#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1t n LEU 7 N 0.00 2.47 -0.13 1.04 4.77 -1.26 -4.65 117.00 119.24 1u1t n LEU 7 Ca 0.00 -0.07 -0.08 0.00 -0.03 0.00 0.00 56.01 55.83 1u1t n LEU 7 Cb 0.00 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.65 1u1t n LEU 7 CO 0.00 0.70 0.63 -0.61 -1.33 0.00 0.00 177.39 176.78 1u1t h GLN 8 N 0.00 -0.24 0.71 3.23 4.15 -2.02 -1.24 115.11 119.70 1u1t h GLN 8 Ca -0.37 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.04 1u1t h GLN 8 Cb 1.61 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 29.35 1u1t h GLN 8 CO -0.04 -0.16 -0.45 -0.44 -1.93 0.00 0.00 178.83 175.81 1u1t h ASP 9 N -0.25 -1.14 -0.74 -0.69 3.32 -1.99 0.84 116.42 115.78 1u1t h ASP 9 Ca 0.18 0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.35 1u1t h ASP 9 Cb 0.55 0.33 -0.04 0.00 0.22 0.00 0.00 39.33 40.38 1u1t h ASP 9 CO -0.56 -0.68 0.49 1.55 -1.72 0.00 0.00 179.24 178.31 1u1t h PRO 10 N -1.08 0.79 0.21 3.56 0.13 -1.81 0.33 132.00 134.13 1u1t h PRO 10 Ca -0.09 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.98 1u1t h PRO 10 Cb 0.87 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1u1t h PRO 10 CO 0.09 0.52 -0.10 -0.92 -0.23 0.00 0.00 178.00 177.36 1u1t h TYR 11 N 0.82 -0.26 -0.39 1.56 3.20 -1.03 -0.87 116.97 119.99 1u1t h TYR 11 Ca 0.31 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.10 1u1t h TYR 11 Cb 0.19 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1u1t h TYR 11 CO -0.00 -0.12 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.26 1u1t h LEU 12 N -0.34 0.64 -0.98 2.82 3.38 -0.22 -2.59 115.31 118.03 1u1t h LEU 12 Ca -0.03 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 1u1t h LEU 12 Cb 0.26 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1u1t h LEU 12 CO 0.05 0.76 0.07 -1.13 0.09 0.00 0.00 178.44 178.27 1u1t h ASN 13 N 0.61 0.77 -0.20 -0.43 -1.24 -0.11 -0.90 115.58 114.08 1u1t h ASN 13 Ca 0.11 -0.16 -0.04 0.00 0.71 0.00 0.00 56.30 56.92 1u1t h ASN 13 Cb 0.49 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.33 1u1t h ASN 13 CO 0.03 0.79 -0.04 0.74 -1.29 0.00 0.00 177.43 177.66 1u1t h THR 14 N 0.77 1.28 -0.35 -3.57 2.02 -0.92 0.38 112.91 112.52 1u1t h THR 14 Ca 0.16 -1.00 0.01 0.00 0.77 0.00 0.00 66.41 66.34 1u1t h THR 14 Cb 0.37 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 1u1t h THR 14 CO 0.01 0.30 0.23 -0.07 0.37 0.00 0.00 175.52 176.37 1u1t h LEU 15 N 0.10 0.40 0.12 2.58 3.38 -1.20 -0.14 115.31 120.55 1u1t h LEU 15 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1u1t h LEU 15 Cb 0.48 