#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 -0.06 0.00 1.12 0.11 -1.26 -5.16 120.40 115.15 1xx8 s VAL 2 Ca 0.00 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 1xx8 s VAL 2 Cb 0.00 -0.80 0.00 0.00 -1.53 0.00 0.00 36.38 34.05 1xx8 s VAL 2 CO 0.00 0.02 0.00 0.29 -3.33 0.00 0.00 175.10 172.08 1xx8 n LYS 3 N 4.36 0.00 -3.39 1.54 4.76 -1.26 -4.63 118.16 119.54 1xx8 n LYS 3 Ca -0.21 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.80 1xx8 n LYS 3 Cb 0.57 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.67 1xx8 n LYS 3 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1xx8 s VAL 4 N -1.17 5.18 -0.55 -0.18 1.01 -1.26 -4.79 120.40 118.64 1xx8 s VAL 4 Ca 0.00 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.39 1xx8 s VAL 4 Cb 0.00 -4.02 0.36 0.00 0.00 0.00 0.00 36.38 32.71 1xx8 s VAL 4 CO 0.00 -0.42 0.98 1.17 0.00 0.00 0.00 175.10 176.83 1xx8 n LYS 5 N 5.35 3.28 -1.58 2.72 0.00 -1.26 -1.44 118.16 125.22 1xx8 n LYS 5 Ca -0.10 -4.80 -0.35 0.00 0.00 0.00 0.00 58.31 53.07 1xx8 n LYS 5 Cb 0.46 -2.24 0.08 0.00 0.00 0.00 0.00 35.03 33.33 1xx8 n LYS 5 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 1xx8 s PHE 6 N -3.49 2.15 -0.43 5.64 -0.71 -1.22 -4.90 117.98 115.01 1xx8 s PHE 6 Ca 0.49 1.57 -0.20 0.00 -1.04 0.00 0.00 56.93 57.75 1xx8 s PHE 6 Cb 0.30 -3.48 0.02 0.00 -1.21 0.00 0.00 43.02 38.66 1xx8 s PHE 6 CO -0.15 -2.52 0.61 0.21 -1.34 0.00 0.00 175.22 172.03 1xx8 s LYS 7 N -3.77 3.25 -0.27 1.99 2.20 -1.26 -3.70 119.74 118.17 1xx8 s LYS 7 Ca 0.75 -0.44 -0.01 0.00 -0.36 0.00 0.00 55.97 55.91 1xx8 s LYS 7 Cb -0.30 -3.95 0.04 0.00 -1.51 0.00 0.00 37.83 32.11 1xx8 s LYS 7 CO 0.42 -0.98 -0.03 -0.47 -0.36 0.00 0.00 175.35 173.93 1xx8 s TYR 8 N 2.69 3.18 0.00 4.03 5.04 -1.26 -4.08 117.35 126.95 1xx8 s TYR 8 Ca 0.21 -1.76 0.00 0.00 -2.44 0.00 0.00 57.07 53.08 1xx8 s TYR 8 Cb -0.15 -2.07 0.00 0.00 0.35 0.00 0.00 41.96 40.09 1xx8 s TYR 8 CO 0.18 -0.78 0.00 1.17 -1.34 0.00 0.00 175.55 174.78 1xx8 n LYS 9 N 4.63 -0.76 0.00 4.97 3.00 -1.26 -1.73 118.16 127.01 1xx8 n LYS 9 Ca -0.15 0.19 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1xx8 n LYS 9 Cb 0.45 -3.96 0.00 0.00 0.00 0.00 0.00 35.03 31.52 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 -1.15 2.67 0.14 3.14 0.00 -1.26 -4.89 105.19 103.84 1xx8 n GLY 10 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1xx8 n GLY 10 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1xx8 h GLU 11 N 2.02 0.00 -2.63 1.61 4.11 -1.71 -3.49 114.58 114.49 1xx8 h GLU 11 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xx8 h GLU 11 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xx8 h GLU 11 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.47 1xx8 n GLU 12 N -2.46 0.00 -4.13 1.06 1.02 -1.24 -5.00 120.64 109.88 1xx8 n GLU 12 Ca 0.05 0.44 -0.11 0.00 -0.02 0.00 0.00 57.16 57.52 1xx8 n GLU 12 Cb 0.41 -0.88 -0.09 0.00 -0.02 