#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hii s GLN 2 N 0.00 1.43 -0.27 0.54 -2.07 -1.26 -5.11 119.66 112.91 1hii s GLN 2 Ca 0.00 -1.54 -0.05 0.00 -1.82 0.00 0.00 55.36 51.95 1hii s GLN 2 Cb 0.00 -1.52 0.01 0.00 -1.09 0.00 0.00 33.01 30.41 1hii s GLN 2 CO 0.00 0.30 0.02 -0.06 -1.32 0.00 0.00 175.29 174.24 1hii s PHE 3 N -2.17 3.11 -1.32 9.60 0.40 -1.26 -5.00 117.98 121.34 1hii s PHE 3 Ca 0.21 -1.17 0.29 0.00 -0.60 0.00 0.00 56.93 55.66 1hii s PHE 3 Cb -0.05 -2.18 1.36 0.00 0.51 0.00 0.00 43.02 42.66 1hii s PHE 3 CO 0.09 -0.62 1.97 -1.13 0.70 0.00 0.00 175.22 176.23 1hii n SER 4 N 4.79 0.08 0.00 1.36 3.41 -1.26 -4.94 113.62 117.06 1hii n SER 4 Ca -0.15 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1hii n SER 4 Cb 0.48 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1hii n SER 4 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1hii n LEU 5 N -1.31 0.47 0.24 1.04 4.77 -1.26 -4.85 117.00 116.11 1hii n LEU 5 Ca 0.12 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.19 1hii n LEU 5 Cb 0.28 -0.99 0.62 0.00 -2.33 0.00 0.00 43.42 41.00 1hii n LEU 5 CO 0.25 -0.33 0.93 -0.50 -1.33 0.00 0.00 177.39 176.41 1hii h TRP 6 N 0.00 0.00 -2.40 -1.77 4.06 -2.04 -3.42 115.95 110.38 1hii h TRP 6 Ca 0.00 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.39 1hii h TRP 6 Cb 0.18 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.20 1hii h TRP 6 CO 0.11 0.16 -0.74 0.15 -3.56 0.00 0.00 178.44 174.56 1hii s LYS 7 N -4.39 1.59 0.22 0.49 1.02 -1.26 -5.10 119.74 112.32 1hii s LYS 7 Ca -0.03 -1.74 -0.32 0.00 0.02 0.00 0.00 55.97 53.90 1hii s LYS 7 Cb 0.14 -1.54 -0.12 0.00 -0.52 0.00 0.00 37.83 35.79 1hii s LYS 7 CO 0.64 0.25 1.62 0.54 -0.92 0.00 0.00 175.35 177.48 1hii n ARG 8 N -0.57 2.53 -2.31 1.68 1.74 -1.26 -4.84 116.66 113.63 1hii n ARG 8 Ca -0.06 0.91 -0.35 0.00 -0.77 0.00 0.00 57.85 57.58 1hii n ARG 8 Cb 0.61 -2.70 -0.03 0.00 -1.02 0.00 0.00 32.46 29.32 1hii n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1hii s PRO 9 N 0.47 3.18 -0.10 5.56 0.04 -1.26 -4.94 135.00 137.96 1hii s PRO 9 Ca 0.72 -1.35 -0.02 0.00 0.04 0.00 0.00 61.00 60.38 1hii s PRO 9 Cb -0.56 -5.34 -0.03 0.00 0.04 0.00 0.00 34.50 28.60 1hii s PRO 9 CO 0.40 -3.06 0.01 0.08 0.04 0.00 0.00 177.00 174.47 1hii s VAL 10 N 7.67 4.38 0.17 -0.36 1.01 -1.26 -0.73 120.40 131.27 1hii s VAL 10 Ca 0.60 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.36 1hii s VAL 10 Cb 0.00 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1hii s VAL 10 CO 0.07 0.59 0.09 0.68 0.00 0.00 0.00 175.10 176.53 1hii s VAL 11 N -0.78 0.12 -0.30 2.92 -7.23 -0.73 -4.97 120.40 109.42 1hii s VAL 11 Ca 0.12 -1.96 -0.13 0.00 -1.81 0.00 0.00 61.98 58.20 1hii s VAL 11 Cb -0.12 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 1hii s VAL 11 CO 0.02 -0.24 0.28 -0.89 -0.31 0.00 0.00 175.10 173.96 1hii s THR 12 N -4.06 5.24 0.10 5.32 2.01 -1.26 -1.03 115.64 121.97 1hii s THR 12 Ca 0.31 0.17 0.07 0.00 0.31 0.00 0.00 61.69 62.54 1hii s THR 12 Cb 0.07 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1hii s THR 12 CO 0.07 0.11 -0.07 0.00 -0.69 0.00 0.00 174.62 174.03 1hii s ALA 13 N 1.88 3.05 -0.26 7.40 0.00 0.12 -4.54 121.76 129.42 1hii s ALA 13 Ca 0.10 -1.22 -0.07 0.00 0.00 0.00 0.00 51.96 50.77 1hii s ALA 13 Cb -0.16 