#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1s h SER 6 N 0.00 0.00 0.00 0.26 4.64 -2.06 -2.90 113.55 113.49 1u1s h SER 6 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1u1s h SER 6 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1u1s h SER 6 CO 0.00 0.00 -1.51 -0.11 -0.87 0.00 0.00 176.83 174.34 1u1s n LEU 7 N -2.71 0.65 -0.11 5.97 7.94 -1.26 -4.61 117.00 122.88 1u1s n LEU 7 Ca -0.02 0.11 -0.05 0.00 -1.11 0.00 0.00 56.01 54.94 1u1s n LEU 7 Cb 0.06 -0.27 0.02 0.00 0.53 0.00 0.00 43.42 43.76 1u1s n LEU 7 CO 0.16 0.19 0.88 -0.61 -1.11 0.00 0.00 177.39 176.89 1u1s h GLN 8 N -0.33 0.14 0.60 1.96 4.15 -2.00 -1.78 115.11 117.86 1u1s h GLN 8 Ca -0.23 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.15 1u1s h GLN 8 Cb 1.20 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.87 1u1s h GLN 8 CO -0.14 0.09 -0.29 -0.44 -1.93 0.00 0.00 178.83 176.12 1u1s h ASP 9 N 0.15 -0.68 -0.40 -0.69 3.32 -1.81 -0.71 116.42 115.59 1u1s h ASP 9 Ca 0.18 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.25 1u1s h ASP 9 Cb 0.24 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1u1s h ASP 9 CO -0.28 -0.44 0.27 1.55 -1.72 0.00 0.00 179.24 178.62 1u1s h PRO 10 N -0.87 0.47 0.22 3.56 0.13 -1.77 0.33 132.00 134.07 1u1s h PRO 10 Ca -0.08 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 1u1s h PRO 10 Cb 0.64 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1u1s h PRO 10 CO 0.14 0.31 -0.10 -0.92 -0.23 0.00 0.00 178.00 177.19 1u1s h TYR 11 N 0.48 -0.27 -0.31 1.56 3.20 -1.16 0.28 116.97 120.75 1u1s h TYR 11 Ca 0.16 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.92 1u1s h TYR 11 Cb 0.04 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1u1s h TYR 11 CO -0.00 -0.01 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.21 1u1s h LEU 12 N -0.51 0.61 -0.82 2.82 3.38 -0.76 -2.09 115.31 117.94 1u1s h LEU 12 Ca -0.03 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.62 1u1s h LEU 12 Cb 0.38 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1u1s h LEU 12 CO 0.05 0.84 -0.34 -1.13 0.09 0.00 0.00 178.44 177.95 1u1s h ASN 13 N 0.53 0.50 -0.43 -0.43 -1.24 -0.27 0.80 115.58 115.05 1u1s h ASN 13 Ca 0.08 -0.20 -0.13 0.00 0.71 0.00 0.00 56.30 56.76 1u1s h ASN 13 Cb 0.69 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.59 1u1s h ASN 13 CO 0.05 0.81 -0.25 0.74 -1.29 0.00 0.00 177.43 177.49 1u1s h THR 14 N 0.41 1.27 -0.71 -3.57 2.02 -0.73 0.16 112.91 111.76 1u1s h THR 14 Ca 0.05 -1.41 -0.05 0.00 0.77 0.00 0.00 66.41 65.78 1u1s h THR 14 Cb 0.79 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 1u1s h THR 14 CO 0.06 0.48 0.26 -0.07 0.37 0.00 0.00 175.52 176.62 1u1s h LEU 15 N 0.75 0.98 0.45 2.58 3.38 -1.08 -0.44 115.31 121.93 1u1s h LEU 15 Ca 0.09 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1u1s h LEU 15 Cb 0.82 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1u1s h LEU 15 CO 0.07 0.89 -0.21 -0.09 0.09 0.00 0.00 178.44 179.19 1u1s h ARG 16 N 1.03 -0.58 -0.83 1.13 2.43 -0.50 -1.96 114.38 115.11 1u1s h ARG 16 Ca 0.24 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.49 1u1s h ARG 16 Cb 0.23 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 1u1s h ARG 16 CO -0.02 -0.27 0.52 0.87 -1.51 0.00 0.00 179.97 179.57 1u1s h LYS 17 N -0.91 0.97 -0.07 0.20 1.57 -0.62 -2.30 116.57 115.41 1u1s h LYS 17 Ca -0.06 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1u1s h LYS 17 Cb 0.57 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1u1s h LYS 17 CO 0.10 0.64 0.00 0.39 -0.57 0.00 0.00 179.45 180.01 1u1s n GLU 18 N -4.60 1.43 -4.17 3.15 -0.58 -0.18 -4.93 120.64 110.76 1u1s n GLU 18 Ca 0.11 -0.64 -0.34 0.00 -0.42 0.00 0.00 57.16 55.87 1u1s n GLU 18 Cb 0.12 -1.40 -0.03 0.00 -0.57 0.00 0.00 31.44 29.56 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 -0.17 -3.00 -2.54 3.49 1.74 -0.79 -4.90 116.66 110.49 1u1s n ARG 19 Ca 0.17 0.36 -0.42 0.00 -0.77 0.00 0.00 57.85 57.19 1u1s n ARG 19 Cb 0.24 -4.86 -0.03 0.00 -1.02 0.00 0.00 32.46 26.79 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 -3.52 4.41 0.18 1.55 1.01 -0.90 -4.98 120.40 118.15 1u1s s VAL 20 Ca 0.52 1.72 -0.31 0.00 0.00 0.00 0.00 61.98 63.91 1u1s s VAL 20 Cb -0.28 -4.11 -0.10 0.00 0.00 0.00 0.00 36.38 31.89 1u1s s VAL 20 CO 0.93 0.05 1.57 -2.84 0.00 0.00 0.00 175.10 174.80 1u1s s PRO 21 N 1.76 4.21 0.24 2.72 0.02 -1.26 -4.57 135.00 138.12 1u1s s PRO 21 Ca 0.54 2.38 0.08 0.00 0.02 0.00 0.00 61.00 64.02 1u1s s PRO 21 Cb -0.24 -3.14 -0.05 0.00 0.02 0.00 0.00 34.50 31.09 1u1s s PRO 21 CO 0.23 -0.60 -0.14 0.14 -0.33 0.00 0.00 177.00 176.30 1u1s s VAL 22 N 1.04 1.89 -0.21 3.83 -7.23 0.32 -0.94 120.40 119.10 1u1s s VAL 22 Ca 0.69 -2.24 -0.00 0.00 -1.81 0.00 0.00 61.98 58.63 1u1s s VAL 22 Cb -0.44 -2.19 0.02 0.00 0.56 0.00 0.00 36.38 34.33 1u1s s VAL 22 CO 0.32 -0.49 -0.13 -0.44 -0.31 0.00 0.00 175.10 174.05 1u1s s SER 23 N -3.39 3.78 -0.27 4.85 0.01 -0.03 -2.11 113.70 116.54 1u1s s SER 23 Ca 0.26 -0.76 -0.09 0.00 1.31 0.00 0.00 55.95 56.68 1u1s s SER 23 Cb -0.01 -1.58 -0.03 0.00 0.21 0.00 0.00 66.02 64.62 1u1s s SER 23 CO 0.10 -0.06 0.11 -0.63 0.41 0.00 0.00 173.24 173.17 1u1s s ILE 24 N 1.31 4.56 -0.18 1.44 1.09 0.18 -0.72 121.20 128.88 1u1s s ILE 24 Ca 0.02 -0.17 -0.13 0.00 -1.10 0.00 0.00 60.65 59.27 1u1s s ILE 24 Cb -0.15 -3.19 -0.05 0.00 -1.06 0.00 0.00 42.46 38.02 1u1s s ILE 24 CO -0.08 0.26 0.27 -0.31 -0.10 0.00 0.00 174.94 174.98 1u1s s TYR 25 N 1.64 3.42 0.43 3.97 1.51 0.25 0.03 117.35 128.60 1u1s s TYR 25 Ca 0.06 0.51 -0.03 0.00 -1.01 0.00 0.00 57.07 56.60 1u1s s TYR 25 Cb -0.16 -2.34 -0.04 0.00 -0.11 0.00 0.00 41.96 39.31 1u1s s TYR 25 CO 0.06 0.17 0.70 -0.51 -1.11 0.00 0.00 175.55 174.86 1u1s s LEU 26 N 0.70 3.77 0.59 -1.29 1.43 -0.03 0.04 118.68 123.88 1u1s s LEU 26 Ca 0.15 0.77 0.29 0.00 -1.03 0.00 0.00 54.13 54.31 1u1s s LEU 26 