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1u1t h LEU 15 CO 0.02 0.29 -0.06 -0.09 0.09 0.00 0.00 178.44 178.68 1u1t h ARG 16 N 0.47 -0.16 -1.03 1.13 2.43 -0.79 -0.78 114.38 115.66 1u1t h ARG 16 Ca 0.13 0.01 0.28 0.00 -0.81 0.00 0.00 59.98 59.59 1u1t h ARG 16 Cb -0.04 0.04 -0.13 0.00 -0.42 0.00 0.00 29.97 29.42 1u1t h ARG 16 CO -0.03 -0.10 0.61 1.57 -1.51 0.00 0.00 179.97 180.51 1u1t h LYS 17 N -0.56 0.45 -0.43 0.20 2.10 -0.19 0.18 116.57 118.31 1u1t h LYS 17 Ca -0.02 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1u1t h LYS 17 Cb 0.13 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 1u1t h LYS 17 CO 0.03 0.30 0.00 0.39 -2.00 0.00 0.00 179.45 178.16 1u1t n GLU 18 N -4.87 2.06 -4.14 0.07 1.02 -0.07 -4.95 120.64 109.75 1u1t n GLU 18 Ca 0.28 -1.64 -0.33 0.00 -0.02 0.00 0.00 57.16 55.45 1u1t n GLU 18 Cb 0.86 -1.37 -0.02 0.00 -0.02 0.00 0.00 31.44 30.88 1u1t n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1u1t n ARG 19 N 0.83 -3.25 -2.70 3.49 1.74 0.64 -4.90 116.66 112.50 1u1t n ARG 19 Ca 0.16 0.38 -0.42 0.00 -0.77 0.00 0.00 57.85 57.20 1u1t n ARG 19 Cb 0.39 -4.93 -0.03 0.00 -1.02 0.00 0.00 32.46 26.88 1u1t n ARG 19 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1u1t s VAL 20 N -3.50 4.85 0.28 1.55 1.01 -0.32 -5.01 120.40 119.26 1u1t s VAL 20 Ca 0.53 2.05 -0.29 0.00 0.00 0.00 0.00 61.98 64.26 1u1t s VAL 20 Cb -0.29 -4.31 -0.10 0.00 0.00 0.00 0.00 36.38 31.68 1u1t s VAL 20 CO 0.92 0.15 1.31 -2.84 0.00 0.00 0.00 175.10 174.64 1u1t s PRO 21 N 1.06 4.38 0.22 2.72 0.02 -1.26 -4.50 135.00 137.64 1u1t s PRO 21 Ca 0.52 2.15 0.01 0.00 0.02 0.00 0.00 61.00 63.70 1u1t s PRO 21 Cb -0.21 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.14 1u1t s PRO 21 CO 0.28 -0.21 0.08 0.14 -0.33 0.00 0.00 177.00 176.96 1u1t s VAL 22 N -0.60 0.44 -0.12 3.83 -7.23 0.80 -1.37 120.40 116.15 1u1t s VAL 22 Ca 0.52 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.72 1u1t s VAL 22 Cb -0.38 -2.48 0.02 0.00 0.56 0.00 0.00 36.38 34.09 1u1t s VAL 22 CO 0.46 -0.11 -0.15 -0.44 -0.31 0.00 0.00 175.10 174.55 1u1t s SER 23 N -3.24 2.54 -0.27 4.85 0.01 0.03 -1.95 113.70 115.67 1u1t s SER 23 Ca 0.35 -0.45 -0.05 0.00 1.31 0.00 0.00 55.95 57.11 1u1t s SER 23 Cb 0.07 -1.13 0.01 0.00 0.21 0.00 0.00 66.02 65.19 1u1t s SER 23 CO 0.11 -0.01 0.03 -0.63 0.41 0.00 0.00 173.24 173.14 1u1t s ILE 24 N 1.17 3.57 -0.13 1.44 1.01 0.13 -0.33 121.20 128.07 1u1t s ILE 24 Ca -0.02 -0.79 -0.17 0.00 0.00 0.00 0.00 60.65 59.67 1u1t s ILE 24 Cb -0.14 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1u1t s ILE 24 CO -0.05 