#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xx8 n VAL 2 N 0.00 3.44 -3.96 2.03 0.24 -1.26 -3.56 118.33 115.25 1xx8 n VAL 2 Ca 0.00 -2.49 -0.08 0.00 -2.04 0.00 0.00 64.34 59.72 1xx8 n VAL 2 Cb 0.00 -0.85 -0.09 0.00 -1.47 0.00 0.00 33.84 31.43 1xx8 n VAL 2 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1xx8 s LYS 3 N -3.59 0.66 -0.42 7.34 -0.14 -1.26 -4.47 119.74 117.86 1xx8 s LYS 3 Ca 0.61 -0.97 -0.19 0.00 -1.36 0.00 0.00 55.97 54.07 1xx8 s LYS 3 Cb 0.50 0.25 0.02 0.00 -1.68 0.00 0.00 37.83 36.92 1xx8 s LYS 3 CO 0.04 -0.17 0.53 0.08 -0.76 0.00 0.00 175.35 175.08 1xx8 s VAL 4 N -3.39 4.97 -0.77 3.17 1.01 -1.26 -4.70 120.40 119.43 1xx8 s VAL 4 Ca 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1xx8 s VAL 4 Cb 0.03 -4.10 0.38 0.00 0.00 0.00 0.00 36.38 32.69 1xx8 s VAL 4 CO -0.08 -0.47 1.93 0.29 0.00 0.00 0.00 175.10 176.76 1xx8 n LYS 5 N 5.90 2.82 -0.80 2.72 5.02 -1.25 -2.85 118.16 129.72 1xx8 n LYS 5 Ca -0.05 -3.59 -0.29 0.00 -2.02 0.00 0.00 58.31 52.36 1xx8 n LYS 5 Cb 0.48 -2.27 0.20 0.00 -0.02 0.00 0.00 35.03 33.41 1xx8 n LYS 5 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1xx8 s PHE 6 N -3.98 1.72 -0.15 2.13 -0.71 -0.90 -4.58 117.98 111.52 1xx8 s PHE 6 Ca 0.54 1.32 -0.03 0.00 -1.04 0.00 0.00 56.93 57.72 1xx8 s PHE 6 Cb 0.45 -3.18 -0.02 0.00 -1.21 0.00 0.00 43.02 39.05 1xx8 s PHE 6 CO -0.32 -3.18 -0.06 0.15 -1.34 0.00 0.00 175.22 170.47 1xx8 s LYS 7 N -4.67 3.60 -0.13 1.99 3.01 -1.26 0.29 119.74 122.58 1xx8 s LYS 7 Ca 0.66 -0.56 -0.01 0.00 -1.01 0.00 0.00 55.97 55.06 1xx8 s LYS 7 Cb -0.22 -2.84 0.03 0.00 -1.01 0.00 0.00 37.83 33.79 1xx8 s LYS 7 CO 0.61 0.23 -0.05 -0.47 0.51 0.00 0.00 175.35 176.18 1xx8 s TYR 8 N 0.36 1.41 0.00 3.18 5.04 0.14 -4.56 117.35 122.93 1xx8 s TYR 8 Ca -0.06 -0.77 0.00 0.00 -2.44 0.00 0.00 57.07 53.80 1xx8 s TYR 8 Cb -0.15 -1.19 0.00 0.00 0.35 0.00 0.00 41.96 40.98 1xx8 s TYR 8 CO 0.04 -0.52 0.00 0.36 -1.34 0.00 0.00 175.55 174.08 1xx8 n LYS 9 N 4.96 0.00 0.00 4.97 -0.00 -1.26 -1.48 118.16 125.34 1xx8 n LYS 9 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.20 1xx8 n LYS 9 Cb 0.49 -3.40 0.00 0.00 -0.00 0.00 0.00 35.03 32.13 1xx8 n LYS 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xx8 n GLY 10 N -2.00 0.86 3.61 2.58 0.00 -1.26 -5.13 105.19 103.85 1xx8 n GLY 10 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1xx8 n GLY 10 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xx8 s GLU 11 N 0.00 2.22 -0.09 1.61 2.02 -0.55 -5.10 118.70 118.81 1xx8 s GLU 11 