0.00 0.00 34.13 27.20 2hc5 s GLU 68 CO 0.00 0.20 0.53 1.52 0.01 0.00 0.00 175.26 177.53 2hc5 s TYR 69 N -2.21 -0.80 0.28 1.61 1.13 -1.26 -0.69 117.35 115.41 2hc5 s TYR 69 Ca 0.40 1.66 -0.04 0.00 -1.41 0.00 0.00 57.07 57.68 2hc5 s TYR 69 Cb -0.10 0.43 -0.01 0.00 -1.10 0.00 0.00 41.96 41.17 2hc5 s TYR 69 CO 0.34 -0.42 0.36 1.52 -2.51 0.00 0.00 175.55 174.84 2hc5 s TYR 70 N 1.48 0.99 -0.14 -3.49 -0.85 -0.69 -4.33 117.35 110.32 2hc5 s TYR 70 Ca -0.10 -1.21 -0.22 0.00 -0.52 0.00 0.00 57.07 55.02 2hc5 s TYR 70 Cb -0.07 -0.21 -0.03 0.00 0.38 0.00 0.00 41.96 42.03 2hc5 s TYR 70 CO -0.16 -0.94 0.69 0.08 -1.52 0.00 0.00 175.55 173.70 2hc5 s VAL 71 N -3.63 5.01 -0.52 -3.49 1.01 0.92 -1.71 120.40 117.99 2hc5 s VAL 71 Ca 0.32 1.35 -0.17 0.00 0.00 0.00 0.00 61.98 63.48 2hc5 s VAL 71 Cb 0.02 -4.01 0.09 0.00 0.00 0.00 0.00 36.38 32.48 2hc5 s VAL 71 CO 0.16 0.16 0.52 -0.75 0.00 0.00 0.00 175.10 175.19 2hc5 s LYS 72 N 1.48 3.02 -0.38 2.72 2.47 0.23 -1.36 119.74 127.93 2hc5 s LYS 72 Ca 0.34 -1.35 -0.22 0.00 -1.56 0.00 0.00 55.97 53.17 2hc5 s LYS 72 Cb -0.17 -4.19 0.01 0.00 -1.46 0.00 0.00 37.83 32.02 2hc5 s LYS 72 CO 0.13 -1.23 0.74 0.08 0.16 0.00 0.00 175.35 175.23 2hc5 s VAL 73 N 1.99 4.76 -0.14 4.02 1.01 -0.60 -0.60 120.40 130.84 2hc5 s VAL 73 Ca 0.07 0.69 0.02 0.00 0.00 0.00 0.00 61.98 62.77 2hc5 s VAL 73 Cb -0.25 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 31.94 2hc5 s VAL 73 CO 0.07 -0.46 -0.21 -0.63 0.00 0.00 0.00 175.10 173.87 2hc5 s ILE 74 N 3.03 2.21 -0.07 2.22 1.01 0.54 -1.34 121.20 128.80 2hc5 s ILE 74 Ca 0.29 -0.93 -0.25 0.00 0.00 0.00 0.00 60.65 59.75 2hc5 s ILE 74 Cb -0.13 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 2hc5 s ILE 74 CO 0.18 0.54 0.79 -0.70 0.00 0.00 0.00 174.94 175.75 2hc5 s GLU 75 N 0.78 4.44 0.43 2.79 2.12 -0.92 -0.43 118.70 127.91 2hc5 s GLU 75 Ca -0.08 1.04 0.10 0.00 0.36 0.00 0.00 54.97 56.39 2hc5 s GLU 75 Cb -0.16 -3.47 0.95 0.00 0.26 0.00 0.00 34.13 31.71 2hc5 s GLU 75 CO -0.01 -0.04 2.05 0.22 -0.54 0.00 0.00 175.26 176.95 2hc5 h ASP 76 N 6.88 0.30 0.12 -1.70 3.58 -1.69 0.20 116.42 124.11 2hc5 h ASP 76 Ca -0.39 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.04 2hc5 h ASP 76 Cb 1.19 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.17 2hc5 h ASP 76 CO 0.77 0.26 -0.06 0.28 -2.88 0.00 0.00 179.24 177.61 2hc5 h SER 77 N 0.34 -0.14 1.07 2.28 0.02 -1.93 -3.32 113.55 111.88 2hc5 h SER 77 Ca 0.09 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2hc5 h SER 77 Cb 0.04 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2hc5 h SER 77 CO -0.01 0.41 -0.68 0.71 -1.14 0.00 0.00 176.83 176.12 2hc5 h THR 78 N -0.76 0.00 -1.61 -2.27 1.35 -1.96 -3.47 112.91 104.19 