0.14 0.41 -0.31 0.00 0.00 0.00 174.94 175.13 1u1t s TYR 25 N 1.44 3.50 0.45 3.97 1.51 0.01 -0.78 117.35 127.45 1u1t s TYR 25 Ca 0.02 0.79 -0.07 0.00 -1.01 0.00 0.00 57.07 56.80 1u1t s TYR 25 Cb -0.17 -2.47 -0.05 0.00 -0.11 0.00 0.00 41.96 39.17 1u1t s TYR 25 CO -0.00 0.21 0.78 -0.51 -1.11 0.00 0.00 175.55 174.91 1u1t s LEU 26 N 0.51 3.70 0.32 -1.29 1.43 -0.04 -0.46 118.68 122.84 1u1t s LEU 26 Ca 0.23 1.00 0.20 0.00 -1.03 0.00 0.00 54.13 54.53 1u1t s LEU 26 Cb -0.14 -3.92 1.10 0.00 0.03 0.00 0.00 46.19 43.26 1u1t s LEU 26 CO 0.08 -0.51 1.61 1.33 0.23 0.00 0.00 176.35 179.09 1u1t n VAL 27 N -1.90 1.00 0.83 -1.59 0.24 0.14 -0.66 118.33 116.39 1u1t n VAL 27 Ca 0.01 0.74 0.12 0.00 -2.04 0.00 0.00 64.34 63.17 1u1t n VAL 27 Cb 0.55 -1.74 0.25 0.00 -1.47 0.00 0.00 33.84 31.43 1u1t n VAL 27 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1u1t n ASN 28 N -2.22 2.76 0.00 -1.34 0.23 -1.26 -4.96 115.26 108.46 1u1t n ASN 28 Ca -0.01 -1.88 0.00 0.00 -0.53 0.00 0.00 54.58 52.15 1u1t n ASN 28 Cb 0.07 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 1u1t n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1u1t n GLY 29 N 1.35 2.64 3.68 4.83 0.00 0.16 -5.06 105.19 112.80 1u1t n GLY 29 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1u1t n GLY 29 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1u1t n ILE 30 N -0.13 2.68 -4.32 -0.61 2.08 -1.26 -4.64 119.36 113.16 1u1t n ILE 30 Ca 0.00 -0.50 -0.34 0.00 0.56 0.00 0.00 62.75 62.47 1u1t n ILE 30 Cb 0.00 -1.48 -0.14 0.00 -0.75 0.00 0.00 39.64 37.27 1u1t n ILE 30 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1u1t s LYS 31 N -2.25 3.37 0.02 0.38 2.20 -1.26 -0.86 119.74 121.34 1u1t s LYS 31 Ca 0.63 -0.66 0.03 0.00 -0.36 0.00 0.00 55.97 55.61 1u1t s LYS 31 Cb -0.51 -2.81 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 1u1t s LYS 31 CO 0.57 0.00 -0.03 -0.51 -0.36 0.00 0.00 175.35 175.02 1u1t s LEU 32 N 0.92 3.35 0.08 5.43 1.43 0.04 -4.95 118.68 124.98 1u1t s LEU 32 Ca -0.02 -0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 1u1t s LEU 32 Cb -0.15 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 1u1t s LEU 32 CO -0.00 0.25 -0.13 -1.10 0.23 0.00 0.00 176.35 175.60 1u1t s GLN 33 N -1.69 0.85 0.00 1.70 -0.21 -1.26 0.21 119.66 119.26 1u1t s GLN 33 Ca 0.20 -1.03 0.00 0.00 0.02 0.00 0.00 55.36 54.55 1u1t s GLN 33 Cb -0.11 -0.78 0.00 0.00 1.00 0.00 0.00 33.01 33.12 1u1t s GLN 33 CO 0.11 0.16 0.00 0.41 -2.12 0.00 0.00 175.29 173.85 1u1t n GLY 34 N 1.05 -0.17 3.16 3.09 0.00 -0.82 -4.62 105.19 106.88 1u1t n GLY 34 Ca -0.20 -1.22 -0.24 0.00 0.00 0.00 0.00 46.02 44.37 1u1t n GLY 34 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u1t s GLN 35 N -2.00 1.33 -0.07 1.61 -0.21 0.40 -0.14 119.66 120.58 1u1t s GLN 35 Ca 0.00 -0.63 -0.30 0.00 0.02 0.00 0.00 55.36 54.46 1u1t s GLN 35 Cb 0.00 -1.30 -0.04 0.00 1.00 0.00 0.00 33.01 32.67 1u1t s GLN 35 CO 0.00 0.35 1.44 0.42 -2.12 0.00 0.00 175.29 175.38 1u1t s ILE 36 N -0.44 3.87 -0.13 1.08 1.01 -1.26 -1.64 121.20 123.69 1u1t s ILE 36 Ca 0.06 1.12 -0.16 0.00 0.00 0.00 0.00 60.65 61.68 1u1t s ILE 36 Cb -0.07 -3.72 -0.25 0.00 0.01 0.00 0.00 42.46 38.43 1u1t s ILE 36 CO -0.00 -0.07 0.45 -0.08 0.00 0.00 0.00 174.94 175.24 1u1t h GLU 37 N 8.53 0.18 -2.64 2.79 4.81 -1.16 -3.41 114.58 123.69 1u1t h GLU 37 Ca -0.34 -0.31 0.12 0.00 -0.13 0.00 0.00 59.36 58.70 1u1t h GLU 37 Cb 1.15 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.62 1u1t h GLU 37 CO 0.94 1.15 0.51 -1.54 -0.73 0.00 0.00 179.01 179.34 1u1t s SER 38 N -6.96 -0.00 -0.12 1.04 1.04 -1.22 -5.02 113.70 102.45 1u1t s SER 38 Ca -0.22 -0.77 -0.33 0.00 0.48 0.00 0.00 55.95 55.10 1u1t s SER 38 Cb 0.05 0.58 0.13 0.00 0.10 0.00 0.00 66.02 66.88 1u1t s SER 38 CO 0.72 -1.15 1.14 0.72 0.98 0.00 0.00 173.24 175.65 1u1t s PHE 39 N -2.25 -0.17 0.00 5.02 -0.12 -1.26 -0.80 117.98 118.40 1u1t s PHE 39 Ca 0.20 0.09 0.00 0.00 -0.05 0.00 0.00 56.93 57.17 1u1t s PHE 39 Cb -0.03 0.53 0.00 0.00 -0.63 0.00 0.00 43.02 42.89 1u1t s PHE 39 CO 0.07 -0.31 0.00 -0.40 -0.05 0.00 0.00 175.22 174.53 1u1t n ASP 40 N -0.18 0.22 0.28 1.98 5.68 -0.56 -5.01 116.55 118.97 1u1t n ASP 40 Ca -0.03 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.40 1u1t n ASP 40 Cb 0.59 0.00 0.82 0.00 -1.14 0.00 0.00 41.12 41.40 1u1t n ASP 40 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1u1t h GLN 41 N 0.00 0.00 0.00 0.11 4.15 -2.04 -3.34 115.11 114.00 1u1t h GLN 41 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1u1t h GLN 41 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1u1t h GLN 41 CO 0.00 0.06 -0.89 1.19 -1.93 0.00 0.00 178.83 177.26 1u1t n PHE 42 N -3.71 0.00 -4.21 3.99 3.72 -1.26 -4.97 117.46 111.02 1u1t n PHE 42 Ca -0.02 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.25 1u1t n PHE 42 Cb 0.17 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.60 1u1t n PHE 42 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1u1t s VAL 43 N -1.81 0.73 -0.08 -4.37 -7.23 -1.25 -0.16 120.40 106.23 1u1t s VAL 43 Ca 0.00 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1u1t s VAL 43 Cb 0.00 -1.91 0.02 0.00 0.56 0.00 0.00 36.38 35.04 1u1t s