#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrh n SER 2 N 0.00 -7.78 -3.00 1.69 7.64 -1.26 -4.89 113.62 106.02 2jrh n SER 2 Ca 0.00 0.61 0.03 0.00 1.01 0.00 0.00 58.87 60.52 2jrh n SER 2 Cb 0.00 -5.08 0.00 0.00 -1.01 0.00 0.00 64.21 58.12 2jrh n SER 2 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jrh s ASP 3 N -2.37 -0.64 -0.24 6.43 2.15 -1.23 -3.66 116.67 117.11 2jrh s ASP 3 Ca 0.22 -0.14 -0.14 0.00 0.43 0.00 0.00 52.55 52.92 2jrh s ASP 3 Cb -0.06 1.07 -0.04 0.00 -0.30 0.00 0.00 42.92 43.59 2jrh s ASP 3 CO 0.77 -0.09 0.34 -0.69 -0.17 0.00 0.00 175.17 175.33 2jrh s VAL 4 N 2.38 5.22 -0.36 1.11 1.01 0.19 -4.75 120.40 125.21 2jrh s VAL 4 Ca 0.19 0.54 -0.23 0.00 0.00 0.00 0.00 61.98 62.48 2jrh s VAL 4 Cb -0.01 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.71 2jrh s VAL 4 CO -0.18 0.24 0.78 -0.13 0.00 0.00 0.00 175.10 175.81 2jrh s ARG 5 N 1.55 3.78 -0.27 2.72 0.52 -1.26 -0.99 118.95 125.00 2jrh s ARG 5 Ca 0.15 0.35 -0.08 0.00 -0.52 0.00 0.00 55.73 55.63 2jrh s ARG 5 Cb -0.15 -3.80 -0.02 0.00 0.52 0.00 0.00 34.95 31.50 2jrh s ARG 5 CO 0.08 -0.82 0.09 0.42 0.02 0.00 0.00 175.30 175.09 2jrh s ILE 6 N 3.08 4.35 -0.33 1.52 1.01 -0.51 -2.44 121.20 127.88 2jrh s ILE 6 Ca 0.31 -0.28 -0.10 0.00 0.00 0.00 0.00 60.65 60.59 2jrh s ILE 6 Cb -0.13 -3.10 -0.00 0.00 0.01 0.00 0.00 42.46 39.24 2jrh s ILE 6 CO 0.16 0.25 0.18 -0.75 0.00 0.00 0.00 174.94 174.78 2jrh s LYS 7 N 1.60 3.28 0.05 2.79 2.20 -0.79 -2.17 119.74 126.70 2jrh s LYS 7 Ca 0.06 -0.77 0.08 0.00 -0.36 0.00 0.00 55.97 54.98 2jrh s LYS 7 Cb -0.16 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.50 2jrh s LYS 7 CO 0.04 -0.47 -0.21 -0.59 -0.36 0.00 0.00 175.35 173.76 2jrh s PHE 8 N 1.62 2.47 -0.02 4.03 -0.71 -0.34 -2.93 117.98 122.08 2jrh s PHE 8 Ca 0.04 -0.31 0.07 0.00 -1.04 0.00 0.00 56.93 55.69 2jrh s PHE 8 Cb -0.17 -1.42 -0.02 0.00 -1.21 0.00 0.00 43.02 40.20 2jrh s PHE 8 CO 0.07 0.23 -0.24 -2.00 -1.34 0.00 0.00 175.22 171.93 2jrh s GLU 9 N -1.46 2.17 -0.12 1.99 2.12 -1.23 -0.10 118.70 122.08 2jrh s GLU 9 Ca 0.14 -0.90 -0.04 0.00 0.36 0.00 0.00 54.97 54.53 2jrh s GLU 9 Cb -0.10 -2.09 0.05 0.00 0.26 0.00 0.00 34.13 32.25 2jrh s GLU 9 CO 0.05 0.56 0.10 -1.58 -0.54 0.00 0.00 175.26 173.85 2jrh s HIS 10 N -0.62 0.05 -1.53 5.30 5.65 0.14 -3.16 115.29 121.12 2jrh s HIS 10 Ca 0.10 0.06 -0.04 0.00 0.25 0.00 0.00 55.06 55.43 2jrh s HIS 10 Cb -0.10 -0.53 0.01 0.00 -1.18 0.00 0.00 32.58 30.78 2jrh s HIS 10 CO -0.01 -0.38 0.39 0.09 -0.65 0.00 0.00 174.74 174.18 2jrh n ASN 11 N 5.30 -5.54 0.00 9.88 4.13 -1.26 -2.40 115.26 125.36 2jrh n ASN 11 Ca -0.05 -0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.02 2jrh n ASN 11 Cb 0.49 -4.54 0.00 0.00 -1.54 0.00 0.00 39.78 34.19 2jrh n ASN 11 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jrh n GLY 12 N -1.29 3.03 3.77 7.41 0.00 -1.26 -5.05 105.19 111.80 2jrh n GLY 12 Ca -0.14 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 2jrh n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jrh s GLU 13 N 0.00 3.90 0.08 1.61 2.12 -1.01 -5.00 118.70 120.40 2jrh s GLU 13 Ca 0.00 1.79 0.08 0.00 0.36 0.00 0.00 54.97 57.20 2jrh s GLU 13 Cb 0.00 -2.53 -0.03 