#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 -5.69 -2.80 1.08 7.64 -1.26 -4.93 113.62 107.65 2jrh n SER 2 Ca 0.00 -0.64 -0.07 0.00 1.01 0.00 0.00 58.87 59.17 2jrh n SER 2 Cb 0.00 -4.54 0.01 0.00 -1.01 0.00 0.00 64.21 58.67 2jrh n SER 2 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jrh n ASP 3 N -2.94 -3.05 -4.71 6.43 8.00 -1.25 -3.65 116.55 115.39 2jrh n ASP 3 Ca 0.02 -2.99 -0.42 0.00 0.71 0.00 0.00 54.79 52.11 2jrh n ASP 3 Cb 0.55 1.59 -0.03 0.00 -0.02 0.00 0.00 41.12 43.21 2jrh n ASP 3 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2jrh s VAL 4 N 0.72 4.53 -0.34 2.53 1.01 0.30 -4.81 120.40 124.35 2jrh s VAL 4 Ca 0.31 1.82 -0.18 0.00 0.00 0.00 0.00 61.98 63.92 2jrh s VAL 4 Cb 0.07 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 2jrh s VAL 4 CO -0.12 0.11 0.53 -0.13 0.00 0.00 0.00 175.10 175.49 2jrh s ARG 5 N 1.29 3.69 -0.17 2.72 0.52 -1.26 -1.93 118.95 123.81 2jrh s ARG 5 Ca 0.54 -0.07 -0.04 0.00 -0.52 0.00 0.00 55.73 55.64 2jrh s ARG 5 Cb -0.24 -3.79 -0.03 0.00 0.52 0.00 0.00 34.95 31.42 2jrh s ARG 5 CO 0.26 -0.61 -0.02 0.42 0.02 0.00 0.00 175.30 175.37 2jrh s ILE 6 N 2.42 4.01 -0.19 1.52 1.01 -1.08 -4.01 121.20 124.88 2jrh s ILE 6 Ca 0.20 -0.31 -0.06 0.00 0.00 0.00 0.00 60.65 60.48 2jrh s ILE 6 Cb -0.15 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 2jrh s ILE 6 CO 0.13 0.47 0.03 -0.54 0.00 0.00 0.00 174.94 175.03 2jrh s LYS 7 N 0.51 3.78 0.00 2.79 1.02 -1.06 -2.35 119.74 124.43 2jrh s LYS 7 Ca -0.02 -0.44 0.05 0.00 0.02 0.00 0.00 55.97 55.58 2jrh s LYS 7 Cb -0.14 -3.15 -0.03 0.00 -0.52 0.00 0.00 37.83 33.99 2jrh s LYS 7 CO 0.02 0.13 -0.14 -0.06 -0.92 0.00 0.00 175.35 174.38 2jrh s PHE 8 N 0.73 2.67 -0.08 3.18 0.08 -0.80 -2.01 117.98 121.75 2jrh s PHE 8 Ca 0.02 -0.18 0.02 0.00 0.12 0.00 0.00 56.93 56.90 2jrh s PHE 8 Cb -0.14 -1.55 0.01 0.00 -0.57 0.00 0.00 43.02 40.78 2jrh s PHE 8 CO 0.02 0.25 -0.12 -2.00 -0.10 0.00 0.00 175.22 173.27 2jrh s GLU 9 N -1.21 1.80 -0.09 0.44 2.12 -0.50 -0.86 118.70 120.40 2jrh s GLU 9 Ca 0.14 -0.43 -0.03 0.00 0.36 0.00 0.00 54.97 55.01 2jrh s GLU 9 Cb -0.11 -1.53 0.05 0.00 0.26 0.00 0.00 34.13 32.80 2jrh s GLU 9 CO 0.04 -0.02 0.15 -1.58 -0.54 0.00 0.00 175.26 173.32 2jrh s HIS 10 N 0.84 -0.15 -1.47 5.30 2.46 0.83 -2.30 115.29 120.80 2jrh s HIS 10 Ca -0.11 0.52 -0.07 0.00 0.47 0.00 0.00 55.06 55.86 2jrh s HIS 10 Cb -0.15 -0.30 0.02 0.00 -0.13 0.00 0.00 32.58 32.01 2jrh s HIS 10 CO 0.02 -0.30 0.83 0.09 -2.47 0.00 0.00 174.74 172.91 2jrh n ASN 11 N 5.32 -5.91 0.00 9.88 3.02 -1.26 -2.40 115.26 123.91 2jrh n ASN 11 Ca -0.05 -0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 2jrh n ASN 11 Cb 0.50 -4.73 0.00 0.00 -0.61 0.00 0.00 39.78 34.94 2jrh n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jrh n GLY 12 N -1.68 2.29 3.77 7.41 0.00 -1.26 -5.00 105.19 110.71 2jrh n GLY 12 Ca -0.05 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 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 4.37 0.10 1.61 2.56 -1.01 -5.01 118.70 121.32 2jrh s GLU 13 Ca 0.00 1.97 0.08 0.00 0.00 0.00 0.00 54.97 57.02 2jrh s GLU 13 Cb 0.00 -3.00 -0.03 0.00 2.00 0.00 0.00 34.13 33.09 2jrh s GLU 13 CO 0.00 -0.08 -0.21 -0.98 -0.56 0.00 0.00 175.26 173.43 2jrh s ARG 14 N -1.81 1.14 -0.01 4.30 1.70 -1.26 -0.12 118.95 122.88 2jrh s ARG 14 Ca 0.50 -1.15 0.04 0.00 -0.47 0.00 0.00 55.73 54.64 2jrh s ARG 14 Cb -0.34 -1.39 -0.01 0.00 -0.57 0.00 0.00 34.95 32.63 2jrh s ARG 14 CO 0.45 0.33 -0.12 1.03 -1.08 0.00 0.00 175.30 175.90 2jrh s ARG 15 N -1.87 1.02 -0.17 3.89 0.52 -0.04 -4.98 118.95 117.32 2jrh s ARG 15 Ca 0.06 -0.43 -0.09 0.00 -0.52 0.00 0.00 55.73 54.75 2jrh s ARG 15 Cb -0.10 -0.98 -0.05 0.00 0.52 0.00 0.00 34.95 34.34 2jrh s ARG 15 CO 0.04 0.25 0.14 0.42 0.02 0.00 0.00 175.30 176.18 2jrh s ILE 16 N -0.23 5.43 -0.02 1.52 1.09 -1.26 -1.90 121.20 125.82 2jrh s ILE 16 Ca 0.04 0.22 0.04 0.00 -1.10 0.00 0.00 60.65 59.85 2jrh s ILE 16 Cb -0.05 -3.46 -0.00 0.00 -1.06 0.00 0.00 42.46 37.88 2jrh s ILE 16 CO -0.00 0.50 -0.13 -0.51 -0.10 0.00 0.00 174.94 174.69 2jrh s ILE 17 N -0.08 1.07 -0.08 2.92 1.10 -0.99 -5.04 121.20 120.10 2jrh s ILE 17 Ca 0.11 -0.55 -0.20 0.00 -0.51 0.00 0.00 60.65 59.50 2jrh s ILE 17 Cb -0.11 -0.92 -0.04 0.00 0.15 0.00 0.00 42.46 41.53 2jrh s ILE 17 CO 0.00 0.31 0.56 0.00 -2.11 0.00 0.00 174.94 173.70 2jrh s ALA 18 N -0.08 3.45 -0.07 1.50 0.00 -1.26 -2.64 121.76 122.66 2jrh s ALA 18 Ca 0.01 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.91 2jrh s ALA 18 Cb -0.08 -2.74 0.02 0.00 0.00 0.00 0.00 23.12 20.32 2jrh s ALA 18 CO 0.00 0.02 -0.06 -0.06 0.00 0.00 0.00 175.76 175.67 2jrh s PHE 19 N 0.44 1.04 -0.05 0.00 0.40 -0.81 -5.01 117.98 113.99 2jrh s PHE 19 Ca 0.30 -0.38 -0.06 0.00 -0.60 0.00 0.00 56.93 56.18 2jrh s PHE 19 Cb -0.16 -0.90 -0.04 0.00 0.51 0.00 0.00 43.02 42.42 2jrh s PHE 19 CO 0.14 -0.30 0.20 -1.12 0.70 0.00 0.00 175.22 174.84 2jrh s SER 20 N 1.23 6.44 0.52 1.36 0.01 -1.26 0.11 113.70 122.11 2jrh s SER 20 Ca -0.05 0.50 -0.19 0.00 1.31 0.00 0.00 55.95 57.51 2jrh s SER 20 Cb -0.14 -2.07 -0.07 0.00 