#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gh5 s ILE 2 N 0.00 4.21 0.01 2.02 2.07 -1.26 -4.63 121.20 123.62 1gh5 s ILE 2 Ca 0.00 1.88 -0.00 0.00 -1.41 0.00 0.00 60.65 61.11 1gh5 s ILE 2 Cb 0.00 -4.20 -0.01 0.00 0.13 0.00 0.00 42.46 38.38 1gh5 s ILE 2 CO 0.00 0.31 -0.01 0.20 -1.91 0.00 0.00 174.94 173.52 1gh5 s ASN 3 N -0.08 0.13 -0.42 4.50 -0.87 -1.26 -4.93 114.94 112.01 1gh5 s ASN 3 Ca 0.48 -0.28 -0.29 0.00 -1.57 0.00 0.00 52.86 51.20 1gh5 s ASN 3 Cb -0.26 0.06 0.01 0.00 -0.02 0.00 0.00 41.25 41.04 1gh5 s ASN 3 CO 0.32 -0.18 1.42 -0.60 -2.57 0.00 0.00 177.10 175.49 1gh5 s ARG 4 N -0.85 3.54 0.12 -0.60 3.52 -1.26 -4.10 118.95 119.31 1gh5 s ARG 4 Ca -0.09 0.91 0.08 0.00 -0.13 0.00 0.00 55.73 56.49 1gh5 s ARG 4 Cb -0.06 -4.04 -0.04 0.00 -1.56 0.00 0.00 34.95 29.25 1gh5 s ARG 4 CO -0.01 -1.61 -0.11 -0.08 -0.81 0.00 0.00 175.30 172.69 1gh5 s THR 5 N 5.53 3.27 -0.37 4.11 -1.32 0.23 -4.97 115.64 122.12 1gh5 s THR 5 Ca 0.61 -1.35 -0.01 0.00 -1.21 0.00 0.00 61.69 59.74 1gh5 s THR 5 Cb -0.14 -2.54 0.28 0.00 -1.51 0.00 0.00 72.50 68.60 1gh5 s THR 5 CO 0.32 0.08 1.95 -0.67 -2.21 0.00 0.00 174.62 174.10 1gh5 n ASP 6 N 0.64 6.25 -2.79 8.08 -0.08 -1.26 -1.87 116.55 125.50 1gh5 n ASP 6 Ca -0.13 -3.17 -0.02 0.00 -1.51 0.00 0.00 54.79 49.96 1gh5 n ASP 6 Cb 0.53 -0.99 -0.01 0.00 2.34 0.00 0.00 41.12 42.98 1gh5 n ASP 6 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1gh5 n ASN 8 N 1.27 0.28 0.00 0.00 0.23 -1.26 -5.00 115.26 110.78 1gh5 n ASN 8 Ca -0.13 0.11 0.00 0.00 -0.53 0.00 0.00 54.58 54.03 1gh5 n ASN 8 Cb 0.27 1.47 0.00 0.00 -2.08 0.00 0.00 39.78 39.44 1gh5 n ASN 8 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1gh5 n GLU 9 N -2.41 1.34 -4.32 -3.83 2.13 -1.26 -5.17 120.64 107.11 1gh5 n GLU 9 Ca -0.04 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.57 1gh5 n GLU 9 Cb 0.58 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.16 1gh5 n GLU 9 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1gh5 s ASN 10 N 1.00 2.03 0.00 4.31 -0.87 -1.26 -4.91 114.94 115.25 1gh5 s ASN 10 Ca 0.00 -0.58 0.00 0.00 -1.57 0.00 0.00 52.86 50.71 1gh5 s ASN 10 Cb 0.00 -0.11 0.00 0.00 -0.02 0.00 0.00 41.25 41.12 1gh5 s ASN 10 CO 0.00 0.02 0.00 -1.54 -2.57 0.00 0.00 177.10 173.01 1gh5 n SER 11 N 1.46 -1.24 -3.46 -1.22 3.41 -1.26 -4.97 113.62 106.34 1gh5 n SER 11 Ca -0.19 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.28 1gh5 n SER 11 Cb 0.54 -0.51 -0.05 0.00 -0.26 0.00 0.00 64.21 63.93 1gh5 n SER 11 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1gh5 s TYR 12 N -2.62 0.91 -0.14 7.33 2.02 -1.26 -4.58 117.35 119.00 1gh5 s TYR 12 Ca 0.00 -1.18 -0.18 0.00 -0.37 0.00 0.00 57.07 55.34 1gh5 s TYR 12 Cb 0.00 -0.05 -0.04 0.00 -0.40 0.00 0.00 41.96 41.47 1gh5 s TYR 12 CO 0.00 -1.08 0.48 -1.17 -1.57 0.00 0.00 175.55 172.21 1gh5 s LEU 13 N -3.18 4.24 