Ca 0.00 -1.17 -0.28 0.00 0.02 0.00 0.00 54.97 53.53 1xx8 s GLU 11 Cb 0.00 -2.26 -0.02 0.00 0.10 0.00 0.00 34.13 31.95 1xx8 s GLU 11 CO 0.00 0.45 0.95 -2.00 0.02 0.00 0.00 175.26 174.68 1xx8 s GLU 12 N -2.82 4.43 0.09 1.61 2.12 -1.26 0.27 118.70 123.14 1xx8 s GLU 12 Ca 0.26 1.29 0.09 0.00 0.36 0.00 0.00 54.97 56.97 1xx8 s GLU 12 Cb -0.09 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 1xx8 s GLU 12 CO 0.17 -0.23 -0.24 0.21 -0.54 0.00 0.00 175.26 174.63 1xx8 s LYS 13 N 1.74 1.35 -0.23 4.30 2.20 0.14 -4.92 119.74 124.32 1xx8 s LYS 13 Ca 0.46 -1.18 0.02 0.00 -0.36 0.00 0.00 55.97 54.91 1xx8 s LYS 13 Cb -0.18 -1.66 0.05 0.00 -1.51 0.00 0.00 37.83 34.53 1xx8 s LYS 13 CO 0.19 0.40 -0.12 -1.21 -0.36 0.00 0.00 175.35 174.25 1xx8 s GLU 14 N -1.75 2.29 -0.15 4.03 2.02 -1.25 -2.11 118.70 121.78 1xx8 s GLU 14 Ca 0.10 -1.11 -0.08 0.00 0.02 0.00 0.00 54.97 53.90 1xx8 s GLU 14 Cb -0.10 -2.70 -0.04 0.00 0.10 0.00 0.00 34.13 31.39 1xx8 s GLU 14 CO 0.04 -0.47 0.14 0.54 0.02 0.00 0.00 175.26 175.52 1xx8 s VAL 15 N 1.23 5.47 -0.06 2.63 0.11 -1.13 -4.98 120.40 123.66 1xx8 s VAL 15 Ca -0.04 0.20 -0.30 0.00 -2.93 0.00 0.00 61.98 58.91 1xx8 s VAL 15 Cb -0.18 -3.43 -0.03 0.00 -1.53 0.00 0.00 36.38 31.21 1xx8 s VAL 15 CO -0.07 0.55 1.21 -1.81 -3.33 0.00 0.00 175.10 171.64 1xx8 s ASP 16 N -0.47 7.04 0.00 3.54 1.11 -1.26 -4.22 116.67 122.41 1xx8 s ASP 16 Ca 0.12 1.82 0.08 0.00 0.18 0.00 0.00 52.55 54.75 1xx8 s ASP 16 Cb -0.12 -2.56 0.33 0.00 1.07 0.00 0.00 42.92 41.65 1xx8 s ASP 16 CO 0.02 -0.59 1.23 0.41 1.18 0.00 0.00 175.17 177.42 1xx8 n THR 17 N 4.64 1.41 0.13 -1.27 -1.04 -1.26 -0.86 114.28 116.03 1xx8 n THR 17 Ca 0.11 0.35 -0.01 0.00 -2.04 0.00 0.00 64.05 62.47 1xx8 n THR 17 Cb 0.46 -1.22 0.24 0.00 -1.82 0.00 0.00 70.33 67.99 1xx8 n THR 17 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1xx8 h SER 18 N 0.00 0.11 -2.36 8.00 0.02 -2.03 -3.23 113.55 114.06 1xx8 h SER 18 Ca 0.00 -0.05 -0.78 0.00 -0.84 0.00 0.00 61.79 60.12 1xx8 h SER 18 Cb 0.13 -0.03 -0.29 0.00 0.14 0.00 0.00 62.40 62.34 1xx8 h SER 18 CO 0.00 0.57 0.77 0.29 -1.14 0.00 0.00 176.83 177.31 1xx8 n LYS 19 N -3.98 4.98 -4.10 3.45 5.02 -0.04 -4.98 118.16 118.51 1xx8 n LYS 19 Ca -0.02 -4.67 -0.30 0.00 -2.02 0.00 0.00 58.31 51.30 1xx8 n LYS 19 Cb 0.50 -2.45 -0.07 0.00 -0.02 0.00 0.00 35.03 33.00 1xx8 n LYS 19 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1xx8 s ILE 20 N -4.06 4.18 -0.13 -0.18 -1.09 -1.22 -1.15 121.20 117.54 1xx8 s ILE 20 Ca 0.39 -0.93 -0.12 0.00 -2.23 0.00 