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 1hii s ALA 13 CO 0.11 0.65 0.06 0.71 0.00 0.00 0.00 175.76 177.29 1hii s TYR 14 N -1.26 3.08 -0.34 0.00 1.51 0.08 -0.20 117.35 120.23 1hii s TYR 14 Ca 0.23 -0.57 -0.06 0.00 -1.01 0.00 0.00 57.07 55.66 1hii s TYR 14 Cb -0.11 -2.23 0.04 0.00 -0.11 0.00 0.00 41.96 39.55 1hii s TYR 14 CO 0.15 -0.42 0.10 0.42 -1.11 0.00 0.00 175.55 174.70 1hii s ILE 15 N 1.58 3.73 -1.51 2.71 1.01 0.07 -1.05 121.20 127.75 1hii s ILE 15 Ca 0.06 -1.18 -0.12 0.00 0.00 0.00 0.00 60.65 59.40 1hii s ILE 15 Cb -0.15 -3.13 0.07 0.00 0.01 0.00 0.00 42.46 39.26 1hii s ILE 15 CO 0.03 -0.20 0.97 -0.62 0.00 0.00 0.00 174.94 175.12 1hii n GLU 16 N 4.80 -5.59 0.00 2.79 -0.58 0.28 -1.66 120.64 120.68 1hii n GLU 16 Ca -0.12 0.61 0.00 0.00 -0.42 0.00 0.00 57.16 57.23 1hii n GLU 16 Cb 0.44 -5.48 0.00 0.00 -0.57 0.00 0.00 31.44 25.84 1hii n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1hii n GLY 17 N -1.70 2.94 3.71 0.62 0.00 -1.26 -5.04 105.19 104.47 1hii n GLY 17 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1hii n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hii s GLN 18 N -0.50 4.41 0.17 1.61 -0.21 -0.67 -4.98 119.66 119.50 1hii s GLN 18 Ca 0.00 0.83 -0.30 0.00 0.02 0.00 0.00 55.36 55.91 1hii s GLN 18 Cb 0.00 -3.46 -0.07 0.00 1.00 0.00 0.00 33.01 30.48 1hii s GLN 18 CO 0.00 0.05 1.02 -1.25 -2.12 0.00 0.00 175.29 172.99 1hii s PRO 19 N 0.88 4.68 -0.08 2.91 0.04 -1.26 -0.75 135.00 141.43 1hii s PRO 19 Ca 0.36 1.59 -0.11 0.00 0.04 0.00 0.00 61.00 62.88 1hii s PRO 19 Cb -0.17 -3.31 0.02 0.00 0.04 0.00 0.00 34.50 31.09 1hii s PRO 19 CO 0.17 0.21 0.28 0.54 0.04 0.00 0.00 177.00 178.24 1hii s VAL 20 N -0.40 0.02 -0.04 -0.36 0.11 0.73 -4.96 120.40 115.50 1hii s VAL 20 Ca 0.47 -0.15 -0.22 0.00 -2.93 0.00 0.00 61.98 59.15 1hii s VAL 20 Cb -0.27 -0.44 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 1hii s VAL 20 CO 0.33 -0.08 0.65 -1.61 -3.33 0.00 0.00 175.10 171.06 1hii s GLU 21 N -0.26 4.40 0.05 1.54 0.41 -1.26 0.16 118.70 123.75 1hii s GLU 21 Ca -0.04 0.80 0.04 0.00 -0.41 0.00 0.00 54.97 55.37 1hii s GLU 21 Cb -0.03 -3.40 -0.02 0.00 -1.78 0.00 0.00 34.13 28.89 1hii s GLU 21 CO 0.01 0.20 -0.13 0.14 -0.49 0.00 0.00 175.26 174.99 1hii s VAL 22 N 0.37 0.98 -0.23 2.63 -7.23 -0.20 -4.38 120.40 112.34 1hii s VAL 22 Ca 0.34 -1.12 -0.16 0.00 -1.81 0.00 0.00 61.98 59.24 1hii s VAL 22 Cb -0.18 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 1hii s VAL 22 CO 0.17 -0.16 0.41 -0.22 -0.31 0.00 0.00 175.10 174.99 1hii s LEU 23 N -1.44 4.11 -0.27 1.32 2.96 0.45 -1.78 118.68 124.04 1hii s LEU 23 Ca -0.02 0.46 -0.29 0.00 -0.22 0.00 0.00 54.13 54.06 1hii s LEU 23 Cb -0.09 -2.51 -0.00 0.00 0.50 0.00 0.00 46.19 44.09 1hii s LEU 23 CO 0.01 -0.13 1.28 -0.76 -1.32 0.00 0.00 176.35 175.44 1hii s LEU 24 N 1.62 3.95 -0.31 -0.68 1.43 0.09 -1.41 118.68 123.37 1hii s LEU 24 Ca 0.18 1.32 0.01 0.00 -1.03 0.00 0.00 54.13 54.60 1hii s LEU 24 Cb -0.15 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.62 1hii s LEU 24 CO 0.09 -1.00 0.07 -0.62 0.23 0.00 0.00 176.35 175.12 1hii s ASP 25 N 2.56 4.17 0.35 2.29 2.15 0.29 -4.77 116.67 123.70 1hii s ASP 25 Ca 0.55 -1.70 0.27 0.00 0.43 0.00 0.00 52.55 52.10 1hii s ASP 25 Cb -0.18 -1.09 1.15 0.00 -0.30 0.00 0.00 42.92 42.51 1hii s ASP 25 CO 0.21 -0.39 1.80 0.71 -0.17 0.00 0.00 175.17 177.33 1hii h THR 26 N 6.54 0.00 -0.26 1.71 1.35 -1.93 -1.92 112.91 118.40 1hii h THR 26 Ca -0.12 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1hii h THR 26 Cb 1.03 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1hii h THR 26 CO 0.47 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 1hii n GLY 27 N -0.16 0.54 3.41 5.82 0.00 -1.26 -4.81 105.19 108.73 1hii n GLY 27 Ca 0.01 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 1hii n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hii s ALA 28 N -1.66 2.65 0.07 4.61 0.00 -0.72 -5.01 121.76 121.69 1hii s ALA 28 Ca 0.30 -0.91 -0.08 0.00 0.00 0.00 0.00 51.96 51.27 1hii s ALA 28 Cb 0.16 -1.15 -0.27 0.00 0.00 0.00 0.00 23.12 21.85 1hii s ALA 28 CO 0.23 0.34 1.13 -0.44 0.00 0.00 0.00 175.76 177.02 1hii h ASP 29 N 6.31 0.58 -0.89 0.00 3.32 -1.88 0.15 116.42 124.00 1hii h ASP 29 Ca -0.32 -0.59 -0.62 0.00 0.02 0.00 0.00 57.03 55.52 1hii h ASP 29 Cb 1.20 -0.19 -0.10 0.00 0.22 0.00 0.00 39.33 40.46 1hii h ASP 29 CO 0.54 1.44 -0.48 -1.81 -1.72 0.00 0.00 179.24 177.21 1hii s ASP 30 N -7.26 4.27 -0.10 6.45 1.01 -1.26 -3.38 116.67 116.39 1hii s ASP 30 Ca -0.06 -1.39 0.02 0.00 0.71 0.00 0.00 52.55 51.83 1hii s ASP 30 Cb 0.06 0.12 -0.02 0.00 1.01 0.00 0.00 42.92 44.10 1hii s ASP 30 CO 0.90 -0.77 -0.15 -0.44 0.21 0.00 0.00 175.17 174.92 1hii s SER 31 N -3.95 3.88 -0.06 0.27 0.01 -1.26 -3.06 113.70 109.53 1hii s SER 31 Ca 0.25 -0.32 -0.00 0.00 1.31 0.00 0.00 55.95 57.19 1hii s SER 31 Cb 0.03 -1.32 0.02 0.00 0.21 0.00 0.00 66.02 64.96 1hii s SER 31 CO 0.14 0.22 -0.02 -0.63 0.41 0.00 0.00 173.24 173.36 1hii s ILE 32 N -0.00 0.46 0.09 1.44 1.01 -0.29 -1.19 121.20 122.73 1hii s ILE 32 Ca -0.05 -0.01 0.09 0.00 0.00 0.00 0.00 60.65 60.68 1hii s ILE 32 Cb -0.14 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.74 1hii s ILE 32 CO 0.04 0.24 -0.22 -0.69 0.00 0.00 0.00 174.94 174.31 1hii s VAL 33 N 1.42 1.83 0.20 2.92 1.01 0.17 -0.53 120.40 127.41 1hii s VAL 33 Ca -0.03 -1.52 0.09 0.00 0.00 0.00 0.00 61.98 60.52 1hii s VAL 33 Cb -0.13 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1hii s VAL 33 CO -0.03 0.03 -0.10 0.00 0.00 0.00 0.00 175.10 175.01 1hii s ALA 34 N -1.06 2.94 -0.75 5.51 0.00 -1.26 -2.42 121.76 124.72 1hii s ALA 34 Ca 0.08 -1.52 -0.02 0.00 0.00 0.00 0.00 51.96 50.50 1hii s ALA 34 Cb -0.10 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.33 1hii s ALA 34 CO 0.04 0.43 0.33 0.41 0.00 0.00 0.00 175.76 176.97 1hii n GLY 35 N -0.09 0.11 2.93 0.00 0.00 -1.26 -5.03 105.19 101.85 1hii n GLY 35 Ca -0.10 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 1hii n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hii s ILE 36 N -2.88 0.74 -0.41 -0.61 -1.09 -1.26 -5.10 121.20 110.60 1hii s ILE 36 Ca 0.16 -0.23 -0.09 0.00 -2.23 0.00 0.00 60.65 58.27 1hii s ILE 36 Cb -0.07 -0.74 0.07 0.00 -1.58 0.00 0.00 42.46 40.14 1hii s ILE 36 CO 0.20 0.28 0.24 -1.61 -1.23 0.00 0.00 174.94 172.82 1hii s GLU 37 N 0.97 2.60 0.00 2.79 2.02 -1.26 -4.93 118.70 120.89 1hii s GLU 37 Ca -0.10 -1.42 0.20 0.00 0.02 0.00 0.00 54.97 53.68 1hii s GLU 37 Cb -0.14 -3.74 0.45 0.00 0.10 0.00 0.00 34.13 30.80 1hii s GLU 37 CO 0.00 -0.91 1.38 1.28 0.02 0.00 0.00 175.26 177.03 1hii n LEU 38 N 4.90 3.44 0.00 1.80 4.77 -1.26 -5.09 117.00 125.57 