0.03 -1.29 2.96 -1.18 -1.41 118.68 118.85 1gh5 s LEU 13 Ca 0.29 0.76 0.04 0.00 -0.22 0.00 0.00 54.13 55.01 1gh5 s LEU 13 Cb 0.00 -2.68 -0.02 0.00 0.50 0.00 0.00 46.19 43.99 1gh5 s LEU 13 CO 0.17 -0.04 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.42 1gh5 s GLU 14 N 0.89 0.89 -0.08 1.98 2.02 -0.96 -0.42 118.70 123.03 1gh5 s GLU 14 Ca 0.25 -0.71 -0.02 0.00 0.02 0.00 0.00 54.97 54.51 1gh5 s GLU 14 Cb -0.15 -0.88 0.03 0.00 0.10 0.00 0.00 34.13 33.23 1gh5 s GLU 14 CO 0.10 0.22 0.01 0.42 0.02 0.00 0.00 175.26 176.02 1gh5 s ILE 15 N -0.81 0.38 -0.31 -1.63 1.01 -0.35 0.10 121.20 119.58 1gh5 s ILE 15 Ca 0.01 0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.76 1gh5 s ILE 15 Cb -0.08 -0.57 0.09 0.00 0.01 0.00 0.00 42.46 41.91 1gh5 s ILE 15 CO 0.01 0.22 -0.00 -1.38 0.00 0.00 0.00 174.94 173.78 1gh5 s HIS 16 N 1.97 3.57 0.16 3.97 -3.43 -1.01 -0.29 115.29 120.22 1gh5 s HIS 16 Ca 0.04 -2.76 0.02 0.00 -0.80 0.00 0.00 55.06 51.57 1gh5 s HIS 16 Cb -0.13 -2.57 0.02 0.00 -1.43 0.00 0.00 32.58 28.47 1gh5 s HIS 16 CO -0.05 -0.92 0.21 0.27 -2.00 0.00 0.00 174.74 172.24 1gh5 n ASN 17 N 4.32 0.67 -2.94 7.38 6.94 -1.10 -3.42 115.26 127.12 1gh5 n ASN 17 Ca -0.02 -1.43 -0.22 0.00 -0.02 0.00 0.00 54.58 52.89 1gh5 n ASN 17 Cb 0.42 -0.10 0.04 0.00 -2.36 0.00 0.00 39.78 37.77 1gh5 n ASN 17 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1gh5 n ASN 18 N -2.72 -6.04 -1.85 0.53 3.02 0.14 -0.42 115.26 107.92 1gh5 n ASN 18 Ca 0.04 -0.29 -0.15 0.00 -0.03 0.00 0.00 54.58 54.15 1gh5 n ASN 18 Cb 0.16 -4.85 0.00 0.00 -0.61 0.00 0.00 39.78 34.49 1gh5 n ASN 18 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1gh5 n GLU 19 N -3.97 -1.97 -2.18 3.52 1.02 -1.26 -2.94 120.64 112.87 1gh5 n GLU 19 Ca -0.11 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 1gh5 n GLU 19 Cb 0.62 -5.00 0.00 0.00 -0.02 0.00 0.00 31.44 27.04 1gh5 n GLU 19 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gh5 n GLY 20 N -1.11 0.73 0.13 0.62 0.00 -0.38 -5.00 105.19 100.17 1gh5 n GLY 20 Ca -0.14 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 1gh5 n GLY 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1gh5 n ARG 21 N -0.69 0.62 -3.93 1.61 0.00 0.44 -4.91 116.66 109.80 1gh5 n ARG 21 Ca 0.00 0.28 -0.28 0.00 -0.00 0.00 0.00 57.85 57.85 1gh5 n ARG 21 Cb 0.48 -1.56 -0.17 0.00 0.00 0.00 0.00 32.46 31.21 1gh5 n ARG 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1gh5 s ASP 22 N -7.09 2.70 0.04 6.15 1.01 -1.20 -5.03 116.67 113.25 1gh5 s ASP 22 Ca -0.35 -0.56 0.00 0.00 0.71 0.00 0.00 52.55 52.35 1gh5 s ASP 22 Cb 0.11 -0.98 -0.04 0.00 1.01 0.00 0.00 42.92 43.02 1gh5 s ASP 22 CO 0.56 -0.14 0.15 -0.89 0.21 0.00 0.00 175.17 175.07 1gh5 s THR 23 N 1.60 5.10 -0.13 -1.27 2.01 -1.26 -2.70 115.64 118.98 1gh5 s THR 23 Ca 0.02 -0.43 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 1gh5 s