#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1t h SER 6 N 0.00 0.00 0.00 0.26 4.64 -2.06 -3.03 113.55 113.36 1u1t h SER 6 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1u1t h SER 6 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1u1t h SER 6 CO 0.00 0.00 -1.77 -0.11 -0.87 0.00 0.00 176.83 174.08 1u1t n LEU 7 N -3.23 1.25 -0.11 5.97 7.94 -1.26 -4.52 117.00 123.04 1u1t n LEU 7 Ca 0.05 0.14 -0.05 0.00 -1.11 0.00 0.00 56.01 55.03 1u1t n LEU 7 Cb 0.65 -0.41 0.01 0.00 0.53 0.00 0.00 43.42 44.21 1u1t n LEU 7 CO 0.19 0.35 0.83 -0.61 -1.11 0.00 0.00 177.39 177.04 1u1t h GLN 8 N -0.43 0.06 0.85 1.96 4.15 -1.99 -1.85 115.11 117.86 1u1t h GLN 8 Ca -0.34 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.03 1u1t h GLN 8 Cb 1.33 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 29.01 1u1t h GLN 8 CO -0.19 0.04 -0.41 -0.44 -1.93 0.00 0.00 178.83 175.91 1u1t h ASP 9 N 0.07 -0.96 -0.87 -0.69 3.32 -1.82 0.52 116.42 115.97 1u1t h ASP 9 Ca 0.18 0.03 0.12 0.00 0.02 0.00 0.00 57.03 57.38 1u1t h ASP 9 Cb 0.26 0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.99 1u1t h ASP 9 CO -0.32 -0.68 0.56 -0.65 -1.72 0.00 0.00 179.24 176.44 1u1t h PRO 10 N -1.15 0.75 0.12 3.56 0.11 -1.78 0.24 132.00 133.85 1u1t h PRO 10 Ca -0.12 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 1u1t h PRO 10 Cb 0.87 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1u1t h PRO 10 CO 0.19 0.50 -0.06 -0.92 -0.21 0.00 0.00 178.00 177.50 1u1t h TYR 11 N 0.77 -0.15 -0.53 0.65 3.20 -1.12 -0.64 116.97 119.15 1u1t h TYR 11 Ca 0.42 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.18 1u1t h TYR 11 Cb 0.56 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 1u1t h TYR 11 CO -0.00 0.12 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.49 1u1t h LEU 12 N -0.42 0.96 -1.28 2.82 3.38 -0.39 -2.23 115.31 118.15 1u1t h LEU 12 Ca -0.02 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 1u1t h LEU 12 Cb 0.34 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1u1t h LEU 12 CO 0.03 1.06 -0.18 -1.13 0.09 0.00 0.00 178.44 178.31 1u1t h ASN 13 N 0.88 0.26 -0.14 -0.43 -1.24 -0.49 -0.66 115.58 113.76 1u1t h ASN 13 Ca 0.15 -0.06 -0.06 0.00 0.71 0.00 0.00 56.30 57.03 1u1t h ASN 13 Cb 0.62 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.60 1u1t h ASN 13 CO 0.04 0.46 -0.15 0.74 -1.29 0.00 0.00 177.43 177.23 1u1t h THR 14 N 0.25 1.35 -0.61 -3.57 2.02 -0.80 -1.05 112.91 110.50 1u1t h THR 14 Ca 0.05 -1.32 0.02 0.00 0.77 0.00 0.00 66.41 65.92 1u1t h THR 14 Cb 0.46 1.91 -0.03 0.00 -1.74 0.00 0.00 68.15 68.75 1u1t h THR 14 CO 0.03 0.39 0.40 -0.07 0.37 0.00 0.00 175.52 176.64 1u1t h LEU 15 N -0.04 0.66 0.66 2.58 3.38 -1.13 -1.26 115.31 120.16 1u1t h LEU 15 Ca 0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1u1t h LEU 15 Cb 0.69 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.28 1u1t h LEU 15 CO 0.04 0.46 -0.32 -0.09 0.09 0.00 