#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1s n LEU 7 N 0.00 1.22 -0.06 2.46 7.94 -1.26 -4.56 117.00 122.74 1u1s n LEU 7 Ca 0.00 -0.03 -0.10 0.00 -1.11 0.00 0.00 56.01 54.76 1u1s n LEU 7 Cb 0.00 -0.04 -0.04 0.00 0.53 0.00 0.00 43.42 43.87 1u1s n LEU 7 CO 0.00 0.48 0.88 -0.61 -1.11 0.00 0.00 177.39 177.03 1u1s h GLN 8 N 0.00 0.33 0.49 1.96 4.15 -2.05 -2.77 115.11 117.22 1u1s h GLN 8 Ca -0.33 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.02 1u1s h GLN 8 Cb 1.64 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.28 1u1s h GLN 8 CO -0.01 0.36 -0.24 -0.44 -1.93 0.00 0.00 178.83 176.57 1u1s h ASP 9 N 0.22 -0.56 -0.20 -0.69 3.32 -1.99 -0.48 116.42 116.04 1u1s h ASP 9 Ca 0.08 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1u1s h ASP 9 Cb 0.15 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1u1s h ASP 9 CO -0.01 -0.34 0.10 1.55 -1.72 0.00 0.00 179.24 178.82 1u1s h PRO 10 N -0.74 0.35 0.11 3.56 0.13 -1.80 0.14 132.00 133.75 1u1s h PRO 10 Ca -0.07 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 1u1s h PRO 10 Cb 0.54 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1u1s h PRO 10 CO 0.11 0.29 -0.05 -0.92 -0.23 0.00 0.00 178.00 177.20 1u1s h TYR 11 N 0.35 -0.14 -0.66 1.56 3.20 -1.33 -0.84 116.97 119.12 1u1s h TYR 11 Ca 0.09 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 1u1s h TYR 11 Cb 0.08 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 1u1s h TYR 11 CO 0.00 0.13 0.26 -0.07 -1.64 0.00 0.00 178.16 176.84 1u1s h LEU 12 N -0.40 0.88 -1.24 2.82 3.38 -0.73 -2.22 115.31 117.81 1u1s h LEU 12 Ca -0.02 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 1u1s h LEU 12 Cb 0.33 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1u1s h LEU 12 CO 0.02 0.79 -0.26 -1.13 0.09 0.00 0.00 178.44 177.96 1u1s h ASN 13 N 0.95 0.19 -0.31 -0.43 -1.24 -0.56 0.54 115.58 114.73 1u1s h ASN 13 Ca 0.22 -0.06 -0.10 0.00 0.71 0.00 0.00 56.30 57.07 1u1s h ASN 13 Cb 0.18 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 1u1s h ASN 13 CO -0.02 0.46 -0.21 0.74 -1.29 0.00 0.00 177.43 177.11 1u1s h THR 14 N 0.18 1.30 -0.69 -3.57 2.02 -0.67 0.47 112.91 111.94 1u1s h THR 14 Ca 0.03 -1.35 -0.04 0.00 0.77 0.00 0.00 66.41 65.83 1u1s h THR 14 Cb 0.56 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 1u1s h THR 14 CO 0.04 0.43 0.29 -0.07 0.37 0.00 0.00 175.52 176.58 1u1s h LEU 15 N 0.43 0.93 0.50 2.58 3.38 -0.97 -0.88 115.31 121.28 1u1s h LEU 15 Ca 0.06 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1u1s h LEU 15 Cb 0.76 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1u1s