0.00 0.26 0.00 0.00 34.13 31.83 2jrh s GLU 13 CO 0.00 -0.44 -0.22 -0.98 -0.54 0.00 0.00 175.26 173.09 2jrh s ARG 14 N -2.52 1.29 -0.02 4.30 1.70 -1.26 0.28 118.95 122.72 2jrh s ARG 14 Ca 0.61 -1.09 0.03 0.00 -0.47 0.00 0.00 55.73 54.81 2jrh s ARG 14 Cb -0.29 -1.52 -0.00 0.00 -0.57 0.00 0.00 34.95 32.57 2jrh s ARG 14 CO 0.36 0.37 -0.11 0.50 -1.08 0.00 0.00 175.30 175.34 2jrh s ARG 15 N -1.60 1.05 -0.14 3.89 3.00 0.86 -4.97 118.95 121.04 2jrh s ARG 15 Ca 0.08 -0.38 0.01 0.00 -1.00 0.00 0.00 55.73 54.44 2jrh s ARG 15 Cb -0.10 -0.98 -0.00 0.00 0.00 0.00 0.00 34.95 33.87 2jrh s ARG 15 CO 0.03 0.18 -0.18 0.42 0.00 0.00 0.00 175.30 175.76 2jrh s ILE 16 N -0.00 2.49 -0.02 4.11 1.01 -1.26 -1.20 121.20 126.32 2jrh s ILE 16 Ca -0.00 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.81 2jrh s ILE 16 Cb -0.07 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.39 2jrh s ILE 16 CO 0.00 0.53 0.01 -0.63 0.00 0.00 0.00 174.94 174.85 2jrh s ILE 17 N 0.71 0.06 0.16 2.92 1.01 -0.92 -4.96 121.20 120.17 2jrh s ILE 17 Ca -0.08 0.12 -0.14 0.00 0.00 0.00 0.00 60.65 60.56 2jrh s ILE 17 Cb -0.16 -0.16 -0.07 0.00 0.01 0.00 0.00 42.46 42.09 2jrh s ILE 17 CO 0.01 0.10 0.55 0.00 0.00 0.00 0.00 174.94 175.60 2jrh s ALA 18 N 0.87 3.58 -0.08 9.38 0.00 -1.26 -1.43 121.76 132.82 2jrh s ALA 18 Ca -0.08 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.73 2jrh s ALA 18 Cb -0.11 -2.51 0.02 0.00 0.00 0.00 0.00 23.12 20.52 2jrh s ALA 18 CO -0.02 0.46 -0.07 -0.06 0.00 0.00 0.00 175.76 176.07 2jrh s PHE 19 N -1.52 1.21 0.02 0.00 0.40 -0.16 -4.87 117.98 113.05 2jrh s PHE 19 Ca 0.39 -0.48 -0.30 0.00 -0.60 0.00 0.00 56.93 55.94 2jrh s PHE 19 Cb -0.14 -1.00 -0.06 0.00 0.51 0.00 0.00 43.02 42.33 2jrh s PHE 19 CO 0.19 -0.34 1.35 0.45 0.70 0.00 0.00 175.22 177.57 2jrh s SER 20 N 1.23 6.90 0.41 1.36 0.15 -1.26 -0.64 113.70 121.85 2jrh s SER 20 Ca -0.05 2.11 -0.25 0.00 0.70 0.00 0.00 55.95 58.46 2jrh s SER 20 Cb -0.14 -2.57 -0.08 0.00 -1.71 0.00 0.00 66.02 61.52 2jrh s SER 20 CO -0.02 -0.66 1.14 -0.13 1.20 0.00 0.00 173.24 174.77 2jrh s ARG 21 N 1.97 4.04 -0.13 5.44 0.52 -1.24 -3.30 118.95 126.25 2jrh s ARG 21 Ca 0.62 1.74 -0.29 0.00 -0.52 0.00 0.00 55.73 57.28 2jrh s ARG 21 Cb -0.31 -2.60 -0.02 0.00 0.52 0.00 0.00 34.95 32.54 2jrh s ARG 21 CO 0.27 -0.31 1.14 -1.25 0.02 0.00 0.00 175.30 175.17 2jrh s PRO 22 N -2.40 4.32 0.41 3.54 0.04 -1.26 -4.89 135.00 134.76 2jrh s PRO 22 Ca 0.58 1.54 -0.24 0.00 0.04 0.00 0.00 61.00 62.92 2jrh s PRO 22 Cb -0.28 -3.62 -0.08 0.00 0.04 0.00 0.00 34.50 30.56 2jrh s PRO 22 CO 0.35 -0.51 1.12 0.54 0.04 0.00 0.00 177.00 178.54 2jrh s VAL 23 N 2.64 3.38 -0.12 -0.36 0.11 -1.21 -5.04 120.40 119.79 2jrh s VAL 23 Ca 0.51 1.08 -0.01 0.00 -2.93 0.00 0.00 61.98 60.64 2jrh s VAL 23 Cb -0.21 -3.57 -0.02 0.00 -1.53 0.00 0.00 36.38 31.05 2jrh s VAL 23 CO 0.16 0.04 -0.08 -0.54 -3.33 0.00 0.00 175.10 171.35 2jrh s LYS 24 N -2.47 3.35 0.22 1.54 -0.14 -1.26 -5.02 119.74 115.96 2jrh s LYS 24 Ca 0.59 -0.59 -0.09 0.00 -1.36 0.00 0.00 55.97 54.52 2jrh s LYS 24 Cb -0.27 -2.73 0.24 0.00 -1.68 0.00 0.00 37.83 33.40 2jrh s LYS 24 CO 0.33 0.33 1.83 -0.92 -0.76 0.00 0.00 175.35 176.16 2jrh h TYR 25 