0.00 178.44 178.62 1u1t h ARG 16 N 0.77 -0.85 -0.63 1.13 2.43 -0.93 -1.81 114.38 114.50 1u1t h ARG 16 Ca 0.23 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.53 1u1t h ARG 16 Cb -0.01 0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 29.68 1u1t h ARG 16 CO -0.06 -0.55 0.31 0.87 -1.51 0.00 0.00 179.97 179.03 1u1t h LYS 17 N -1.21 0.56 0.00 0.20 1.57 -1.05 -1.32 116.57 115.31 1u1t h LYS 17 Ca -0.09 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1u1t h LYS 17 Cb 0.69 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1u1t h LYS 17 CO 0.15 0.37 0.00 0.39 -0.57 0.00 0.00 179.45 179.79 1u1t n GLU 18 N -4.86 0.82 -3.98 3.15 -0.58 -0.49 -4.90 120.64 109.80 1u1t n GLU 18 Ca 0.08 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.50 1u1t n GLU 18 Cb 0.20 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.59 1u1t n GLU 18 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1u1t n ARG 19 N -1.09 -5.05 -2.36 3.49 1.74 -0.50 -4.91 116.66 107.99 1u1t n ARG 19 Ca 0.21 0.55 -0.42 0.00 -0.77 0.00 0.00 57.85 57.42 1u1t n ARG 19 Cb 0.15 -5.41 -0.03 0.00 -1.02 0.00 0.00 32.46 26.15 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 -3.30 4.02 0.28 1.55 1.01 -0.74 -4.98 120.40 118.24 1u1t s VAL 20 Ca 0.68 1.37 -0.30 0.00 0.00 0.00 0.00 61.98 63.74 1u1t s VAL 20 Cb -0.35 -3.88 -0.11 0.00 0.00 0.00 0.00 36.38 32.04 1u1t s VAL 20 CO 0.85 0.01 1.50 -2.84 0.00 0.00 0.00 175.10 174.62 1u1t s PRO 21 N 2.21 4.20 0.18 2.72 0.02 -1.26 -4.60 135.00 138.47 1u1t s PRO 21 Ca 0.59 2.43 0.05 0.00 0.02 0.00 0.00 61.00 64.09 1u1t s PRO 21 Cb -0.28 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.13 1u1t s PRO 21 CO 0.24 -0.50 -0.10 0.14 -0.33 0.00 0.00 177.00 176.45 1u1t s VAL 22 N -0.11 1.32 -0.17 3.83 -7.23 -0.14 -0.32 120.40 117.57 1u1t s VAL 22 Ca 0.60 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1u1t s VAL 22 Cb -0.44 -1.98 0.01 0.00 0.56 0.00 0.00 36.38 34.52 1u1t s VAL 22 CO 0.47 -0.64 -0.16 -0.44 -0.31 0.00 0.00 175.10 174.01 1u1t s SER 23 N -3.23 3.48 -0.25 4.85 0.01 0.38 -2.23 113.70 116.70 1u1t s SER 23 Ca 0.20 -0.55 -0.06 0.00 1.31 0.00 0.00 55.95 56.85 1u1t s SER 23 Cb 0.02 -1.54 -0.01 0.00 0.21 0.00 0.00 66.02 64.70 1u1t s SER 23 CO 0.04 0.03 0.03 -0.63 0.41 0.00 0.00 173.24 173.12 1u1t s ILE 24 N 1.12 3.85 -0.19 1.44 1.01 0.14 -0.19 121.20 128.38 1u1t s ILE 24 Ca 0.01 -0.44 -0.12 0.00 0.00 0.00 0.00 60.65 60.10 1u1t s ILE 24 Cb -0.14 -2.84 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 1u1t s ILE 24 CO -0.06 0.30 0.22 -0.31 0.00 0.00 0.00 174.94 175.08 1u1t s TYR 25 N 1.53 3.42 0.49 3.97 1.51 0.06 -0.02 117.35 128.30 1u1t s TYR 25 Ca 0.05 0.44 -0.05 0.00 -1.01 0.00 0.00 57.07 56.50 1u1t s TYR 25 Cb -0.15 -2.27 -0.03 0.00 -0.11 0.00 0.00 41.96 39.39 1u1t s TYR 25 CO 0.01 0.22 0.80 -0.51 -1.11 0.00 0.00 175.55 174.96 1u1t s LEU 26 N 0.55 3.59 0.60 -1.29 1.43 0.29 -0.03 118.68 123.82 