2hc5 h THR 78 Ca -0.02 -0.76 -0.39 0.00 -0.55 0.00 0.00 66.41 64.70 2hc5 h THR 78 Cb 0.55 1.37 -0.10 0.00 -1.73 0.00 0.00 68.15 68.23 2hc5 h THR 78 CO 0.03 0.00 -0.41 0.59 -0.25 0.00 0.00 175.52 175.48 2hc5 n ASN 79 N -2.46 -5.36 -4.64 5.36 3.02 0.70 -4.98 115.26 106.89 2hc5 n ASN 79 Ca 0.02 0.28 -0.26 0.00 -0.03 0.00 0.00 54.58 54.59 2hc5 n ASN 79 Cb 0.49 -4.49 -0.10 0.00 -0.61 0.00 0.00 39.78 35.08 2hc5 n ASN 79 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2hc5 s GLU 80 N -4.13 2.03 -0.47 3.52 -1.05 -1.25 -4.91 118.70 112.44 2hc5 s GLU 80 Ca 0.00 -1.95 -0.24 0.00 -0.15 0.00 0.00 54.97 52.63 2hc5 s GLU 80 Cb 0.00 -1.79 0.03 0.00 -0.44 0.00 0.00 34.13 31.93 2hc5 s GLU 80 CO 0.00 -0.01 0.84 0.08 0.95 0.00 0.00 175.26 177.12 2hc5 s VAL 81 N -2.63 4.57 -1.77 1.83 1.01 -1.26 -2.16 120.40 119.98 2hc5 s VAL 81 Ca 0.36 0.47 0.26 0.00 0.00 0.00 0.00 61.98 63.07 2hc5 s VAL 81 Cb 0.06 -4.38 0.24 0.00 0.00 0.00 0.00 36.38 32.29 2hc5 s VAL 81 CO 0.19 -0.81 1.52 2.30 0.00 0.00 0.00 175.10 178.30 2hc5 n ILE 82 N 6.22 0.00 -3.64 2.22 -5.35 -0.45 -4.87 119.36 113.48 2hc5 n ILE 82 Ca 0.03 -0.14 -0.05 0.00 -0.27 0.00 0.00 62.75 62.32 2hc5 n ILE 82 Cb 0.48 0.48 -0.07 0.00 -1.74 0.00 0.00 39.64 38.79 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 -2.51 0.37 -0.30 6.28 6.06 -1.23 -5.05 118.95 122.57 2hc5 s ARG 83 Ca 0.24 0.53 -0.04 0.00 -2.50 0.00 0.00 55.73 53.96 2hc5 s ARG 83 Cb 0.19 0.14 0.03 0.00 0.06 0.00 0.00 34.95 35.37 2hc5 s ARG 83 CO 0.53 -0.06 0.03 -1.21 -2.50 0.00 0.00 175.30 172.09 2hc5 s GLU 84 N 0.70 2.69 -0.30 5.12 2.02 -1.26 -1.56 118.70 126.11 2hc5 s GLU 84 Ca -0.02 -1.11 -0.07 0.00 0.02 0.00 0.00 54.97 53.79 2hc5 s GLU 84 Cb -0.04 -3.26 0.01 0.00 0.10 0.00 0.00 34.13 30.93 2hc5 s GLU 84 CO -0.11 -0.56 0.10 0.42 0.02 0.00 0.00 175.26 175.13 2hc5 s ILE 85 N 1.36 4.06 0.64 -1.63 1.01 -0.46 -4.95 121.20 121.22 2hc5 s ILE 85 Ca -0.02 -0.70 -0.15 0.00 0.00 0.00 0.00 60.65 59.78 2hc5 s ILE 85 Cb -0.19 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 2hc5 s ILE 85 CO 0.00 0.04 1.08 -2.16 0.00 0.00 0.00 174.94 173.91 2hc5 s PRO 86 N 1.51 3.00 0.34 2.79 0.04 -1.26 -0.06 135.00 141.36 2hc5 s PRO 86 Ca 0.02 1.28 0.05 0.00 0.04 0.00 0.00 61.00 62.39 2hc5 s PRO 86 Cb -0.17 -1.98 0.69 0.00 0.04 0.00 0.00 34.50 33.07 2hc5 s PRO 86 CO 0.03 -1.08 1.91 -1.35 0.04 0.00 0.00 177.00 176.56 2hc5 h PRO 87 N 0.11 0.80 0.00 0.56 0.11 -1.97 0.19 132.00 131.80 2hc5 h PRO 87 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2hc5 h PRO 87 Cb 1.23 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2hc5 h PRO 87 CO 0.55 0.53 0.00 0.36 -0.21 0.00 0.00 178.00 179.24 2hc5 n LYS 88 N -4.51 0.85 0.00 1.05 2.85 -1.26 -1.97 118.16 115.16 2hc5 n LYS 88 Ca 0.14 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 2hc5 n LYS 88 Cb 0.30 -1.31 0.00 0.00 -0.65 0.00 0.00 35.03 33.36 2hc5 n LYS 88 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2hc5 n ARG 89 N -0.81 -0.55 0.18 -1.58 3.00 0.47 -4.74 116.66 112.63 2hc5 n ARG 89 Ca 0.13 -0.31 0.03 0.00 -0.00 0.00 0.00 57.85 57.69 2hc5 n ARG 89 Cb 0.06 -0.81 0.31 0.00 0.00 0.00 0.00 32.46 32.02 2hc5 n ARG 89 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.63 179.98 2hc5 h TRP 90 N 0.00 0.00 -0.42 -0.14 -0.00 -0.35 -2.70 115.95 112.34 2hc5 h TRP 90 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.89 58.80 2hc5 h TRP 90 Cb 0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.32 2hc5 h TRP 90 CO 0.00 0.44 -0.11 -0.07 -0.00 0.00 0.00 178.44 178.69 2hc5 h LEU 91 N 0.00 0.73 -0.10 0.65 3.38 -1.85 0.87 115.31 118.99 2hc5 h LEU 91 Ca -0.00 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.78 2hc5 h LEU 91 Cb 0.85 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 2hc5 h LEU 91 CO 0.06 0.87 -0.06 0.44 0.09 0.00 0.00 178.44 179.84 2hc5 h ASP 92 N 0.67 -0.19 -0.21 -0.43 5.19 -1.82 0.56 116.42 120.20 2hc5 h ASP 92 Ca 0.12 0.05 -0.21 0.00 -0.62 0.00 0.00 57.03 56.36 2hc5 h ASP 92 Cb 0.58 0.11 0.01 0.00 0.18 0.00 0.00 39.33 40.20 2hc5 h ASP 92 CO 0.04 -0.08 -0.68 0.15 -3.12 0.00 0.00 179.24 175.54 2hc5 h PHE 93 N -0.06 1.09 -0.36 4.55 3.57 -1.51 -2.64 116.94 121.57 2hc5 h PHE 93 Ca 0.06 -0.44 -0.01 0.00 3.53 0.00 0.00 57.97 61.11 2hc5 h PHE 93 Cb 0.15 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2hc5 h PHE 93 CO -0.18 1.28 0.19 -0.92 -2.23 0.00 0.00 178.31 176.44 2hc5 h TYR 94 N 0.60 0.51 -0.64 0.41 3.20 -0.65 -0.79 116.97 119.61 2hc5 h TYR 94 Ca -0.02 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.76 2hc5 h TYR 94 Cb 1.31 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.39 2hc5 h TYR 94 CO 0.08 0.42 0.14 0.00 -1.64 0.00 0.00 178.16 177.17 2hc5 h ALA 95 N 1.04 1.04 -0.14 1.82 0.00 -0.91 -0.42 119.26 121.70 2hc5 h ALA 95 Ca 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2hc5 h ALA 95 Cb 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2hc5 h ALA 95 CO -0.02 0.63 0.05 0.00 0.00 0.00 0.00 179.25 179.91 2hc5 h ALA 96 N 1.18 0.18 -0.17 0.00 0.00 -1.18 -2.86 119.26 116.40 2hc5 h ALA 96 Ca 0.20 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2hc5 h ALA 96 Cb 0.36 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2hc5 h ALA 96 CO 0.00 -0.22 -0.01 0.52 0.00 0.00 0.00 179.25 179.55 2hc5 h MET 97 N 0.05 0.30 -0.26 0.00 2.07 -0.96 -2.51 114.93 113.62 2hc5 h MET 97 Ca 0.04 -0.10 -0.04 0.00 -2.07 0.00 0.00 59.70 57.54 2hc5 h MET 97 Cb 