0.00 0.00 31.44 30.87 1xx8 n GLU 12 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1xx8 s LYS 13 N -0.37 1.20 0.23 3.49 -2.85 -1.24 -4.99 119.74 115.20 1xx8 s LYS 13 Ca 0.00 -1.48 0.11 0.00 -1.00 0.00 0.00 55.97 53.59 1xx8 s LYS 13 Cb 0.00 0.31 -0.05 0.00 -2.06 0.00 0.00 37.83 36.03 1xx8 s LYS 13 CO 0.00 -0.41 -0.20 -1.83 0.10 0.00 0.00 175.35 173.01 1xx8 s GLU 14 N -4.10 1.52 0.06 1.78 1.03 -1.26 -3.45 118.70 114.29 1xx8 s GLU 14 Ca 0.31 -1.63 -0.10 0.00 0.03 0.00 0.00 54.97 53.59 1xx8 s GLU 14 Cb 0.05 -1.62 0.00 0.00 -0.80 0.00 0.00 34.13 31.77 1xx8 s GLU 14 CO 0.08 0.31 0.21 0.54 -1.33 0.00 0.00 175.26 175.08 1xx8 s VAL 15 N -2.31 0.12 0.00 1.83 0.11 -0.52 -5.00 120.40 114.62 1xx8 s VAL 15 Ca 0.24 -0.98 0.00 0.00 -2.93 0.00 0.00 61.98 58.32 1xx8 s VAL 15 Cb -0.05 -1.09 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 1xx8 s VAL 15 CO 0.11 -0.54 0.00 -0.67 -3.33 0.00 0.00 175.10 170.67 1xx8 n ASP 16 N 0.36 0.00 0.00 3.54 2.03 -1.26 -4.06 116.55 117.15 1xx8 n ASP 16 Ca -0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.14 1xx8 n ASP 16 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 1xx8 n ASP 16 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1xx8 n THR 17 N -0.50 0.00 0.20 5.18 -1.04 -1.26 -4.71 114.28 112.16 1xx8 n THR 17 Ca 0.00 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.07 1xx8 n THR 17 Cb 0.00 1.16 0.42 0.00 -1.82 0.00 0.00 70.33 70.08 1xx8 n THR 17 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1xx8 h SER 18 N 0.00 0.00 -1.88 8.00 0.87 -2.03 -3.27 113.55 115.23 1xx8 h SER 18 Ca 0.00 0.00 -0.78 0.00 -1.23 0.00 0.00 61.79 59.78 1xx8 h SER 18 Cb 0.50 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.26 1xx8 h SER 18 CO 0.00 0.33 1.61 0.29 -0.53 0.00 0.00 176.83 178.53 1xx8 n LYS 19 N -3.66 4.56 -4.35 2.24 5.02 -1.26 -4.95 118.16 115.76 1xx8 n LYS 19 Ca -0.01 -4.03 -0.34 0.00 -2.02 0.00 0.00 58.31 51.91 1xx8 n LYS 19 Cb 0.44 -2.63 -0.09 0.00 -0.02 0.00 0.00 35.03 32.72 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 -1.98 4.29 -0.01 -0.18 -1.09 -1.24 -4.35 121.20 116.64 1xx8 s ILE 20 Ca 0.42 -0.34 -0.04 0.00 -2.23 0.00 0.00 60.65 58.46 1xx8 s ILE 20 Cb 0.13 -2.83 -0.02 0.00 -1.58 0.00 0.00 42.46 38.16 1xx8 s ILE 20 CO -0.03 0.54 -0.08 1.17 -1.23 0.00 0.00 174.94 175.31 1xx8 n LYS 21 N 1.93 0.13 -3.80 2.79 3.00 0.11 -4.92 118.16 117.40 1xx8 n LYS 21 Ca -0.17 0.05 -0.13 0.00 -0.00 0.00 0.00 58.31 58.07 1xx8 n LYS 21 Cb 0.53 -0.73 -0.12 0.00 0.00 0.00 0.00 35.03 34.71 1xx8 n LYS 21 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1xx8 s LYS 22 N -2.18 0.20 -0.15 1.64 1.02 -1.07 -4.97 119.74 114.24 1xx8 s LYS 22 Ca -0.08 0.26 0.01 0.00 0.02 0.00 0.00 55.97 56.19 1xx8 s LYS 22 Cb 0.02 0.08 0.02 0.00 -0.52 0.00 0.00 37.83 37.43 1xx8 s LYS 22 CO 0.11 -0.04 -0.17 0.08 -0.92 0.00 0.00 175.35 174.41 1xx8 s VAL 23 N 0.19 1.77 0.16 3.17 1.01 -1.26 0.75 120.40 126.18 1xx8 s VAL 23 Ca -0.01 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 1xx8 s VAL 23 Cb -0.02 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 1xx8 s VAL 23 CO -0.00 0.49 0.20 0.00 0.00 0.00 0.00 175.10 175.79 1xx8 s ALA 24 N 1.22 0.42 0.08 5.51 0.00 -0.86 -4.93 121.76 123.21 1xx8 s ALA 24 Ca 0.01 -1.19 0.07 0.00 0.00 0.00 0.00 51.96 50.85 1xx8 s ALA 24 Cb -0.14 0.95 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 1xx8 s ALA 24 CO -0.08 -0.60 -0.13 0.50 0.00 0.00 0.00 175.76 175.45 1xx8 s ARG 25 N -4.02 2.11 0.00 0.00 3.52 -1.26 -0.22 118.95 119.08 1xx8 s ARG 25 Ca 0.23 -1.00 0.00 0.00 -0.13 0.00 0.00 55.73 54.82 1xx8 s ARG 25 Cb 0.05 -2.27 0.00 0.00 -1.56 0.00 0.00 34.95 31.16 1xx8 s ARG 25 CO 0.03 0.52 0.00 1.33 -0.81 0.00 0.00 175.30 176.37 1xx8 n VAL 26 N 1.00 0.00 0.00 7.11 0.24 -0.71 -4.87 118.33 121.10 1xx8 n VAL 26 Ca -0.15 0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1xx8 n VAL 26 Cb 0.52 -0.98 0.00 0.00 -1.47 0.00 0.00 33.84 31.91 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 2.65 0.70 1.27 7.63 0.00 -1.26 -4.91 105.19 111.27 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 0.58 0.00 0.00 0.00 173.32 173.90 1xx8 n LYS 28 N 0.00 2.92 -4.42 1.61 2.85 -1.26 -4.94 118.16 114.92 1xx8 n LYS 28 Ca 0.00 -2.61 -0.25 0.00 -1.05 0.00 0.00 58.31 54.41 1xx8 n LYS 28 Cb 0.00 -1.58 -0.11 0.00 -0.65 0.00 0.00 35.03 32.69 1xx8 n LYS 28 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1xx8 s MET 29 N -1.16 1.53 -0.20 -1.58 -1.94 -1.26 -0.63 119.30 114.05 1xx8 s MET 29 Ca 0.45 -1.60 -0.05 0.00 -1.71 0.00 0.00 55.69 52.78 1xx8 s MET 29 Cb 0.25 -1.69 -0.02 0.00 2.01 0.00 0.00 34.83 35.37 1xx8 s MET 29 CO 0.29 0.34 -0.00 0.08 -0.01 0.00 0.00 175.02 175.72 1xx8 s VAL 30 N -2.12 3.94 -0.40 -6.03 1.01 0.26 -1.74 120.40 115.32 1xx8 s VAL 30 Ca 0.23 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 1xx8 s VAL 30 Cb -0.06 -2.78 0.09 0.00 0.00 0.00 0.00 36.38 33.63 1xx8 s VAL 30 CO 0.11 0.43 0.21 -0.44 0.00 0.00 0.00 175.10 175.40 1xx8 s SER 31 N 1.02 5.36 0.14 3.32 0.01 0.69 -2.04 113.70 122.21 1xx8 s SER 31 Ca 0.02 -1.77 0.06 0.00 1.31 0.00 0.00 55.95 55.57 1xx8 s SER 31 Cb -0.14 -1.88 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 1xx8 s SER 31 CO 0.02 -0.52 0.03 0.72 0.41 0.00 0.00 173.24 173.90 1xx8 s PHE 32 N 1.26 2.98 0.08 2.43 -0.71 -0.10 -2.02 117.98 121.90 1xx8 s PHE 32 Ca 0.05 -0.06 0.09 0.00 -1.04 0.00 0.00 56.93 55.97 1xx8 s PHE 32 Cb -0.23 -1.48 -0.03 0.00 -1.21 0.00 0.00 43.02 40.07 1xx8 s PHE 32 CO -0.02 0.50 -0.24 0.99 -1.34 0.00 0.00 175.22 175.11 1xx8 s THR 33 N -1.56 1.99 0.00 -4.49 2.01 0.23 -0.03 115.64 113.79 1xx8 s THR 33 Ca 0.28 -1.48 0.00 0.00 0.31 0.00 0.00 61.69 60.80 1xx8 s THR 33 Cb -0.10 -1.74 0.00 0.00 0.01 0.00 0.00 72.50 70.66 1xx8 s THR 33 CO 0.20 0.17 0.00 0.00 -0.69 0.00 0.00 174.62 174.30 1xx8 n