0.00 60.65 57.75 1xx8 s ILE 20 Cb 0.18 -3.00 -0.05 0.00 -1.58 0.00 0.00 42.46 38.00 1xx8 s ILE 20 CO -0.09 0.11 -0.26 1.17 -1.23 0.00 0.00 174.94 174.65 1xx8 n LYS 21 N 0.51 0.40 -3.75 2.79 3.00 0.19 -4.80 118.16 116.50 1xx8 n LYS 21 Ca -0.10 0.16 -0.13 0.00 -0.00 0.00 0.00 58.31 58.24 1xx8 n LYS 21 Cb 0.52 -1.19 -0.09 0.00 0.00 0.00 0.00 35.03 34.27 1xx8 n LYS 21 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1xx8 s LYS 22 N -2.59 0.56 -0.07 1.64 2.20 -0.53 -4.99 119.74 115.95 1xx8 s LYS 22 Ca -0.23 0.17 0.02 0.00 -0.36 0.00 0.00 55.97 55.57 1xx8 s LYS 22 Cb 0.05 0.26 0.01 0.00 -1.51 0.00 0.00 37.83 36.64 1xx8 s LYS 22 CO 0.32 -0.12 -0.14 0.54 -0.36 0.00 0.00 175.35 175.59 1xx8 s VAL 23 N -0.58 1.28 0.19 4.02 0.11 -1.26 0.71 120.40 124.88 1xx8 s VAL 23 Ca -0.07 -0.56 -0.10 0.00 -2.93 0.00 0.00 61.98 58.33 1xx8 s VAL 23 Cb -0.04 -1.16 -0.01 0.00 -1.53 0.00 0.00 36.38 33.64 1xx8 s VAL 23 CO 0.03 0.39 0.33 0.00 -3.33 0.00 0.00 175.10 172.51 1xx8 s ALA 24 N 0.67 0.00 -0.16 1.54 0.00 -1.24 -5.02 121.76 117.56 1xx8 s ALA 24 Ca -0.14 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 50.79 1xx8 s ALA 24 Cb -0.16 0.96 -0.05 0.00 0.00 0.00 0.00 23.12 23.87 1xx8 s ALA 24 CO 0.04 -0.70 0.18 1.03 0.00 0.00 0.00 175.76 176.31 1xx8 s ARG 25 N -3.99 3.95 0.00 0.00 1.81 -1.26 -3.35 118.95 116.11 1xx8 s ARG 25 Ca 0.20 -0.10 0.00 0.00 -1.72 0.00 0.00 55.73 54.11 1xx8 s ARG 25 Cb 0.02 -3.34 0.00 0.00 -0.45 0.00 0.00 34.95 31.19 1xx8 s ARG 25 CO 0.03 0.46 0.00 1.33 -0.68 0.00 0.00 175.30 176.44 1xx8 n VAL 26 N 2.95 0.00 0.00 3.52 0.24 -1.16 -4.93 118.33 118.96 1xx8 n VAL 26 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1xx8 n VAL 26 Cb 0.53 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 1xx8 n VAL 26 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xx8 n GLY 27 N 4.14 0.25 0.07 7.63 0.00 -1.26 -4.90 105.19 111.13 1xx8 n GLY 27 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1xx8 n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xx8 n LYS 28 N -0.78 0.20 -2.48 1.61 5.02 -1.26 -4.98 118.16 115.50 1xx8 n LYS 28 Ca 0.00 -0.15 -0.04 0.00 -2.02 0.00 0.00 58.31 56.10 1xx8 n LYS 28 Cb 0.00 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.50 1xx8 n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xx8 n MET 29 N -1.27 0.12 -4.00 1.97 0.00 -1.26 -3.96 117.12 108.72 1xx8 n MET 29 Ca 0.06 -0.72 -0.34 0.00 0.00 0.00 0.00 57.70 56.70 1xx8 n MET 29 Cb 0.35 0.58 -0.15 0.00 0.00 0.00 0.00 33.22 34.00 1xx8 n MET 