0.21 0.00 0.00 66.02 63.95 2jrh s SER 20 CO -0.02 0.32 1.06 -0.13 0.41 0.00 0.00 173.24 174.88 2jrh s ARG 21 N -1.47 3.62 -0.06 12.44 0.52 -1.24 -3.78 118.95 128.99 2jrh s ARG 21 Ca 0.22 1.36 -0.30 0.00 -0.52 0.00 0.00 55.73 56.49 2jrh s ARG 21 Cb -0.13 -2.07 -0.03 0.00 0.52 0.00 0.00 34.95 33.25 2jrh s ARG 21 CO 0.12 -0.59 1.14 -1.25 0.02 0.00 0.00 175.30 174.74 2jrh s PRO 22 N -3.44 4.39 -0.35 3.54 0.04 -1.26 -4.99 135.00 132.92 2jrh s PRO 22 Ca 0.67 1.59 -0.21 0.00 0.04 0.00 0.00 61.00 63.09 2jrh s PRO 22 Cb -0.17 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 30.84 2jrh s PRO 22 CO 0.25 -0.38 0.68 0.54 0.04 0.00 0.00 177.00 178.13 2jrh s VAL 23 N 2.02 4.84 -0.14 -0.36 0.11 -1.25 -5.05 120.40 120.58 2jrh s VAL 23 Ca 0.54 0.72 -0.08 0.00 -2.93 0.00 0.00 61.98 60.23 2jrh s VAL 23 Cb -0.23 -4.11 -0.04 0.00 -1.53 0.00 0.00 36.38 30.46 2jrh s VAL 23 CO 0.22 -0.33 0.15 -0.54 -3.33 0.00 0.00 175.10 171.27 2jrh s LYS 24 N 2.82 3.67 0.27 1.54 3.01 -1.26 -5.00 119.74 124.79 2jrh s LYS 24 Ca 0.27 -0.13 -0.02 0.00 -1.01 0.00 0.00 55.97 55.08 2jrh s LYS 24 Cb -0.14 -3.26 0.44 0.00 -1.01 0.00 0.00 37.83 33.86 2jrh s LYS 24 CO 0.15 0.64 1.86 -0.92 0.51 0.00 0.00 175.35 177.59 2jrh h TYR 25 N 5.45 1.15 -0.41 3.18 3.20 -1.97 0.05 116.97 127.62 2jrh h TYR 25 Ca -0.51 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.36 2jrh h TYR 25 Cb 1.21 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 2jrh h TYR 25 CO 0.71 0.55 0.15 1.49 -1.64 0.00 0.00 178.16 179.42 2jrh h GLU 26 N 1.09 0.62 -0.35 1.82 4.81 -1.98 0.11 114.58 120.71 2jrh h GLU 26 Ca 0.44 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.49 2jrh h GLU 26 Cb 0.26 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2jrh h GLU 26 CO -0.20 0.60 -0.01 0.22 -0.73 0.00 0.00 179.01 178.89 2jrh h ASP 27 N 0.52 0.61 -0.16 1.04 3.58 -1.81 -0.73 116.42 119.47 2jrh h ASP 27 Ca 0.14 -0.32 -0.02 0.00 0.42 0.00 0.00 57.03 57.25 2jrh h ASP 27 Cb 0.22 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2jrh h ASP 27 CO -0.01 0.78 0.02 0.58 -2.88 0.00 0.00 179.24 177.73 2jrh h VAL 28 N 0.43 1.23 -0.74 2.25 2.07 -0.93 -2.74 116.25 117.81 2jrh h VAL 28 Ca 0.10 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.90 2jrh h VAL 28 Cb 0.47 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 2jrh h VAL 28 CO 0.02 0.22 0.49 -0.08 0.02 0.00 0.00 177.57 178.24 2jrh h GLU 29 N 0.04 0.97 -0.80 1.57 4.81 -0.76 -1.13 114.58 119.28 2jrh h GLU 29 Ca 0.05 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 