TYR 34 N 1.42 0.00 -3.27 4.92 4.11 -0.31 0.10 117.16 124.13 1xx8 n TYR 34 Ca -0.18 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.66 1xx8 n TYR 34 Cb 0.53 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.83 1xx8 n TYR 34 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.86 177.02 1xx8 s ASP 35 N 1.00 -0.29 -0.12 9.48 -4.77 -1.26 -4.69 116.67 116.03 1xx8 s ASP 35 Ca 0.00 -0.67 0.08 0.00 -3.30 0.00 0.00 52.55 48.66 1xx8 s ASP 35 Cb 0.00 1.37 -0.24 0.00 -1.09 0.00 0.00 42.92 42.96 1xx8 s ASP 35 CO 0.00 -0.27 0.37 -0.67 0.70 0.00 0.00 175.17 175.30 1xx8 n ASP 36 N 4.86 1.10 0.00 2.11 2.03 -1.24 -5.04 116.55 120.37 1xx8 n ASP 36 Ca 0.07 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.60 1xx8 n ASP 36 Cb 0.51 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 1xx8 n ASP 36 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1xx8 n ASN 37 N -3.11 -0.87 0.00 1.67 5.03 -1.26 -4.82 115.26 111.90 1xx8 n ASN 37 Ca -0.27 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.18 1xx8 n ASN 37 Cb 1.07 0.86 0.00 0.00 -1.02 0.00 0.00 39.78 40.69 1xx8 n ASN 37 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xx8 n GLY 38 N -0.57 3.06 3.54 7.41 0.00 -1.26 -4.92 105.19 112.45 1xx8 n GLY 38 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1xx8 n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xx8 s LYS 39 N -0.24 0.89 0.14 1.61 0.00 -1.26 -5.08 119.74 115.80 1xx8 s LYS 39 Ca 0.00 0.19 -0.18 0.00 0.00 0.00 0.00 55.97 55.98 1xx8 s LYS 39 Cb 0.00 0.42 0.01 0.00 0.00 0.00 0.00 37.83 38.26 1xx8 s LYS 39 CO 0.00 -0.28 1.74 0.00 0.00 0.00 0.00 175.35 176.81 1xx8 h THR 40 N 2.80 0.89 -0.36 3.79 1.03 -1.96 -3.34 112.91 115.76 1xx8 h THR 40 Ca -0.24 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 66.10 1xx8 h THR 40 Cb 1.15 0.69 0.00 0.00 -1.07 0.00 0.00 68.15 68.93 1xx8 h THR 40 CO 0.36 0.03 0.00 0.61 -0.01 0.00 0.00 175.52 176.51 1xx8 n GLY 41 N -1.20 0.54 2.96 2.99 0.00 -1.26 -3.71 105.19 105.52 1xx8 n GLY 41 Ca -0.01 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 1xx8 n GLY 41 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xx8 s ARG 42 N -1.02 1.89 0.02 1.61 3.00 -1.26 -1.16 118.95 122.02 1xx8 s ARG 42 Ca 0.00 -0.59 0.04 0.00 -1.00 0.00 0.00 55.73 54.18 1xx8 s ARG 42 Cb 0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 34.95 32.82 1xx8 s ARG 42 CO 0.00 -0.35 -0.08 0.20 0.00 0.00 0.00 175.30 175.07 1xx8 s GLY 43 N 1.53 1.74 -0.04 8.12 0.00 0.95 -4.83 107.32 114.79 1xx8 s GLY 43 Ca 0.02 -1.06 -0.01 0.00 0.00 0.00 0.00 44.72 43.67 1xx8 s GLY 43 CO -0.09 -0.94 0.06 0.00 0.00 0.00 0.00 173.10 172.13 1xx8 s ALA 44 N -1.01 0.15 0.05 3.20 0.00 -1.26 -0.92 121.76 121.98 1xx8 s ALA 44 Ca 0.17 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.40 1xx8 s ALA 44 Cb -0.11 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 1xx8 s ALA 44 CO 0.08 -0.36 -0.07 0.54 0.00 