THR 23 Cb -0.14 -3.44 0.04 0.00 0.01 0.00 0.00 72.50 68.97 1gh5 s THR 23 CO -0.08 0.21 0.00 -0.76 -0.69 0.00 0.00 174.62 173.29 1gh5 s LEU 24 N -2.25 0.99 -0.28 4.42 1.02 0.60 -4.94 118.68 118.25 1gh5 s LEU 24 Ca 0.30 -0.46 -0.11 0.00 0.02 0.00 0.00 54.13 53.89 1gh5 s LEU 24 Cb -0.13 -0.59 -0.05 0.00 0.02 0.00 0.00 46.19 45.44 1gh5 s LEU 24 CO 0.23 -0.23 0.18 0.00 0.02 0.00 0.00 176.35 176.54 1gh5 s PHE 26 N 1.74 2.97 0.27 0.00 0.08 0.44 0.75 117.98 124.24 1gh5 s PHE 26 Ca 0.07 -0.08 0.02 0.00 0.12 0.00 0.00 56.93 57.06 1gh5 s PHE 26 Cb -0.16 -1.44 -0.03 0.00 -0.57 0.00 0.00 43.02 40.82 1gh5 s PHE 26 CO 0.10 0.52 0.24 0.00 -0.10 0.00 0.00 175.22 175.98 1gh5 s ALA 27 N -1.71 1.40 0.44 5.36 0.00 -1.26 -3.12 121.76 122.87 1gh5 s ALA 27 Ca 0.29 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.42 1gh5 s ALA 27 Cb -0.10 1.40 0.00 0.00 0.00 0.00 0.00 23.12 24.42 1gh5 s ALA 27 CO 0.20 -0.65 0.00 0.09 0.00 0.00 0.00 175.76 175.40 1gh5 n ASN 28 N -0.97 -6.71 0.00 0.00 4.13 -1.26 -4.39 115.26 106.06 1gh5 n ASN 28 Ca 0.04 1.24 0.02 0.00 1.68 0.00 0.00 54.58 57.56 1gh5 n ASN 28 Cb 0.64 -3.62 0.11 0.00 -1.54 0.00 0.00 39.78 35.36 1gh5 n ASN 28 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1gh5 n ALA 29 N -1.72 1.29 -1.01 5.41 0.00 -1.26 -4.77 120.51 118.45 1gh5 n ALA 29 Ca 0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 53.44 53.08 1gh5 n ALA 29 Cb 0.21 -1.08 0.02 0.00 0.00 0.00 0.00 19.45 18.60 1gh5 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gh5 n GLY 30 N -0.95 -3.64 2.66 0.00 0.00 -1.26 -3.04 105.19 98.96 1gh5 n GLY 30 Ca 0.02 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 1gh5 n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gh5 s THR 31 N -1.81 -0.11 0.05 2.61 2.01 -1.26 -2.66 115.64 114.46 1gh5 s THR 31 Ca 0.43 0.35 -0.03 0.00 0.31 0.00 0.00 61.69 62.75 1gh5 s THR 31 Cb -0.30 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.99 1gh5 s THR 31 CO 0.68 0.12 0.04 0.00 -0.69 0.00 0.00 174.62 174.78 1gh5 s MET 32 N 2.17 0.59 0.08 4.92 0.23 0.06 -4.79 119.30 122.55 1gh5 s MET 32 Ca 0.05 -0.93 -0.31 0.00 -1.03 0.00 0.00 55.69 53.47 1gh5 s MET 32 Cb -0.13 0.22 -0.06 0.00 -1.53 0.00 0.00 34.83 33.33 1gh5 s MET 32 CO -0.04 -0.13 1.27 -1.25 -2.03 0.00 0.00 175.02 172.83 1gh5 s PRO 33 N -3.09 4.39 0.15 3.16 0.04 -1.26 0.87 135.00 139.26 1gh5 s PRO 33 Ca -0.01 1.87 0.04 0.00 0.04 0.00 0.00 61.00 62.95 1gh5 s PRO 33 Cb 0.02 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1gh5 s PRO 33 CO -0.07 -0.32 -0.08 0.14 0.04 0.00 0.00 177.00 176.71 1gh5 s VAL 34 N 1.09 1.08 -0.22 -0.36 -7.23 0.19 -4.77 120.40 110.18 1gh5 s VAL 34 Ca 0.61 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 1gh5 s VAL 34 Cb -0.32 -1.90 0.06 0.00 0.56 0.00 0.00 36.38 34.78 1gh5 s VAL 34 CO 0.29 -0.70 -0.04 0.00 -0.31 0.00 0.00 175.10 174.34 1gh5 