2jrh h GLU 29 Cb 0.31 -0.22 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 2jrh h GLU 29 CO 0.00 0.64 0.48 0.45 -0.73 0.00 0.00 179.01 179.86 2jrh h HIS 30 N 1.00 0.89 -0.02 0.92 3.86 -1.04 0.34 115.15 121.11 2jrh h HIS 30 Ca 0.27 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.51 2jrh h HIS 30 Cb -0.11 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.08 2jrh h HIS 30 CO -0.02 0.44 -0.01 0.87 0.86 0.00 0.00 177.93 180.06 2jrh h LYS 31 N 0.88 0.04 -0.88 2.45 1.57 -1.14 -2.84 116.57 116.65 2jrh h LYS 31 Ca 0.36 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 2jrh h LYS 31 Cb 0.20 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 2jrh h LYS 31 CO -0.18 0.50 0.50 0.28 -0.57 0.00 0.00 179.45 179.98 2jrh h VAL 32 N -0.43 1.25 -0.84 0.50 2.07 -0.94 -1.61 116.25 116.25 2jrh h VAL 32 Ca 0.00 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 66.95 2jrh h VAL 32 Cb 0.49 0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 2jrh h VAL 32 CO 0.00 0.27 0.55 0.74 0.02 0.00 0.00 177.57 179.16 2jrh h THR 33 N 1.22 1.17 -0.04 2.57 2.02 -0.35 -2.04 112.91 117.45 2jrh h THR 33 Ca 0.31 -0.38 -0.14 0.00 0.77 0.00 0.00 66.41 66.97 2jrh h THR 33 Cb -0.00 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.38 2jrh h THR 33 CO -0.05 0.20 -0.61 0.74 0.37 0.00 0.00 175.52 176.16 2jrh h THR 34 N 1.09 1.41 0.48 3.16 2.02 -1.21 0.68 112.91 120.54 2jrh h THR 34 Ca 0.32 -2.03 -0.02 0.00 0.77 0.00 0.00 66.41 65.44 2jrh h THR 34 Cb -0.06 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 2jrh h THR 34 CO -0.09 0.59 -0.23 0.58 0.37 0.00 0.00 175.52 176.74 2jrh h VAL 35 N 0.11 0.48 0.00 3.16 2.07 -0.63 -3.31 116.25 118.12 2jrh h VAL 35 Ca -0.01 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2jrh h VAL 35 Cb 1.11 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2jrh h VAL 35 CO 0.09 0.05 -0.94 0.49 0.02 0.00 0.00 177.57 177.28 2jrh n PHE 36 N -5.29 0.02 -0.00 1.57 3.01 -0.85 -5.10 117.46 110.81 2jrh n PHE 36 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 2jrh n PHE 36 Cb 0.30 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 2jrh n PHE 36 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jrh n GLY 37 N 1.48 -2.33 3.13 1.37 0.00 0.24 -5.06 105.19 104.01 2jrh n GLY 37 Ca 0.04 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.24 0.64 0.47 1.61 -2.07 -1.25 -4.41 119.66 114.41 2jrh s GLN 38 Ca 0.00 -0.88 -0.16 0.00 -1.82 0.00 0.00 55.36 52.50 2jrh s GLN 38 Cb 0.00 0.25 -0.08 0.00 -1.09 0.00 0.00 33.01 32.08 2jrh