#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1t n SER 6 N 0.00 0.00 -0.06 0.26 3.41 -1.26 -2.88 113.62 113.09 1u1t n SER 6 Ca 0.00 0.04 -0.09 0.00 -0.26 0.00 0.00 58.87 58.56 1u1t n SER 6 Cb 0.00 -0.28 -0.05 0.00 -0.26 0.00 0.00 64.21 63.62 1u1t n SER 6 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1u1t n LEU 7 N -1.28 2.47 -0.08 1.04 7.94 -1.26 -4.58 117.00 121.25 1u1t n LEU 7 Ca 0.08 -0.01 -0.09 0.00 -1.11 0.00 0.00 56.01 54.88 1u1t n LEU 7 Cb 0.14 -0.38 -0.02 0.00 0.53 0.00 0.00 43.42 43.68 1u1t n LEU 7 CO 0.13 0.58 0.98 -0.61 -1.11 0.00 0.00 177.39 177.37 1u1t h GLN 8 N -0.10 0.39 0.29 1.96 4.15 -1.99 -2.51 115.11 117.29 1u1t h GLN 8 Ca -0.26 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.11 1u1t h GLN 8 Cb 1.36 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.97 1u1t h GLN 8 CO -0.07 0.28 -0.14 -0.44 -1.93 0.00 0.00 178.83 176.52 1u1t h ASP 9 N 0.38 -0.33 -0.90 -0.69 5.19 -1.82 -0.78 116.42 117.48 1u1t h ASP 9 Ca 0.11 -0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1u1t h ASP 9 Cb -0.02 0.08 -0.05 0.00 0.18 0.00 0.00 39.33 39.53 1u1t h ASP 9 CO -0.02 -0.18 0.60 -0.65 -3.12 0.00 0.00 179.24 175.86 1u1t h PRO 10 N -0.44 1.17 0.27 3.56 0.11 -1.80 0.13 132.00 135.00 1u1t h PRO 10 Ca -0.04 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 1u1t h PRO 10 Cb 0.34 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1u1t h PRO 10 CO 0.06 0.78 -0.13 -0.92 -0.21 0.00 0.00 178.00 177.58 1u1t h TYR 11 N 1.21 -0.33 -0.34 0.65 3.20 -1.32 0.00 116.97 120.04 1u1t h TYR 11 Ca 0.33 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.09 1u1t h TYR 11 Cb -0.12 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 1u1t h TYR 11 CO -0.00 -0.12 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.11 1u1t h LEU 12 N -0.49 0.66 -0.96 2.82 3.38 -0.94 -2.07 115.31 117.71 1u1t h LEU 12 Ca -0.04 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 1u1t h LEU 12 Cb 0.37 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1u1t h LEU 12 CO 0.06 0.87 -0.22 -1.13 0.09 0.00 0.00 178.44 178.11 1u1t h ASN 13 N 0.57 0.50 -0.19 -0.43 -1.24 -0.64 -0.51 115.58 113.65 1u1t h ASN 13 Ca 0.08 -0.16 -0.16 0.00 0.71 0.00 0.00 56.30 56.78 1u1t h ASN 13 Cb 0.69 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.61 1u1t h ASN 13 CO 0.05 0.73 -0.50 0.74 -1.29 0.00 0.00 177.43 177.16 1u1t h THR 14 N 0.45 1.32 -0.68 -3.57 2.02 -0.81 0.20 112.91 111.84 1u1t h THR 14 Ca 0.07 -1.73 -0.01 0.00 0.77 0.00 0.00 66.41 65.51 1u1t h THR 14 Cb 0.63 1.