29 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1xx8 s VAL 30 N -2.28 2.76 -0.32 3.17 1.01 0.24 -2.97 120.40 122.02 1xx8 s VAL 30 Ca 0.08 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 1xx8 s VAL 30 Cb 0.00 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 34.13 1xx8 s VAL 30 CO 0.06 0.38 0.09 -0.44 0.00 0.00 0.00 175.10 175.20 1xx8 s SER 31 N 1.36 5.23 0.25 3.32 0.01 -1.21 -0.43 113.70 122.23 1xx8 s SER 31 Ca 0.04 -0.93 0.08 0.00 1.31 0.00 0.00 55.95 56.45 1xx8 s SER 31 Cb -0.15 -1.88 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 1xx8 s SER 31 CO -0.07 -0.26 0.13 0.72 0.41 0.00 0.00 173.24 174.16 1xx8 s PHE 32 N 1.45 2.97 -0.17 2.43 -0.12 0.14 -3.66 117.98 121.03 1xx8 s PHE 32 Ca 0.01 -0.14 -0.03 0.00 -0.05 0.00 0.00 56.93 56.72 1xx8 s PHE 32 Cb -0.18 -1.34 -0.02 0.00 -0.63 0.00 0.00 43.02 40.85 1xx8 s PHE 32 CO 0.03 0.55 -0.07 0.99 -0.05 0.00 0.00 175.22 176.67 1xx8 s THR 33 N -2.17 3.48 0.00 -4.49 2.01 0.22 -1.54 115.64 113.15 1xx8 s THR 33 Ca 0.32 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.83 1xx8 s THR 33 Cb -0.08 -2.53 0.00 0.00 0.01 0.00 0.00 72.50 69.91 1xx8 s THR 33 CO 0.23 0.48 0.00 0.00 -0.69 0.00 0.00 174.62 174.64 1xx8 n TYR 34 N 3.91 0.00 -3.53 4.92 4.11 -0.95 0.56 117.16 126.19 1xx8 n TYR 34 Ca -0.18 0.00 -0.28 0.00 -0.00 0.00 0.00 57.90 57.45 1xx8 n TYR 34 Cb 0.52 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.75 1xx8 n TYR 34 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1xx8 s ASP 35 N 0.40 2.46 0.00 9.48 2.15 -0.30 -3.15 116.67 127.70 1xx8 s ASP 35 Ca 0.00 -3.10 0.00 0.00 0.43 0.00 0.00 52.55 49.88 1xx8 s ASP 35 Cb 0.00 -0.73 0.00 0.00 -0.30 0.00 0.00 42.92 41.89 1xx8 s ASP 35 CO 0.00 -0.17 0.00 -0.67 -0.17 0.00 0.00 175.17 174.16 1xx8 n ASP 36 N 2.84 0.00 -4.77 -0.34 2.03 -1.26 -4.93 116.55 110.12 1xx8 n ASP 36 Ca 0.24 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.20 1xx8 n ASP 36 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 1xx8 n ASP 36 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1xx8 s ASN 37 N -1.00 5.78 -1.15 1.67 6.03 -1.26 -4.91 114.94 120.10 1xx8 s ASN 37 Ca 0.00 2.20 -0.18 0.00 -1.03 0.00 0.00 52.86 53.85 1xx8 s ASN 37 Cb 0.00 -2.58 -0.05 0.00 -3.03 0.00 0.00 41.25 35.59 1xx8 s ASN 37 CO 0.00 -1.18 2.09 0.61 -2.03 0.00 0.00 177.10 176.59 1xx8 n GLY 38 N 0.21 3.57 0.00 0.45 0.00 -1.26 -4.60 105.19 103.55 1xx8 n GLY 38 Ca 0.11 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1xx8 n GLY 38 