Cb -0.13 -3.69 1.79 0.00 0.03 0.00 0.00 46.19 44.19 1u1s s LEU 26 CO 0.04 -0.47 2.25 -0.37 0.23 0.00 0.00 176.35 178.03 1u1s h VAL 27 N 0.45 0.55 0.00 -1.59 -1.51 -1.22 -0.96 116.25 111.98 1u1s h VAL 27 Ca -0.48 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 1u1s h VAL 27 Cb 1.21 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 1u1s h VAL 27 CO 0.62 0.00 -0.06 -0.46 -1.23 0.00 0.00 177.57 176.44 1u1s n ASN 28 N -3.87 0.16 0.00 4.19 0.23 -1.26 -4.91 115.26 109.79 1u1s n ASN 28 Ca -0.03 0.42 0.00 0.00 -0.53 0.00 0.00 54.58 54.44 1u1s n ASN 28 Cb 0.09 -0.44 0.00 0.00 -2.08 0.00 0.00 39.78 37.35 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 1.48 2.60 3.78 4.83 0.00 -0.36 -5.09 105.19 112.43 1u1s n GLY 29 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.35 2.25 -0.19 -0.61 1.09 -1.26 -4.73 121.20 115.40 1u1s s ILE 30 Ca 0.00 0.25 -0.04 0.00 -1.10 0.00 0.00 60.65 59.75 1u1s s ILE 30 Cb 0.00 -3.16 -0.02 0.00 -1.06 0.00 0.00 42.46 38.22 1u1s s ILE 30 CO 0.00 0.06 -0.02 -0.75 -0.10 0.00 0.00 174.94 174.13 1u1s s LYS 31 N -2.04 3.61 0.02 2.79 2.20 -1.26 -0.85 119.74 124.21 1u1s s LYS 31 Ca 0.52 -0.53 0.03 0.00 -0.36 0.00 0.00 55.97 55.63 1u1s s LYS 31 Cb -0.44 -3.02 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1u1s s LYS 31 CO 0.60 0.06 -0.02 -0.51 -0.36 0.00 0.00 175.35 175.12 1u1s s LEU 32 N 0.85 3.39 0.04 5.43 1.43 0.10 -4.95 118.68 124.98 1u1s s LEU 32 Ca 0.00 -0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1u1s s LEU 32 Cb -0.14 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 1u1s s LEU 32 CO 0.02 0.26 -0.11 -1.10 0.23 0.00 0.00 176.35 175.64 1u1s s GLN 33 N -1.69 0.74 0.00 1.70 -0.21 -1.26 0.52 119.66 119.45 1u1s s GLN 33 Ca 0.20 -0.75 0.00 0.00 0.02 0.00 0.00 55.36 54.84 1u1s s GLN 33 Cb -0.11 -0.67 0.00 0.00 1.00 0.00 0.00 33.01 33.22 1u1s s GLN 33 CO 0.11 0.16 0.00 0.41 -2.12 0.00 0.00 175.29 173.85 1u1s n GLY 34 N 1.73 -0.27 3.27 3.09 0.00 -0.90 -4.94 105.19 107.17 1u1s n GLY 34 Ca -0.20 -1.17 -0.25 0.00 0.00 0.00 0.00 46.02 44.40 1u1s n GLY 34 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u1s s GLN 35 N -2.00 1.33 -0.32 1.61 -0.21 -1.13 -0.52 119.66 118.41 1u1s s GLN 35 Ca 0.00 -1.02 -0.29 0.00 0.02 0.00 0.00 55.36 54.07 1u1s s GLN 35 Cb 0.00 -1.50 0.01 0.00 1.00 0.00 0.00 33.01 32.52 1u1s s GLN 35 CO 0.00 0.37 1.19 0.42 -2.12 0.00 0.00 175.29 175.16 1u1s s ILE 36 N -0.91 4.30 -0.06 1.08 -1.09 -1.26 -0.74 121.20 122.51 1u1s s ILE 36 Ca 0.07 1.47 -0.18 0.00 -2.23 0.00 0.00 60.65 59.78 1u1s s ILE 36 Cb -0.09 -4.31 -0.30 0.00 -1.58 0.00 0.00 42.46 36.18 1u1s s ILE 36 CO 0.03 -0.53 0.75 -0.08 -1.23 0.00 0.00 174.94 173.88 1u1s h GLU 37 N 8.79 0.31 -2.27 2.79 4.57 -1.36 -3.40 114.58 124.02 1u1s h GLU 37 Ca -0.23 -0.52 0.20 0.00 -1.18 0.00 0.00 59.36 57.62 1u1s h GLU 37 Cb 1.08 0.19 -0.07 0.00 -0.16 0.00 0.00 28.75 29.79 1u1s h GLU 37 CO 1.04 1.25 0.59 -1.54 -1.18 