1u1t s LEU 26 Ca 0.12 0.92 0.31 0.00 -1.03 0.00 0.00 54.13 54.44 1u1t s LEU 26 Cb -0.12 -3.86 1.80 0.00 0.03 0.00 0.00 46.19 44.04 1u1t s LEU 26 CO 0.02 -0.62 2.19 -0.37 0.23 0.00 0.00 176.35 177.79 1u1t h VAL 27 N 0.18 0.43 -0.00 -1.59 -1.51 -1.12 0.09 116.25 112.73 1u1t h VAL 27 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1u1t h VAL 27 Cb 1.21 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1u1t h VAL 27 CO 0.62 0.00 -0.09 -0.46 -1.23 0.00 0.00 177.57 176.40 1u1t n ASN 28 N -3.71 0.50 0.00 4.19 0.23 -1.26 -4.92 115.26 110.29 1u1t n ASN 28 Ca -0.01 -0.66 0.00 0.00 -0.53 0.00 0.00 54.58 53.38 1u1t n ASN 28 Cb 0.20 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 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 1.25 1.46 3.77 4.83 0.00 0.02 -5.07 105.19 111.45 1u1t n GLY 29 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1u1t n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1t s ILE 30 N -2.33 3.00 -0.19 -0.61 1.01 -1.26 -4.74 121.20 116.08 1u1t s ILE 30 Ca 0.00 0.82 -0.03 0.00 0.00 0.00 0.00 60.65 61.45 1u1t s ILE 30 Cb 0.00 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 1u1t s ILE 30 CO 0.00 0.06 -0.07 -0.75 0.00 0.00 0.00 174.94 174.18 1u1t s LYS 31 N -2.40 3.37 0.05 2.79 2.36 -1.26 -0.55 119.74 124.10 1u1t s LYS 31 Ca 0.59 -0.65 0.02 0.00 -2.55 0.00 0.00 55.97 53.38 1u1t s LYS 31 Cb -0.32 -2.88 -0.04 0.00 -1.05 0.00 0.00 37.83 33.54 1u1t s LYS 31 CO 0.40 -0.07 0.06 -0.51 1.55 0.00 0.00 175.35 176.78 1u1t s LEU 32 N 1.12 3.76 0.01 5.43 1.43 0.97 -4.94 118.68 126.46 1u1t s LEU 32 Ca 0.01 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1u1t s LEU 32 Cb -0.15 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 1u1t s LEU 32 CO -0.01 0.21 -0.09 -1.10 0.23 0.00 0.00 176.35 175.59 1u1t s GLN 33 N -2.09 0.68 0.00 1.70 -0.21 -1.26 0.23 119.66 118.71 1u1t s GLN 33 Ca 0.26 -0.49 0.00 0.00 0.02 0.00 0.00 55.36 55.15 1u1t s GLN 33 Cb -0.12 -0.63 0.00 0.00 1.00 0.00 0.00 33.01 33.26 1u1t s GLN 33 CO 0.18 0.16 0.00 0.41 -2.12 0.00 0.00 175.29 173.92 1u1t n GLY 34 N 2.36 -0.58 3.13 3.09 0.00 -0.95 -4.83 105.19 107.41 1u1t n GLY 34 Ca -0.16 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.36 1.17 -0.28 1.61 -0.21 -0.92 -0.97 119.66 118.71 1u1t s GLN 35 Ca 0.00 -0.58 -0.29 0.00 0.02 0.00 0.00 55.36 54.51 1u1t s GLN 35 Cb 0.00 -1.15 -0.01 0.00 1.00 0.00 0.00 33.01 32.85 1u1t s GLN 35 CO 0.00 0.31 1.45 0.42 -2.12 0.00 0.00 175.29 175.35 1u1t s ILE 36 N -0.43 3.93 -0.04 1.08 1.01 -1.26 -0.57 121.20 124.91 1u1t s ILE 36 Ca 0.05 1.04 -0.07 0.00 0.00 0.00 0.00 60.65 61.67 1u1t s ILE 36 Cb -0.06 -3.97 -0.29 0.00 0.01 0.00 0.00 42.46 38.15 1u1t s ILE 36 CO -0.00 -0.42 0.69 -0.08 0.00 0.00 0.00 174.94 175.13 1u1t h GLU 37 N 10.04 0.32 -1.57 2.79 4.57 -1.29 -3.40 114.58 126.03 1u1t h GLU 37 Ca -0.29 -0.55 0.31 0.00 -1.18 0.00 0.00 59.36 57.65 1u1t h GLU 37 Cb 1.12 0.20 -0.11 0.00 -0.16 0.00 0.00 28.75 29.80 1u1t h GLU 37 CO 1.02 1.21 0.79 -1.54 -1.18 0.00 0.00 179.01 179.32 1u1t s SER 38 N -7.12 -0.07 0.10 1.04 1.04 -1.22 -5.01 113.70 102.46 1u1t s SER 38 Ca -0.14 -0.17 -0.25 0.00 0.48 0.00 0.00 55.95 55.87 1u1t s SER 38 Cb 0.06 0.20 0.08 0.00 0.10 0.00 0.00 66.02 66.46 1u1t s SER 38 CO 0.84 -0.37 0.73 0.72 0.98 0.00 0.00 173.24 176.14 1u1t s PHE 39 N -2.50 -0.44 0.00 5.02 -0.71 -1.26 -0.15 117.98 117.93 1u1t s PHE 39 Ca 0.15 0.25 0.00 0.00 -1.04 0.00 0.00 56.93 56.28 1u1t s PHE 39 Cb 0.04 0.56 0.00 0.00 -1.21 0.00 0.00 43.02 42.41 1u1t s PHE 39 CO -0.03 -0.74 0.00 -0.40 -1.34 0.00 0.00 175.22 172.71 1u1t n ASP 40 N -0.33 0.29 0.15 1.98 5.68 -0.33 -5.01 116.55 118.98 1u1t n ASP 40 Ca -0.13 -0.21 0.05 0.00 -0.50 0.00 0.00 54.79 54.00 1u1t n ASP 40 Cb 0.63 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 41.13 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 0.22 0.00 0.11 4.15 -2.04 -3.32 115.11 114.24 1u1t h GLN 41 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1u1t h GLN 41 Cb 0.00 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.64 1u1t h GLN 41 CO 0.00 0.20 -1.14 1.19 -1.93 0.00 0.00 178.83 177.15 1u1t n PHE 42 N -4.46 0.00 -4.22 3.99 3.72 -1.26 -4.95 117.46 110.29 1u1t n PHE 42 Ca -0.01 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.27 1u1t n PHE 42 Cb 0.12 -0.12 -0.10 0.00 -0.94 0.00 0.00 39.48 38.44 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 -2.29 0.52 -0.04 -4.37 -7.23 -1.25 -1.01 120.40 104.74 1u1t s VAL 43 Ca -0.02 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.22 1u1t s VAL 43 Cb 0.04 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.88 1u1t s VAL 43 CO 0.24 -0.48 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.81 1u1t s ILE 44 N -3.76 1.01 -0.33 -0.62 1.01 -0.02 -1.19 121.20 117.31 1u1t s ILE 44 Ca 0.24 -0.47 -0.14 0.00 0.00 0.00 0.00 60.65 60.28 1u1t s ILE 44 Cb 0.06 -0.89 -0.02 0.00 0.01 0.00 0.00 42.46 41.62 1u1t s ILE 44 CO 0.03 0.31 0.29 -0.76 0.00 0.00 0.00 174.94 174.81 1u1t s LEU 45 N 0.22 4.42 -0.28 2.97 1.43 0.78 -0.44 118.68 127.79 1u1t s LEU 45 Ca -0.05 -0.28 -0.09 0.00 -1.03 0.00 0.00 54.13 52.68 1u1t s LEU 45 Cb -0.10 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 1u1t s LEU 45 CO 0.01 -0.25 0.13 -0.22 0.23 0.00 0.00 176.35 176.25 1u1t s LEU 46 N 1.85 3.84 0.02 1.79 2.96 0.01 -0.72 118.68 128.42 1u1t s LEU 46 Ca 0.09 -0.24 -0.16 0.00 -0.22 0.00 0.00 54.13 53.60 1u1t s LEU 46 Cb -0.17 -2.01 -0.06 0.00 0.50 0.00 0.00 46.19 44.45 1u1t s LEU 46 CO 0.11 -0.09 0.45 -0.75 -1.32 0.00 0.00 176.35 174.75 1u1t s LYS 47 N 1.66 4.01 0.00 1.98 2.20 0.26 -0.83 119.74 129.02 1u1t s LYS 47 Ca 0.06 0.50 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 1u1t s LYS 47 Cb -0.16 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 1u1t s LYS 47 CO 0.07 0.66 0.00 0.27 -0.36 0.00 0.00 175.35 175.99 1u1t n ASN 48 N 