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 1u1t h THR 14 CO 0.05 0.54 0.38 -0.07 0.37 0.00 0.00 175.52 176.78 1u1t h LEU 15 N 0.37 0.83 0.15 2.58 3.38 -1.16 -1.07 115.31 120.39 1u1t h LEU 15 Ca -0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1u1t h LEU 15 Cb 1.11 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1u1t h LEU 15 CO 0.11 0.67 -0.07 -0.09 0.09 0.00 0.00 178.44 179.15 1u1t h ARG 16 N 0.95 -0.19 -0.71 1.13 2.43 -0.93 -1.01 114.38 116.05 1u1t h ARG 16 Ca 0.24 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1u1t h ARG 16 Cb 0.02 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1u1t h ARG 16 CO -0.04 0.23 0.45 0.87 -1.51 0.00 0.00 179.97 179.97 1u1t h LYS 17 N -0.69 0.94 -0.49 0.20 1.57 -0.82 -2.41 116.57 114.87 1u1t h LYS 17 Ca -0.02 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1u1t h LYS 17 Cb 0.50 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1u1t h LYS 17 CO 0.03 0.63 0.00 0.39 -0.57 0.00 0.00 179.45 179.93 1u1t n GLU 18 N -4.42 2.21 -4.12 3.15 1.02 -0.42 -4.95 120.64 113.12 1u1t n GLU 18 Ca 0.07 -1.87 -0.31 0.00 -0.02 0.00 0.00 57.16 55.03 1u1t n GLU 18 Cb 0.04 -1.42 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 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 1.03 -2.98 -2.52 3.49 1.74 -0.83 -4.89 116.66 111.70 1u1t n ARG 19 Ca 0.18 0.36 -0.42 0.00 -0.77 0.00 0.00 57.85 57.19 1u1t n ARG 19 Cb 0.45 -4.69 -0.03 0.00 -1.02 0.00 0.00 32.46 27.18 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 -3.70 4.40 0.31 1.55 1.01 -0.45 -4.99 120.40 118.54 1u1t s VAL 20 Ca 0.34 1.71 -0.29 0.00 0.00 0.00 0.00 61.98 63.74 1u1t s VAL 20 Cb -0.19 -4.10 -0.11 0.00 0.00 0.00 0.00 36.38 31.99 1u1t s VAL 20 CO 0.92 -0.00 1.45 -2.84 0.00 0.00 0.00 175.10 174.62 1u1t s PRO 21 N 2.19 4.22 0.09 2.72 0.02 -1.26 -4.55 135.00 138.43 1u1t s PRO 21 Ca 0.54 2.41 0.03 0.00 0.02 0.00 0.00 61.00 63.99 1u1t s PRO 21 Cb -0.23 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 1u1t s PRO 21 CO 0.21 -0.43 -0.08 0.14 -0.33 0.00 0.00 177.00 176.50 1u1t s VAL 22 N -0.60 0.81 -0.15 3.83 -7.23 0.27 -0.37 120.40 116.97 1u1t s VAL 22 Ca 0.56 -1.71 -0.01 0.00 -1.81 0.00 0.00 61.98 59.01 1u1t s VAL 22 Cb -0.44 -1.41 -0.01 0.00 0.56 0.00 0.00 36.38 35.08 1u1t s VAL 22 CO 0.52 -0.67 -0.11 -0.44 -0.31 0.00 0.00 175.10 174.09 1u1t s SER 23 N -2.61 4.04 -0.23 4.85 0.01 -0.46 -2.12 113.70 117.17 1u1t s SER 23 Ca 0.07 -0.35 -0.01 0.00 1.31 0.00 0.00 55.95 56.96 1u1t s