0.20 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 29.89 2hc5 h MET 97 CO -0.00 0.53 0.00 1.79 1.07 0.00 0.00 176.91 180.30 2hc5 h THR 98 N 0.04 1.16 0.00 2.22 1.35 -1.10 0.65 112.91 117.23 2hc5 h THR 98 Ca 0.05 -0.63 -0.00 0.00 -0.55 0.00 0.00 66.41 65.27 2hc5 h THR 98 Cb 0.40 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 2hc5 h THR 98 CO 0.01 0.21 -0.00 -0.33 -0.25 0.00 0.00 175.52 175.16 2hc5 h GLU 99 N 0.38 -0.00 -0.03 4.72 5.08 -1.51 -2.07 114.58 121.15 2hc5 h GLU 99 Ca 0.09 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2hc5 h GLU 99 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2hc5 h GLU 99 CO 0.01 0.75 -0.20 0.35 -1.00 0.00 0.00 179.01 178.91 2hc5 h PHE 100 N -0.75 0.26 0.07 4.33 3.57 -1.16 -3.18 116.94 120.08 2hc5 h PHE 100 Ca -0.00 -0.12 -0.24 0.00 3.53 0.00 0.00 57.97 61.14 2hc5 h PHE 100 Cb 0.75 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 2hc5 h PHE 100 CO 0.19 0.85 -1.12 -0.07 -2.23 0.00 0.00 178.31 175.93 2hc5 h LEU 101 N -0.41 0.27 -0.94 0.59 -0.00 0.13 -3.27 115.31 111.68 2hc5 h LEU 101 Ca -0.02 -0.28 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2hc5 h LEU 101 Cb 0.88 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.46 2hc5 h LEU 101 CO 0.04 1.20 0.00 1.23 -0.00 0.00 0.00 178.44 180.91 2hc5 h GLY 102 N 2.09 0.00 0.03 0.83 0.00 -1.35 -0.30 103.07 104.37 2hc5 h GLY 102 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2hc5 h GLY 102 CO 0.17 0.00 -0.07 1.47 0.00 0.00 0.00 176.54 178.11 2hc5 n LEU 103 N -2.43 1.09 -0.10 3.11 -0.00 -1.20 -3.73 117.00 113.74 2hc5 n LEU 103 Ca 0.02 -0.32 -0.24 0.00 -0.00 0.00 0.00 56.01 55.46 2hc5 n LEU 103 Cb 0.23 -0.05 -0.11 0.00 -0.00 0.00 0.00 43.42 43.49 2hc5 n LEU 103 CO 0.21 0.19 -0.95 0.49 -0.00 0.00 0.00 177.39 177.33 2hc5 n PHE 104 N -0.29 0.62 -2.60 1.47 3.72 -0.15 -4.79 117.46 115.43 2hc5 n PHE 104 Ca 0.17 0.23 -0.41 0.00 -0.05 0.00 0.00 57.45 57.39 2hc5 n PHE 104 Cb 0.32 -1.07 -0.03 0.00 -0.94 0.00 0.00 39.48 37.76 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 -2.45 3.84 -1.17 -4.37 -7.23 -1.01 -4.94 120.40 103.07 2hc5 s VAL 105 Ca -0.32 0.18 -0.21 0.00 -1.81 0.00 0.00 61.98 59.82 2hc5 s VAL 105 Cb 0.09 -4.89 0.01 0.00 0.56 0.00 0.00 36.38 32.15 2hc5 s VAL 105 CO 0.58 -1.80 1.77 -0.62 -0.31 0.00 0.00 175.10 174.72 2hc5 s ASP 106 N 3.81 6.08 0.00 4.85 2.15 -1.26 -4.45 116.67 127.85 2hc5 s ASP 106 Ca 0.34 -1.85 0.00 0.00 0.43 0.00 0.00 52.55 51.47 2hc5 s ASP 106 Cb -0.09 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 2hc5 s ASP 106 CO 0.12 -1.95 0.00 1.21 -0.17 0.00 0.00 175.17 174.38 2hc5 n GLU 107 N 8.51 0.00 0.30 4.34 4.07 -1.26 -0.05 120.64 136.55 2hc5 n GLU 107 Ca 0.44 