0.00 0.00 179.01 179.17 1u1s s SER 38 N -7.08 -0.08 -0.05 1.04 1.04 -1.23 -5.02 113.70 102.33 1u1s s SER 38 Ca -0.16 -0.46 -0.29 0.00 0.48 0.00 0.00 55.95 55.52 1u1s s SER 38 Cb 0.03 0.43 0.10 0.00 0.10 0.00 0.00 66.02 66.68 1u1s s SER 38 CO 0.82 -0.83 0.84 0.72 0.98 0.00 0.00 173.24 175.78 1u1s s PHE 39 N -2.69 -0.45 0.00 5.02 -0.71 -1.26 -0.93 117.98 116.96 1u1s s PHE 39 Ca 0.17 0.57 0.00 0.00 -1.04 0.00 0.00 56.93 56.62 1u1s s PHE 39 Cb -0.01 0.48 0.00 0.00 -1.21 0.00 0.00 43.02 42.29 1u1s s PHE 39 CO 0.02 -0.53 0.00 -0.40 -1.34 0.00 0.00 175.22 172.98 1u1s n ASP 40 N 0.31 0.90 0.24 1.98 5.68 -0.51 -5.00 116.55 120.15 1u1s n ASP 40 Ca -0.12 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.25 1u1s n ASP 40 Cb 0.60 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.17 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 0.00 0.00 0.11 4.15 -2.04 -3.34 115.11 113.99 1u1s h GLN 41 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1u1s h GLN 41 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1u1s h GLN 41 CO 0.00 0.16 -0.97 1.19 -1.93 0.00 0.00 178.83 177.27 1u1s n PHE 42 N -4.08 0.00 -4.21 3.99 3.72 -1.26 -4.97 117.46 110.65 1u1s n PHE 42 Ca -0.02 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.25 1u1s n PHE 42 Cb 0.24 -0.05 -0.10 0.00 -0.94 0.00 0.00 39.48 38.63 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 -2.03 0.70 -0.06 -4.37 -7.23 -1.25 -0.94 120.40 105.21 1u1s s VAL 43 Ca -0.01 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1u1s s VAL 43 Cb 0.01 -1.95 0.01 0.00 0.56 0.00 0.00 36.38 35.02 1u1s s VAL 43 CO 0.09 -0.63 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.50 1u1s s ILE 44 N -3.64 1.13 -0.33 -0.62 1.01 0.03 -1.42 121.20 117.36 1u1s s ILE 44 Ca 0.19 -0.48 -0.15 0.00 0.00 0.00 0.00 60.65 60.21 1u1s s ILE 44 Cb 0.06 -1.03 -0.02 0.00 0.01 0.00 0.00 42.46 41.48 1u1s s ILE 44 CO 0.01 0.35 0.38 -0.76 0.00 0.00 0.00 174.94 174.92 1u1s s LEU 45 N 0.63 4.33 -0.29 2.97 1.43 -0.11 -0.44 118.68 127.21 1u1s s LEU 45 Ca -0.14 -0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 52.76 1u1s s LEU 45 Cb -0.15 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 1u1s s LEU 45 CO 0.04 -0.32 0.17 -0.22 0.23 0.00 0.00 176.35 176.25 1u1s s LEU 46 N 2.07 4.03 -0.09 1.79 2.96 -0.23 -0.84 118.68 128.37 1u1s s LEU 46 Ca 0.13 -0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 53.73 1u1s s LEU 46 Cb -0.16 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1u1s s LEU 46 CO 0.11 -0.12 0.11 -1.59 -1.32 0.00 0.00 176.35 173.55 1u1s s LYS 47 N 1.69 3.31 0.00 1.98 -2.85 0.08 -0.82 119.74 123.13 1u1s s LYS 47 Ca 0.06 -0.24 0.00 0.00 -1.00 0.00 0.00 55.97 54.79 1u1s s LYS 47 Cb -0.16 -3.07 0.00 0.00 -2.06 0.00 0.00 37.83 32.54 1u1s s LYS 47 CO 0.08 0.74 0.00 -1.71 0.10 0.00 0.00 175.35 174.56 1u1s n ASN 48 N 1.80 0.00 -0.01 0.03 5.15 -1.26 -2.85 115.26 118.12 1u1s n ASN 48 Ca -0.18 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.68 1u1s n ASN 48 Cb 0.54 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.71 1u1s n ASN 48 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1u1s h THR 49 N 0.00 1.24 -3.65 -0.44 2.02 -1.98 -3.42 112.91 106.67 1u1s h THR 49 Ca 0.00 -0.72 -0.38 0.00 0.77 0.00 0.00 66.41 66.09 1u1s h THR 49 Cb 0.00 1.63 -0.32 0.00 -1.74 0.00 0.00 68.15 67.72 1u1s h THR 49 CO 0.00 0.20 -0.76 -0.69 0.37 0.00 0.00 175.52 174.63 1u1s s VAL 50 N -5.03 0.47 0.72 3.16 1.01 -1.26 -5.14 120.40 114.32 1u1s s VAL 50 Ca -0.15 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 1u1s s VAL 50 Cb 0.04 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.97 1u1s s VAL 50 CO 0.68 0.18 1.07 -0.44 0.00 0.00 0.00 175.10 176.60 1u1s s SER 51 N 0.52 5.25 -0.01 3.32 0.01 -1.26 -4.82 113.70 116.71 1u1s s SER 51 Ca -0.06 1.39 -0.04 0.00 1.31 0.00 0.00 55.95 58.55 1u1s s SER 51 Cb -0.10 -2.24 -0.00 0.00 0.21 0.00 0.00 66.02 63.89 1u1s s SER 51 CO -0.00 -1.49 0.07 0.00 0.41 0.00 0.00 173.24 172.23 1u1s s GLN 52 N -5.16 0.27 -0.28 12.44 -2.07 0.00 -4.96 119.66 119.90 1u1s s GLN 52 Ca 0.58 -0.22 -0.16 0.00 -1.82 0.00 0.00 55.36 53.74 1u1s s GLN 52 Cb -0.13 0.11 -0.03 0.00 -1.09 0.00 0.00 33.01 31.87 1u1s s GLN 52 CO 0.54 -0.05 0.45 1.41 -1.32 0.00 0.00 175.29 176.31 1u1s s MET 53 N -0.77 3.94 -0.18 9.60 -2.45 -1.26 -1.07 119.30 127.12 1u1s s MET 53 Ca -0.09 0.08 -0.05 0.00 -1.25 0.00 0.00 55.69 54.39 1u1s s MET 53 Cb -0.05 -3.69 -0.03 0.00 1.25 0.00 0.00 34.83 32.31 1u1s s MET 53 CO 0.00 -0.38 -0.00 0.08 1.05 0.00 0.00 175.02 175.77 1u1s s VAL 54 N 2.21 4.09 -0.04 10.11 1.01 0.42 -4.96 120.40 133.24 1u1s s VAL 54 Ca 0.18 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 1u1s s VAL 54 Cb -0.16 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 1u1s s VAL 54 CO 0.10 0.46 1.04 -0.31 0.00 0.00 0.00 175.10 176.39 1u1s s TYR 55 N 0.64 3.52 0.38 5.22 2.02 -1.26 -0.79 117.35 127.07 1u1s s TYR 55 Ca -0.01 1.55 0.10 0.00 -0.37 0.00 0.00 57.07 58.35 1u1s s TYR 55 Cb -0.14 -3.22 0.88 0.00 -0.40 0.00 0.00 41.96 39.08 1u1s s TYR 55 CO 0.02 -0.40 1.90 0.87 -1.57 0.00 0.00 175.55 176.37 1u1s h LYS 56 N 7.00 0.60 0.00 -0.62 1.57 -1.38 -0.12 116.57 123.62 1u1s h LYS 56 Ca -0.36 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1u1s h LYS 56 Cb 1.18 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1u1s h LYS 56 CO 0.81 0.40 0.00 1.12 -0.57 0.00 0.00 179.45 181.21 1u1s h HIS 57 N 0.62 0.00 -0.01 -1.35 2.07 -1.92 0.69 115.15 115.25 1u1s h HIS 57 Ca 0.40 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.92 1u1s h HIS 57 Cb 0.69 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.67 1u1s h HIS 57 CO -0.00 0.00 -0.47 0.00 -3.07 0.00 0.00 177.93 174.39 1u1s n ALA 58 N -1.80 3.54 -2.38 6.11 0.00 -0.06 -4.95 120.51 120.97 1u1s n ALA 58 Ca -0.01 -0.60 -0.39 0.00 0.00 0.00 0.00 53.44 52.44 1u1s n