#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xx8 s VAL 2 N 0.00 0.04 0.00 3.17 0.11 -1.26 -5.13 120.40 117.33 1xx8 s VAL 2 Ca 0.00 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.75 1xx8 s VAL 2 Cb 0.00 -0.59 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1xx8 s VAL 2 CO 0.00 -0.17 0.00 0.29 -3.33 0.00 0.00 175.10 171.89 1xx8 n LYS 3 N 1.80 1.18 -3.61 1.54 5.02 -1.26 -4.01 118.16 118.83 1xx8 n LYS 3 Ca -0.19 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.74 1xx8 n LYS 3 Cb 0.57 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.49 1xx8 n LYS 3 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xx8 s VAL 4 N 0.61 5.33 -0.77 -0.18 1.01 -1.26 -4.87 120.40 120.28 1xx8 s VAL 4 Ca 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 1xx8 s VAL 4 Cb 0.00 -3.55 0.39 0.00 0.00 0.00 0.00 36.38 33.23 1xx8 s VAL 4 CO 0.00 0.34 2.02 0.29 0.00 0.00 0.00 175.10 177.75 1xx8 n LYS 5 N 4.24 2.73 -0.63 2.72 5.02 -1.26 -3.40 118.16 127.59 1xx8 n LYS 5 Ca -0.14 -3.43 -0.30 0.00 -2.02 0.00 0.00 58.31 52.42 1xx8 n LYS 5 Cb 0.52 -2.28 0.19 0.00 -0.02 0.00 0.00 35.03 33.44 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 -3.97 1.51 -0.19 2.13 -0.71 -1.26 -4.90 117.98 110.58 1xx8 s PHE 6 Ca 0.58 1.67 -0.09 0.00 -1.04 0.00 0.00 56.93 58.04 1xx8 s PHE 6 Cb 0.47 -3.29 -0.05 0.00 -1.21 0.00 0.00 43.02 38.94 1xx8 s PHE 6 CO -0.24 -3.12 0.12 0.15 -1.34 0.00 0.00 175.22 170.79 1xx8 s LYS 7 N -4.59 4.13 -0.52 1.99 1.02 -1.23 -3.99 119.74 116.56 1xx8 s LYS 7 Ca 0.67 -0.24 0.03 0.00 0.02 0.00 0.00 55.97 56.46 1xx8 s LYS 7 Cb -0.24 -3.38 0.14 0.00 -0.52 0.00 0.00 37.83 33.84 1xx8 s LYS 7 CO 0.60 0.31 0.30 -0.47 -0.92 0.00 0.00 175.35 175.16 1xx8 s TYR 8 N 0.32 2.69 -0.88 3.18 5.04 0.79 -2.83 117.35 125.67 1xx8 s TYR 8 Ca 0.07 -2.88 0.00 0.00 -2.44 0.00 0.00 57.07 51.82 1xx8 s TYR 8 Cb -0.11 -2.35 0.00 0.00 0.35 0.00 0.00 41.96 39.84 1xx8 s TYR 8 CO -0.01 -0.73 0.00 0.36 -1.34 0.00 0.00 175.55 173.83 1xx8 n LYS 9 N 3.05 -2.29 0.00 4.97 -0.00 -1.26 -1.86 118.16 120.77 1xx8 n LYS 9 Ca 0.10 0.50 0.00 0.00 -0.00 0.00 0.00 58.31 58.91 1xx8 n LYS 9 Cb 0.34 -5.05 0.00 0.00 -0.00 0.00 0.00 35.03 30.32 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 -0.71 1.33 3.16 2.58 0.00 -1.26 -5.12 105.19 105.17 1xx8 n GLY 10 Ca -0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 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 1.07 -0.20 1.61 2.02 -0.78 -5.11 118.70 117.31 1xx8 s GLU 11 Ca 0.00 -0.76 -0.22 0.00 0.02 0.00 0.00 54.97 54.02 1xx8 s GLU 11 Cb 0.00 -1.10 -0.02 0.00 0.10 0.00 0.00 34.13 33.11 1xx8 s GLU 11 CO 0.00 0.28 0.67 -1.83 0.02 0.00 0.00 175.26 174.40 1xx8 s GLU 12 N -1.01 4.21 0.00 1.61 -1.05 -1.26 -0.15 118.70 121.06 1xx8 s GLU 12 Ca 0.04 0.68 0.07 0.00 -0.15 0.00 0.00 54.97 55.60 1xx8 s GLU 12 Cb -0.08 -3.59 0.16 0.00 -0.44 0.00 0.00 34.13 30.19 1xx8 s GLU 12 CO 0.01 -0.28 1.08 1.63 0.95 0.00 0.00 175.26 178.65 1xx8 n LYS 13 N 5.18 2.38 -1.34 -4.83 4.76 -1.26 -5.02 118.16 118.04 1xx8 n LYS 13 Ca -0.00 -1.67 0.00 0.00 -2.87 0.00 0.00 58.31 53.77 1xx8 n LYS 13 Cb 0.49 -1.16 0.00 0.00 -1.84 0.00 0.00 35.03 32.52 1xx8 n LYS 13 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1xx8 n GLU 14 N 0.17 -0.56 -4.86 1.97 1.02 -1.23 -4.96 120.64 112.20 1xx8 n GLU 14 Ca 0.07 0.53 -0.30 0.00 -0.02 0.00 0.00 57.16 57.44 1xx8 n GLU 14 Cb 0.32 -0.36 -0.14 0.00 -0.02 0.00 0.00 31.44 31.25 1xx8 n GLU 14 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xx8 s VAL 15 N -0.01 2.35 0.01 2.62 1.01 -1.22 -4.94 120.40 120.23 1xx8 s VAL 15 Ca 0.00 -1.30 -0.30 0.00 0.00 0.00 0.00 61.98 60.38 1xx8 s VAL 15 Cb 0.00 -1.93 -0.06 0.00 0.00 0.00 0.00 36.38 34.39 1xx8 s VAL 15 CO 0.00 0.38 1.39 1.51 0.00 0.00 0.00 175.10 178.37 1xx8 s ASP 16 N -1.25 6.86 0.00 3.32 -4.77 -1.26 -4.02 116.67 115.55 1xx8 s ASP 16 Ca 0.12 2.11 0.23 0.00 -3.30 0.00 0.00 52.55 51.72 1xx8 s ASP 16 Cb -0.10 -2.56 1.29 0.00 -1.09 0.00 0.00 42.92 40.45 1xx8 s ASP 16 CO 0.03 -0.70 1.77 0.35 0.70 0.00 0.00 175.17 177.31 1xx8 n THR 17 N 4.60 0.14 -0.01 2.11 -2.24 -1.26 -2.53 114.28 115.09 1xx8 n THR 17 Ca 0.13 0.04 -0.15 0.00 -2.27 0.00 0.00 64.05 61.80 1xx8 n THR 17 Cb 0.44 -0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 67.97 1xx8 n THR 17 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1xx8 h SER 18 N 0.00 0.82 -1.02 3.42 0.02 -1.93 -3.09 113.55 111.77 1xx8 h SER 18 Ca 0.00 -0.52 -0.60 0.00 -0.84 0.00 0.00 61.79 59.84 1xx8 h SER 18 Cb 0.10 -0.24 -0.14 0.00 0.14 0.00 0.00 62.40 62.26 1xx8 h SER 18 CO 0.00 1.30 1.36 0.29 -1.14 0.00 0.00 176.83 178.64 1xx8 n LYS 19 N -3.92 3.41 -2.78 3.45 5.02 -1.05 -4.95 118.16 117.34 1xx8 n LYS 19 Ca -0.06 -2.78 -0.26 0.00 -2.02 0.00 0.00 58.31 53.20 1xx8 n LYS 19 Cb 0.72 -2.37 0.01 0.00 -0.02 0.00 0.00 35.03 33.36 1xx8 n LYS 19 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1xx8 s ILE 20 N -1.46 4.41 -0.27 -0.18 1.10 -1.17 0.80 121.20 124.43 1xx8 s ILE 20 Ca 0.58 -0.13 0.18 0.00 -0.51 0.00 0.00 60.65 60.77 1xx8 s ILE 20 Cb 0.29 -3.67 0.49 0.00 0.15 0.00 0.00 42.46 39.72 1xx8 s ILE 20 CO -0.15 -0.58 1.13 0.29 -2.11 0.00 0.00 174.94 173.52 1xx8 n LYS 21 N -2.22 2.31 -0.25 3.50 5.02 0.20 -4.48 118.16 122.23 1xx8 n LYS 21 Ca 0.01 -3.71 0.01 0.00 -2.02 0.00 0.00 58.31 52.60 1xx8 n LYS 21 Cb 0.56 -1.81 -0.01 0.00 -0.02 0.00 0.00 35.03 33.75 1xx8 n LYS 21 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xx8 n LYS 22 N -0.63 -0.62 -4.59 1.97 4.01 -1.24 -4.27 118.16 112.78 1xx8 n LYS 22 Ca 0.18 0.49 -0.25 0.00 -0.51 0.00 0.00 58.31 58.22 1xx8 n LYS 22 Cb 0.85 -0.65 -0.14 0.00 -0.51 0.00 0.00 35.03 34.58 1xx8 n LYS 22 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1xx8 s VAL 23 N -3.78 1.66 0.00 -0.18 1.01 -1.26 -1.17 120.40 116.67 1xx8 s VAL 23 Ca 0.00 -1.24 -0.06 0.00 0.00 0.00 0.00 61.98 60.68 1xx8 s VAL 23 Cb 0.00 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.92 1xx8 s VAL 23 CO 0.00 0.17 0.11 0.00 0.00 0.00 0.00 175.10 175.37 1xx8 s ALA 24 N -0.85 -0.24 0.16 5.51 0.00 -0.54 -4.99 121.76 120.81 1xx8 s ALA 24 Ca 0.07 -0.18 0.05 0.00 0.00 0.00 0.00 51.96 51.90 1xx8 s ALA 24 Cb -0.09 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1xx8 s ALA 24 CO 0.02 -0.19 0.13 1.03 0.00 0.00 0.00 175.76 176.76 1xx8 s ARG 25 N -1.29 2.90 0.00 0.00 0.52 -1.26 -0.67 118.95 119.15 1xx8 s ARG 25 Ca -0.14 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.21 1xx8 s ARG 25 Cb -0.08 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 32.75 1xx8 s ARG 25 CO 0.01 0.49 0.00 1.33 0.02 0.00 0.00 175.30 177.15 1xx8 n VAL 26 N -0.32 0.00 0.00 3.52 0.24 -1.15 -4.91 118.33 115.71 1xx8 n VAL 26 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1xx8 n VAL 26 Cb 0.55 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.49 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 3.77 0.19 0.78 7.63 0.00 -1.26 -4.93 105.19 111.37 1xx8 n GLY 27 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.36 1.77 -4.37 1.61 4.76 -1.26 -4.99 118.16 114.32 1xx8 n LYS 28 Ca 0.00 -1.65 -0.19 0.00 -2.87 0.00 0.00 58.31 53.61 1xx8 n LYS 28 Cb 0.00 -1.38 -0.10 0.00 -1.84 0.00 0.00 35.03 31.70 1xx8 n LYS 28 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xx8 s MET 29 N -1.70 1.47 -0.20 1.97 0.23 -1.26 -2.27 119.30 117.54 1xx8 s MET 29 Ca 0.23 -1.78 -0.02 0.00 -1.03 0.00 0.00 55.69 53.09 1xx8 s MET 29 Cb 0.17 -0.66 0.00 0.00 -1.53 0.00 0.00 34.83 32.81 1xx8 s MET 29 CO 0.26 -0.16 -0.10 0.08 -2.03 0.00 0.00 175.02 173.07 1xx8 s VAL 30 N -3.42 2.86 -0.40 5.16 1.01 0.24 -2.92 120.40 122.92 1xx8 s VAL 30 Ca 0.33 -0.67 -0.08 0.00 0.00 0.00 0.00 61.98 61.57 1xx8 s VAL 30 Cb 0.07 -2.27 0.08 0.00 0.00 0.00 0.00 36.38 34.26 1xx8 s VAL 30 CO 0.12 0.47 0.23 -0.94 0.00 0.00 0.00 175.10 174.98 1xx8 s SER 31 N 1.40 5.53 0.30 3.32 1.04 0.16 -2.28 113.70 123.17 1xx8 s SER 31 Ca 0.05 -1.50 0.09 0.00 0.48 0.00 0.00 55.95 55.07 1xx8 s SER 31 Cb -0.14 -1.95 -0.05 0.00 0.10 0.00 0.00 66.02 63.99 1xx8 s SER 31 CO -0.07 -0.50 0.00 0.72 0.98 0.00 0.00 173.24 174.37 1xx8 s PHE 32 N 1.39 2.61 0.06 5.02 -0.71 -0.92 -1.46 117.98 123.95 1xx8 s PHE 32 Ca 0.03 -0.33 0.07 0.00 -1.04 0.00 0.00 56.93 55.66 1xx8 s PHE 32 Cb -0.22 -1.34 -0.03 0.00 -1.21 0.00 0.00 43.02 40.21 1xx8 s PHE 32 CO 0.01 0.54 -0.16 0.99 -1.34 0.00 0.00 175.22 175.27 1xx8 s THR 33 N -2.42 2.98 0.05 -4.49 2.01 -0.32 -2.70 115.64 110.74 1xx8 s THR 33 Ca 0.33 -1.20 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 1xx8 s THR 33 Cb -0.04 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 1xx8 s THR 33 CO 0.20 0.27 -0.00 -0.72 -0.69 0.00 0.00 174.62 173.68 1xx8 s TYR 34 N -1.01 0.43 -0.16 4.92 -0.85 -0.27 0.59 117.35 121.01 