h LEU 15 CO 0.06 0.82 -0.24 -0.09 0.09 0.00 0.00 178.44 179.08 1u1s h ARG 16 N 1.00 -0.64 -1.00 1.13 2.43 -0.66 -1.72 114.38 114.92 1u1s h ARG 16 Ca 0.24 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.47 1u1s h ARG 16 Cb 0.17 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.82 1u1s h ARG 16 CO -0.02 -0.34 0.66 0.87 -1.51 0.00 0.00 179.97 179.62 1u1s h LYS 17 N -1.02 1.27 -0.01 0.20 1.57 -0.86 -1.78 116.57 115.95 1u1s h LYS 17 Ca -0.07 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1u1s h LYS 17 Cb 0.60 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1u1s h LYS 17 CO 0.11 0.84 -0.02 0.39 -0.57 0.00 0.00 179.45 180.20 1u1s n GLU 18 N -4.42 1.26 -4.00 3.15 -0.58 -0.34 -4.92 120.64 110.80 1u1s n GLU 18 Ca 0.13 -0.49 -0.31 0.00 -0.42 0.00 0.00 57.16 56.07 1u1s n GLU 18 Cb 0.06 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 29.44 1u1s n GLU 18 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1u1s n ARG 19 N -0.44 -4.49 -2.30 3.49 1.74 -0.67 -4.90 116.66 109.09 1u1s n ARG 19 Ca 0.20 0.51 -0.42 0.00 -0.77 0.00 0.00 57.85 57.37 1u1s n ARG 19 Cb 0.25 -5.23 -0.03 0.00 -1.02 0.00 0.00 32.46 26.43 1u1s n ARG 19 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1u1s s VAL 20 N -3.40 3.53 0.21 1.55 1.01 -0.71 -4.98 120.40 117.60 1u1s s VAL 20 Ca 0.56 1.18 -0.31 0.00 0.00 0.00 0.00 61.98 63.41 1u1s s VAL 20 Cb -0.29 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.24 1u1s s VAL 20 CO 0.87 0.14 1.44 -2.84 0.00 0.00 0.00 175.10 174.71 1u1s s PRO 21 N 0.41 4.28 0.09 2.72 0.02 -1.26 -4.45 135.00 136.81 1u1s s PRO 21 Ca 0.58 2.25 0.01 0.00 0.02 0.00 0.00 61.00 63.86 1u1s s PRO 21 Cb -0.34 -3.15 -0.04 0.00 0.02 0.00 0.00 34.50 30.99 1u1s s PRO 21 CO 0.34 -0.44 -0.04 0.14 -0.33 0.00 0.00 177.00 176.67 1u1s s VAL 22 N 0.41 0.48 -0.09 3.83 -7.23 0.08 -0.57 120.40 117.32 1u1s s VAL 22 Ca 0.62 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.92 1u1s s VAL 22 Cb -0.41 -1.71 -0.01 0.00 0.56 0.00 0.00 36.38 34.80 1u1s s VAL 22 CO 0.38 -0.83 -0.18 -0.44 -0.31 0.00 0.00 175.10 173.72 1u1s s SER 23 N -3.02 3.67 -0.24 4.85 0.01 0.23 -1.85 113.70 117.35 1u1s s SER 23 Ca 0.13 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 57.02 1u1s s SER 23 Cb 0.06 -1.25 0.04 0.00 0.21 0.00 0.00 66.02 65.09 1u1s s SER 23 CO -0.05 0.22 -0.10 -0.63 0.41 0.00 0.00 173.24 173.09 1u1s s ILE 24 N 0.00 2.47 -0.15 1.44 1.01 0.14 -0.52 121.20 125.59 1u1s s ILE 24 Ca -0.06 -1.26 -0.16 0.00 0.00 0.00 0.00 60.65 59.18 1u1s s ILE 24 Cb -0.15 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 1u1s