SER 23 Cb -0.00 -1.63 0.02 0.00 0.21 0.00 0.00 66.02 64.61 1u1t s SER 23 CO -0.02 0.12 -0.09 -0.63 0.41 0.00 0.00 173.24 173.03 1u1t s ILE 24 N 0.64 2.75 -0.09 1.44 1.01 0.19 -0.56 121.20 126.59 1u1t s ILE 24 Ca -0.06 -0.97 -0.14 0.00 0.00 0.00 0.00 60.65 59.47 1u1t s ILE 24 Cb -0.15 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.92 1u1t s ILE 24 CO 0.03 0.28 0.36 -0.31 0.00 0.00 0.00 174.94 175.30 1u1t s TYR 25 N 1.33 3.59 0.44 3.97 2.02 -0.34 -0.12 117.35 128.23 1u1t s TYR 25 Ca 0.01 0.80 -0.00 0.00 -0.37 0.00 0.00 57.07 57.51 1u1t s TYR 25 Cb -0.16 -2.33 -0.01 0.00 -0.40 0.00 0.00 41.96 39.06 1u1t s TYR 25 CO -0.06 0.43 0.67 -0.51 -1.57 0.00 0.00 175.55 174.50 1u1t s LEU 26 N -0.24 3.70 0.57 -1.29 1.43 0.45 -0.98 118.68 122.32 1u1t s LEU 26 Ca 0.21 0.39 0.27 0.00 -1.03 0.00 0.00 54.13 53.97 1u1t s LEU 26 Cb -0.15 -3.27 1.67 0.00 0.03 0.00 0.00 46.19 44.48 1u1t s LEU 26 CO 0.09 -0.63 2.22 -0.37 0.23 0.00 0.00 176.35 177.89 1u1t h VAL 27 N 0.43 0.63 -0.16 -1.59 -1.51 -1.12 -1.26 116.25 111.67 1u1t h VAL 27 Ca -0.47 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1u1t h VAL 27 Cb 1.24 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 1u1t h VAL 27 CO 0.59 0.01 0.00 -0.46 -1.23 0.00 0.00 177.57 176.48 1u1t n ASN 28 N -3.97 1.09 0.00 4.19 0.23 -1.26 -4.90 115.26 110.63 1u1t n ASN 28 Ca -0.03 -1.80 0.00 0.00 -0.53 0.00 0.00 54.58 52.22 1u1t n ASN 28 Cb 0.10 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 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 0.92 0.99 3.77 4.83 0.00 -0.48 -5.05 105.19 110.16 1u1t n GLY 29 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.43 3.75 -0.19 -0.61 1.01 -1.26 -4.78 121.20 116.68 1u1t s ILE 30 Ca 0.00 1.60 -0.04 0.00 0.00 0.00 0.00 60.65 62.21 1u1t s ILE 30 Cb 0.00 -3.96 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 1u1t s ILE 30 CO 0.00 0.27 -0.03 -0.75 0.00 0.00 0.00 174.94 174.43 1u1t s LYS 31 N -1.75 3.54 0.02 2.79 2.20 -1.26 -0.41 119.74 124.87 1u1t s LYS 31 Ca 0.48 -0.56 0.03 0.00 -0.36 0.00 0.00 55.97 55.56 1u1t s LYS 31 Cb -0.27 -3.00 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 1u1t s LYS 31 CO 0.34 0.01 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.79 1u1t s LEU 32 N 0.98 3.34 0.07 5.43 1.43 0.82 -4.93 118.68 125.82 1u1t s LEU 32 Ca 0.01 -0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1u1t s LEU 32 Cb -0.14 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 1u1t s LEU 32 CO 0.01 0.26 -0.11 -1.10 0.23 0.00 