s ALA 35 N -3.38 1.78 -0.22 1.32 0.00 -0.66 -1.10 121.76 119.50 1gh5 s ALA 35 Ca 0.18 -1.22 -0.00 0.00 0.00 0.00 0.00 51.96 50.92 1gh5 s ALA 35 Cb 0.03 -1.37 0.06 0.00 0.00 0.00 0.00 23.12 21.84 1gh5 s ALA 35 CO 0.01 -1.16 -0.03 0.42 0.00 0.00 0.00 175.76 175.00 1gh5 s ILE 36 N 1.48 1.25 -0.15 0.00 1.01 -1.00 -4.41 121.20 119.38 1gh5 s ILE 36 Ca -0.05 -1.03 -0.07 0.00 0.00 0.00 0.00 60.65 59.51 1gh5 s ILE 36 Cb -0.18 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 1gh5 s ILE 36 CO -0.07 -0.12 0.07 -0.31 0.00 0.00 0.00 174.94 174.52 1gh5 s TYR 37 N 1.52 3.33 0.00 3.97 1.51 -1.10 0.40 117.35 126.98 1gh5 s TYR 37 Ca -0.04 0.22 0.00 0.00 -1.01 0.00 0.00 57.07 56.23 1gh5 s TYR 37 Cb -0.18 -2.01 0.00 0.00 -0.11 0.00 0.00 41.96 39.66 1gh5 s TYR 37 CO -0.07 0.34 0.00 0.41 -1.11 0.00 0.00 175.55 175.13 1gh5 n GLY 38 N 2.97 0.85 3.62 0.71 0.00 24.34 -3.98 105.19 133.70 1gh5 n GLY 38 Ca -0.18 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 1gh5 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gh5 s VAL 39 N -2.75 4.49 -0.24 1.61 1.01 -0.97 0.26 120.40 123.82 1gh5 s VAL 39 Ca 0.00 1.50 0.03 0.00 0.00 0.00 0.00 61.98 63.51 1gh5 s VAL 39 Cb 0.00 -4.41 -0.16 0.00 0.00 0.00 0.00 36.38 31.80 1gh5 s VAL 39 CO 0.00 -0.57 -0.19 0.59 0.00 0.00 0.00 175.10 174.93 1gh5 n ASN 40 N 6.97 1.98 -3.53 3.32 5.03 -1.22 0.99 115.26 128.80 1gh5 n ASN 40 Ca 0.10 -0.12 -0.16 0.00 0.87 0.00 0.00 54.58 55.28 1gh5 n ASN 40 Cb 0.48 -0.27 -0.05 0.00 -1.02 0.00 0.00 39.78 38.91 1gh5 n ASN 40 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 1gh5 s TRP 41 N -2.48 -0.58 0.00 3.10 -0.11 -1.09 -2.11 118.94 115.68 1gh5 s TRP 41 Ca -0.31 0.94 0.02 0.00 1.22 0.00 0.00 56.10 57.97 1gh5 s TRP 41 Cb 0.08 0.43 -0.01 0.00 -1.50 0.00 0.00 33.47 32.48 1gh5 s TRP 41 CO 0.58 -0.56 -0.06 0.08 -4.62 0.00 0.00 176.95 172.36 1gh5 s VAL 42 N -1.39 0.49 0.29 5.86 1.01 0.55 -2.40 120.40 124.80 1gh5 s VAL 42 Ca -0.08 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1gh5 s VAL 42 Cb -0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1gh5 s VAL 42 CO 0.06 0.06 0.48 -1.61 0.00 0.00 0.00 175.10 174.08 1gh5 s GLU 43 N -0.36 3.50 -0.47 2.72 2.02 0.28 0.18 118.70 126.57 1gh5 s GLU 43 Ca 0.01 -0.38 0.06 0.00 0.02 0.00 0.00 54.97 54.68 1gh5 s GLU 43 Cb -0.03 -2.74 0.18 0.00 0.10 0.00 0.00 34.13 31.63 1gh5 s GLU 43 CO -0.00 0.27 0.60 -1.12 0.02 0.00 0.00 175.26 175.02 1gh5 s SER 44 N -3.73 -0.61 0.29 -0.19 0.01 0.50 -2.26 113.70 107.71 1gh5 s SER 44 Ca 0.39 -1.84 0.00 0.00 1.31 0.00 0.00 55.95 55.81 1gh5 s SER 44 Cb -0.10 1.30 0.00 0.00 0.21 0.00 0.00 66.02 67.43 1gh5 s SER 44 CO 0.33 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.47 1gh5 n GLY 45 N 3.29 -1.30 2.57 3.44 0.00 -0.50 0.25 105.19 112.95 1gh5 n GLY 45 Ca 0.19 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 1gh5 n