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xx8 n LYS 39 N 6.52 0.00 -3.12 1.61 2.85 -1.26 -5.09 118.16 119.68 1xx8 n LYS 39 Ca 0.51 0.00 -0.45 0.00 -1.05 0.00 0.00 58.31 57.32 1xx8 n LYS 39 Cb 0.40 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.75 1xx8 n LYS 39 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1xx8 s THR 40 N 0.89 5.08 0.26 0.58 2.01 -1.26 -4.80 115.64 118.40 1xx8 s THR 40 Ca 0.00 -1.78 -0.20 0.00 0.31 0.00 0.00 61.69 60.01 1xx8 s THR 40 Cb 0.00 -4.60 -0.09 0.00 0.01 0.00 0.00 72.50 67.82 1xx8 s THR 40 CO 0.00 -1.24 0.78 -0.83 -0.69 0.00 0.00 174.62 172.63 1xx8 s GLY 41 N 3.08 2.61 -0.14 4.40 0.00 -1.19 -4.98 107.32 111.11 1xx8 s GLY 41 Ca 0.22 0.23 -0.01 0.00 0.00 0.00 0.00 44.72 45.16 1xx8 s GLY 41 CO -0.06 0.59 -0.11 -1.60 0.00 0.00 0.00 173.10 171.92 1xx8 s ARG 42 N -2.13 3.45 -0.07 2.90 6.06 -1.26 -2.23 118.95 125.67 1xx8 s ARG 42 Ca 0.46 -0.65 -0.05 0.00 -2.50 0.00 0.00 55.73 53.00 1xx8 s ARG 42 Cb -0.16 -2.71 0.02 0.00 0.06 0.00 0.00 34.95 32.17 1xx8 s ARG 42 CO 0.21 0.21 0.17 0.20 -2.50 0.00 0.00 175.30 173.59 1xx8 s GLY 43 N 0.38 -0.10 -0.02 8.12 0.00 -0.59 -4.94 107.32 110.16 1xx8 s GLY 43 Ca -0.09 0.58 0.01 0.00 0.00 0.00 0.00 44.72 45.22 1xx8 s GLY 43 CO 0.05 0.64 -0.04 0.00 0.00 0.00 0.00 173.10 173.75 1xx8 s ALA 44 N 0.48 0.46 0.04 3.20 0.00 -1.26 0.26 121.76 124.94 1xx8 s ALA 44 Ca -0.03 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 51.84 1xx8 s ALA 44 Cb -0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1xx8 s ALA 44 CO -0.02 0.06 -0.12 0.08 0.00 0.00 0.00 175.76 175.76 1xx8 s VAL 45 N 0.24 0.91 0.24 0.00 1.01 0.43 -4.00 120.40 119.25 1xx8 s VAL 45 Ca -0.03 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 1xx8 s VAL 45 Cb -0.06 -0.86 -0.09 0.00 0.00 0.00 0.00 36.38 35.37 1xx8 s VAL 45 CO -0.00 -0.09 1.15 -0.94 0.00 0.00 0.00 175.10 175.22 1xx8 s SER 46 N -1.19 7.16 0.57 3.32 1.04 -1.26 0.83 113.70 124.17 1xx8 s SER 46 Ca -0.01 2.28 0.32 0.00 0.48 0.00 0.00 55.95 59.02 1xx8 s SER 46 Cb -0.08 -2.62 1.71 0.00 0.10 0.00 0.00 66.02 65.13 1xx8 s SER 46 CO 0.01 -0.26 2.16 1.05 0.98 0.00 0.00 173.24 177.18 1xx8 h GLU 47 N 4.37 0.00 0.00 4.02 4.11 -1.85 0.31 114.58 125.53 1xx8 h GLU 47 Ca -0.46 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.95 1xx8 h GLU 47 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1xx8 h GLU 47 CO 0.70 0.06 -0.08 0.87 0.07 0.00 0.00 179.01 180.63 1xx8 h LYS 48 N 0.00 0.00 -0.41 1.06 1.57 -1.90 -2.66 116.57 114.22 1xx8 h LYS 48 