1hii n LEU 38 Ca -0.10 -1.71 0.00 0.00 -0.03 0.00 0.00 56.01 54.17 1hii n LEU 38 Cb 0.43 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1hii n LEU 38 CO 0.38 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.85 1hii n GLY 39 N 1.33 -3.00 1.29 -0.72 0.00 -1.26 -4.72 105.19 98.11 1hii n GLY 39 Ca 0.19 -2.11 0.11 0.00 0.00 0.00 0.00 46.02 44.22 1hii n GLY 39 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1hii n ASN 40 N 0.00 3.74 -4.27 1.61 0.23 -1.26 -4.68 115.26 110.63 1hii n ASN 40 Ca 0.00 -2.00 -0.44 0.00 -0.53 0.00 0.00 54.58 51.61 1hii n ASN 40 Cb 0.00 -0.44 0.00 0.00 -2.08 0.00 0.00 39.78 37.26 1hii n ASN 40 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1hii n ASN 41 N 1.56 5.51 -4.19 0.53 4.05 -1.26 -4.95 115.26 116.52 1hii n ASN 41 Ca 0.23 -3.08 -0.16 0.00 0.45 0.00 0.00 54.58 52.02 1hii n ASN 41 Cb 0.60 -1.44 -0.10 0.00 1.23 0.00 0.00 39.78 40.07 1hii n ASN 41 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 1hii s TYR 42 N -0.35 1.43 -0.11 1.20 -0.85 -1.26 -4.77 117.35 112.65 1hii s TYR 42 Ca 0.36 -1.30 0.01 0.00 -0.52 0.00 0.00 57.07 55.62 1hii s TYR 42 Cb -0.03 -0.78 -0.02 0.00 0.38 0.00 0.00 41.96 41.52 1hii s TYR 42 CO -0.01 -0.49 -0.15 -1.12 -1.52 0.00 0.00 175.55 172.26 1hii s SER 43 N -3.28 3.91 0.22 -0.18 0.01 -0.30 -4.86 113.70 109.23 1hii s SER 43 Ca 0.38 -0.33 -0.30 0.00 1.31 0.00 0.00 55.95 57.01 1hii s SER 43 Cb 0.07 -1.42 -0.09 0.00 0.21 0.00 0.00 66.02 64.79 1hii s SER 43 CO 0.14 0.20 1.30 -2.84 0.41 0.00 0.00 173.24 172.45 1hii s PRO 44 N 0.12 4.40 0.21 12.44 0.02 -1.26 -1.01 135.00 149.92 1hii s PRO 44 Ca -0.07 2.06 -0.01 0.00 0.02 0.00 0.00 61.00 63.01 1hii s PRO 44 Cb -0.15 -3.18 -0.04 0.00 0.02 0.00 0.00 34.50 31.16 1hii s PRO 44 CO 0.05 -0.21 0.15 0.15 -0.33 0.00 0.00 177.00 176.80 1hii s LYS 45 N -0.45 1.24 -0.03 5.54 -0.14 -0.46 -4.92 119.74 120.53 1hii s LYS 45 Ca 0.55 -1.65 0.03 0.00 -1.36 0.00 0.00 55.97 53.54 1hii s LYS 45 Cb -0.37 0.28 0.00 0.00 -1.68 0.00 0.00 37.83 36.06 1hii s LYS 45 CO 0.41 -0.41 -0.12 0.42 -0.76 0.00 0.00 175.35 174.88 1hii s ILE 46 N -4.11 1.03 -0.02 2.17 1.01 -1.26 -0.88 121.20 119.15 1hii s ILE 46 Ca 0.39 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.59 1hii s ILE 46 Cb 0.07 -0.90 -0.01 0.00 0.01 0.00 0.00 42.46 41.62 1hii s ILE 46 CO 0.13 0.31 -0.17 -0.69 0.00 0.00 0.00 174.94 174.52 1hii s VAL 47 N 0.12 1.34 0.12 2.92 1.01 -0.06 -4.95 120.40 120.90 1hii s VAL 47 Ca -0.03 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.33 1hii s VAL 47 Cb -0.10 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1hii s VAL 47 CO 0.01 0.38 -0.15 -0.83 0.00 0.00 0.00 175.10 174.52 1hii s GLY 48 N -0.27 1.73 0.00 4.51 0.00 -1.26 -0.57 107.32 111.47 1hii s GLY 48 Ca 0.04 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.43 1hii s GLY 48 CO 0.00 -1.31 0.00 0.61 0.00 0.00 0.00 173.10 172.41 1hii n GLY 49 N 0.71 4.61 3.77 0.20 0.00 -0.02 -4.99 105.19 109.46 1hii n GLY 49 Ca -0.14 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 1hii n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hii s ILE 50 N 0.01 3.16 0.00 -0.61 -1.09 -1.26 -3.19 121.20 118.22 1hii s ILE 50 Ca 0.00 1.03 0.00 0.00 -2.23 0.00 0.00 60.65 59.45 1hii s ILE 50 Cb 0.00 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 1hii s ILE 50 CO 0.00 0.14 0.00 0.61 -1.23 0.00 0.00 174.94 174.46 1hii n GLY 51 N 0.73 2.82 0.00 6.18 0.00 -1.26 -4.88 105.19 108.78 1hii n GLY 51 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1hii n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hii n GLY 52 N -2.00 0.77 3.42 -0.02 0.00 -1.19 -5.12 105.19 101.05 1hii n GLY 52 Ca 0.00 -1.