s ILE 24 CO 0.05 0.16 0.38 -0.31 0.00 0.00 0.00 174.94 175.22 1u1s s TYR 25 N 1.23 3.48 0.61 3.97 1.51 -0.07 -0.58 117.35 127.50 1u1s s TYR 25 Ca -0.03 0.73 -0.05 0.00 -1.01 0.00 0.00 57.07 56.71 1u1s s TYR 25 Cb -0.17 -2.45 0.02 0.00 -0.11 0.00 0.00 41.96 39.25 1u1s s TYR 25 CO -0.06 0.18 0.91 -0.51 -1.11 0.00 0.00 175.55 174.97 1u1s s LEU 26 N 0.62 3.15 0.61 -1.29 1.43 0.35 -0.34 118.68 123.20 1u1s s LEU 26 Ca 0.21 0.59 0.40 0.00 -1.03 0.00 0.00 54.13 54.30 1u1s s LEU 26 Cb -0.14 -3.38 2.00 0.00 0.03 0.00 0.00 46.19 44.70 1u1s s LEU 26 CO 0.07 -1.19 2.20 -0.37 0.23 0.00 0.00 176.35 177.30 1u1s h VAL 27 N -0.24 0.00 -0.45 -1.59 -1.51 -0.91 -0.92 116.25 110.62 1u1s h VAL 27 Ca -0.45 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 1u1s h VAL 27 Cb 1.27 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 1u1s h VAL 27 CO 0.60 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 176.48 1u1s n ASN 28 N -3.05 2.61 0.00 4.19 0.23 -1.26 -4.92 115.26 113.05 1u1s n ASN 28 Ca -0.02 -1.96 0.00 0.00 -0.53 0.00 0.00 54.58 52.07 1u1s n ASN 28 Cb 0.16 -0.30 0.00 0.00 -2.08 0.00 0.00 39.78 37.56 1u1s n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1u1s n GLY 29 N 1.29 1.36 3.75 4.83 0.00 -0.35 -5.04 105.19 111.03 1u1s n GLY 29 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1u1s n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1s s ILE 30 N -2.36 2.54 -0.22 -0.61 -1.09 -1.26 -4.71 121.20 113.49 1u1s s ILE 30 Ca 0.00 0.48 -0.07 0.00 -2.23 0.00 0.00 60.65 58.83 1u1s s ILE 30 Cb 0.00 -3.31 -0.03 0.00 -1.58 0.00 0.00 42.46 37.54 1u1s s ILE 30 CO 0.00 0.09 0.07 -0.75 -1.23 0.00 0.00 174.94 173.12 1u1s s LYS 31 N -0.84 3.78 0.01 2.79 2.20 -1.26 -0.50 119.74 125.92 1u1s s LYS 31 Ca 0.57 -0.43 0.04 0.00 -0.36 0.00 0.00 55.97 55.79 1u1s s LYS 31 Cb -0.43 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 32.57 1u1s s LYS 31 CO 0.48 -0.02 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.87 1u1s s LEU 32 N 1.16 3.18 0.08 5.43 1.43 0.25 -4.95 118.68 125.25 1u1s s LEU 32 Ca 0.05 -0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.05 1u1s s LEU 32 Cb -0.14 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 1u1s s LEU 32 CO 0.03 0.27 -0.16 -1.10 0.23 0.00 0.00 176.35 175.62 1u1s s GLN 33 N -1.50 0.92 0.00 1.70 -0.21 -1.26 0.26 119.66 119.57 1u1s s GLN 33 Ca 0.18 -1.00 0.00 0.00 0.02 0.00 0.00 55.36 54.56 1u1s s GLN 33 Cb -0.11 -1.01 0.00 0.00 1.00 0.00 0.00 33.01 32.89 1u1s s GLN 33 CO 0.08 0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.89 1u1s n GLY 34 N 1.27 -0.39 3.23 