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1xx8 h LYS 48 Cb 0.22 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1xx8 h LYS 48 CO 0.01 0.08 0.05 -3.47 -0.57 0.00 0.00 179.45 175.54 1xx8 n ASP 49 N -3.23 4.13 -4.63 0.86 2.03 0.11 -4.99 116.55 110.83 1xx8 n ASP 49 Ca 0.00 -3.16 -0.43 0.00 0.52 0.00 0.00 54.79 51.73 1xx8 n ASP 49 Cb 0.33 -0.62 -0.03 0.00 -0.72 0.00 0.00 41.12 40.09 1xx8 n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xx8 s ALA 50 N -2.92 3.24 -0.50 -1.67 0.00 -1.01 -4.87 121.76 114.04 1xx8 s ALA 50 Ca 0.47 0.67 -0.20 0.00 0.00 0.00 0.00 51.96 52.90 1xx8 s ALA 50 Cb 0.38 -3.89 0.05 0.00 0.00 0.00 0.00 23.12 19.66 1xx8 s ALA 50 CO 0.09 -2.02 0.67 -1.25 0.00 0.00 0.00 175.76 173.26 1xx8 s PRO 51 N 4.90 3.18 0.00 0.00 0.04 -1.26 -4.70 135.00 137.17 1xx8 s PRO 51 Ca 0.79 -0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.15 1xx8 s PRO 51 Cb -0.29 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1xx8 s PRO 51 CO 0.32 -1.20 0.00 1.63 0.04 0.00 0.00 177.00 177.79 1xx8 n LYS 52 N 6.36 0.00 -0.35 4.56 5.02 -1.23 0.01 118.16 132.53 1xx8 n LYS 52 Ca -0.04 0.00 0.32 0.00 -2.02 0.00 0.00 58.31 56.57 1xx8 n LYS 52 Cb 0.46 0.00 0.67 0.00 -0.02 0.00 0.00 35.03 36.14 1xx8 n LYS 52 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1xx8 h GLU 53 N 0.00 0.13 0.12 1.97 4.81 -1.78 0.16 114.58 119.99 1xx8 h GLU 53 Ca 0.00 -0.01 -0.34 0.00 -0.13 0.00 0.00 59.36 58.88 1xx8 h GLU 53 Cb 0.00 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1xx8 h GLU 53 CO 0.00 0.09 -1.80 1.25 -0.73 0.00 0.00 179.01 177.81 1xx8 h LEU 54 N 0.14 0.38 -0.91 1.64 5.85 -0.76 -3.33 115.31 118.32 1xx8 h LEU 54 Ca 0.61 -0.71 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1xx8 h LEU 54 Cb 2.10 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.96 1xx8 h LEU 54 CO -0.14 1.62 0.57 0.25 -0.34 0.00 0.00 178.44 180.40 1xx8 h LEU 55 N 0.07 1.08 -1.16 2.25 6.46 -0.74 -1.08 115.31 122.19 1xx8 h LEU 55 Ca -0.35 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.36 1xx8 h LEU 55 Cb 2.04 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 41.70 1xx8 h LEU 55 CO 0.12 0.81 0.00 -0.78 -0.62 0.00 0.00 178.44 177.98 1xx8 h ASP 56 N 1.25 0.00 0.63 1.25 3.58 -1.30 -1.59 116.42 120.24 1xx8 h ASP 56 Ca 0.33 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.61 1xx8 h ASP 56 Cb -0.08 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 1xx8 h ASP 56 CO -0.06 0.00 -0.77 0.24 -2.88 0.00 0.00 179.24 175.77 1xx8 h MET 57 N 0.00 0.10 0.00 0.28 2.86 -1.33 -2.84 114.93 114.00 1xx8 h MET 57 Ca 0.00 -0.10 -0.09 0.00 -2.06 0.00 0.00 59.70 57.45 1xx8 h MET 57 Cb 0.61 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1xx8 h MET 57 CO 0.00 0.82 -0.43 -0.07 1.06 0.00 0.00 176.91 178.29 1xx8 h LEU 58 N 0.06 0.00 -2.08 1.22 -0.00 -0.82 -3.21 115.31 110.49 1xx8 h LEU 58 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1xx8 h LEU 58 Cb 1.35 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.01 1xx8 h LEU 58 CO 0.11 0.43 -0.01 0.00 -0.00 0.00 0.00 178.44 178.97 1xx8 h ALA 59 N 1.57 1.02 0.00 1.53 0.00 -1.06 0.93 119.26 123.25 1xx8 h ALA 59 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xx8 h ALA 59 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xx8 h ALA 59 CO 0.06 0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.86 1xx8 n ARG 60 N -3.13 0.55 0.00 0.00 1.74 -1.21 -1.43 116.66 113.18 1xx8 n ARG 60 Ca -0.01 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1xx8 n ARG 60 Cb 0.21 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1xx8 n ARG 60 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xx8 n ALA 61 N -1.09 1.96 0.07 7.54 0.00 -0.21 -4.64 120.51 124.14 1xx8 n ALA 61 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.42 1xx8 n ALA 61 Cb 0.10 0.28 -0.14 0.00 0.00 0.00 0.00 19.45 19.69 1xx8 n ALA 61 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1xx8 h GLU 62 N 0.00 0.23 -0.00 0.00 4.11 -0.91 -1.05 114.58 116.95 1xx8 h GLU 62 Ca 0.00 -0.39 -0.21 0.00 0.07 0.00 0.00 59.36 58.84 1xx8 h GLU 62 Cb 0.58 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1xx8 h GLU 62 CO 0.00 1.11 -0.89 -0.09 0.07 0.00 0.00 179.01 179.21 1xx8 h ARG 63 N 0.06 0.28 0.00 1.06 2.43 -1.45 -3.38 114.38 113.38 1xx8 h ARG 63 Ca -0.20 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1xx8 h ARG 63 Cb 1.99 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.62 1xx8 h ARG 63 CO 0.17 1.00 0.00 0.39 -1.51 0.00 0.00 179.97 180.02 1xx8 n GLU 64 N -3.70 0.00 0.00 0.20 -0.58 -1.23 -4.94 120.64 110.39 1xx8 n GLU 64 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1xx8 n GLU 64 Cb 0.81 -0.07 0.00 0.00 -0.57 0.00 0.00 31.44 31.61 1xx8 n GLU 64 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1xx8 n LYS 65 N 0.00 0.00 -0.30 3.49 5.02 -0.97 -5.06 118.16 120.34 1xx8 n LYS 65 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xx8 n LYS 65 Cb 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.82 1xx8 n LYS 65 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05