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.01 1hii n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hii s PHE 53 N -3.22 2.23 0.04 1.61 0.40 -1.26 -0.84 117.98 116.95 1hii s PHE 53 Ca 0.00 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 55.97 1hii s PHE 53 Cb 0.00 -1.08 -0.03 0.00 0.51 0.00 0.00 43.02 42.42 1hii s PHE 53 CO 0.00 0.52 -0.05 0.96 0.70 0.00 0.00 175.22 177.35 1hii s ILE 54 N -1.89 0.34 0.04 0.64 -4.36 0.27 -4.96 121.20 111.28 1hii s ILE 54 Ca 0.22 -1.24 -0.20 0.00 -0.26 0.00 0.00 60.65 59.17 1hii s ILE 54 Cb -0.07 -0.75 -0.06 0.00 1.25 0.00 0.00 42.46 42.82 1hii s ILE 54 CO 0.10 -0.59 0.60 0.20 0.24 0.00 0.00 174.94 175.49 1hii s ASN 55 N -1.93 7.03 0.26 4.36 0.01 -1.26 -0.89 114.94 122.53 1hii s ASN 55 Ca -0.07 1.23 0.03 0.00 -0.71 0.00 0.00 52.86 53.34 1hii s ASN 55 Cb -0.05 -2.37 -0.05 0.00 0.41 0.00 0.00 41.25 39.18 1hii s ASN 55 CO -0.02 0.18 0.05 0.42 -1.51 0.00 0.00 177.10 176.21 1hii s THR 56 N -0.60 0.90 -0.18 1.60 -4.23 -0.06 -4.52 115.64 108.55 1hii s THR 56 Ca 0.31 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.81 1hii s THR 56 Cb -0.19 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 71.13 1hii s THR 56 CO 0.18 -0.14 -0.13 -0.54 -0.54 0.00 0.00 174.62 173.46 1hii s LYS 57 N -3.93 2.27 -0.18 3.99 1.02 -0.43 -1.35 119.74 121.13 1hii s LYS 57 Ca 0.34 -0.75 -0.14 0.00 0.02 0.00 0.00 55.97 55.44 1hii s LYS 57 Cb 0.07 -2.33 -0.05 0.00 -0.52 0.00 0.00 37.83 35.00 1hii s LYS 57 CO 0.12 -0.33 0.28 -2.00 -0.92 0.00 0.00 175.35 172.50 1hii s GLU 58 N 1.41 4.22 -0.02 1.68 2.12 -0.18 -0.97 118.70 126.96 1hii s GLU 58 Ca 0.02 0.05 0.06 0.00 0.36 0.00 0.00 54.97 55.46 1hii s GLU 58 Cb -0.15 -3.46 -0.02 0.00 0.26 0.00 0.00 34.13 30.76 1hii s GLU 58 CO -0.10 0.17 -0.20 0.71 -0.54 0.00 0.00 175.26 175.31 1hii s TYR 59 N 0.67 2.51 0.14 5.30 1.51 0.42 -1.15 117.35 126.76 1hii s TYR 59 Ca 0.15 -0.30 0.03 0.00 -1.01 0.00 0.00 57.07 55.95 1hii s TYR 59 Cb -0.13 -1.54 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1hii s TYR 59 CO 0.04 0.10 0.20 0.15 -1.11 0.00 0.00 175.55 174.93 1hii s LYS 60 N -0.81 3.15 -1.36 -0.62 -0.14 -1.26 -0.83 119.74 117.87 1hii s LYS 60 Ca 0.11 -0.72 -0.07 0.00 -1.36 0.00 0.00 55.97 53.94 1hii s LYS 60 Cb -0.10 -2.81 0.01 0.00 -1.68 0.00 0.00 37.83 33.25 1hii s LYS 60 CO 0.01 0.52 0.95 0.09 -0.76 0.00 0.00 175.35 176.15 1hii n ASN 61 N -0.31 -6.12 -4.78 2.83 3.02 -1.13 -4.92 115.26 103.85 1hii n ASN 61 Ca -0.08 -0.43 -0.39 0.00 -0.03 0.00 0.00 54.58 53.65 1hii n ASN 61 Cb 0.54 -4.81 -0.06 0.00 -0.61 0.00 0.00 39.78 34.84 1hii n ASN 61 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1hii s VAL 62 N -3.25 4.45 -0.13 2.41 1.01 -0.15 -4.69 120.40 120.03 1hii s VAL 62 Ca 0.47 1.63 -0.29 0.00 0.00 0.00 0.00 61.98 63.79 1hii s VAL 62 Cb -0.21 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 1hii s VAL 62 CO 0.58 0.52 1.09 -0.70 0.00 0.00 0.00 175.10 176.59 1hii s GLU 63 N -1.05 