0.00 176.35 175.65 1u1t s GLN 33 N -1.61 0.74 0.00 1.70 -0.21 -1.26 0.56 119.66 119.58 1u1t s GLN 33 Ca 0.19 -0.97 0.00 0.00 0.02 0.00 0.00 55.36 54.60 1u1t s GLN 33 Cb -0.11 -0.57 0.00 0.00 1.00 0.00 0.00 33.01 33.32 1u1t s GLN 33 CO 0.10 0.11 0.00 0.41 -2.12 0.00 0.00 175.29 173.79 1u1t n GLY 34 N 1.09 -0.05 3.48 3.09 0.00 -0.90 -4.74 105.19 107.15 1u1t n GLY 34 Ca -0.20 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 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 1.92 -0.36 1.61 1.11 -0.02 -0.57 119.66 121.35 1u1t s GLN 35 Ca 0.00 -1.09 -0.27 0.00 0.01 0.00 0.00 55.36 54.01 1u1t s GLN 35 Cb 0.00 -2.15 0.02 0.00 -1.01 0.00 0.00 33.01 29.86 1u1t s GLN 35 CO 0.00 0.51 1.01 0.42 0.01 0.00 0.00 175.29 177.23 1u1t s ILE 36 N -1.05 4.51 0.03 1.08 1.01 -1.26 -0.91 121.20 124.61 1u1t s ILE 36 Ca 0.17 1.40 -0.02 0.00 0.00 0.00 0.00 60.65 62.20 1u1t s ILE 36 Cb -0.11 -4.40 -0.27 0.00 0.01 0.00 0.00 42.46 37.70 1u1t s ILE 36 CO 0.08 -0.57 0.95 -0.08 0.00 0.00 0.00 174.94 175.32 1u1t h GLU 37 N 8.42 0.22 -1.73 2.79 4.81 -1.25 -3.40 114.58 124.45 1u1t h GLU 37 Ca -0.22 -0.38 0.27 0.00 -0.13 0.00 0.00 59.36 58.90 1u1t h GLU 37 Cb 1.07 0.14 -0.11 0.00 0.63 0.00 0.00 28.75 30.48 1u1t h GLU 37 CO 1.02 1.10 0.72 -1.54 -0.73 0.00 0.00 179.01 179.58 1u1t s SER 38 N -6.96 -0.10 0.20 1.04 1.04 -1.22 -5.01 113.70 102.69 1u1t s SER 38 Ca -0.07 -0.21 -0.23 0.00 0.48 0.00 0.00 55.95 55.93 1u1t s SER 38 Cb 0.07 0.26 0.05 0.00 0.10 0.00 0.00 66.02 66.50 1u1t s SER 38 CO 0.86 -0.48 0.74 0.72 0.98 0.00 0.00 173.24 176.06 1u1t s PHE 39 N -2.69 -0.30 0.00 5.02 -0.71 -1.26 0.06 117.98 118.10 1u1t s PHE 39 Ca 0.13 -0.03 0.00 0.00 -1.04 0.00 0.00 56.93 55.99 1u1t s PHE 39 Cb 0.03 0.64 0.00 0.00 -1.21 0.00 0.00 43.02 42.47 1u1t s PHE 39 CO -0.02 -0.99 0.00 -0.40 -1.34 0.00 0.00 175.22 172.46 1u1t n ASP 40 N -0.42 0.00 0.22 1.98 5.68 -0.64 -5.01 116.55 118.36 1u1t n ASP 40 Ca -0.09 -0.63 0.14 0.00 -0.50 0.00 0.00 54.79 53.72 1u1t n ASP 40 Cb 0.61 0.00 0.78 0.00 -1.14 0.00 0.00 41.12 41.37 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 -3.31 115.11 114.02 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 0.00 -1.06 1.19 -1.93 0.00 0.00 178.83 177.03 1u1t n PHE 42 N -4.11 0.00 -4.27 3.99 3.72 -1.26 -4.97 117.46 110.56 1u1t n PHE 42 Ca 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 1u1t n PHE 42 Cb 0.23 -0.03 -0.10 0.00 -0.94 0.00 0.00 39.48 38.63 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 -2.08 0.76 -0.08 -4.37 -7.23 -1.25 -0.83 120.40 105.32 1u1t s VAL 43 Ca -0.00 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 1u1t s VAL 43 Cb 0.01 -2.21 0.02 0.00 0.56 0.00 0.00 36.38 34.75 1u1t s VAL 43 CO 0.05 -0.40 -0.09 -0.63 -0.31 0.00 0.00 175.10 173.72 1u1t s ILE 44 N -3.60 1.02 -0.32 -0.62 1.01 0.06 -1.63 121.20 117.12 1u1t s ILE 44 Ca 0.26 -0.36 -0.19 0.00 0.00 0.00 0.00 60.65 60.36 1u1t s ILE 44 Cb 0.06 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.53 1u1t s ILE 44 CO 0.06 0.35 0.58 -0.22 0.00 0.00 0.00 174.94 175.70 1u1t s LEU 45 N 1.13 4.20 -0.21 2.97 2.96 0.11 -0.81 118.68 129.03 1u1t s LEU 45 Ca -0.06 0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 54.07 1u1t s LEU 45 Cb -0.14 -2.72 -0.03 0.00 0.50 0.00 0.00 46.19 43.81 1u1t s LEU 45 CO -0.02 -0.46 0.01 -0.22 -1.32 0.00 0.00 176.35 174.35 1u1t s LEU 46 N 2.51 3.30 0.06 -0.68 2.96 0.06 -0.64 118.68 126.24 1u1t s LEU 46 Ca 0.22 -0.19 0.07 0.00 -0.22 0.00 0.00 54.13 54.01 1u1t s LEU 46 Cb -0.15 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 1u1t s LEU 46 CO 0.12 0.05 -0.16 -1.59 -1.32 0.00 0.00 176.35 173.46 1u1t s LYS 47 N 1.08 2.10 0.00 1.98 -2.85 -0.09 -0.81 119.74 121.15 1u1t s LYS 47 Ca 0.03 -0.98 0.00 0.00 -1.00 0.00 0.00 55.97 54.01 1u1t s LYS 47 Cb -0.14 -2.23 0.00 0.00 -2.06 0.00 0.00 37.83 33.39 1u1t s LYS 47 CO 0.02 0.53 0.00 -1.71 0.10 0.00 0.00 175.35 174.29 1u1t n ASN 48 N 1.33 0.00 0.09 0.03 2.85 -1.26 -0.84 115.26 117.45 1u1t n ASN 48 Ca -0.16 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.33 1u1t n ASN 48 Cb 0.52 0.00 0.36 0.00 1.24 0.00 0.00 39.78 41.90 1u1t n ASN 48 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1u1t h THR 49 N 0.00 1.19 -3.27 -0.44 2.02 -1.96 -3.39 112.91 107.05 1u1t h THR 49 Ca 0.00 -0.81 -0.50 0.00 0.77 0.00 0.00 66.41 65.87 1u1t h THR 49 Cb 0.00 1.17 -0.39 0.00 -1.74 0.00 0.00 68.15 67.19 1u1t h THR 49 CO 0.00 0.26 -0.77 0.54 0.37 0.00 0.00 175.52 175.92 1u1t s VAL 50 N -4.76 0.55 0.23 3.16 0.11 -1.26 -5.13 120.40 113.31 1u1t s VAL 50 Ca -0.06 -0.37 -0.30 0.00 -2.93 0.00 0.00 61.98 58.33 1u1t s VAL 50 Cb 0.15 -0.92 -0.09 0.00 -1.53 0.00 0.00 36.38 34.00 1u1t s VAL 50 CO 0.74 -0.03 1.00 -0.55 -3.33 0.00 0.00 175.10 172.93 1u1t s SER 51 N 1.86 7.50 0.02 3.54 0.15 -1.26 -4.61 113.70 120.91 1u1t s SER 51 Ca 0.01 2.03 -0.28 0.00 0.70 0.00 0.00 55.95 58.42 1u1t s SER 51 Cb -0.15 -2.61 0.09 0.00 -1.71 0.00 0.00 66.02 61.64 1u1t s SER 51 CO -0.07 0.03 0.79 0.00 1.20 0.00 0.00 173.24 175.18 1u1t s GLN 