N 6.37 0.79 -0.66 3.18 3.20 -1.96 -1.34 116.97 126.55 2jrh h TYR 25 Ca -0.33 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.59 2jrh h TYR 25 Cb 1.19 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 39.17 2jrh h TYR 25 CO 0.52 0.41 0.42 0.93 -1.64 0.00 0.00 178.16 178.81 2jrh h GLU 26 N 0.80 0.82 -0.35 1.82 5.08 -1.98 0.16 114.58 120.93 2jrh h GLU 26 Ca 0.31 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 2jrh h GLU 26 Cb 0.13 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2jrh h GLU 26 CO -0.16 0.54 0.03 -0.44 -1.00 0.00 0.00 179.01 177.99 2jrh h ASP 27 N 0.85 0.58 -0.14 1.42 5.19 -1.84 0.12 116.42 122.60 2jrh h ASP 27 Ca 0.26 -0.28 -0.02 0.00 -0.62 0.00 0.00 57.03 56.37 2jrh h ASP 27 Cb -0.03 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.32 2jrh h ASP 27 CO -0.08 0.72 0.02 0.58 -3.12 0.00 0.00 179.24 177.36 2jrh h VAL 28 N 0.43 1.23 -0.30 -1.35 2.07 -0.98 -2.34 116.25 115.00 2jrh h VAL 28 Ca 0.10 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 2jrh h VAL 28 Cb 0.41 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2jrh h VAL 28 CO 0.01 0.21 0.11 -0.33 0.02 0.00 0.00 177.57 177.59 2jrh h GLU 29 N -0.00 0.46 -0.93 1.57 5.08 -0.67 -1.01 114.58 119.07 2jrh h GLU 29 Ca 0.04 -0.09 0.08 0.00 -1.00 0.00 0.00 59.36 58.39 2jrh h GLU 29 Cb 0.31 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.42 2jrh h GLU 29 CO 0.00 0.49 0.58 1.25 -1.00 0.00 0.00 179.01 180.33 2jrh h HIS 30 N 0.33 1.06 -0.01 4.33 2.76 -0.73 0.68 115.15 123.57 2jrh h HIS 30 Ca 0.10 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2jrh h HIS 30 Cb 0.22 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 28.84 2jrh h HIS 30 CO 0.00 0.50 -0.01 -0.22 -1.30 0.00 0.00 177.93 176.90 2jrh h LYS 31 N 1.01 0.02 -0.42 5.26 3.64 -1.25 -2.76 116.57 122.07 2jrh h LYS 31 Ca 0.42 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.72 2jrh h LYS 31 Cb 0.26 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2jrh h LYS 31 CO -0.20 0.57 -0.01 0.28 -2.27 0.00 0.00 179.45 177.81 2jrh h VAL 32 N -0.53 1.26 -0.94 2.00 2.07 -0.92 -2.39 116.25 116.81 2jrh h VAL 32 Ca 0.00 -1.05 0.03 0.00 0.82 0.00 0.00 66.70 66.50 2jrh h VAL 32 Cb 0.57 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 2jrh h VAL 32 CO 0.00 0.36 0.62 0.74 0.02 0.00 0.00 177.57 179.31 2jrh h THR 33 N 0.59 1.18 -0.16 2.57 2.02 0.28 -2.06 112.91 117.34 2jrh h THR 33 Ca 0.12 -0.41 -0.18 0.00 0.77 0.00 0.00 66.41 66.71 2jrh h THR 33 Cb 0.51 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2jrh h THR 33 CO 0.02 0.22 -0.64 0.74 0.37 0.00 0.00 175.52 176.24 2jrh h THR 34 N 1.21 1.33 0.14 3.16 2.02 -1.39 0.78 112.91 120.16 2jrh h THR 34 Ca 0.37 -1.92 -0.01 0.00 0.77 0.00 0.00 66.41 65.62 2jrh h THR 34 Cb -0.03 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2jrh h THR 34 CO -0.10 0.59 -0.07 0.58 0.37 0.00 0.00 175.52 176.89 2jrh h VAL 35 N 0.42 0.92 0.00 3.16 2.07 -0.91 -3.28 116.25 118.63 2jrh h VAL 35 Ca -0.01 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2jrh h VAL 35 Cb 1.21 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2jrh h VAL 35 CO 0.12 0.06 -1.41 0.49 0.02 0.00 0.00 177.57 176.85 