GLY 45 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gh5 n ASN 46 N -0.88 2.80 -3.72 1.61 5.15 -1.26 0.39 115.26 119.35 1gh5 n ASN 46 Ca 0.00 -2.08 -0.14 0.00 -0.60 0.00 0.00 54.58 51.76 1gh5 n ASN 46 Cb 0.00 -0.76 -0.09 0.00 -0.53 0.00 0.00 39.78 38.40 1gh5 n ASN 46 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1gh5 s ASN 47 N 3.41 -0.40 -0.23 1.20 4.22 -1.26 -4.88 114.94 117.00 1gh5 s ASN 47 Ca 0.26 0.67 -0.19 0.00 -2.14 0.00 0.00 52.86 51.45 1gh5 s ASN 47 Cb 0.09 0.72 -0.03 0.00 1.28 0.00 0.00 41.25 43.31 1gh5 s ASN 47 CO -0.01 -0.25 0.57 -0.69 -2.04 0.00 0.00 177.10 174.67 1gh5 s VAL 48 N -0.25 5.05 0.00 3.54 1.01 -1.26 -4.25 120.40 124.25 1gh5 s VAL 48 Ca -0.04 1.03 0.02 0.00 0.00 0.00 0.00 61.98 62.98 1gh5 s VAL 48 Cb -0.03 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 1gh5 s VAL 48 CO 0.02 0.11 -0.06 -0.69 0.00 0.00 0.00 175.10 174.48 1gh5 s VAL 49 N 2.04 0.44 -0.18 2.92 1.01 -1.13 -2.89 120.40 122.60 1gh5 s VAL 49 Ca 0.25 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 1gh5 s VAL 49 Cb -0.16 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 1gh5 s VAL 49 CO 0.09 0.07 0.14 -0.89 0.00 0.00 0.00 175.10 174.52 1gh5 s THR 50 N -0.24 5.43 -0.19 3.92 2.01 0.63 -1.87 115.64 125.33 1gh5 s THR 50 Ca 0.01 0.22 -0.04 0.00 0.31 0.00 0.00 61.69 62.19 1gh5 s THR 50 Cb -0.03 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 1gh5 s THR 50 CO -0.00 0.48 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.63 1gh5 s LEU 51 N 0.00 3.18 -0.34 4.42 1.43 -0.58 -1.47 118.68 125.32 1gh5 s LEU 51 Ca 0.10 -0.22 -0.06 0.00 -1.03 0.00 0.00 54.13 52.92 1gh5 s LEU 51 Cb -0.11 -1.80 0.05 0.00 0.03 0.00 0.00 46.19 44.36 1gh5 s LEU 51 CO -0.00 0.08 0.11 -1.10 0.23 0.00 0.00 176.35 175.67 1gh5 s GLN 52 N 0.91 2.57 0.07 1.70 -0.21 -0.83 -2.54 119.66 121.34 1gh5 s GLN 52 Ca 0.00 -1.24 0.02 0.00 0.02 0.00 0.00 55.36 54.17 1gh5 s GLN 52 Cb -0.14 -3.46 -0.03 0.00 1.00 0.00 0.00 33.01 30.37 1gh5 s GLN 52 CO 0.02 -0.70 -0.07 -0.59 -2.12 0.00 0.00 175.29 171.82 1gh5 s PHE 53 N 1.38 0.79 -0.39 0.91 -0.71 -1.10 -1.29 117.98 117.57 1gh5 s PHE 53 Ca -0.01 -0.71 -0.14 0.00 -1.04 0.00 0.00 56.93 55.03 1gh5 s PHE 53 Cb -0.20 -0.46 0.01 0.00 -1.21 0.00 0.00 43.02 41.16 1gh5 s PHE 53 CO 0.02 -0.12 0.27 -1.14 -1.34 0.00 0.00 175.22 172.91 1gh5 s GLN 54 N -2.74 3.08 0.00 1.99 0.74 -1.20 -1.73 119.66 119.81 1gh5 s GLN 54 Ca 0.01 -0.94 0.00 0.00 0.05 0.00 0.00 55.36 54.49 1gh5 s GLN 54 Cb -0.02 -3.89 0.00 0.00 1.10 0.00 0.00 33.01 30.20 1gh5 s GLN 54 CO -0.02 -0.66 0.99 -2.13 -0.55 0.00 0.00 175.29 172.92 1gh5 n ARG 55 N 5.12 0.00 -3.78 1.67 0.63 -0.50 -4.31 116.66 115.48 1gh5 n ARG 55 Ca -0.12 0.74 -0.35 0.00 -0.92 0.00 0.00 57.85 57.20 1gh5 n ARG 55 Cb 0.48 -1.49 -0.05 0.00 0.45 0.00 0.00 32.46 31.84 1gh5 n ARG 55 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1gh5 