VAL 43 CO 0.00 -0.67 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.39 1u1t s ILE 44 N -3.61 1.07 -0.42 -0.62 1.01 -0.15 -1.50 121.20 116.99 1u1t s ILE 44 Ca 0.18 -0.41 -0.20 0.00 0.00 0.00 0.00 60.65 60.22 1u1t s ILE 44 Cb 0.05 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.53 1u1t s ILE 44 CO -0.00 0.35 0.62 -0.22 0.00 0.00 0.00 174.94 175.69 1u1t s LEU 45 N 0.94 4.48 -0.06 2.97 2.96 0.02 -0.55 118.68 129.44 1u1t s LEU 45 Ca -0.09 -0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 53.50 1u1t s LEU 45 Cb -0.15 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 1u1t s LEU 45 CO 0.00 -0.72 0.17 -0.22 -1.32 0.00 0.00 176.35 174.26 1u1t s LEU 46 N 2.73 4.38 -0.01 -0.68 2.96 0.07 -0.52 118.68 127.62 1u1t s LEU 46 Ca 0.22 0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 54.53 1u1t s LEU 46 Cb -0.14 -2.37 0.00 0.00 0.50 0.00 0.00 46.19 44.17 1u1t s LEU 46 CO 0.18 0.33 0.03 -1.59 -1.32 0.00 0.00 176.35 173.97 1u1t s LYS 47 N -1.53 0.08 0.00 1.98 -2.85 -0.65 -1.11 119.74 115.66 1u1t s LYS 47 Ca 0.22 -0.05 0.00 0.00 -1.00 0.00 0.00 55.97 55.14 1u1t s LYS 47 Cb -0.12 0.03 0.00 0.00 -2.06 0.00 0.00 37.83 35.68 1u1t s LYS 47 CO 0.12 -0.01 0.00 -1.71 0.10 0.00 0.00 175.35 173.85 1u1t n ASN 48 N 2.84 0.00 0.03 0.03 2.85 -1.26 -0.45 115.26 119.30 1u1t n ASN 48 Ca -0.14 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.20 1u1t n ASN 48 Cb 0.59 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.59 1u1t n ASN 48 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1u1t h THR 49 N 0.00 1.35 -4.05 -0.44 1.03 -1.98 -3.44 112.91 105.38 1u1t h THR 49 Ca 0.00 -2.16 -0.41 0.00 -0.01 0.00 0.00 66.41 63.83 1u1t h THR 49 Cb 0.00 2.16 -0.27 0.00 -1.07 0.00 0.00 68.15 68.96 1u1t h THR 49 CO 0.00 0.66 -0.78 -0.69 -0.01 0.00 0.00 175.52 174.70 1u1t s VAL 50 N -3.56 0.83 0.03 0.00 1.01 -1.26 -5.14 120.40 112.30 1u1t s VAL 50 Ca -0.07 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 1u1t s VAL 50 Cb 0.09 -0.72 -0.06 0.00 0.00 0.00 0.00 36.38 35.70 1u1t s VAL 50 CO 0.87 0.14 0.38 -0.55 0.00 0.00 0.00 175.10 175.93 1u1t s SER 51 N -0.50 6.69 -0.07 3.32 0.15 -1.26 -4.41 113.70 117.61 1u1t s SER 51 Ca 0.02 0.83 -0.30 0.00 0.70 0.00 0.00 55.95 57.20 1u1t s SER 51 Cb -0.05 -2.20 0.10 0.00 -1.71 0.00 0.00 66.02 62.16 1u1t s SER 51 CO -0.00 0.26 0.82 0.00 1.20 0.00 0.00 173.24 175.53 1u1t s GLN 52 N -1.47 0.86 -0.22 5.44 -2.07 -0.27 -5.01 119.66 116.91 1u1t s GLN 52 Ca 0.27 0.10 -0.12 0.00 -1.82 0.00 0.00 55.36 53.79 1u1t s GLN 52 Cb -0.15 0.41 -0.05 0.00 -1.09 0.00 0.00 33.01 32.13 