2jrh n PHE 36 N -5.12 0.35 0.00 1.57 3.72 -0.82 -5.10 117.46 112.06 2jrh n PHE 36 Ca -0.09 0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2jrh n PHE 36 Cb 0.15 -0.59 0.00 0.00 -0.94 0.00 0.00 39.48 38.09 2jrh n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jrh n GLY 37 N 1.28 -2.42 3.16 1.37 0.00 0.27 -5.07 105.19 103.77 2jrh n GLY 37 Ca -0.01 -2.17 -0.13 0.00 0.00 0.00 0.00 46.02 43.71 2jrh n GLY 37 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jrh s GLN 38 N -0.75 0.79 0.15 1.61 0.00 -1.25 -4.31 119.66 115.91 2jrh s GLN 38 Ca 0.00 -1.13 -0.14 0.00 -0.00 0.00 0.00 55.36 54.09 2jrh s GLN 38 Cb 0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 33.01 32.51 2jrh s GLN 38 CO 0.00 0.06 0.56 -1.25 0.00 0.00 0.00 175.29 174.66 2jrh s PRO 39 N -2.81 3.99 -0.00 9.60 0.04 -1.26 -5.11 135.00 139.44 2jrh s PRO 39 Ca 0.04 0.51 0.01 0.00 0.04 0.00 0.00 61.00 61.60 2jrh s PRO 39 Cb -0.02 -2.92 -0.00 0.00 0.04 0.00 0.00 34.50 31.60 2jrh s PRO 39 CO -0.01 0.47 -0.02 -0.51 0.04 0.00 0.00 177.00 176.97 2jrh s LEU 40 N -1.99 1.99 -0.05 -3.56 1.43 -1.26 -4.35 118.68 110.89 2jrh s LEU 40 Ca 0.38 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 2jrh s LEU 40 Cb -0.15 -0.10 -0.03 0.00 0.03 0.00 0.00 46.19 45.94 2jrh s LEU 40 CO 0.19 0.02 -0.11 -1.81 0.23 0.00 0.00 176.35 174.88 2jrh s ASP 41 N -0.03 4.32 -0.37 2.29 1.11 -1.26 -5.03 116.67 117.70 2jrh s ASP 41 Ca 0.01 -0.12 -0.23 0.00 0.18 0.00 0.00 52.55 52.38 2jrh s ASP 41 Cb -0.01 -0.99 0.01 0.00 1.07 0.00 0.00 42.92 43.00 2jrh s ASP 41 CO -0.00 0.35 0.79 -0.76 1.18 0.00 0.00 175.17 176.72 2jrh s LEU 42 N -0.81 4.14 -0.28 1.23 1.43 -1.26 -3.73 118.68 119.40 2jrh s LEU 42 Ca 0.12 0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 53.46 2jrh s LEU 42 Cb -0.11 -3.02 -0.01 0.00 0.03 0.00 0.00 46.19 43.07 2jrh s LEU 42 CO 0.01 -0.75 0.10 -2.28 0.23 0.00 0.00 176.35 173.66 2jrh s HIS 43 N 3.13 3.13 -0.22 0.29 2.46 0.55 -3.87 115.29 120.76 2jrh s HIS 43 Ca 0.31 -0.59 -0.06 0.00 0.47 0.00 0.00 55.06 55.19 2jrh s HIS 43 Cb -0.13 -2.28 -0.03 0.00 -0.13 0.00 0.00 32.58 30.01 2jrh s HIS 43 CO 0.17 -0.44 0.04 -0.47 -2.47 0.00 0.00 174.74 171.57 2jrh s TYR 44 N 1.59 3.07 -0.16 3.88 6.14 -0.59 0.38 117.35 131.66 2jrh s TYR 44 Ca 0.05 -0.42 -0.03 0.00 0.64 0.00 0.00 57.07 57.31 2jrh s TYR 44 Cb -0.16 -2.15 -0.02 0.00 0.42 0.00 0.00 41.96 40.04 2jrh s TYR 44 CO 0.04 -0.27 -0.06 -1.64 0.64 0.00 0.00 175.55 174.26 2jrh s MET 45 N 1.24 3.56 -0.03 4.97 -1.94 -1.25 0.18 119.30 126.03 2jrh s MET 45 Ca 0.04 -0.57 -0.20 0.00 -1.71 0.00 0.00 55.69 53.25 2jrh s MET 45 Cb -0.15 -2.87 -0.13 0.00 2.01 0.00 0.00 34.83 33.69 2jrh s MET 45 CO 0.02 0.16 0.86 -0.97 -0.01 0.00 0.00 175.02 175.08 2jrh h ASN 46 N 6.96 -0.32 0.00 3.03 -1.24 -1.84 -3.47 115.58 118.69 2jrh h ASN 46 Ca -0.31 -0.19 0.00 0.00 0.71 0.00 0.00 56.30 56.50 2jrh h ASN 46 Cb 1.19 0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.33 2jrh h ASN 46 CO 0.60 0.15 0.00 -3.20 -1.29 0.00 0.00 177.43 173.70 2jrh n ASN 47 N -5.05 -0.08 -0.07 1.15 2.85 -1.26 -4.97 115.26 107.83 2jrh n ASN 47 Ca -0.08 0.16 -0.07 0.00 -0.11 0.00 0.00 54.58 54.48 2jrh n ASN 47 Cb 0.25 0.23 -0.12 0.00 1.24 0.00 0.00 39.78 41.38 2jrh n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2jrh n GLU 48 N -2.33 1.45 -4.47 1.20 1.02 -1.26 -5.02 120.64 111.23 2jrh n GLU 48 Ca 0.00 -0.01 -0.24 0.00 -0.02 0.00 0.00 57.16 56.89 2jrh n GLU 48 Cb 0.00 -1.40 -0.10 0.00 -0.02 0.00 0.00 31.44 29.92 2jrh n GLU 48 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2jrh s LEU 49 N -5.11 2.63 -0.16 -4.62 2.96 -1.26 -5.14 118.68 107.98 2jrh s LEU 49 Ca -0.08 -1.02 -0.06 0.00 -0.22 0.00 0.00 54.13 52.75 2jrh s LEU 49 Cb 0.05 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 2jrh s LEU 49 CO 0.64 0.02 0.04 -0.44 -1.32 0.00 0.00 176.35 175.29 2jrh s SER 50 N -3.52 5.52 -0.09 3.68 0.01 -1.26 -2.37 113.70 115.66 2jrh s SER 50 Ca 0.30 0.09 0.03 0.00 1.31 0.00 0.00 55.95 57.68 2jrh s SER 50 Cb -0.05 -1.87 -0.01 0.00 0.21 0.00 0.00 66.02 64.30 2jrh s SER 50 CO 0.15 0.23 -0.17 -0.63 0.41 0.00 0.00 173.24 173.23 2jrh s ILE 51 N 0.06 2.73 -0.22 1.44 -1.09 0.13 -4.99 121.20 119.26 2jrh s ILE 51 Ca 0.05 -0.80 -0.08 0.00 -2.23 0.00 0.00 60.65 57.59 2jrh s ILE 51 Cb -0.12 -2.09 -0.04 0.00 -1.58 0.00 0.00 42.46 38.63 2jrh s ILE 51 CO 0.01 0.55 0.08 -0.76 -1.23 0.00 0.00 174.94 173.59 2jrh s LEU 52 N -0.01 3.68 -0.29 2.97 1.43 -1.26 -1.55 118.68 123.64 2jrh s LEU 52 Ca -0.05 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 2jrh s LEU 52 Cb -0.14 -1.96 0.08 0.00 0.03 0.00 0.00 46.19 44.19 2jrh s LEU 52 CO 0.04 0.07 -0.04 -1.48 0.23 0.00 0.00 176.35 175.18 2jrh s LEU 53 N 0.99 3.99 -0.14 1.79 0.05 -1.25 -4.93 118.68 119.18 2jrh s LEU 53 Ca 0.04 -1.69 0.07 0.00 0.05 0.00 0.00 54.13 52.60 2jrh s LEU 53 Cb -0.14 -1.59 -0.13 0.00 -2.05 0.00 0.00 46.19 42.28 2jrh s LEU 53 CO 0.03 -0.27 -0.04 1.17 -0.55 0.00 0.00 176.35 176.69 2jrh n LYS 54 N 4.38 1.28 -3.25 1.48 4.81 -1.26 -4.67 118.16 120.92 2jrh n LYS 54 Ca -0.07 0.04 -0.20 0.00 -0.87 0.00 0.00 58.31 57.21 2jrh n LYS 54 Cb 0.42 -1.32 0.00 0.00 0.02 0.00 0.00 35.03 34.16 2jrh n LYS 54 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2jrh s ASN 55 N -4.97 5.85 0.32 3.14 0.01 -1.26 -5.01 114.94 113.01 2jrh s ASN 55 Ca -0.13 -0.12 0.02 0.00 -0.71 0.00 0.00 52.86 51.92 2jrh s ASN 55 Cb 0.04 -1.18 0.55 0.00 0.41 0.00 0.00 41.25 41.07 2jrh s ASN 55 CO 0.45 -0.58 1.89 1.56 -1.51 0.00 0.00 177.10 178.90 2jrh h GLN 56 N 0.70 0.68 -0.55 -0.60 4.20 -1.99 -2.84 115.11 114.71 2jrh h GLN 56 Ca -0.45 -0.12 0.10 0.00 0.06 0.00 0.00 58.65 58.24 2jrh h GLN 56 Cb 1.26 -0.11 -0.08 0.00 0.30 0.00 0.00 27.48 28.85 2jrh h GLN 56 CO 0.52 0.61 0.12 0.22 -0.67 0.00 0.00 178.83 179.64 2jrh h ASP 57 N 0.67 0.02 0.17 1.46 1.82 -1.99 0.21 116.42 118.77 2jrh h ASP 57 Ca 0.15 0.10 -0.07 0.00 -0.39 0.00 0.00 57.03 56.82 2jrh h ASP 57 Cb 0.23 0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 2jrh h ASP 57 CO -0.01 0.03 -0.27 -0.78 -1.61 0.00 0.00 179.24 176.60 2jrh h ASP 58 N 0.26 0.18 -0.12 2.28 1.82 -1.90 -2.59 116.42 116.34 2jrh h ASP 58 Ca 0.28 -0.05 -0.20 0.00 -0.39 0.00 0.00 57.03 56.66 2jrh h ASP 58 Cb 0.39 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.36 2jrh h ASP 58 CO -0.36 0.45 -0.69 0.25 -1.61 0.00 0.00 179.24 177.28 2jrh h LEU 