4.34 -0.06 2.72 2.12 -1.26 -1.11 118.70 124.40 1hii s GLU 63 Ca 0.35 1.48 0.02 0.00 0.36 0.00 0.00 54.97 57.19 1hii s GLU 63 Cb -0.22 -3.60 0.01 0.00 0.26 0.00 0.00 34.13 30.58 1hii s GLU 63 CO 0.25 -0.47 -0.12 0.42 -0.54 0.00 0.00 175.26 174.80 1hii s ILE 64 N 2.53 1.11 -0.13 -3.70 1.01 0.08 -0.55 121.20 121.55 1hii s ILE 64 Ca 0.50 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.69 1hii s ILE 64 Cb -0.19 -1.01 0.01 0.00 0.01 0.00 0.00 42.46 41.28 1hii s ILE 64 CO 0.16 0.35 -0.19 -0.70 0.00 0.00 0.00 174.94 174.55 1hii s GLU 65 N 0.59 2.72 -0.06 2.79 2.12 -0.22 -0.83 118.70 125.82 1hii s GLU 65 Ca -0.13 -0.74 -0.01 0.00 0.36 0.00 0.00 54.97 54.45 1hii s GLU 65 Cb -0.15 -2.25 0.03 0.00 0.26 0.00 0.00 34.13 32.02 1hii s GLU 65 CO 0.03 -0.05 0.00 0.08 -0.54 0.00 0.00 175.26 174.78 1hii s VAL 66 N 0.94 0.33 -1.40 3.70 1.01 -0.31 -0.74 120.40 123.92 1hii s VAL 66 Ca -0.05 0.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 1hii s VAL 66 Cb -0.15 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.77 1hii s VAL 66 CO -0.03 0.24 0.35 0.18 0.00 0.00 0.00 175.10 175.83 1hii n LEU 67 N 4.92 -1.44 -1.61 3.92 4.77 -1.26 -1.00 117.00 125.30 1hii n LEU 67 Ca -0.11 -1.17 -0.17 0.00 -0.03 0.00 0.00 56.01 54.54 1hii n LEU 67 Cb 0.50 -1.89 -0.04 0.00 -2.33 0.00 0.00 43.42 39.67 1hii n LEU 67 CO 0.13 0.52 -0.19 0.59 -1.33 0.00 0.00 177.39 177.11 1hii n ASN 68 N -2.76 -4.95 -4.41 -1.43 4.13 -1.26 -5.00 115.26 99.58 1hii n ASN 68 Ca -0.26 0.18 -0.32 0.00 1.68 0.00 0.00 54.58 55.86 1hii n ASN 68 Cb 0.66 -3.99 -0.14 0.00 -1.54 0.00 0.00 39.78 34.77 1hii n ASN 68 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1hii s LYS 69 N -4.17 2.32 -0.13 3.52 -0.14 -0.17 -5.12 119.74 115.84 1hii s LYS 69 Ca 0.00 -0.81 0.01 0.00 -1.36 0.00 0.00 55.97 53.82 1hii s LYS 69 Cb 0.00 -2.23 0.02 0.00 -1.68 0.00 0.00 37.83 33.94 1hii s LYS 69 CO 0.00 0.59 -0.17 0.15 -0.76 0.00 0.00 175.35 175.16 1hii s LYS 70 N -0.72 2.49 0.22 1.68 1.02 -1.26 -1.17 119.74 122.01 1hii s LYS 70 Ca 0.11 -0.65 0.03 0.00 0.02 0.00 0.00 55.97 55.48 1hii s LYS 70 Cb -0.10 -2.13 -0.05 0.00 -0.52 0.00 0.00 37.83 35.02 1hii s LYS 70 CO 0.00 -0.11 0.02 0.14 -0.92 0.00 0.00 175.35 174.47 1hii s VAL 71 N 1.12 0.86 -0.12 3.17 -7.23 -0.01 -4.99 120.40 113.20 1hii s VAL 71 Ca -0.02 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.15 1hii s VAL 71 Cb -0.14 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.45 1hii s VAL 71 CO -0.05 -0.31 -0.17 -0.13 -0.31 0.00 0.00 175.10 174.12 1hii s ARG 72 N -3.91 3.24 0.27 4.82 1.81 -1.26 -0.74 118.95 123.19 1hii s ARG 72 Ca 0.29 -0.76 -0.08 0.00 -1.72 0.00 0.00 55.73 53.45 1hii s ARG 72 Cb 0.06 -2.51 -0.01 0.00 -0.45 0.00 0.00 34.95 32.05 1hii s ARG 72 CO 0.08 0.18 0.44 0.00 -0.68 0.00 0.00 175.30 175.32 1hii s ALA 73 N 0.40 0.21 0.18 2.13 0.00 -0.27 -4.81 121.76 119.61 1hii s ALA 73 Ca -0.13 -1.16 -0.27 0.00 0.00 0.00 0.00 51.96 50.39 1hii s ALA 73 Cb -0.17 1.12 -0.08 0.00 0.00 0.00 0.00 23.12 24.00 1hii s ALA 73 CO 0.06 -0.81 0.84 0.99 0.00 0.00 0.00 175.76 176.84 1hii s THR 74 N -3.71 4.31 0.00 0.00 2.01 -1.26 -0.98 115.64 116.01 1hii s THR 74 Ca 0.27 1.84 -0.03 0.00 0.31 0.00 0.00 61.69 64.08 1hii s THR 74 Cb 0.00 -4.