0.00 0.00 175.76 175.95 1xx8 s VAL 45 N 1.79 0.49 0.30 0.00 0.11 -0.86 -4.04 120.40 118.19 1xx8 s VAL 45 Ca 0.00 -1.27 -0.28 0.00 -2.93 0.00 0.00 61.98 57.50 1xx8 s VAL 45 Cb -0.12 -0.83 -0.09 0.00 -1.53 0.00 0.00 36.38 33.81 1xx8 s VAL 45 CO -0.03 -0.54 1.10 -0.94 -3.33 0.00 0.00 175.10 171.37 1xx8 s SER 46 N -1.94 7.14 0.52 3.54 1.04 -1.26 0.92 113.70 123.66 1xx8 s SER 46 Ca -0.05 2.26 0.25 0.00 0.48 0.00 0.00 55.95 58.88 1xx8 s SER 46 Cb -0.06 -2.62 1.44 0.00 0.10 0.00 0.00 66.02 64.88 1xx8 s SER 46 CO -0.01 -0.23 2.10 1.05 0.98 0.00 0.00 173.24 177.13 1xx8 h GLU 47 N 3.56 0.00 0.00 4.02 4.11 -1.17 0.33 114.58 125.43 1xx8 h GLU 47 Ca -0.47 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.88 1xx8 h GLU 47 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1xx8 h GLU 47 CO 0.66 0.10 -0.35 1.57 0.07 0.00 0.00 179.01 181.06 1xx8 h LYS 48 N 0.00 0.00 -0.17 1.06 2.10 -1.91 -2.97 116.57 114.68 1xx8 h LYS 48 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xx8 h LYS 48 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 1xx8 h LYS 48 CO 0.01 0.35 0.00 -3.47 -2.00 0.00 0.00 179.45 174.35 1xx8 n ASP 49 N -3.62 2.58 -4.72 7.07 -0.08 -0.19 -5.01 116.55 112.58 1xx8 n ASP 49 Ca -0.01 -1.75 -0.42 0.00 -1.51 0.00 0.00 54.79 51.11 1xx8 n ASP 49 Cb 0.47 -0.10 -0.03 0.00 2.34 0.00 0.00 41.12 43.80 1xx8 n ASP 49 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xx8 s ALA 50 N -1.16 3.68 0.02 -1.67 0.00 -0.07 -4.92 121.76 117.63 1xx8 s ALA 50 Ca 0.22 1.28 -0.18 0.00 0.00 0.00 0.00 51.96 53.28 1xx8 s ALA 50 Cb 0.14 -3.58 -0.06 0.00 0.00 0.00 0.00 23.12 19.62 1xx8 s ALA 50 CO 0.20 -0.71 0.50 -1.25 0.00 0.00 0.00 175.76 174.49 1xx8 s PRO 51 N 0.71 4.12 0.26 0.00 0.05 -1.26 -4.78 135.00 134.10 1xx8 s PRO 51 Ca 0.65 0.58 -0.05 0.00 0.05 0.00 0.00 61.00 62.23 1xx8 s PRO 51 Cb -0.41 -3.26 0.49 0.00 0.05 0.00 0.00 34.50 31.36 1xx8 s PRO 51 CO 0.34 0.58 1.42 1.17 0.05 0.00 0.00 177.00 180.56 1xx8 n LYS 52 N 2.08 -0.08 -0.32 4.56 3.00 -1.26 0.44 118.16 126.58 1xx8 n LYS 52 Ca -0.11 1.41 0.19 0.00 -0.00 0.00 0.00 58.31 59.80 1xx8 n LYS 52 Cb 0.51 -2.14 0.38 0.00 0.00 0.00 0.00 35.03 33.79 1xx8 n LYS 52 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1xx8 h GLU 53 N 0.00 0.07 0.02 1.64 4.22 -1.88 0.52 114.58 119.18 1xx8 h GLU 53 Ca 0.47 -0.00 -0.37 0.00 0.08 0.00 0.00 59.36 59.53 1xx8 h GLU 53 Cb 0.78 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.96 1xx8 h GLU 53 CO -0.92 0.05 -2.28 -0.11 -2.18 0.00 0.00 179.01 173.57 1xx8 n LEU 54 N -5.33 1.81 -0.01 1.64 -0.00 0.14 -4.19 117.00 111.05 1xx8 n LEU 54 Ca 0.27 0.03 0.01 0.00 -0.00 0.00 0.00 56.01 56.32 1xx8 n LEU 54 Cb 0.90 -0.41 0.33 0.00 -0.00 0.00 0.00 43.42 44.23 1xx8 n LEU 54 CO -0.00 0.73 1.01 0.25 -0.00 0.00 0.00 177.39 179.38 1xx8 h LEU 55 N 0.01 0.50 -0.20 -1.96 6.46 0.10 -2.48 115.31 117.75 1xx8 h LEU 55 Ca -0.51 -0.07 -0.08 0.00 -0.12 