s GLN 38 CO 0.00 -0.16 0.92 -2.14 -1.32 0.00 0.00 175.29 172.59 2jrh s PRO 39 N -3.10 3.98 0.04 9.60 0.02 -1.26 -5.00 135.00 139.28 2jrh s PRO 39 Ca -0.01 0.89 0.02 0.00 0.02 0.00 0.00 61.00 61.92 2jrh s PRO 39 Cb 0.02 -2.21 -0.02 0.00 0.02 0.00 0.00 34.50 32.31 2jrh s PRO 39 CO -0.07 -0.15 -0.08 -0.51 -0.33 0.00 0.00 177.00 175.86 2jrh s LEU 40 N -3.78 2.23 -0.20 -5.54 1.43 -1.26 -2.06 118.68 109.50 2jrh s LEU 40 Ca 0.58 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2jrh s LEU 40 Cb -0.10 -0.17 0.01 0.00 0.03 0.00 0.00 46.19 45.95 2jrh s LEU 40 CO 0.27 -0.18 -0.12 -1.81 0.23 0.00 0.00 176.35 174.73 2jrh s ASP 41 N -1.45 3.71 -0.80 2.29 1.01 0.16 -4.89 116.67 116.70 2jrh s ASP 41 Ca -0.09 -0.52 -0.25 0.00 0.71 0.00 0.00 52.55 52.40 2jrh s ASP 41 Cb -0.09 -1.61 0.05 0.00 1.01 0.00 0.00 42.92 42.28 2jrh s ASP 41 CO 0.00 -0.01 1.25 -0.76 0.21 0.00 0.00 175.17 175.87 2jrh s LEU 42 N 1.36 3.55 -0.36 1.23 1.43 -1.26 -2.13 118.68 122.50 2jrh s LEU 42 Ca 0.05 -0.85 -0.15 0.00 -1.03 0.00 0.00 54.13 52.15 2jrh s LEU 42 Cb -0.14 -2.53 -0.00 0.00 0.03 0.00 0.00 46.19 43.55 2jrh s LEU 42 CO -0.08 -1.66 0.35 -2.28 0.23 0.00 0.00 176.35 172.91 2jrh s HIS 43 N 5.11 3.21 -0.25 0.29 2.46 0.19 -3.61 115.29 122.70 2jrh s HIS 43 Ca 0.35 -0.19 -0.12 0.00 0.47 0.00 0.00 55.06 55.57 2jrh s HIS 43 Cb -0.08 -2.67 -0.05 0.00 -0.13 0.00 0.00 32.58 29.66 2jrh s HIS 43 CO 0.07 -0.49 0.22 -0.47 -2.47 0.00 0.00 174.74 171.60 2jrh s TYR 44 N 1.95 3.30 -0.06 3.88 6.14 -0.58 -0.14 117.35 131.83 2jrh s TYR 44 Ca 0.10 0.27 0.03 0.00 0.64 0.00 0.00 57.07 58.12 2jrh s TYR 44 Cb -0.17 -2.35 0.01 0.00 0.42 0.00 0.00 41.96 39.86 2jrh s TYR 44 CO 0.12 -0.02 -0.16 -1.64 0.64 0.00 0.00 175.55 174.49 2jrh s MET 45 N 1.33 1.97 -0.00 4.97 -1.94 -1.24 0.55 119.30 124.93 2jrh s MET 45 Ca 0.10 -0.56 -0.20 0.00 -1.71 0.00 0.00 55.69 53.31 2jrh s MET 45 Cb -0.14 -1.61 -0.26 0.00 2.01 0.00 0.00 34.83 34.83 2jrh s MET 45 CO 0.07 0.13 1.06 -0.91 -0.01 0.00 0.00 175.02 175.35 2jrh h ASN 46 N 6.67 0.55 0.00 3.03 2.35 -1.81 -3.43 115.58 122.94 2jrh h ASN 46 Ca -0.29 -0.81 0.00 0.00 -0.55 0.00 0.00 56.30 54.65 2jrh h ASN 46 Cb 1.19 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.39 2jrh h ASN 46 CO 0.47 1.29 0.00 -0.46 -1.65 0.00 0.00 177.43 177.09 2jrh n ASN 47 N -4.16 0.00 -0.00 5.81 6.94 -1.26 -5.00 115.26 117.59 2jrh n ASN 47 Ca -0.11 0.00 -0.01 0.00 -0.02 0.00 0.00 54.58 54.44 2jrh n ASN 47 Cb 0.73 0.15 -0.00 0.00 -2.36 0.00 0.00 39.78 38.30 2jrh n ASN 47 