ALA 58 Cb 0.05 -0.86 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.51 4.84 -0.13 0.00 -1.09 0.23 -0.74 121.20 121.80 1u1s s ILE 59 Ca 0.19 1.16 -0.13 0.00 -2.23 0.00 0.00 60.65 59.64 1u1s s ILE 59 Cb 0.18 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 1u1s s ILE 59 CO 0.58 0.51 -0.25 -1.20 -1.23 0.00 0.00 174.94 173.36 1u1s n SER 60 N 2.07 1.46 -4.07 3.58 7.64 0.11 -4.71 113.62 119.70 1u1s n SER 60 Ca -0.10 0.30 -0.10 0.00 1.01 0.00 0.00 58.87 59.98 1u1s n SER 60 Cb 0.51 -0.70 -0.11 0.00 -1.01 0.00 0.00 64.21 62.90 1u1s n SER 60 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1u1s s THR 61 N -2.37 0.40 -0.20 0.44 -4.23 -1.05 -5.00 115.64 103.63 1u1s s THR 61 Ca -0.20 -1.35 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 1u1s s THR 61 Cb 0.03 -0.92 0.03 0.00 1.34 0.00 0.00 72.50 72.98 1u1s s THR 61 CO 0.30 -0.63 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.89 1u1s s VAL 62 N -2.35 2.03 -0.28 2.29 1.01 -1.26 -0.58 120.40 121.25 1u1s s VAL 62 Ca -0.04 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 60.87 1u1s s VAL 62 Cb -0.03 -1.92 0.06 0.00 0.00 0.00 0.00 36.38 34.48 1u1s s VAL 62 CO -0.03 0.38 -0.06 -0.69 0.00 0.00 0.00 175.10 174.71 1u1s s VAL 63 N 1.27 2.48 0.55 2.92 1.01 0.11 -4.97 120.40 123.76 1u1s s VAL 63 Ca 0.01 -1.60 -0.19 0.00 0.00 0.00 0.00 61.98 60.20 1u1s s VAL 63 Cb -0.15 -2.47 -0.06 0.00 0.00 0.00 0.00 36.38 33.71 1u1s s VAL 63 CO -0.11 -0.10 1.14 -2.84 0.00 0.00 0.00 175.10 173.19 1u1s s PRO 64 N 1.14 3.30 0.43 2.72 0.02 -1.26 -0.85 135.00 140.50 1u1s s PRO 64 Ca -0.06 1.64 0.24 0.00 0.02 0.00 0.00 61.00 62.84 1u1s s PRO 64 Cb -0.20 -1.99 0.58 0.00 0.02 0.00 0.00 34.50 32.91 1u1s s PRO 64 CO -0.04 -0.90 1.69 0.66 -0.33 0.00 0.00 177.00 178.08 1u1s h SER 65 N 1.15 0.00 -5.01 2.53 4.64 -1.38 -3.46 113.55 112.04 1u1s h SER 65 Ca -0.50 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.66 1u1s h SER 65 Cb 1.27 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.15 1u1s h SER 65 CO 0.57 0.12 -0.66 0.00 -0.87 0.00 0.00 176.83 175.99 1u1s s ARG 66 N -3.32 0.37 0.38 4.77 1.70 -1.26 -5.09 118.95 116.51 1u1s s ARG 66 Ca 0.04 -0.63 -0.26 0.00 -0.47 0.00 0.00 55.73 54.41 1u1s s ARG 66 Cb 0.07 0.14 -0.11 0.00 -0.57 0.00 0.00 34.95 34.47 1u1s s ARG 66 CO 0.65 -0.07 1.13 -2.30 -1.08 0.00 0.00 175.30 173.64 1u1s n PRO 67 N 1.42 1.66 -4.28 3.89 -0.02 -1.26 -5.01 135.00 131.41 1u1s n PRO 67 Ca -0.23 0.59 -0.19 0.00 -2.02 0.00 0.00 63.50 61.66 1u1s n PRO 67 Cb 0.56 -2.15 -0.11 0.00 -0.02 0.00 0.00 33.50 31.78 1u1s n PRO 67 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1u1s s VAL 68 N -1.18 1.48 0.00 -1.45 -7.23 -1.26 -5.17 120.40 105.59 1u1s s VAL 68 Ca 0.60 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 1u1s s VAL 68 Cb -0.58 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 34.67 1u1s s VAL 68 CO 0.59 -0.45 0.00 -1.14 -0.31 0.00 0.00 175.10 173.79