59 N 0.16 0.88 -0.58 2.28 5.85 -0.97 -2.67 115.31 120.25 2jrh h LEU 59 Ca 0.03 -0.54 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 2jrh h LEU 59 Cb 0.57 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2jrh h LEU 59 CO 0.04 1.32 0.30 0.44 -0.34 0.00 0.00 178.44 180.21 2jrh h ASP 60 N 0.54 0.74 -0.48 1.25 5.19 -0.40 -1.43 116.42 121.82 2jrh h ASP 60 Ca -0.03 -0.11 -0.10 0.00 -0.62 0.00 0.00 57.03 56.17 2jrh h ASP 60 Cb 1.31 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.61 2jrh h ASP 60 CO 0.14 0.63 -0.08 0.07 -3.12 0.00 0.00 179.24 176.88 2jrh h LYS 61 N 0.78 0.95 -0.40 3.56 2.10 -1.50 -1.71 116.57 120.35 2jrh h LYS 61 Ca 0.20 -0.32 -0.02 0.00 -2.00 0.00 0.00 60.65 58.51 2jrh h LYS 61 Cb 0.07 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 2jrh h LYS 61 CO -0.03 0.98 0.16 0.00 -2.00 0.00 0.00 179.45 178.56 2jrh h ALA 62 N 1.05 0.52 -0.54 0.07 0.00 -1.16 -2.54 119.26 116.66 2jrh h ALA 62 Ca 0.14 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2jrh h ALA 62 Cb 0.61 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2jrh h ALA 62 CO 0.04 0.13 -0.02 0.82 0.00 0.00 0.00 179.25 180.22 2jrh h ILE 63 N 0.50 1.27 -0.63 0.00 2.04 -1.19 -2.55 117.51 116.94 2jrh h ILE 63 Ca 0.13 -1.13 0.08 0.00 1.00 0.00 0.00 64.86 64.94 2jrh h ILE 63 Cb 0.20 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 2jrh h ILE 63 CO -0.01 0.40 0.29 -0.78 0.00 0.00 0.00 178.15 178.05 2jrh h ASP 64 N 0.83 0.37 -0.49 1.72 1.82 -1.16 0.12 116.42 119.63 2jrh h ASP 64 Ca 0.15 0.06 -0.05 0.00 -0.39 0.00 0.00 57.03 56.80 2jrh h ASP 64 Cb 0.55 -0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.54 2jrh h ASP 64 CO 0.03 0.22 0.10 0.40 -1.61 0.00 0.00 179.24 178.39 2jrh h ILE 65 N 0.52 1.24 -0.24 2.25 2.04 -1.34 -0.85 117.51 121.13 2jrh h ILE 65 Ca 0.30 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 2jrh h ILE 65 Cb 0.31 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2jrh h ILE 65 CO -0.25 0.31 0.12 0.25 0.00 0.00 0.00 178.15 178.58 2jrh h LEU 66 N 0.67 0.30 -0.90 1.44 5.85 -0.94 0.19 115.31 121.93 2jrh h LEU 66 Ca 0.15 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 2jrh h LEU 66 Cb 0.35 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2jrh h LEU 66 CO 0.00 0.32 0.04 0.44 -0.34 0.00 0.00 178.44 178.91 2jrh h ASP 67 N 0.26 0.81 0.19 1.25 5.19 -0.72 -2.85 116.42 120.56 2jrh h ASP 67 Ca 0.08 -0.19 -0.17 0.00 -0.62 0.00 0.00 57.03 56.13 2jrh h ASP 67 Cb 0.09 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 2jrh h ASP 67 CO -0.01 0.86 -0.66 -0.09 -3.12 0.00 0.00 179.24 176.21 2jrh h ARG 68 N 0.80 0.44 -6.40 3.56 9.65 -0.94 -3.43 114.38 118.06 2jrh h ARG 68 Ca 0.16 -0.33 -0.54 0.00 -1.10 0.00 0.00 59.98 58.17 2jrh h ARG 68 Cb 0.43 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 2jrh h ARG 68 CO 0.02 0.95 0.56 0.45 2.80 0.00 0.00 179.97 184.74 2jrh s SER 69 N -6.95 7.15 0.11 -3.80 0.15 0.66 -4.95 113.70 106.07 2jrh s SER 69 Ca -0.06 1.83 -0.10 0.00 0.70 0.00 0.00 55.95 58.32 2jrh s SER 69 Cb 0.11 -2.57 -0.15 0.00 -1.71 0.00 0.00 66.02 61.70 2jrh s SER 69 CO 0.84 -0.45 1.27 0.77 1.20 0.00 0.00 173.24 176.87 2jrh h SER 70 N 7.01 0.79 -0.02 