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2jrh n GLU 48 N -2.13 1.34 -3.54 -3.83 -0.58 -1.26 -5.03 120.64 105.61 2jrh n GLU 48 Ca 0.00 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 2jrh n GLU 48 Cb 0.00 -1.02 -0.06 0.00 -0.57 0.00 0.00 31.44 29.79 2jrh n GLU 48 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2jrh s LEU 49 N -4.71 4.33 -0.25 -4.62 1.02 -1.26 -5.07 118.68 108.12 2jrh s LEU 49 Ca -0.01 0.67 -0.08 0.00 0.02 0.00 0.00 54.13 54.74 2jrh s LEU 49 Cb 0.00 -2.44 -0.03 0.00 0.02 0.00 0.00 46.19 43.74 2jrh s LEU 49 CO 0.02 0.19 0.09 -0.94 0.02 0.00 0.00 176.35 175.73 2jrh s SER 50 N -0.14 5.31 -0.11 2.29 1.04 -1.26 -2.73 113.70 118.10 2jrh s SER 50 Ca 0.20 -0.15 0.01 0.00 0.48 0.00 0.00 55.95 56.49 2jrh s SER 50 Cb -0.14 -1.95 -0.02 0.00 0.10 0.00 0.00 66.02 64.01 2jrh s SER 50 CO 0.07 -0.01 -0.15 -0.63 0.98 0.00 0.00 173.24 173.51 2jrh s ILE 51 N 1.49 2.94 -0.03 -1.02 1.01 0.19 -4.99 121.20 120.79 2jrh s ILE 51 Ca 0.06 -0.72 -0.21 0.00 0.00 0.00 0.00 60.65 59.78 2jrh s ILE 51 Cb -0.15 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 2jrh s ILE 51 CO 0.04 0.54 0.62 -0.22 0.00 0.00 0.00 174.94 175.93 2jrh s LEU 52 N 0.08 4.37 -0.66 2.97 0.20 -1.26 -1.53 118.68 122.86 2jrh s LEU 52 Ca -0.06 1.15 -0.12 0.00 0.69 0.00 0.00 54.13 55.79 2jrh s LEU 52 Cb -0.15 -2.96 0.17 0.00 -0.43 0.00 0.00 46.19 42.82 2jrh s LEU 52 CO 0.05 0.02 0.57 -0.76 -0.29 0.00 0.00 176.35 175.94 2jrh s LEU 53 N 0.20 6.20 -0.30 -0.68 1.43 -1.24 -4.88 118.68 119.42 2jrh s LEU 53 Ca 0.33 -2.33 0.10 0.00 -1.03 0.00 0.00 54.13 51.20 2jrh s LEU 53 Cb -0.18 -2.12 0.55 0.00 0.03 0.00 0.00 46.19 44.47 2jrh s LEU 53 CO 0.17 -0.64 1.54 2.29 0.23 0.00 0.00 176.35 179.94 2jrh n LYS 54 N 4.42 2.19 -3.61 1.70 0.00 -1.26 -4.88 118.16 116.73 2jrh n LYS 54 Ca 0.01 -3.09 -0.02 0.00 -0.00 0.00 0.00 58.31 55.20 2jrh n LYS 54 Cb 0.43 -1.90 -0.01 0.00 -0.00 0.00 0.00 35.03 33.55 2jrh n LYS 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2jrh s ASN 55 N -2.17 -0.14 0.27 -5.58 4.22 -1.26 -5.04 114.94 105.24 2jrh s ASN 55 Ca 0.46 -0.10 -0.02 0.00 -2.14 0.00 0.00 52.86 51.07 2jrh s ASN 55 Cb 0.41 0.22 0.36 0.00 1.28 0.00 0.00 41.25 43.51 2jrh s ASN 55 CO 0.04 -0.38 1.79 1.56 -2.04 0.00 0.00 177.10 178.07 2jrh h GLN 56 N 2.00 0.83 -0.92 3.55 1.08 -1.99 -2.79 115.11 116.85 2jrh h GLN 56 Ca -0.20 -0.19 0.04 0.00 -1.45 0.00 0.00 58.65 56.84 2jrh h GLN 56 Cb 1.20 -0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 28.46 2jrh h GLN 56 CO 0.26 0.78 0.60 -0.44 -0.95 0.00 0.00 178.83 