1xx8 s TYR 34 Ca 0.16 -0.92 -0.17 0.00 -0.52 0.00 0.00 57.07 55.62 1xx8 s TYR 34 Cb -0.11 -0.32 -0.04 0.00 0.38 0.00 0.00 41.96 41.87 1xx8 s TYR 34 CO 0.07 -0.37 0.43 0.34 -1.52 0.00 0.00 175.55 174.50 1xx8 s ASP 35 N -2.69 6.56 -0.05 -0.18 2.15 0.24 -2.26 116.67 120.44 1xx8 s ASP 35 Ca 0.03 0.66 0.17 0.00 0.43 0.00 0.00 52.55 53.85 1xx8 s ASP 35 Cb 0.05 -2.26 -0.26 0.00 -0.30 0.00 0.00 42.92 40.15 1xx8 s ASP 35 CO -0.09 -0.03 0.34 -0.90 -0.17 0.00 0.00 175.17 174.32 1xx8 n ASP 36 N 4.05 0.94 0.00 -0.34 5.68 -1.26 -4.85 116.55 120.78 1xx8 n ASP 36 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 1xx8 n ASP 36 Cb 0.51 1.67 0.00 0.00 -1.14 0.00 0.00 41.12 42.17 1xx8 n ASP 36 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1xx8 n ASN 37 N -2.19 0.00 0.00 -1.12 2.04 -1.26 -4.93 115.26 107.80 1xx8 n ASN 37 Ca -0.07 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.07 1xx8 n ASN 37 Cb 0.55 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.80 1xx8 n ASN 37 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1xx8 n GLY 38 N 0.00 -0.09 3.95 4.83 0.00 -1.26 -5.16 105.19 107.47 1xx8 n GLY 38 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1xx8 n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xx8 s LYS 39 N 0.00 3.46 -1.15 1.61 2.20 -1.26 -5.02 119.74 119.58 1xx8 s LYS 39 Ca 0.00 -0.56 -0.20 0.00 -0.36 0.00 0.00 55.97 54.85 1xx8 s LYS 39 Cb 0.00 -2.80 0.07 0.00 -1.51 0.00 0.00 37.83 33.59 1xx8 s LYS 39 CO 0.00 0.32 1.57 0.99 -0.36 0.00 0.00 175.35 177.87 1xx8 s THR 40 N -2.10 4.10 0.20 3.43 2.01 -1.26 -4.07 115.64 117.95 1xx8 s THR 40 Ca 0.37 -1.41 -0.30 0.00 0.31 0.00 0.00 61.69 60.65 1xx8 s THR 40 Cb -0.09 -5.11 -0.08 0.00 0.01 0.00 0.00 72.50 67.23 1xx8 s THR 40 CO 0.32 -1.95 1.07 -0.83 -0.69 0.00 0.00 174.62 172.54 1xx8 s GLY 41 N 4.48 2.93 -0.06 4.40 0.00 -0.96 -4.95 107.32 113.15 1xx8 s GLY 41 Ca 0.49 0.79 0.00 0.00 0.00 0.00 0.00 44.72 46.00 1xx8 s GLY 41 CO -0.01 1.56 -0.04 0.50 0.00 0.00 0.00 173.10 175.11 1xx8 s ARG 42 N -0.62 0.91 0.08 2.90 1.81 -1.26 -1.12 118.95 121.65 1xx8 s ARG 42 Ca 0.47 -0.08 0.02 0.00 -1.72 0.00 0.00 55.73 54.43 1xx8 s ARG 42 Cb -0.29 -1.02 -0.03 0.00 -0.45 0.00 0.00 34.95 33.15 1xx8 s ARG 42 CO 0.35 -0.17 -0.08 0.20 -0.68 0.00 0.00 175.30 174.92 1xx8 s GLY 43 N 1.35 0.69 -0.07 -3.53 0.00 -1.10 -4.94 107.32 99.72 1xx8 s GLY 43 Ca -0.04 -1.10 -0.05 0.00 0.00 0.00 0.00 44.72 43.52 1xx8 s GLY 43 CO -0.03 -1.18 0.19 0.00 0.00 0.00 0.00 173.10 172.08 1xx8 s ALA 44 N -2.55 -0.43 0.07 3.20 0.00 -1.13 -2.17 121.76 118.75 1xx8 s ALA 44 Ca 0.03 0.63 -0.05 0.00 0.00 0.00 0.00 51.96 52.56 1xx8 s ALA 44 Cb -0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1xx8 s ALA 44 CO -0.02 -0.12 0.09 0.54 0.00 0.00 0.00 175.76 176.25 1xx8 s VAL 45 N 0.51 0.17 0.36 0.00 0.11 -0.97 -3.56 120.40 117.02 1xx8 s VAL 45 Ca -0.03 -1.41 -0.27 0.00 -2.93 0.00 0.00 