s ASN 56 N -2.49 6.48 -0.16 6.15 -0.87 -1.25 -4.25 114.94 118.54 1gh5 s ASN 56 Ca 0.00 0.54 -0.22 0.00 -1.57 0.00 0.00 52.86 51.60 1gh5 s ASN 56 Cb 0.00 -2.08 -0.20 0.00 -0.02 0.00 0.00 41.25 38.95 1gh5 s ASN 56 CO 0.00 0.28 0.43 0.25 -2.57 0.00 0.00 177.10 175.49 1gh5 h LEU 57 N 4.15 0.00 -0.70 0.60 5.85 -1.94 -3.35 115.31 119.92 1gh5 h LEU 57 Ca -0.51 -0.66 0.14 0.00 0.84 0.00 0.00 57.88 57.69 1gh5 h LEU 57 Cb 1.20 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.13 1gh5 h LEU 57 CO 0.65 1.14 0.18 -1.28 -0.34 0.00 0.00 178.44 178.79 1gh5 h SER 58 N -1.00 0.05 -3.06 1.25 0.87 -1.99 -3.40 113.55 106.27 1gh5 h SER 58 Ca -0.14 0.13 -0.66 0.00 -1.23 0.00 0.00 61.79 59.89 1gh5 h SER 58 Cb 1.01 0.17 -0.10 0.00 -0.44 0.00 0.00 62.40 63.03 1gh5 h SER 58 CO -0.08 -0.00 -0.57 -0.62 -0.53 0.00 0.00 176.83 175.03 1gh5 s ASP 59 N -5.28 5.74 0.00 6.23 -1.08 -1.26 -4.98 116.67 116.04 1gh5 s ASP 59 Ca -0.13 0.20 -0.02 0.00 -0.52 0.00 0.00 52.55 52.08 1gh5 s ASP 59 Cb 0.20 -1.68 -0.10 0.00 -1.46 0.00 0.00 42.92 39.88 1gh5 s ASP 59 CO 0.75 0.31 1.97 -0.81 0.52 0.00 0.00 175.17 177.91 1gh5 n PRO 60 N 1.42 1.00 -2.31 4.34 -0.04 -1.26 -4.37 135.00 133.77 1gh5 n PRO 60 Ca -0.15 -0.38 -0.35 0.00 -0.04 0.00 0.00 63.50 62.59 1gh5 n PRO 60 Cb 0.53 -1.57 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 1gh5 n PRO 60 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1gh5 s ARG 61 N 1.37 3.15 0.21 0.54 0.52 -1.26 -4.95 118.95 118.54 1gh5 s ARG 61 Ca 0.25 -1.12 -0.30 0.00 -0.52 0.00 0.00 55.73 54.04 1gh5 s ARG 61 Cb 0.12 -5.30 -0.08 0.00 0.52 0.00 0.00 34.95 30.21 1gh5 s ARG 61 CO 0.00 -2.95 1.03 -0.51 0.02 0.00 0.00 175.30 172.89 1gh5 s LEU 62 N 7.58 4.55 -0.02 2.53 2.01 -1.26 -1.41 118.68 132.67 1gh5 s LEU 62 Ca 0.60 2.05 0.02 0.00 0.01 0.00 0.00 54.13 56.80 1gh5 s LEU 62 Cb -0.01 -3.61 0.00 0.00 0.01 0.00 0.00 46.19 42.59 1gh5 s LEU 62 CO 0.02 -0.07 -0.05 -1.61 1.01 0.00 0.00 176.35 175.65 1gh5 s GLU 63 N -0.81 0.57 -0.00 1.70 0.41 -0.70 -4.88 118.70 114.98 1gh5 s GLU 63 Ca 0.45 -0.17 0.07 0.00 -0.41 0.00 0.00 54.97 54.92 1gh5 s GLU 63 Cb -0.28 -0.57 -0.02 0.00 -1.78 0.00 0.00 34.13 31.47 1gh5 s GLU 63 CO 0.35 0.06 -0.23 0.95 -0.49 0.00 0.00 175.26 175.89 1gh5 s THR 64 N 0.22 2.31 -0.03 3.63 -4.23 -1.26 -2.72 115.64 113.57 1gh5 s THR 64 Ca -0.02 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 1gh5 s THR 64 Cb -0.07 -1.86 0.02 0.00 1.34 0.00 0.00 72.50 71.94 1gh5 s THR 64 CO -0.00 0.51 -0.00 -0.51 -0.54 0.00 0.00 174.62 174.08 1gh5 s ILE 65 N -0.70 0.18 -0.24 2.99 2.07 -1.05 -5.01 121.20 119.43 1gh5 s ILE 65 Ca 0.11 0.06 -0.09 0.00 -1.41 0.00 0.00 60.65 59.32 1gh5 s ILE 65 Cb -0.10 -0.27 -0.04 0.00 0.13 0.00 0.00 42.46 42.18 1gh5 s ILE 65 CO 0.01 0.14 0.12 -0.89 -1.91 0.00 0.00 174.94 172.41 1gh5 s THR 66 N 0.92 4.91 -0.22 4.00 