1.85 0.24 0.05 1.43 0.23 -1.26 -2.16 115.26 115.64 1u1t n ASN 48 Ca -0.13 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.79 1u1t n ASN 48 Cb 0.52 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.14 1u1t n ASN 48 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1u1t h THR 49 N 0.00 0.00 -3.72 5.53 2.02 -1.95 -3.41 112.91 111.38 1u1t h THR 49 Ca 0.00 0.00 -0.56 0.00 0.77 0.00 0.00 66.41 66.62 1u1t h THR 49 Cb 0.00 0.00 -0.21 0.00 -1.74 0.00 0.00 68.15 66.20 1u1t h THR 49 CO 0.00 0.00 -0.82 -0.69 0.37 0.00 0.00 175.52 174.38 1u1t s VAL 50 N -5.20 1.80 -0.09 3.16 1.01 -1.26 -5.11 120.40 114.70 1u1t s VAL 50 Ca -0.13 -1.68 -0.27 0.00 0.00 0.00 0.00 61.98 59.90 1u1t s VAL 50 Cb 0.05 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1u1t s VAL 50 CO 0.49 -0.13 0.88 -0.44 0.00 0.00 0.00 175.10 175.91 1u1t s SER 51 N -2.16 7.14 0.10 3.32 0.01 -1.26 -4.76 113.70 116.08 1u1t s SER 51 Ca 0.10 1.38 0.06 0.00 1.31 0.00 0.00 55.95 58.80 1u1t s SER 51 Cb -0.09 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1u1t s SER 51 CO 0.05 -0.32 -0.05 0.00 0.41 0.00 0.00 173.24 173.34 1u1t s GLN 52 N 1.55 2.35 -0.29 12.44 -2.07 -0.01 -4.91 119.66 128.72 1u1t s GLN 52 Ca 0.44 -0.93 -0.14 0.00 -1.82 0.00 0.00 55.36 52.91 1u1t s GLN 52 Cb -0.18 -2.43 -0.03 0.00 -1.09 0.00 0.00 33.01 29.28 1u1t s GLN 52 CO 0.19 0.53 0.34 1.41 -1.32 0.00 0.00 175.29 176.43 1u1t s MET 53 N -2.25 3.91 -0.19 9.60 -2.45 -1.26 -0.81 119.30 125.85 1u1t s MET 53 Ca 0.24 -0.12 -0.05 0.00 -1.25 0.00 0.00 55.69 54.50 1u1t s MET 53 Cb -0.11 -3.69 -0.03 0.00 1.25 0.00 0.00 34.83 32.25 1u1t s MET 53 CO 0.16 -0.31 0.01 0.08 1.05 0.00 0.00 175.02 176.01 1u1t s VAL 54 N 2.01 4.15 0.00 10.11 1.01 0.42 -4.95 120.40 133.16 1u1t s VAL 54 Ca 0.13 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1u1t s VAL 54 Cb -0.16 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1u1t s VAL 54 CO 0.11 0.44 1.07 -0.31 0.00 0.00 0.00 175.10 176.41 1u1t s TYR 55 N 0.75 3.54 0.42 5.22 2.02 -1.26 -0.84 117.35 127.20 1u1t s TYR 55 Ca 0.01 1.53 0.09 0.00 -0.37 0.00 0.00 57.07 58.33 1u1t s TYR 55 Cb -0.14 -3.24 0.91 0.00 -0.40 0.00 0.00 41.96 39.09 1u1t s TYR 55 CO 0.02 -0.52 2.04 0.87 -1.57 0.00 0.00 175.55 176.39 1u1t h LYS 56 N 6.88 0.49 0.00 -0.62 1.57 -1.42 -0.90 116.57 122.58 1u1t h LYS 56 Ca -0.40 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1u1t h LYS 56 Cb 1.21 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1u1t h LYS 56 CO 0.79 0.32 0.00 1.12 -0.57 0.00 0.00 179.45 181.11 1u1t h HIS 57 N 0.50 0.00 -0.02 -1.35 2.07 -1.92 -0.14 115.15 114.29 1u1t h HIS 57 Ca 0.18 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.70 1u1t h HIS 57 Cb 0.09 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.07 1u1t h HIS 57 CO -0.00 0.00 -0.04 0.00 -3.07 0.00 0.00 177.93 174.82 1u1t n ALA 58 N -1.99 2.59 -2.58 6.11 0.00 -0.34 -4.94 120.51 119.36 1u1t n ALA 58 