61.98 57.33 1xx8 s VAL 45 Cb -0.05 -1.34 -0.09 0.00 -1.53 0.00 0.00 36.38 33.37 1xx8 s VAL 45 CO -0.03 -0.78 1.21 -0.94 -3.33 0.00 0.00 175.10 171.24 1xx8 s SER 46 N -2.76 6.71 0.31 3.54 1.04 -1.26 0.79 113.70 122.07 1xx8 s SER 46 Ca 0.04 2.47 -0.01 0.00 0.48 0.00 0.00 55.95 58.93 1xx8 s SER 46 Cb 0.05 -2.63 0.49 0.00 0.10 0.00 0.00 66.02 64.04 1xx8 s SER 46 CO -0.10 -0.56 1.95 -0.08 0.98 0.00 0.00 173.24 175.44 1xx8 h GLU 47 N 3.08 0.96 0.00 4.02 4.81 -1.74 0.16 114.58 125.87 1xx8 h GLU 47 Ca -0.48 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 1xx8 h GLU 47 Cb 1.23 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1xx8 h GLU 47 CO 0.64 0.67 0.00 1.57 -0.73 0.00 0.00 179.01 181.17 1xx8 h LYS 48 N 0.98 0.00 -0.47 1.92 2.10 -1.91 -2.12 116.57 117.06 1xx8 h LYS 48 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 1xx8 h LYS 48 Cb -0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 1xx8 h LYS 48 CO -0.05 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.15 1xx8 n ASP 49 N -2.53 4.29 -4.68 7.07 8.00 0.56 -4.97 116.55 124.28 1xx8 n ASP 49 Ca -0.01 -2.58 -0.42 0.00 0.71 0.00 0.00 54.79 52.48 1xx8 n ASP 49 Cb 0.09 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.65 1xx8 n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xx8 s ALA 50 N -2.08 3.57 -0.43 2.24 0.00 -0.80 -4.94 121.76 119.32 1xx8 s ALA 50 Ca 0.44 0.61 -0.20 0.00 0.00 0.00 0.00 51.96 52.81 1xx8 s ALA 50 Cb 0.30 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.87 1xx8 s ALA 50 CO 0.17 -0.94 0.61 -1.25 0.00 0.00 0.00 175.76 174.35 1xx8 s PRO 51 N 2.74 3.28 0.00 0.00 0.05 -1.26 -4.74 135.00 135.07 1xx8 s PRO 51 Ca 0.57 -0.40 0.00 0.00 0.05 0.00 0.00 61.00 61.22 1xx8 s PRO 51 Cb -0.25 -3.94 0.00 0.00 0.05 0.00 0.00 34.50 30.36 1xx8 s PRO 51 CO 0.20 -0.96 0.00 1.17 0.05 0.00 0.00 177.00 177.46 1xx8 n LYS 52 N 6.13 0.00 -0.27 4.56 4.81 -1.26 -0.16 118.16 131.98 1xx8 n LYS 52 Ca -0.03 0.00 0.32 0.00 -0.87 0.00 0.00 58.31 57.73 1xx8 n LYS 52 Cb 0.48 0.00 0.72 0.00 0.02 0.00 0.00 35.03 36.25 1xx8 n LYS 52 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1xx8 h GLU 53 N 0.00 0.03 0.07 1.64 3.07 -1.93 0.87 114.58 118.34 1xx8 h GLU 53 Ca 0.00 -0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.56 1xx8 h GLU 53 Cb 0.00 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 1xx8 h GLU 53 CO 0.00 0.02 -1.61 1.25 -1.40 0.00 0.00 179.01 177.27 1xx8 h LEU 54 N 0.03 0.24 -1.92 1.33 5.85 -0.87 -3.34 115.31 116.63 1xx8 h LEU 54 Ca 0.51 -0.76 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 1xx8 h LEU 54 Cb 1.99 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.94 1xx8 h LEU 54 CO -0.03 1.68 -0.12 0.25 -0.34 0.00 0.00 178.44 179.88 1xx8 h LEU 55 N -0.42 0.00 -0.39 2.25 6.46 -1.07 -1.84 115.31 120.29 1xx8 h LEU 55 Ca -0.38 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.23 1xx8 h LEU 55 Cb 1.70 