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.30 1hii s THR 74 CO 0.13 0.49 0.05 -0.63 -0.69 0.00 0.00 174.62 173.97 1hii s ILE 75 N -1.00 0.07 0.10 1.82 -1.09 -0.01 -4.67 121.20 116.42 1hii s ILE 75 Ca 0.38 -0.60 0.10 0.00 -2.23 0.00 0.00 60.65 58.30 1hii s ILE 75 Cb -0.24 -0.27 -0.04 0.00 -1.58 0.00 0.00 42.46 40.33 1hii s ILE 75 CO 0.28 -0.33 -0.26 -0.04 -1.23 0.00 0.00 174.94 173.36 1hii s MET 76 N -1.04 1.52 0.06 2.79 -1.94 -0.33 -0.44 119.30 119.92 1hii s MET 76 Ca -0.11 -1.24 0.06 0.00 -1.71 0.00 0.00 55.69 52.69 1hii s MET 76 Cb -0.07 -1.88 -0.04 0.00 2.01 0.00 0.00 34.83 34.86 1hii s MET 76 CO 0.00 0.46 -0.12 0.95 -0.01 0.00 0.00 175.02 176.30 1hii s THR 77 N -0.97 3.24 0.00 2.05 -4.23 -0.14 -0.66 115.64 114.93 1hii s THR 77 Ca 0.13 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 1hii s THR 77 Cb -0.10 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1hii s THR 77 CO 0.04 0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 1hii n GLY 78 N 1.21 0.35 3.56 3.99 0.00 -1.01 -1.31 105.19 111.98 1hii n GLY 78 Ca -0.15 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 1hii n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hii s ASP 79 N 0.00 5.75 0.02 1.61 2.15 -1.26 -4.19 116.67 120.74 1hii s ASP 79 Ca 0.00 -0.95 0.08 0.00 0.43 0.00 0.00 52.55 52.11 1hii s ASP 79 Cb 0.00 -2.56 -0.03 0.00 -0.30 0.00 0.00 42.92 40.03 1hii s ASP 79 CO 0.00 -2.18 -0.24 0.28 -0.17 0.00 0.00 175.17 172.85 1hii s THR 80 N 7.77 2.27 0.29 1.71 -1.32 -1.26 -5.02 115.64 120.07 1hii s THR 80 Ca 0.59 -1.23 0.06 0.00 -1.21 0.00 0.00 61.69 59.89 1hii s THR 80 Cb -0.04 -1.86 0.03 0.00 -1.51 0.00 0.00 72.50 69.12 1hii s THR 80 CO -0.03 0.44 1.69 -0.65 -2.21 0.00 0.00 174.62 173.86 1hii h PRO 81 N 5.00 0.26 -4.95 7.08 0.11 -1.98 -3.44 132.00 134.09 1hii h PRO 81 Ca -0.46 -0.13 -0.41 0.00 0.11 0.00 0.00 66.00 65.12 1hii h PRO 81 Cb 1.14 -0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.98 1hii h PRO 81 CO 0.46 0.64 -0.78 0.42 -0.21 0.00 0.00 178.00 178.52 1hii s ILE 82 N -4.14 0.86 0.16 4.15 1.01 -1.26 -5.11 121.20 116.87 1hii s ILE 82 Ca -0.05 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 59.66 1hii s ILE 82 Cb 0.13 -0.75 -0.07 0.00 0.01 0.00 0.00 42.46 41.78 1hii s ILE 82 CO 0.78 0.11 1.06 0.20 0.00 0.00 0.00 174.94 177.09 1hii s ASN 83 N -0.60 7.33 -0.06 3.58 0.01 -1.26 -4.88 114.94 119.07 1hii s ASN 83 Ca 0.02 2.02 0.04 0.00 -0.71 0.00 0.00 52.86 54.23 1hii s ASN 83 Cb -0.05 -2.60 -0.00 0.00 0.41 0.00 0.00 41.25 39.00 1hii s ASN 83 CO 0.00 -0.17 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.60 1hii s ILE 84 N -0.22 1.62 -0.34 0.60 -1.09 0.31 -0.41 121.20 121.67 1hii s ILE 84 Ca 0.48 -0.80 -0.06 0.00 -2.23 0.00 0.00 60.65 58.04 1hii s ILE 84 Cb -0.28 -1.39 0.04 0.00 -1.58 0.00 0.00 42.46 39.25 1hii s ILE 84 CO 0.34 0.46 0.11 -0.36 -1.23 0.00 0.00 174.94 174.25 1hii s PHE 85 N 0.13 3.25 0.14 3.97 0.40 -0.50 -1.13 117.98 124.24 1hii s PHE 85 Ca -0.08 -1.41 -0.00 0.00 -0.60 0.00 0.00 56.93 54.84 1hii s PHE 85 Cb -0.14 -2.28 0.03 0.00 0.51 0.00 0.00 43.02 41.15 1hii s PHE 85 CO 0.04 -0.73 0.19 0.41 0.70 0.00 0.00 175.22 175.83 1hii n GLY 86 N 4.81 0.51 0.41 4.36 0.00 -1.17 -0.55 105.19 113.56 1hii n GLY 86 Ca -0.12 -1.93 0.23 0.00 0.00 0.00 0.00 46.02 44.19 1hii n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hii h ARG 87 N 0.00 0.03 -0.43 1.61 