0.00 0.00 57.88 57.11 1xx8 h LEU 55 Cb 2.04 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 41.84 1xx8 h LEU 55 CO -0.00 0.50 -0.18 -0.78 -0.62 0.00 0.00 178.44 177.36 1xx8 h ASP 56 N 0.54 0.49 -0.24 1.25 1.82 -0.22 -2.35 116.42 117.71 1xx8 h ASP 56 Ca 0.13 -0.47 -0.70 0.00 -0.39 0.00 0.00 57.03 55.60 1xx8 h ASP 56 Cb 0.20 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.05 1xx8 h ASP 56 CO -0.00 0.86 3.34 0.23 -1.61 0.00 0.00 179.24 182.05 1xx8 n MET 57 N -4.47 3.55 0.01 0.28 2.81 -0.93 -2.69 117.12 115.68 1xx8 n MET 57 Ca -0.05 -2.57 0.00 0.00 -1.81 0.00 0.00 57.70 53.27 1xx8 n MET 57 Cb 0.39 -2.94 0.00 0.00 -0.71 0.00 0.00 33.22 29.96 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 4.13 -0.13 0.01 4.03 -0.00 -1.22 -4.86 117.00 118.96 1xx8 n LEU 58 Ca 0.66 0.06 0.08 0.00 -0.00 0.00 0.00 56.01 56.81 1xx8 n LEU 58 Cb 0.29 0.28 0.34 0.00 -0.00 0.00 0.00 43.42 44.33 1xx8 n LEU 58 CO 0.85 -0.12 0.75 0.00 -0.00 0.00 0.00 177.39 178.87 1xx8 n ALA 59 N -2.24 1.70 1.06 1.96 0.00 -0.89 -1.05 120.51 121.05 1xx8 n ALA 59 Ca 0.00 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.53 1xx8 n ALA 59 Cb 0.00 -1.26 0.61 0.00 0.00 0.00 0.00 19.45 18.80 1xx8 n ALA 59 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1xx8 n ARG 60 N -1.56 0.16 -0.03 0.00 1.85 -1.15 -4.02 116.66 111.91 1xx8 n ARG 60 Ca 0.04 0.04 -0.04 0.00 -1.00 0.00 0.00 57.85 56.89 1xx8 n ARG 60 Cb 0.18 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 30.05 1xx8 n ARG 60 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1xx8 n ALA 61 N -1.41 1.85 -1.86 2.89 0.00 -0.22 -5.03 120.51 116.73 1xx8 n ALA 61 Ca 0.09 -0.38 -0.18 0.00 0.00 0.00 0.00 53.44 52.97 1xx8 n ALA 61 Cb 0.27 0.19 0.16 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.39 -0.95 -1.07 0.00 -0.00 -1.04 -4.07 120.64 111.13 1xx8 n GLU 62 Ca -0.11 -1.77 -0.02 0.00 -0.00 0.00 0.00 57.16 55.25 1xx8 n GLU 62 Cb 0.68 -1.07 -0.01 0.00 -0.00 0.00 0.00 31.44 31.04 1xx8 n GLU 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1xx8 n ARG 63 N -3.24 -1.55 -2.73 3.44 1.74 -1.26 -4.79 116.66 108.27 1xx8 n ARG 63 Ca 0.14 0.50 -0.09 0.00 -0.77 0.00 0.00 57.85 57.63 1xx8 n ARG 63 Cb 0.48 -4.71 0.09 0.00 -1.02 0.00 0.00 32.46 27.29 1xx8 n ARG 63 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1xx8 n GLU 64 N -0.18 1.00 0.19 5.56 1.02 -1.26 -4.97 120.64 122.00 1xx8 n GLU 64 Ca -0.02 -1.91 0.00 0.00 -0.02 0.00 0.00 57.16 55.20 1xx8 n GLU 64 Cb 0.43 -1.05 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 1xx8 n GLU 64 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xx8 n LYS 65 N 0.42 0.00 0.00 3.49 4.76 -1.26 -5.05 118.16 120.52 1xx8 n LYS 65 Ca 0.06 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.55 1xx8 n LYS 65 Cb 0.70 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.93 1xx8 n LYS 65 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39