5.45 4.64 -1.85 -3.33 113.55 126.24 2jrh h SER 70 Ca -0.38 -0.59 -0.07 0.00 -0.47 0.00 0.00 61.79 60.27 2jrh h SER 70 Cb 1.19 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2jrh h SER 70 CO 0.82 1.39 -0.26 0.77 -0.87 0.00 0.00 176.83 178.67 2jrh h SER 71 N 0.38 0.27 -1.28 4.97 4.64 -1.92 -3.40 113.55 117.20 2jrh h SER 71 Ca -0.09 -0.72 -0.56 0.00 -0.47 0.00 0.00 61.79 59.95 2jrh h SER 71 Cb 1.56 -0.08 -0.09 0.00 -0.31 0.00 0.00 62.40 63.48 2jrh h SER 71 CO 0.18 0.95 1.35 -0.04 -0.87 0.00 0.00 176.83 178.40 2jrh s MET 72 N -3.34 3.41 -0.24 4.77 1.00 -1.25 -4.75 119.30 118.90 2jrh s MET 72 Ca -0.15 -0.87 -0.10 0.00 0.00 0.00 0.00 55.69 54.57 2jrh s MET 72 Cb 0.02 -5.13 -0.17 0.00 0.00 0.00 0.00 34.83 29.55 2jrh s MET 72 CO 0.75 -2.33 -0.13 1.63 0.00 0.00 0.00 175.02 174.94 2jrh n LYS 73 N 8.97 0.63 -3.38 2.03 5.02 -1.26 -4.51 118.16 125.65 2jrh n LYS 73 Ca 0.29 0.28 -0.31 0.00 -2.02 0.00 0.00 58.31 56.55 2jrh n LYS 73 Cb 0.50 -1.57 -0.05 0.00 -0.02 0.00 0.00 35.03 33.89 2jrh n LYS 73 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2jrh s SER 74 N -7.05 6.58 -0.20 4.39 1.04 -1.26 -4.73 113.70 112.47 2jrh s SER 74 Ca -0.34 0.88 -0.18 0.00 0.48 0.00 0.00 55.95 56.79 2jrh s SER 74 Cb 0.11 -2.21 -0.03 0.00 0.10 0.00 0.00 66.02 63.98 2jrh s SER 74 CO 0.58 -0.11 0.51 -0.76 0.98 0.00 0.00 173.24 174.43 2jrh s LEU 75 N -3.02 4.14 -0.92 2.42 1.43 -1.02 -4.96 118.68 116.75 2jrh s LEU 75 Ca 0.47 0.65 -0.16 0.00 -1.03 0.00 0.00 54.13 54.06 2jrh s LEU 75 Cb -0.11 -2.69 0.17 0.00 0.03 0.00 0.00 46.19 43.59 2jrh s LEU 75 CO 0.24 -0.17 1.02 -0.60 0.23 0.00 0.00 176.35 177.06 2jrh s ARG 76 N 1.62 3.66 -0.24 1.70 3.52 -1.26 -1.88 118.95 126.07 2jrh s ARG 76 Ca 0.23 -2.13 -0.04 0.00 -0.13 0.00 0.00 55.73 53.66 2jrh s ARG 76 Cb -0.15 -4.74 0.00 0.00 -1.56 0.00 0.00 34.95 28.50 2jrh s ARG 76 CO 0.09 -1.58 -0.02 0.42 -0.81 0.00 0.00 175.30 173.41 2jrh s ILE 77 N 1.54 3.38 -0.24 4.11 1.01 -1.15 -3.84 121.20 126.01 2jrh s ILE 77 Ca 0.28 -0.67 -0.09 0.00 0.00 0.00 0.00 60.65 60.17 2jrh s ILE 77 Cb -0.07 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 2jrh s ILE 77 CO -0.09 0.29 0.13 -0.22 0.00 0.00 0.00 174.94 175.05 2jrh s LEU 78 N 1.45 3.89 -0.13 2.97 2.96 0.16 -3.48 118.68 126.49 2jrh s LEU 78 Ca 0.04 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 2jrh s LEU 78 Cb -0.15 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 2jrh s LEU 78 CO -0.02 0.04 -0.09 -1.48 -1.32 0.00 0.00 176.35 173.47 2jrh s LEU 79 N 1.21 2.93 0.01 -0.68 0.05 -1.19 -0.33 118.68 120.69 2jrh s LEU 79 Ca 0.06 -0.23 0.04 0.00 0.05 0.00 0.00 54.13 54.05 2jrh s LEU 79 Cb -0.14 -1.67 -0.01 0.00 -2.05 0.00 0.00 46.19 42.31 2jrh s LEU 79 CO 0.05 0.19 -0.12 -0.76 -0.55 0.00 0.00 176.35 175.16 2jrh s LEU 80 N 0.24 2.09 0.19 1.48 1.02 -1.24 -4.49 118.68 117.96 2jrh s LEU 80 Ca -0.06 -0.31 -0.19 0.00 0.02 0.00 0.00 54.13 53.58 2jrh s LEU 80 Cb -0.15 -0.54 -0.08 0.00 0.02 0.00 0.00 46.19 45.44 2jrh s LEU 80 CO 0.04 0.07 0.69 -0.44 0.02 0.00 0.00 176.35 176.74 2jrh s SER 81 N -0.65 7.05 0.00 2.29 0.01 -1.26 -4.01 113.70 117.13 2jrh s SER 81 Ca 0.02 1.38 0.20 0.00 1.31 0.00 0.00 55.95 58.85 2jrh s SER 81 