3.08 -0.78 -1.71 114.38 116.17 1hii h ARG 87 Ca -0.06 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1hii h ARG 87 Cb 0.22 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1hii h ARG 87 CO 0.06 0.02 0.12 -2.95 -1.07 0.00 0.00 179.97 176.16 1hii h ASN 88 N 0.03 0.58 0.41 7.04 -1.07 -1.81 -0.90 115.58 119.86 1hii h ASN 88 Ca 0.32 -0.08 -0.31 0.00 0.07 0.00 0.00 56.30 56.30 1hii h ASN 88 Cb 1.23 -0.15 -0.02 0.00 -2.07 0.00 0.00 38.32 37.31 1hii h ASN 88 CO -0.01 0.57 -1.67 0.40 0.07 0.00 0.00 177.43 176.79 1hii h ILE 89 N 0.62 0.97 -0.80 6.14 2.04 -1.67 -3.20 117.51 121.61 1hii h ILE 89 Ca 0.15 -2.69 -0.03 0.00 1.00 0.00 0.00 64.86 63.28 1hii h ILE 89 Cb 0.21 2.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.86 1hii h ILE 89 CO -0.01 0.75 0.37 -0.07 0.00 0.00 0.00 178.15 179.19 1hii h LEU 90 N 0.05 1.05 -0.57 1.44 3.38 -1.11 -1.52 115.31 118.02 1hii h LEU 90 Ca -0.29 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.42 1hii h LEU 90 Cb 2.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 1hii h LEU 90 CO 0.12 0.89 -0.33 0.71 0.09 0.00 0.00 178.44 179.92 1hii h THR 91 N 1.14 1.28 -0.11 0.22 1.35 -1.30 -0.84 112.91 114.65 1hii h THR 91 Ca 0.27 -1.49 -0.03 0.00 -0.55 0.00 0.00 66.41 64.61 1hii h THR 91 Cb 0.13 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 67.92 1hii h THR 91 CO -0.03 0.49 -0.07 0.00 -0.25 0.00 0.00 175.52 175.66 1hii h ALA 92 N 0.97 1.68 0.00 6.62 0.00 -1.44 -0.25 119.26 126.84 1hii h ALA 92 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1hii h ALA 92 Cb 0.87 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1hii h ALA 92 CO 0.08 0.24 -0.31 1.28 0.00 0.00 0.00 179.25 180.54 1hii n LEU 93 N -4.36 0.42 0.00 0.00 4.77 -0.61 -4.94 117.00 112.27 1hii n LEU 93 Ca -0.01 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1hii n LEU 93 Cb 0.20 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1hii n LEU 93 CO 0.36 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1hii n GLY 94 N 1.44 0.51 3.82 -0.72 0.00 -0.10 -5.05 105.19 105.08 1hii n GLY 94 Ca 0.06 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 1hii n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1hii s MET 95 N -1.48 3.70 0.07 1.61 -1.94 -0.39 -5.02 119.30 115.85 1hii s MET 95 Ca 0.00 1.15 -0.08 0.00 -1.71 0.00 0.00 55.69 55.05 1hii s MET 95 Cb 0.00 -2.09 -0.00 0.00 2.01 0.00 0.00 34.83 34.75 1hii s MET 95 CO 0.00 -0.49 0.17 -1.54 -0.01 0.00 0.00 175.02 173.16 1hii s SER 96 N -2.65 0.11 -0.23 3.03 1.04 -1.26 -4.66 113.70 109.08 1hii s SER 96 Ca 0.63 -0.56 -0.07 0.00 0.48 0.00 0.00 55.95 56.42 1hii s SER 96 Cb -0.13 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.26 1hii s SER 96 CO 0.29 -0.65 0.07 -0.22 0.98 0.00 0.00 173.24 173.72 1hii s LEU 97 N -2.55 3.57 0.17 2.42 2.96 -1.26 -5.09 118.68 118.89 1hii s LEU 97 Ca 0.01 -0.12 0.09 0.00 -0.22 0.00 0.00 54.13 53.89 1hii s LEU 97 Cb 0.03 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 1hii s LEU 97 CO -0.08 0.02 -0.20 0.20 -1.32 0.00 0.00 176.35 174.97 1hii s ASN 98 N 1.29 2.86 0.00 3.68 -0.87 -1.26 -5.30 114.94 115.34 1hii s ASN 98 Ca 0.05 -0.85 0.00 0.00 -1.57 0.00 0.00 52.86 50.49 1hii s ASN 98 Cb -0.15 -0.18 0.00 0.00 -0.02 0.00 0.00 41.25 40.90 1hii s ASN 98 CO 0.04 0.01 0.00 -0.11 -2.57 0.00 0.00 177.10 174.47