3.09 0.00 -0.77 -4.72 105.19 106.90 1u1s n GLY 34 Ca -0.20 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 1u1s n GLY 34 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1u1s s GLN 35 N -1.20 0.74 -0.40 1.61 -2.07 -0.59 -0.74 119.66 117.02 1u1s s GLN 35 Ca 0.00 -0.47 -0.29 0.00 -1.82 0.00 0.00 55.36 52.78 1u1s s GLN 35 Cb 0.00 0.32 0.02 0.00 -1.09 0.00 0.00 33.01 32.26 1u1s s GLN 35 CO 0.00 -0.23 1.19 0.42 -1.32 0.00 0.00 175.29 175.35 1u1s s ILE 36 N -2.27 4.24 -0.10 3.63 -1.09 -1.26 -1.01 121.20 123.33 1u1s s ILE 36 Ca -0.07 1.34 -0.14 0.00 -2.23 0.00 0.00 60.65 59.54 1u1s s ILE 36 Cb -0.02 -4.42 -0.27 0.00 -1.58 0.00 0.00 42.46 36.16 1u1s s ILE 36 CO -0.02 -0.74 0.54 -0.08 -1.23 0.00 0.00 174.94 173.41 1u1s h GLU 37 N 9.12 0.26 -2.74 2.79 4.81 -1.24 -3.38 114.58 124.20 1u1s h GLU 37 Ca -0.23 -0.44 0.11 0.00 -0.13 0.00 0.00 59.36 58.66 1u1s h GLU 37 Cb 1.07 0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.55 1u1s h GLU 37 CO 1.08 1.21 0.33 0.45 -0.73 0.00 0.00 179.01 181.35 1u1s s SER 38 N -7.07 -0.24 -0.02 1.04 0.15 -1.20 -5.00 113.70 101.37 1u1s s SER 38 Ca -0.20 -0.51 -0.29 0.00 0.70 0.00 0.00 55.95 55.65 1u1s s SER 38 Cb 0.05 0.63 0.10 0.00 -1.71 0.00 0.00 66.02 65.10 1u1s s SER 38 CO 0.77 -1.17 0.91 0.72 1.20 0.00 0.00 173.24 175.67 1u1s s PHE 39 N -3.67 -0.33 0.00 3.44 -0.71 -1.26 0.00 117.98 115.45 1u1s s PHE 39 Ca 0.11 0.21 0.00 0.00 -1.04 0.00 0.00 56.93 56.21 1u1s s PHE 39 Cb -0.04 0.54 0.00 0.00 -1.21 0.00 0.00 43.02 42.31 1u1s s PHE 39 CO 0.05 -0.52 0.00 -0.40 -1.34 0.00 0.00 175.22 173.00 1u1s n ASP 40 N -0.22 0.22 0.01 1.98 5.68 -0.60 -5.01 116.55 118.60 1u1s n ASP 40 Ca -0.08 -0.06 0.04 0.00 -0.50 0.00 0.00 54.79 54.19 1u1s n ASP 40 Cb 0.62 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 41.03 1u1s n ASP 40 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1u1s h GLN 41 N 0.00 0.52 0.00 0.11 4.15 -2.04 -3.33 115.11 114.51 1u1s h GLN 41 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1u1s h GLN 41 Cb 0.00 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.57 1u1s h GLN 41 CO 0.00 0.34 -1.21 1.19 -1.93 0.00 0.00 178.83 177.22 1u1s n PHE 42 N -4.48 0.00 -4.33 3.99 3.72 -1.26 -4.98 117.46 110.12 1u1s n PHE 42 Ca 0.03 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.26 1u1s n PHE 42 Cb 0.07 -0.12 -0.10 0.00 -0.94 0.00 0.00 39.48 38.38 1u1s n PHE 42 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1u1s s VAL 43 N -2.35 1.04 -0.03 -4.37 -7.23 -1.25 -0.97 120.40 105.23 1u1s s VAL 43 Ca -0.02 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.14 