2.01 -1.26 -1.53 115.64 124.47 1gh5 s THR 66 Ca -0.09 0.03 -0.14 0.00 0.31 0.00 0.00 61.69 61.80 1gh5 s THR 66 Cb -0.13 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 1gh5 s THR 66 CO -0.02 0.33 0.31 -0.76 -0.69 0.00 0.00 174.62 173.80 1gh5 s LEU 67 N 1.32 4.14 0.00 4.42 1.43 -0.78 -5.00 118.68 124.21 1gh5 s LEU 67 Ca 0.06 0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 53.43 1gh5 s LEU 67 Cb -0.15 -2.36 0.18 0.00 0.03 0.00 0.00 46.19 43.89 1gh5 s LEU 67 CO 0.06 -0.03 1.10 0.00 0.23 0.00 0.00 176.35 177.71 1gh5 n GLN 68 N 4.44 -0.77 -1.68 1.70 1.13 -1.26 -2.85 117.38 118.09 1gh5 n GLN 68 Ca -0.11 -2.11 -0.45 0.00 -1.94 0.00 0.00 57.00 52.39 1gh5 n GLN 68 Cb 0.51 -1.01 -0.04 0.00 0.11 0.00 0.00 30.24 29.81 1gh5 n GLN 68 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1gh5 n LYS 69 N -3.25 2.32 -2.43 -1.09 4.01 -1.26 -0.54 118.16 115.92 1gh5 n LYS 69 Ca 0.15 0.84 -0.19 0.00 -0.51 0.00 0.00 58.31 58.60 1gh5 n LYS 69 Cb 0.53 -2.64 -0.01 0.00 -0.51 0.00 0.00 35.03 32.40 1gh5 n LYS 69 CO 0.00 0.00 0.00 0.91 -1.11 0.00 0.00 177.40 177.20 1gh5 n TRP 70 N 4.06 -1.11 -2.95 2.13 7.02 0.71 -4.81 117.44 122.48 1gh5 n TRP 70 Ca 0.17 0.02 -0.31 0.00 -1.02 0.00 0.00 57.50 56.37 1gh5 n TRP 70 Cb 0.31 -3.78 -0.04 0.00 -2.42 0.00 0.00 31.31 25.38 1gh5 n TRP 70 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1gh5 s GLY 71 N -2.07 2.05 0.07 6.99 0.00 0.20 -4.79 107.32 109.77 1gh5 s GLY 71 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1gh5 s GLY 71 CO 0.01 0.04 -0.05 -0.56 0.00 0.00 0.00 173.10 172.55 1gh5 s SER 72 N -2.91 0.78 -0.02 1.64 0.01 -1.25 0.19 113.70 112.14 1gh5 s SER 72 Ca 0.52 -0.99 0.05 0.00 1.31 0.00 0.00 55.95 56.83 1gh5 s SER 72 Cb -0.10 0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.27 1gh5 s SER 72 CO 0.27 -0.53 -0.15 0.86 0.41 0.00 0.00 173.24 174.10 1gh5 s TRP 73 N -3.73 1.39 -0.44 2.43 -0.00 0.48 -4.81 118.94 114.26 1gh5 s TRP 73 Ca 0.09 -0.28 0.07 0.00 -0.00 0.00 0.00 56.10 55.97 1gh5 s TRP 73 Cb 0.06 -0.91 0.23 0.00 -0.00 0.00 0.00 33.47 32.86 1gh5 s TRP 73 CO -0.07 -0.04 0.66 0.27 -0.00 0.00 0.00 176.95 177.77 1gh5 n ASN 74 N 2.78 -1.46 0.00 5.86 6.94 -1.22 0.21 115.26 128.37 1gh5 n ASN 74 Ca -0.15 -2.92 0.00 0.00 -0.02 0.00 0.00 54.58 51.49 1gh5 n ASN 74 Cb 0.54 0.57 0.00 0.00 -2.36 0.00 0.00 39.78 38.53 1gh5 n ASN 74 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1gh5 n PRO 75 N 1.82 0.00 0.00 -0.53 -0.04 -0.90 -4.90 135.00 130.45 1gh5 n PRO 75 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1gh5 n PRO 75 Cb 0.57 -0.32 0.00 0.00 -0.04 0.00 0.00 33.50 33.70 1gh5 n PRO 75 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gh5 n GLY 76 N 1.71 -1.80 2.28 0.55 0.00 -1.11 -5.00 105.19 101.83 1gh5 n GLY 76 Ca 0.00 0.68 -0.04 0.00 0.00 0.00 0.00 46.02 46.67 1gh5 n GLY 76 