52 N -1.08 0.96 -0.23 5.44 -2.07 0.01 -5.00 119.66 117.68 1u1t s GLN 52 Ca 0.43 -0.22 -0.11 0.00 -1.82 0.00 0.00 55.36 53.64 1u1t s GLN 52 Cb -0.28 0.45 -0.05 0.00 -1.09 0.00 0.00 33.01 32.04 1u1t s GLN 52 CO 0.34 -0.39 0.16 1.41 -1.32 0.00 0.00 175.29 175.49 1u1t s MET 53 N -2.80 4.10 -0.16 9.60 -2.45 -1.26 -0.76 119.30 125.56 1u1t s MET 53 Ca 0.01 -0.25 -0.01 0.00 -1.25 0.00 0.00 55.69 54.19 1u1t s MET 53 Cb -0.01 -3.52 -0.01 0.00 1.25 0.00 0.00 34.83 32.55 1u1t s MET 53 CO -0.06 0.11 -0.11 0.08 1.05 0.00 0.00 175.02 176.08 1u1t s VAL 54 N 0.92 3.10 -0.05 10.11 1.01 0.01 -4.96 120.40 130.54 1u1t s VAL 54 Ca 0.08 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 1u1t s VAL 54 Cb -0.13 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1u1t s VAL 54 CO 0.03 0.50 1.07 -0.31 0.00 0.00 0.00 175.10 176.39 1u1t s TYR 55 N 0.73 3.45 0.36 5.22 2.02 -1.26 -0.76 117.35 127.11 1u1t s TYR 55 Ca -0.05 1.48 0.10 0.00 -0.37 0.00 0.00 57.07 58.23 1u1t s TYR 55 Cb -0.15 -3.26 0.84 0.00 -0.40 0.00 0.00 41.96 38.98 1u1t s TYR 55 CO 0.02 -0.59 1.88 0.87 -1.57 0.00 0.00 175.55 176.16 1u1t h LYS 56 N 7.10 0.65 -0.01 -0.62 1.57 -1.33 -1.26 116.57 122.67 1u1t h LYS 56 Ca -0.35 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1u1t h LYS 56 Cb 1.17 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 1u1t h LYS 56 CO 0.84 0.43 0.05 1.12 -0.57 0.00 0.00 179.45 181.32 1u1t h HIS 57 N 0.67 0.00 -0.01 -1.35 2.07 -1.92 0.67 115.15 115.27 1u1t h HIS 57 Ca 0.43 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.95 1u1t h HIS 57 Cb 0.71 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.69 1u1t h HIS 57 CO -0.00 0.00 -0.19 0.00 -3.07 0.00 0.00 177.93 174.67 1u1t n ALA 58 N -2.11 2.94 -2.63 6.11 0.00 -0.48 -4.91 120.51 119.43 1u1t n ALA 58 Ca -0.03 -0.50 -0.38 0.00 0.00 0.00 0.00 53.44 52.54 1u1t n ALA 58 Cb 0.12 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 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 -2.29 5.14 -0.21 0.00 1.01 0.23 -0.56 121.20 124.52 1u1t s ILE 59 Ca 0.28 0.84 -0.16 0.00 0.00 0.00 0.00 60.65 61.61 1u1t s ILE 59 Cb 0.20 -3.75 -0.10 0.00 0.01 0.00 0.00 42.46 38.82 1u1t s ILE 59 CO 0.45 0.43 -0.20 -1.54 0.00 0.00 0.00 174.94 174.08 1u1t n SER 60 N 2.94 1.91 -3.94 3.58 3.41 -0.15 -4.72 113.62 116.64 1u1t n SER 60 Ca -0.11 0.41 -0.09 0.00 -0.26 0.00 0.00 58.87 58.82 1u1t n SER 60 Cb 0.52 -0.84 -0.10 0.00 -0.26 0.00 0.00 64.21 63.54 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 -2.54 0.13 -0.21 6.66 -4.23 -1.12 -5.02 115.64 109.30 1u1t s THR 61 Ca -0.30 -1.