0.00 0.19 0.00 -0.06 0.00 0.00 57.16 57.73 2hc5 n GLU 107 Cb 0.47 0.00 0.91 0.00 -0.06 0.00 0.00 31.44 32.76 2hc5 n GLU 107 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2hc5 h LYS 108 N 0.00 0.00 -0.00 5.31 1.79 -1.96 0.45 116.57 122.15 2hc5 h LYS 108 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2hc5 h LYS 108 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2hc5 h LYS 108 CO 0.00 0.01 -0.10 1.63 -1.08 0.00 0.00 179.45 179.91 2hc5 n LYS 109 N -3.13 0.82 -0.12 3.15 4.01 0.93 -3.66 118.16 120.16 2hc5 n LYS 109 Ca -0.01 -0.30 -0.12 0.00 -0.51 0.00 0.00 58.31 57.36 2hc5 n LYS 109 Cb 0.21 -1.49 -0.02 0.00 -0.51 0.00 0.00 35.03 33.21 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 0.74 0.88 0.00 -0.35 3.38 -1.07 -3.42 115.31 115.47 2hc5 h LEU 110 Ca 0.00 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2hc5 h LEU 110 Cb 0.35 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2hc5 h LEU 110 CO 0.00 1.12 0.00 1.21 0.09 0.00 0.00 178.44 180.86 2hc5 n GLU 111 N -4.20 0.00 -2.65 1.13 2.13 -1.24 -4.98 120.64 110.83 2hc5 n GLU 111 Ca -0.02 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.39 2hc5 n GLU 111 Cb 0.47 -3.06 -0.05 0.00 0.27 0.00 0.00 31.44 29.07 2hc5 n GLU 111 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2hc5 s HIS 112 N -2.51 3.78 0.06 4.31 3.76 -1.26 -4.98 115.29 118.45 2hc5 s HIS 112 Ca 0.00 1.77 -0.25 0.00 -0.15 0.00 0.00 55.06 56.43 2hc5 s HIS 112 Cb 0.00 -3.12 -0.12 0.00 1.11 0.00 0.00 32.58 30.45 2hc5 s HIS 112 CO 0.00 -0.01 1.38 0.45 -0.85 0.00 0.00 174.74 175.70 2hc5 h HIS 113 N 4.88 -0.95 -2.69 1.40 3.86 -1.98 -3.39 115.15 116.28 2hc5 h HIS 113 Ca -0.44 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.22 2hc5 h HIS 113 Cb 1.21 0.36 -0.40 0.00 1.06 0.00 0.00 27.41 29.65 2hc5 h HIS 113 CO 0.63 -0.47 -0.81 -1.01 0.86 0.00 0.00 177.93 177.12 2hc5 s HIS 114 N -4.94 0.53 -0.78 2.45 3.76 -1.26 -5.06 115.29 109.99 2hc5 s HIS 114 Ca -0.12 -1.25 -0.01 0.00 -0.15 0.00 0.00 55.06 53.52 2hc5 s HIS 114 Cb 0.03 -0.91 0.19 0.00 1.11 0.00 0.00 32.58 33.00 2hc5 s HIS 114 CO 0.41 -0.83 0.63 -1.58 -0.85 0.00 0.00 174.74 172.52 2hc5 s HIS 115 N 1.59 3.69 -0.44 1.40 5.04 -1.26 -4.87 115.29 120.43 2hc5 s HIS 115 Ca 0.13 -2.99 0.04 0.00 -1.54 0.00 0.00 55.06 50.71 2hc5 s HIS 115 Cb -0.19 -3.15 0.19 0.00 0.04 0.00 0.00 32.58 29.47 2hc5 s HIS 115 CO -0.18 -0.74 0.76 -1.58 -2.34 0.00 0.00 174.74 170.66 2hc5 s HIS 116 N -0.97 -1.41 0.00 3.88 2.46 -1.26 -5.12 115.29 112.87 2hc5 s HIS 116 Ca 0.24 -0.18 0.00 0.00 0.47 0.00 0.00 55.06 55.59 2hc5 s HIS 116 Cb -0.11 0.27 0.00 0.00 -0.13 0.00 0.00 32.58 32.61 2hc5 s HIS 116 CO -0.10 -1.04 0.02 1.58 -2.47 0.00 0.00 174.74 172.73