1u1s s VAL 43 Cb 0.04 -2.34 0.01 0.00 0.56 0.00 0.00 36.38 34.64 1u1s s VAL 43 CO 0.23 -0.33 -0.10 -0.63 -0.31 0.00 0.00 175.10 173.97 1u1s s ILE 44 N -3.42 0.84 -0.37 -0.62 1.01 0.03 -1.55 121.20 117.12 1u1s s ILE 44 Ca 0.28 -0.38 -0.15 0.00 0.00 0.00 0.00 60.65 60.40 1u1s s ILE 44 Cb 0.06 -0.75 -0.00 0.00 0.01 0.00 0.00 42.46 41.77 1u1s s ILE 44 CO 0.09 0.27 0.34 -0.22 0.00 0.00 0.00 174.94 175.42 1u1s s LEU 45 N 0.28 4.64 -0.23 2.97 2.96 0.10 0.28 118.68 129.68 1u1s s LEU 45 Ca -0.05 -0.46 -0.10 0.00 -0.22 0.00 0.00 54.13 53.30 1u1s s LEU 45 Cb -0.10 -2.28 -0.05 0.00 0.50 0.00 0.00 46.19 44.26 1u1s s LEU 45 CO 0.01 -0.38 0.15 -0.22 -1.32 0.00 0.00 176.35 174.58 1u1s s LEU 46 N 1.94 4.10 -0.16 -0.68 2.96 -0.08 -0.64 118.68 126.11 1u1s s LEU 46 Ca 0.10 0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 54.10 1u1s s LEU 46 Cb -0.17 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.41 1u1s s LEU 46 CO 0.12 0.08 -0.08 -0.75 -1.32 0.00 0.00 176.35 174.40 1u1s s LYS 47 N 0.95 3.48 0.00 1.98 2.47 -0.18 -1.47 119.74 126.97 1u1s s LYS 47 Ca 0.07 -0.62 0.00 0.00 -1.56 0.00 0.00 55.97 53.87 1u1s s LYS 47 Cb -0.13 -2.81 0.00 0.00 -1.46 0.00 0.00 37.83 33.43 1u1s s LYS 47 CO 0.03 0.13 0.00 -1.71 0.16 0.00 0.00 175.35 173.96 1u1s n ASN 48 N 3.83 0.00 -0.06 1.43 5.15 -1.26 -1.54 115.26 122.81 1u1s n ASN 48 Ca -0.18 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.71 1u1s n ASN 48 Cb 0.52 0.00 0.07 0.00 -0.53 0.00 0.00 39.78 39.84 1u1s n ASN 48 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1u1s h THR 49 N 0.00 1.28 -3.44 -0.44 1.35 -1.96 -3.42 112.91 106.28 1u1s h THR 49 Ca 0.00 -1.51 -0.38 0.00 -0.55 0.00 0.00 66.41 63.97 1u1s h THR 49 Cb 0.00 1.42 -0.35 0.00 -1.73 0.00 0.00 68.15 67.49 1u1s h THR 49 CO 0.00 0.49 -0.76 -0.69 -0.25 0.00 0.00 175.52 174.32 1u1s s VAL 50 N -4.37 0.29 0.45 6.82 1.01 -1.26 -5.15 120.40 118.19 1u1s s VAL 50 Ca -0.09 0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 1u1s s VAL 50 Cb 0.12 -0.38 -0.10 0.00 0.00 0.00 0.00 36.38 36.02 1u1s s VAL 50 CO 0.84 0.18 1.00 -0.55 0.00 0.00 0.00 175.10 176.58 1u1s s SER 51 N 1.18 6.64 -0.02 3.32 0.15 -1.26 -4.80 113.70 118.92 1u1s s SER 51 Ca -0.07 1.83 -0.25 0.00 0.70 0.00 0.00 55.95 58.16 1u1s s SER 51 Cb -0.13 -2.55 0.06 0.00 -1.71 0.00 0.00 66.02 61.68 1u1s s SER 51 CO -0.02 -0.57 0.56 0.00 1.20 0.00 0.00 173.24 174.41 1u1s s GLN 52 N -3.13 0.97 -0.22 5.44 -2.07 -0.54 -5.01 119.66 115.09 1u1s s GLN 52 Ca 0.64 0.04 -0.16 0.00 -1.82 0.00 0.00 55.36 54.06 1u1s s GLN 52 Cb -0.14 0.45 -0.04 0.00 -1.09 0.00 