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 1u1t s THR 61 Cb 0.08 -0.83 0.03 0.00 1.34 0.00 0.00 72.50 73.12 1u1t s THR 61 CO 0.44 -0.59 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.09 1u1t s VAL 62 N -2.46 2.26 -0.37 2.29 1.01 -1.26 -1.20 120.40 120.67 1u1t s VAL 62 Ca -0.06 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 60.80 1u1t s VAL 62 Cb -0.02 -2.07 0.09 0.00 0.00 0.00 0.00 36.38 34.38 1u1t s VAL 62 CO -0.04 0.36 0.12 -0.69 0.00 0.00 0.00 175.10 174.85 1u1t s VAL 63 N 1.26 3.16 0.60 2.92 1.01 0.28 -4.98 120.40 124.64 1u1t s VAL 63 Ca 0.01 -1.80 -0.19 0.00 0.00 0.00 0.00 61.98 60.00 1u1t s VAL 63 Cb -0.15 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1u1t s VAL 63 CO -0.10 -0.47 1.20 -2.84 0.00 0.00 0.00 175.10 172.90 1u1t s PRO 64 N 1.18 2.95 0.48 2.72 0.02 -1.26 -1.36 135.00 139.73 1u1t s PRO 64 Ca 0.04 1.81 0.32 0.00 0.02 0.00 0.00 61.00 63.18 1u1t s PRO 64 Cb -0.21 -1.93 1.39 0.00 0.02 0.00 0.00 34.50 33.77 1u1t s PRO 64 CO -0.03 -1.21 1.94 0.66 -0.33 0.00 0.00 177.00 178.03 1u1t h SER 65 N 0.84 0.00 -5.00 2.53 4.64 -1.03 -3.44 113.55 112.09 1u1t h SER 65 Ca -0.50 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.72 1u1t h SER 65 Cb 1.30 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.19 1u1t h SER 65 CO 0.55 0.00 -0.11 0.00 -0.87 0.00 0.00 176.83 176.40 1u1t s ARG 66 N -3.63 0.83 0.52 4.77 1.70 -1.26 -5.06 118.95 116.81 1u1t s ARG 66 Ca 0.01 -0.10 -0.23 0.00 -0.47 0.00 0.00 55.73 54.94 1u1t s ARG 66 Cb 0.09 0.38 -0.06 0.00 -0.57 0.00 0.00 34.95 34.79 1u1t s ARG 66 CO 0.47 -0.25 1.33 -2.30 -1.08 0.00 0.00 175.30 173.46 1u1t n PRO 67 N 1.02 1.75 -4.98 3.89 -0.02 -1.26 -5.01 135.00 130.38 1u1t n PRO 67 Ca -0.20 0.64 -0.32 0.00 -2.02 0.00 0.00 63.50 61.60 1u1t n PRO 67 Cb 0.57 -2.52 -0.14 0.00 -0.02 0.00 0.00 33.50 31.39 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 -1.28 2.65 -0.22 -1.45 -7.23 -1.26 -5.11 120.40 106.50 1u1t s VAL 68 Ca 0.69 -0.96 -0.11 0.00 -1.81 0.00 0.00 61.98 59.79 1u1t s VAL 68 Cb -0.44 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.44 1u1t s VAL 68 CO 0.52 0.53 0.17 -0.60 -0.31 0.00 0.00 175.10 175.41 1u1t s ARG 69 N -0.85 4.12 0.00 4.82 3.52 -1.26 -5.15 118.95 124.15 1u1t s ARG 69 Ca 0.12 -0.21 0.22 0.00 -0.13 0.00 0.00 55.73 55.72 1u1t s ARG 69 Cb -0.10 -3.50 0.17 0.00 -1.56 0.00 0.00 34.95 29.96 1u1t s ARG 69 CO 0.01 0.13 1.19 1.28 -0.81 0.00 0.00 175.30 177.10