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1gh5 n HIS 77 N 0.00 -3.15 -3.47 1.61 -0.00 0.28 -4.87 115.22 105.63 1gh5 n HIS 77 Ca 0.00 1.77 -0.32 0.00 0.46 0.00 0.00 57.72 59.63 1gh5 n HIS 77 Cb 0.00 -3.24 -0.05 0.00 -0.12 0.00 0.00 29.99 26.58 1gh5 n HIS 77 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1gh5 s ILE 78 N -0.57 4.98 0.00 3.57 -1.09 -0.74 -4.28 121.20 123.06 1gh5 s ILE 78 Ca -0.18 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 58.67 1gh5 s ILE 78 Cb 0.01 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 1gh5 s ILE 78 CO 0.56 0.01 0.58 1.57 -1.23 0.00 0.00 174.94 176.43 1gh5 n HIS 79 N 0.07 0.00 -3.53 3.97 -0.00 -1.26 1.81 115.22 116.27 1gh5 n HIS 79 Ca -0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.53 1gh5 n HIS 79 Cb 0.52 -0.08 -0.06 0.00 -0.00 0.00 0.00 29.99 30.37 1gh5 n HIS 79 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 1gh5 s GLU 80 N -1.32 1.03 0.19 1.57 2.12 -1.01 -1.57 118.70 119.71 1gh5 s GLU 80 Ca 0.00 0.34 -0.29 0.00 0.36 0.00 0.00 54.97 55.38 1gh5 s GLU 80 Cb 0.00 0.49 -0.08 0.00 0.26 0.00 0.00 34.13 34.80 1gh5 s GLU 80 CO 0.00 -0.30 0.92 0.42 -0.54 0.00 0.00 175.26 175.76 1gh5 s ILE 81 N -1.01 4.25 -0.10 -3.70 -1.09 1.32 -3.21 121.20 117.67 1gh5 s ILE 81 Ca -0.10 2.02 -0.06 0.00 -2.23 0.00 0.00 60.65 60.28 1gh5 s ILE 81 Cb -0.01 -4.29 -0.02 0.00 -1.58 0.00 0.00 42.46 36.56 1gh5 s ILE 81 CO 0.09 0.45 -0.12 -0.07 -1.23 0.00 0.00 174.94 174.06 1gh5 h LEU 82 N 4.63 0.00 -8.44 2.97 3.38 0.06 -1.65 115.31 116.25 1gh5 h LEU 82 Ca -0.45 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.36 1gh5 h LEU 82 Cb 1.20 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.83 1gh5 h LEU 82 CO 0.69 0.53 -0.38 -0.55 0.09 0.00 0.00 178.44 178.83 1gh5 s SER 83 N -5.11 0.12 -0.05 -0.43 0.15 -0.42 0.57 113.70 108.53 1gh5 s SER 83 Ca -0.10 -1.21 0.01 0.00 0.70 0.00 0.00 55.95 55.35 1gh5 s SER 83 Cb 0.01 0.49 0.02 0.00 -1.71 0.00 0.00 66.02 64.83 1gh5 s SER 83 CO 0.14 -1.00 -0.04 -0.63 1.20 0.00 0.00 173.24 172.91 1gh5 s ILE 84 N -4.02 0.58 -0.10 6.45 1.01 0.25 -1.96 121.20 123.40 1gh5 s ILE 84 Ca 0.31 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.88 1gh5 s ILE 84 Cb 0.03 -0.61 -0.00 0.00 0.01 0.00 0.00 42.46 41.89 1gh5 s ILE 84 CO 0.12 0.25 -0.23 -0.60 0.00 0.00 0.00 174.94 174.47 1gh5 s ARG 85 N 1.09 3.06 -0.08 2.79 3.52 -0.54 -0.76 118.95 128.02 1gh5 s ARG 85 Ca -0.08 -0.86 0.02 0.00 -0.13 0.00 0.00 55.73 54.68 1gh5 s ARG 85 Cb -0.14 -2.33 -0.02 0.00 -1.56 0.00 0.00 34.95 30.90 1gh5 s ARG 85 CO -0.01 0.19 -0.15 0.42 -0.81 0.00 0.00 175.30 174.95 1gh5 s ILE 86 N 0.31 2.97 -2.24 4.11 1.01 -1.09 -0.27 121.20 126.01 1gh5 s ILE 86 Ca -0.17 -0.73 0.30 0.00 0.00 0.00 0.00 60.65 60.05 1gh5 s ILE 86 Cb -0.18 -2.19 0.74 0.00 0.01 0.00 0.00 42.46 40.84 1gh5 s ILE 86 CO 0.08 0.56 2.00 -1.22 0.00 0.00 0.00 174.94 176.37