179.08 2jrh h ASP 57 N 0.79 0.99 -0.40 1.46 3.32 -1.98 0.23 116.42 120.83 2jrh h ASP 57 Ca 0.16 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 2jrh h ASP 57 Cb 0.37 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2jrh h ASP 57 CO 0.01 0.68 0.03 0.44 -1.72 0.00 0.00 179.24 178.67 2jrh h ASP 58 N 1.15 0.67 -0.45 6.45 5.19 -1.89 -0.24 116.42 127.30 2jrh h ASP 58 Ca 0.37 -0.29 -0.10 0.00 -0.62 0.00 0.00 57.03 56.40 2jrh h ASP 58 Cb 0.02 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 2jrh h ASP 58 CO -0.13 0.79 -0.09 0.25 -3.12 0.00 0.00 179.24 176.94 2jrh h LEU 59 N 0.52 0.87 -0.53 1.55 5.85 -1.22 -2.29 115.31 120.07 2jrh h LEU 59 Ca 0.12 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 2jrh h LEU 59 Cb 0.43 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2jrh h LEU 59 CO 0.02 1.02 0.18 -0.78 -0.34 0.00 0.00 178.44 178.53 2jrh h ASP 60 N 0.70 0.76 -0.01 1.25 1.82 -0.45 -2.68 116.42 117.81 2jrh h ASP 60 Ca 0.12 -0.20 -0.04 0.00 -0.39 0.00 0.00 57.03 56.51 2jrh h ASP 60 Cb 0.63 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 2jrh h ASP 60 CO 0.04 0.76 -0.10 0.50 -1.61 0.00 0.00 179.24 178.83 2jrh h LYS 61 N 0.72 0.25 -0.80 0.28 3.64 -0.96 -2.73 116.57 116.97 2jrh h LYS 61 Ca 0.17 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 2jrh h LYS 61 Cb 0.26 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 2jrh h LYS 61 CO -0.01 0.36 0.36 0.00 -2.27 0.00 0.00 179.45 177.89 2jrh h ALA 62 N 1.66 1.04 -0.66 5.00 0.00 -1.06 -2.75 119.26 122.48 2jrh h ALA 62 Ca 0.05 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2jrh h ALA 62 Cb 0.33 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2jrh h ALA 62 CO 0.02 0.63 0.17 0.82 0.00 0.00 0.00 179.25 180.89 2jrh h ILE 63 N 1.15 1.26 -0.74 0.00 2.04 -1.40 -2.64 117.51 117.19 2jrh h ILE 63 Ca 0.27 -0.92 0.12 0.00 1.00 0.00 0.00 64.86 65.33 2jrh h ILE 63 Cb 0.16 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 2jrh h ILE 63 CO -0.03 0.35 0.49 0.44 0.00 0.00 0.00 178.15 179.40 2jrh h ASP 64 N 0.98 0.48 -0.57 1.72 3.32 -1.38 -0.86 116.42 120.10 2jrh h ASP 64 Ca 0.21 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.19 2jrh h ASP 64 Cb 0.34 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2jrh h ASP 64 CO -0.00 0.27 0.02 0.40 -1.72 0.00 0.00 179.24 178.21 2jrh h ILE 65 N 0.52 1.26 -0.33 0.35 2.04 -1.33 -2.51 117.51 117.50 2jrh h ILE 65 Ca 0.35 -1.