1u1t s GLN 52 CO 0.15 -0.29 0.24 1.41 -1.32 0.00 0.00 175.29 175.47 1u1t s MET 53 N -1.55 4.11 -0.17 9.60 -2.45 -1.26 -0.75 119.30 126.83 1u1t s MET 53 Ca -0.05 -0.11 -0.02 0.00 -1.25 0.00 0.00 55.69 54.26 1u1t s MET 53 Cb -0.00 -3.53 -0.02 0.00 1.25 0.00 0.00 34.83 32.53 1u1t s MET 53 CO 0.03 0.05 -0.08 0.08 1.05 0.00 0.00 175.02 176.15 1u1t s VAL 54 N 1.09 3.37 0.06 10.11 1.01 0.28 -4.95 120.40 131.37 1u1t s VAL 54 Ca 0.11 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1u1t s VAL 54 Cb -0.14 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1u1t s VAL 54 CO 0.05 0.48 1.12 -0.31 0.00 0.00 0.00 175.10 176.45 1u1t s TYR 55 N 0.75 3.52 0.38 5.22 2.02 -1.26 -0.97 117.35 127.01 1u1t s TYR 55 Ca -0.03 1.45 0.07 0.00 -0.37 0.00 0.00 57.07 58.19 1u1t s TYR 55 Cb -0.15 -3.31 0.79 0.00 -0.40 0.00 0.00 41.96 38.89 1u1t s TYR 55 CO 0.02 -0.82 1.99 0.87 -1.57 0.00 0.00 175.55 176.04 1u1t h LYS 56 N 6.61 0.66 0.00 -0.62 1.57 -0.90 -1.23 116.57 122.65 1u1t h LYS 56 Ca -0.42 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1u1t h LYS 56 Cb 1.22 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1u1t h LYS 56 CO 0.78 0.44 0.00 1.12 -0.57 0.00 0.00 179.45 181.22 1u1t h HIS 57 N 0.68 0.00 -0.02 -1.35 2.07 -1.92 -0.23 115.15 114.38 1u1t h HIS 57 Ca 0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.78 1u1t h HIS 57 Cb 0.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.14 1u1t h HIS 57 CO -0.00 0.00 -0.32 0.00 -3.07 0.00 0.00 177.93 174.54 1u1t n ALA 58 N -1.84 3.20 -2.58 6.11 0.00 -0.47 -4.92 120.51 120.01 1u1t n ALA 58 Ca -0.01 -0.61 -0.38 0.00 0.00 0.00 0.00 53.44 52.44 1u1t n ALA 58 Cb 0.09 -0.86 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 1u1t n ALA 58 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1u1t s ILE 59 N -2.35 5.10 -0.26 0.00 1.01 -0.10 0.25 121.20 124.85 1u1t s ILE 59 Ca 0.22 0.81 -0.08 0.00 0.00 0.00 0.00 60.65 61.60 1u1t s ILE 59 Cb 0.19 -3.71 -0.13 0.00 0.01 0.00 0.00 42.46 38.82 1u1t s ILE 59 CO 0.49 0.52 -0.30 -1.54 0.00 0.00 0.00 174.94 174.11 1u1t n SER 60 N 2.33 1.93 -3.85 3.58 3.41 0.39 -4.67 113.62 116.74 1u1t n SER 60 Ca -0.13 0.16 -0.11 0.00 -0.26 0.00 0.00 58.87 58.53 1u1t n SER 60 Cb 0.52 -0.64 -0.09 0.00 -0.26 0.00 0.00 64.21 63.75 1u1t n SER 60 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1u1t s THR 61 N -2.48 0.10 -0.22 6.66 -4.23 -1.05 -5.02 115.64 109.40 1u1t s THR 61 Ca -0.35 -0.80 0.02 0.00 -1.18 0.00 0.00 61.69 59.38 1u1t s THR 61 Cb 0.12 -0.71 0.05 0.00 1.34 0.00 0.00 72.50 73.29 1u1t s THR 61 CO 0.50 -0.44 