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.62 1xx8 h LEU 55 CO -0.04 0.12 -0.36 -0.78 -0.62 0.00 0.00 178.44 176.76 1xx8 h ASP 56 N 0.00 1.00 0.00 1.25 1.82 0.51 0.18 116.42 121.18 1xx8 h ASP 56 Ca -0.00 -0.46 -0.39 0.00 -0.39 0.00 0.00 57.03 55.79 1xx8 h ASP 56 Cb 0.29 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.00 1xx8 h ASP 56 CO 0.02 1.25 1.60 0.23 -1.61 0.00 0.00 179.24 180.73 1xx8 n MET 57 N -4.08 2.59 0.00 0.28 2.81 -0.69 -2.75 117.12 115.28 1xx8 n MET 57 Ca -0.02 -1.47 0.00 0.00 -1.81 0.00 0.00 57.70 54.40 1xx8 n MET 57 Cb 0.53 -2.33 0.00 0.00 -0.71 0.00 0.00 33.22 30.71 1xx8 n MET 57 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1xx8 n LEU 58 N 3.11 0.00 0.27 4.03 -0.00 -1.20 -4.50 117.00 118.70 1xx8 n LEU 58 Ca 0.55 0.00 0.17 0.00 -0.00 0.00 0.00 56.01 56.73 1xx8 n LEU 58 Cb 0.53 0.00 0.63 0.00 -0.00 0.00 0.00 43.42 44.59 1xx8 n LEU 58 CO 0.47 0.00 0.98 0.00 -0.00 0.00 0.00 177.39 178.84 1xx8 h ALA 59 N 0.00 1.00 0.00 1.96 0.00 -0.46 -2.91 119.26 118.85 1xx8 h ALA 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xx8 h ALA 59 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xx8 h ALA 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1xx8 n ARG 60 N -3.09 0.70 0.00 0.00 5.12 -1.11 -3.37 116.66 114.90 1xx8 n ARG 60 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1xx8 n ARG 60 Cb 0.33 -1.23 0.00 0.00 -1.16 0.00 0.00 32.46 30.40 1xx8 n ARG 60 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xx8 n ALA 61 N -0.07 0.27 0.70 7.54 0.00 -1.17 -4.94 120.51 122.84 1xx8 n ALA 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xx8 n ALA 61 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1xx8 n ALA 61 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1xx8 n GLU 62 N -0.40 0.70 -2.68 0.00 0.28 -1.11 -3.45 120.64 113.98 1xx8 n GLU 62 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.92 1xx8 n GLU 62 Cb 0.00 -1.19 0.08 0.00 1.43 0.00 0.00 31.44 31.76 1xx8 n GLU 62 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1xx8 n ARG 63 N 0.54 1.18 0.00 3.44 1.74 -1.26 -4.84 116.66 117.47 1xx8 n ARG 63 Ca 0.00 -2.44 0.00 0.00 -0.77 0.00 0.00 57.85 54.64 1xx8 n ARG 63 Cb 0.31 -0.56 0.00 0.00 -1.02 0.00 0.00 32.46 31.19 1xx8 n ARG 63 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1xx8 n GLU 64 N -0.38 0.00 -3.78 5.56 2.13 -1.22 -5.10 120.64 117.85 1xx8 n GLU 64 Ca 0.02 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.71 1xx8 n GLU 64 Cb 0.84 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.42 1xx8 n GLU 64 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1xx8 s LYS 65 N -1.94 0.20 0.00 5.31 3.01 -1.24 -5.22 119.74 119.86 1xx8 s LYS 65 Ca 0.00 0.36 0.00 0.00 -1.01 0.00 0.00 55.97 55.32 1xx8 s LYS 65 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 37.83 36.82 1xx8 s LYS 65 CO 0.00 -0.09 0.00 1.17 0.51 0.00 0.00 175.35 176.94