0.00 33.01 32.19 1u1s s GLN 52 CO 0.18 -0.31 0.41 1.41 -1.32 0.00 0.00 175.29 175.66 1u1s s MET 53 N -1.53 4.13 -0.15 9.60 -2.45 -1.26 -0.91 119.30 126.72 1u1s s MET 53 Ca -0.10 0.19 -0.03 0.00 -1.25 0.00 0.00 55.69 54.50 1u1s s MET 53 Cb -0.01 -3.58 -0.02 0.00 1.25 0.00 0.00 34.83 32.47 1u1s s MET 53 CO 0.06 -0.13 -0.06 0.08 1.05 0.00 0.00 175.02 176.02 1u1s s VAL 54 N 1.60 3.64 -0.00 10.11 1.01 0.14 -4.95 120.40 131.96 1u1s s VAL 54 Ca 0.19 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 1u1s s VAL 54 Cb -0.15 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1u1s s VAL 54 CO 0.09 0.49 1.04 -0.31 0.00 0.00 0.00 175.10 176.41 1u1s s TYR 55 N 0.46 3.58 0.42 5.22 2.02 -1.26 -0.79 117.35 127.00 1u1s s TYR 55 Ca -0.05 1.59 0.12 0.00 -0.37 0.00 0.00 57.07 58.36 1u1s s TYR 55 Cb -0.15 -3.20 0.97 0.00 -0.40 0.00 0.00 41.96 39.19 1u1s s TYR 55 CO 0.03 -0.34 1.99 0.87 -1.57 0.00 0.00 175.55 176.54 1u1s h LYS 56 N 6.86 0.45 0.00 -0.62 1.57 -1.40 -0.89 116.57 122.53 1u1s h LYS 56 Ca -0.40 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1u1s h LYS 56 Cb 1.21 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1u1s h LYS 56 CO 0.78 0.30 0.00 1.12 -0.57 0.00 0.00 179.45 181.08 1u1s h HIS 57 N 0.46 0.00 -0.03 -1.35 2.07 -1.92 -0.49 115.15 113.89 1u1s h HIS 57 Ca 0.25 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.77 1u1s h HIS 57 Cb 0.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.37 1u1s h HIS 57 CO -0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1u1s n ALA 58 N -1.99 2.50 -2.77 6.11 0.00 -0.34 -4.90 120.51 119.12 1u1s n ALA 58 Ca -0.02 -0.61 -0.37 0.00 0.00 0.00 0.00 53.44 52.45 1u1s n ALA 58 Cb 0.12 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 1u1s n ALA 58 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1u1s s ILE 59 N -2.00 5.38 -0.25 0.00 -1.09 -0.19 -0.28 121.20 122.77 1u1s s ILE 59 Ca 0.31 0.36 -0.11 0.00 -2.23 0.00 0.00 60.65 58.99 1u1s s ILE 59 Cb 0.20 -3.50 -0.11 0.00 -1.58 0.00 0.00 42.46 37.48 1u1s s ILE 59 CO 0.31 0.55 -0.31 -1.54 -1.23 0.00 0.00 174.94 172.73 1u1s n SER 60 N 2.40 1.79 -3.89 3.58 3.41 0.54 -4.66 113.62 116.79 1u1s n SER 60 Ca -0.17 0.26 -0.11 0.00 -0.26 0.00 0.00 58.87 58.59 1u1s n SER 60 Cb 0.54 -0.69 -0.10 0.00 -0.26 0.00 0.00 64.21 63.69 1u1s n SER 60 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1u1s s THR 61 N -2.45 0.08 -0.18 6.66 -4.23 -1.01 -5.01 115.64 109.49 1u1s s THR 61 Ca -0.34 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 1u1s s THR 61 Cb 0.13 -0.38 0.01 0.00 1.34 0.00 0.00 72.50 73.60 1u1s s THR 