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.32 1u1t s VAL 62 N -2.03 1.95 -0.26 2.29 1.01 -1.26 -0.81 120.40 121.29 1u1t s VAL 62 Ca -0.09 -1.27 -0.02 0.00 0.00 0.00 0.00 61.98 60.59 1u1t s VAL 62 Cb -0.04 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.38 1u1t s VAL 62 CO -0.01 0.15 -0.05 -0.69 0.00 0.00 0.00 175.10 174.50 1u1t s VAL 63 N 1.25 2.92 0.57 2.92 1.01 0.56 -4.97 120.40 124.65 1u1t s VAL 63 Ca -0.03 -1.07 -0.18 0.00 0.00 0.00 0.00 61.98 60.70 1u1t s VAL 63 Cb -0.17 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1u1t s VAL 63 CO -0.08 0.15 1.09 -2.84 0.00 0.00 0.00 175.10 173.42 1u1t s PRO 64 N 1.32 3.31 0.47 2.72 0.02 -1.26 -0.79 135.00 140.78 1u1t s PRO 64 Ca -0.01 1.42 0.26 0.00 0.02 0.00 0.00 61.00 62.69 1u1t s PRO 64 Cb -0.17 -2.02 0.79 0.00 0.02 0.00 0.00 34.50 33.12 1u1t s PRO 64 CO -0.04 -0.85 1.77 0.66 -0.33 0.00 0.00 177.00 178.21 1u1t h SER 65 N 0.83 0.00 -5.15 2.53 4.64 -1.58 -3.46 113.55 111.36 1u1t h SER 65 Ca -0.48 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.75 1u1t h SER 65 Cb 1.24 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.19 1u1t h SER 65 CO 0.57 0.09 -0.36 0.00 -0.87 0.00 0.00 176.83 176.25 1u1t s ARG 66 N -3.43 0.84 0.53 4.77 1.70 -1.26 -5.09 118.95 117.01 1u1t s ARG 66 Ca 0.03 -0.93 -0.22 0.00 -0.47 0.00 0.00 55.73 54.15 1u1t s ARG 66 Cb 0.08 0.34 -0.05 0.00 -0.57 0.00 0.00 34.95 34.75 1u1t s ARG 66 CO 0.63 -0.27 1.38 -2.30 -1.08 0.00 0.00 175.30 173.66 1u1t n PRO 67 N -0.01 1.79 -4.14 3.89 -0.02 -1.26 -5.02 135.00 130.22 1u1t n PRO 67 Ca -0.15 0.66 -0.09 0.00 -2.02 0.00 0.00 63.50 61.89 1u1t n PRO 67 Cb 0.62 -2.60 -0.10 0.00 -0.02 0.00 0.00 33.50 31.40 1u1t n PRO 67 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1u1t s VAL 68 N -1.27 0.30 -0.14 -1.45 -7.23 -1.26 -5.10 120.40 104.24 1u1t s VAL 68 Ca 0.70 -1.89 -0.29 0.00 -1.81 0.00 0.00 61.98 58.69 1u1t s VAL 68 Cb -0.42 -1.83 -0.05 0.00 0.56 0.00 0.00 36.38 34.64 1u1t s VAL 68 CO 0.50 -0.70 1.83 -0.60 -0.31 0.00 0.00 175.10 175.83 1u1t s ARG 69 N -3.96 3.79 0.29 4.82 3.52 -1.26 -4.97 118.95 121.17 1u1t s ARG 69 Ca 0.17 2.03 -0.20 0.00 -0.13 0.00 0.00 55.73 57.61 1u1t s ARG 69 Cb 0.07 -4.13 -0.09 0.00 -1.56 0.00 0.00 34.95 29.24 1u1t s ARG 69 CO -0.03 -1.32 0.79 -0.51 -0.81 0.00 0.00 175.30 173.41 1u1t s LEU 70 N 5.52 4.23 0.00 -0.88 1.43 -1.26 -4.95 118.68 122.77 1u1t s LEU 70 Ca 0.82 1.48 0.09 0.00 -1.03 0.00 0.00 54.13 55.48 1u1t s LEU 70 Cb -0.32 -3.88 0.52 0.00 0.03 0.00 0.00 46.19 42.54 1u1t s LEU 70 CO 0.33 -0.09 0.97 -2.65 0.23 0.00 0.00 176.35 175.15