Cb -0.06 -2.40 0.70 0.00 0.21 0.00 0.00 66.02 64.47 2jrh s SER 81 CO 0.00 0.08 1.51 0.00 0.41 0.00 0.00 173.24 175.24 2jrh n GLN 82 N 0.90 1.73 -1.38 12.44 10.64 -1.26 -5.05 117.38 135.40 2jrh n GLN 82 Ca -0.04 -1.11 0.18 0.00 -1.83 0.00 0.00 57.00 54.20 2jrh n GLN 82 Cb 0.51 -1.38 -0.06 0.00 -0.86 0.00 0.00 30.24 28.45 2jrh n GLN 82 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2jrh n ASP 83 N 0.34 -8.25 -3.97 2.61 8.00 -1.26 -4.74 116.55 109.27 2jrh n ASP 83 Ca 0.16 0.82 -0.31 0.00 0.71 0.00 0.00 54.79 56.17 2jrh n ASP 83 Cb 0.32 -4.35 -0.14 0.00 -0.02 0.00 0.00 41.12 36.94 2jrh n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jrh s ARG 84 N -2.82 1.99 0.37 -1.24 1.70 -1.26 -5.05 118.95 112.65 2jrh s ARG 84 Ca 0.00 -2.53 -0.01 0.00 -0.47 0.00 0.00 55.73 52.71 2jrh s ARG 84 Cb 0.00 -3.36 0.08 0.00 -0.57 0.00 0.00 34.95 31.10 2jrh s ARG 84 CO 0.00 -1.10 0.51 0.09 -1.08 0.00 0.00 175.30 173.72 2jrh n ASN 85 N 3.27 0.57 -3.50 -2.89 3.02 -1.26 -4.98 115.26 109.50 2jrh n ASN 85 Ca 0.05 -1.51 -0.40 0.00 -0.03 0.00 0.00 54.58 52.69 2jrh n ASN 85 Cb 0.34 -0.34 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 2jrh n ASN 85 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2jrh n LEU 86 N 0.00 8.00 -0.90 3.41 -0.00 -1.26 -4.09 117.00 122.17 2jrh n LEU 86 Ca 0.08 -4.62 -0.01 0.00 -0.00 0.00 0.00 56.01 51.46 2jrh n LEU 86 Cb 0.29 -1.47 -0.02 0.00 -0.00 0.00 0.00 43.42 42.22 2jrh n LEU 86 CO 0.20 1.89 0.24 -0.62 -0.00 0.00 0.00 177.39 179.09 2jrh n GLU 87 N 3.03 0.00 -0.01 1.96 1.02 -1.26 -4.90 120.64 120.48 2jrh n GLU 87 Ca 0.64 -0.98 0.01 0.00 -0.02 0.00 0.00 57.16 56.81 2jrh n GLU 87 Cb 0.27 0.08 -0.04 0.00 -0.02 0.00 0.00 31.44 31.73 2jrh n GLU 87 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2jrh n HIS 88 N 0.12 0.00 -2.56 -0.32 8.25 -1.26 -5.08 115.22 114.37 2jrh n HIS 88 Ca -0.08 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.35 2jrh n HIS 88 Cb 0.75 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.71 2jrh n HIS 88 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jrh n HIS 89 N -1.86 -2.33 0.00 4.41 8.25 -1.26 -5.03 115.22 117.40 2jrh n HIS 89 Ca -0.03 0.91 0.00 0.00 -0.26 0.00 0.00 57.72 58.34 2jrh n HIS 89 Cb 0.33 -3.39 0.00 0.00 1.12 0.00 0.00 29.99 28.05 2jrh n HIS 89 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jrh n HIS 90 N -1.00 0.00 -3.90 4.41 -0.00 -1.26 -5.18 115.22 108.28 2jrh n HIS 90 Ca 0.04 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.79 2jrh n HIS 90 Cb 0.42 0.33 0.01 0.00 -0.00 0.00 0.00 29.99 30.75 2jrh n HIS 90 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jrh s HIS 91 N -0.74 0.01 0.22 1.57 2.46 -1.26 -5.10 115.29 112.45 2jrh s HIS 91 Ca 0.00 -0.10 0.00 0.00 0.47 0.00 0.00 55.06 55.43 2jrh s HIS 91 Cb 0.00 0.55 0.00 0.00 -0.13 0.00 0.00 32.58 33.00 2jrh s HIS 91 CO 0.00 -0.21 0.00 1.58 -2.47 0.00 0.00 174.74 173.64 2jrh n HIS 92 N -0.82 -2.55 0.29 3.88 -0.00 -1.26 -5.11 115.22 109.66 2jrh n HIS 92 Ca 0.01 0.58 0.04 0.00 -0.00 0.00 0.00 57.72 58.35 2jrh n HIS 92 Cb 0.60 1.47 0.03 0.00 -0.00 0.00 0.00 29.99 32.09 2jrh n HIS 92 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95