61 CO 0.44 -0.39 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.27 1u1s s VAL 62 N -1.33 2.29 -0.23 2.29 1.01 -1.26 -0.89 120.40 122.28 1u1s s VAL 62 Ca -0.14 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 60.98 1u1s s VAL 62 Cb -0.08 -1.97 0.05 0.00 0.00 0.00 0.00 36.38 34.38 1u1s s VAL 62 CO 0.01 0.52 -0.08 -0.69 0.00 0.00 0.00 175.10 174.86 1u1s s VAL 63 N 1.26 1.65 0.67 2.92 1.01 0.32 -4.98 120.40 123.26 1u1s s VAL 63 Ca 0.04 -1.20 -0.14 0.00 0.00 0.00 0.00 61.98 60.68 1u1s s VAL 63 Cb -0.13 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.42 1u1s s VAL 63 CO -0.10 0.00 1.09 -2.16 0.00 0.00 0.00 175.10 173.93 1u1s s PRO 64 N 1.36 2.81 0.15 2.72 0.04 -1.26 -0.60 135.00 140.21 1u1s s PRO 64 Ca -0.05 1.25 0.25 0.00 0.04 0.00 0.00 61.00 62.49 1u1s s PRO 64 Cb -0.18 -1.96 0.92 0.00 0.04 0.00 0.00 34.50 33.32 1u1s s PRO 64 CO -0.07 -1.22 1.76 -1.13 0.04 0.00 0.00 177.00 176.38 1u1s n SER 65 N -2.66 0.50 -3.81 6.66 3.41 0.27 -4.83 113.62 113.15 1u1s n SER 65 Ca 0.09 0.57 -0.10 0.00 -0.26 0.00 0.00 58.87 59.18 1u1s n SER 65 Cb 0.53 -0.70 -0.06 0.00 -0.26 0.00 0.00 64.21 63.72 1u1s n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1s s ARG 66 N -3.12 1.07 0.53 4.33 1.70 -1.26 -5.08 118.95 117.12 1u1s s ARG 66 Ca 0.09 -0.94 -0.22 0.00 -0.47 0.00 0.00 55.73 54.20 1u1s s ARG 66 Cb 0.13 0.41 -0.05 0.00 -0.57 0.00 0.00 34.95 34.87 1u1s s ARG 66 CO 0.49 -0.40 1.29 -2.14 -1.08 0.00 0.00 175.30 173.47 1u1s s PRO 67 N -3.88 3.28 0.16 3.89 0.02 -1.26 -5.02 135.00 132.20 1u1s s PRO 67 Ca 0.08 2.07 0.03 0.00 0.02 0.00 0.00 61.00 63.20 1u1s s PRO 67 Cb 0.03 -2.26 -0.05 0.00 0.02 0.00 0.00 34.50 32.24 1u1s s PRO 67 CO -0.07 -1.02 -0.04 0.14 -0.33 0.00 0.00 177.00 175.68 1u1s s VAL 68 N -1.40 0.85 0.21 3.83 -7.23 -1.26 -5.11 120.40 110.29 1u1s s VAL 68 Ca 0.70 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.57 1u1s s VAL 68 Cb -0.36 -2.01 -0.10 0.00 0.56 0.00 0.00 36.38 34.47 1u1s s VAL 68 CO 0.43 -0.59 1.46 -0.60 -0.31 0.00 0.00 175.10 175.48 1u1s s ARG 69 N -3.85 4.27 0.08 4.82 3.52 -1.26 -5.00 118.95 121.52 1u1s s ARG 69 Ca 0.21 2.27 0.01 0.00 -0.13 0.00 0.00 55.73 58.08 1u1s s ARG 69 Cb 0.05 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 30.26 1u1s s ARG 69 CO 0.02 -0.46 0.22 -0.51 -0.81 0.00 0.00 175.30 173.76 1u1s s LEU 70 N 0.19 4.33 0.00 -0.88 1.43 -1.26 -4.97 118.68 117.53 1u1s s LEU 70 Ca 0.62 0.24 0.08 0.00 -1.03 0.00 0.00 54.13 54.05 1u1s s LEU 70 Cb -0.41 -2.93 0.49 0.00 0.03 0.00 0.00 46.19 43.36 1u1s s LEU 70 CO 0.38 0.15 0.94 -2.65 0.23 0.00 0.00 176.35 175.40