Ca -0.02 -0.61 -0.38 0.00 0.00 0.00 0.00 53.44 52.43 1u1t n ALA 58 Cb 0.08 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 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 -2.05 5.12 -0.17 0.00 1.01 -0.07 -0.57 121.20 124.46 1u1t s ILE 59 Ca 0.30 0.76 -0.15 0.00 0.00 0.00 0.00 60.65 61.57 1u1t s ILE 59 Cb 0.20 -3.69 -0.06 0.00 0.01 0.00 0.00 42.46 38.92 1u1t s ILE 59 CO 0.34 0.53 -0.25 -1.20 0.00 0.00 0.00 174.94 174.36 1u1t n SER 60 N 2.22 1.89 -3.95 3.58 7.64 0.96 -4.70 113.62 121.26 1u1t n SER 60 Ca -0.14 0.45 -0.09 0.00 1.01 0.00 0.00 58.87 60.11 1u1t n SER 60 Cb 0.52 -0.81 -0.09 0.00 -1.01 0.00 0.00 64.21 62.82 1u1t n SER 60 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1u1t s THR 61 N -2.59 0.15 -0.21 0.44 -1.32 -1.09 -5.01 115.64 106.01 1u1t s THR 61 Ca -0.24 -1.22 0.01 0.00 -1.21 0.00 0.00 61.69 59.03 1u1t s THR 61 Cb 0.04 -1.02 0.04 0.00 -1.51 0.00 0.00 72.50 70.05 1u1t s THR 61 CO 0.36 -0.67 -0.13 -0.69 -2.21 0.00 0.00 174.62 171.28 1u1t s VAL 62 N -2.92 1.87 -0.30 5.08 1.01 -1.26 -0.76 120.40 123.11 1u1t s VAL 62 Ca -0.02 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 60.79 1u1t s VAL 62 Cb 0.01 -1.88 0.04 0.00 0.00 0.00 0.00 36.38 34.55 1u1t s VAL 62 CO -0.06 0.23 0.03 -0.69 0.00 0.00 0.00 175.10 174.60 1u1t s VAL 63 N 1.30 3.29 0.49 2.92 1.01 0.74 -4.97 120.40 125.18 1u1t s VAL 63 Ca -0.01 -1.19 -0.22 0.00 0.00 0.00 0.00 61.98 60.56 1u1t s VAL 63 Cb -0.16 -2.83 -0.07 0.00 0.00 0.00 0.00 36.38 33.32 1u1t s VAL 63 CO -0.09 -0.06 1.19 -2.84 0.00 0.00 0.00 175.10 173.30 1u1t s PRO 64 N 1.33 3.56 0.23 2.72 0.02 -1.26 -0.47 135.00 141.12 1u1t s PRO 64 Ca -0.03 1.81 0.25 0.00 0.02 0.00 0.00 61.00 63.05 1u1t s PRO 64 Cb -0.19 -2.29 0.88 0.00 0.02 0.00 0.00 34.50 32.93 1u1t s PRO 64 CO -0.00 -0.73 1.75 -1.13 -0.33 0.00 0.00 177.00 176.57 1u1t n SER 65 N -0.77 0.75 -3.67 2.53 3.41 0.56 -4.83 113.62 111.60 1u1t n SER 65 Ca 0.09 0.61 -0.12 0.00 -0.26 0.00 0.00 58.87 59.18 1u1t n SER 65 Cb 0.48 -0.80 -0.06 0.00 -0.26 0.00 0.00 64.21 63.57 1u1t n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1t s ARG 66 N -3.18 0.92 0.21 4.33 1.70 -1.26 -5.05 118.95 116.62 1u1t s ARG 66 Ca 0.08 -0.40 -0.32 0.00 -0.47 0.00 0.00 55.73 54.62 1u1t s ARG 66 Cb 0.11 0.41 -0.14 0.00 -0.57 0.00 0.00 34.95 34.76 1u1t s ARG 66 CO 0.52 -0.32 1.31 -2.30 -1.08 0.00 0.00 175.30 173.43 1u1t n PRO 67 N 0.46 1.66 -4.33 3.89 -0.02 -1.26 -5.01 135.00 130.38 1u1t n PRO 67 Ca -0.18 0.59 -0.18 0.00 -2.02 0.00 0.00 63.50 61.71 1u1t n PRO 67 Cb 0.60 -2.18 -0.10 0.00 -0.02 0.00 0.00 33.50 31.80 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 -0.09 1.62 0.00 -1.45 -7.23 -1.26 -5.18 120.40 106.81 1u1t s VAL 68 Ca 0.71 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 1u1t s VAL 68 Cb -0.74 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.18 1u1t s VAL 68 CO 0.50 -0.61 0.00 -1.14 -0.31 0.00 0.00 175.10 173.54