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 2jrh h ILE 65 Cb 0.65 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2jrh h ILE 65 CO -0.12 0.40 0.05 0.25 0.00 0.00 0.00 178.15 178.72 2jrh h LEU 66 N 0.89 0.54 -1.07 1.44 5.85 -1.14 -2.69 115.31 119.13 2jrh h LEU 66 Ca 0.17 -0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.69 2jrh h LEU 66 Cb 0.51 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 2jrh h LEU 66 CO 0.02 0.67 0.63 -0.78 -0.34 0.00 0.00 178.44 178.64 2jrh h ASP 67 N 0.39 0.97 -0.01 1.25 1.82 -1.27 -0.94 116.42 118.63 2jrh h ASP 67 Ca 0.10 0.01 -0.06 0.00 -0.39 0.00 0.00 57.03 56.69 2jrh h ASP 67 Cb 0.36 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 2jrh h ASP 67 CO 0.01 0.61 -0.15 -0.09 -1.61 0.00 0.00 179.24 178.01 2jrh h ARG 68 N 1.09 0.31 -7.00 0.28 2.43 -1.25 -3.44 114.38 106.81 2jrh h ARG 68 Ca 0.43 -0.08 -0.51 0.00 -0.81 0.00 0.00 59.98 59.01 2jrh h ARG 68 Cb 0.23 -0.04 0.06 0.00 -0.42 0.00 0.00 29.97 29.80 2jrh h ARG 68 CO -0.17 0.47 0.48 0.45 -1.51 0.00 0.00 179.97 179.68 2jrh s SER 69 N -6.84 6.19 0.13 -3.80 0.15 -0.36 -4.96 113.70 104.21 2jrh s SER 69 Ca -0.06 2.29 -0.02 0.00 0.70 0.00 0.00 55.95 58.85 2jrh s SER 69 Cb 0.15 -2.60 -0.09 0.00 -1.71 0.00 0.00 66.02 61.77 2jrh s SER 69 CO 0.75 -0.90 1.31 0.28 1.20 0.00 0.00 173.24 175.88 2jrh h SER 70 N 2.04 0.44 0.03 5.45 0.02 -1.85 -3.35 113.55 116.33 2jrh h SER 70 Ca -0.49 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.09 2jrh h SER 70 Cb 1.25 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2jrh h SER 70 CO 0.60 1.17 -0.01 0.77 -1.14 0.00 0.00 176.83 178.22 2jrh h SER 71 N 0.18 -0.03 -6.41 3.07 4.64 -1.93 -3.49 113.55 109.58 2jrh h SER 71 Ca -0.07 -0.69 -0.14 0.00 -0.47 0.00 0.00 61.79 60.42 2jrh h SER 71 Cb 1.59 0.01 0.01 0.00 -0.31 0.00 0.00 62.40 63.69 2jrh h SER 71 CO 0.16 0.77 -1.07 1.15 -0.87 0.00 0.00 176.83 176.96 2jrh n MET 72 N -4.71 -0.91 -3.63 4.77 3.85 -1.26 -4.97 117.12 110.26 2jrh n MET 72 Ca -0.08 1.04 -0.28 0.00 -1.00 0.00 0.00 57.70 57.38 2jrh n MET 72 Cb 0.35 -1.45 -0.11 0.00 -1.05 0.00 0.00 33.22 30.95 2jrh n MET 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2jrh s LYS 73 N -1.53 1.49 0.38 3.17 0.00 -1.26 -5.09 119.74 116.90 2jrh s LYS 73 Ca 0.14 -2.46 0.00 0.00 0.00 0.00 0.00 55.97 53.65 2jrh s LYS 73 Cb -0.01 -2.28 0.00 0.00 0.00 0.00 0.00 37.83 35.54 2jrh s LYS 73 CO 0.33 -1.30 0.00 0.45 0.00 0.00 0.00 175.35 174.83 2jrh n SER 74 N 2.77 -7.15 -4.09 0.03 2.88 -1.26 -4.84 113.62 101.96 2jrh n SER 74 Ca 0.21 1.24 -0.31 0.00 -1.33 0.00 0.00 58.87 58.68 2jrh n SER 74 Cb 0.40 -3.48 -0.16 0.00 -0.75 0.00 0.00 64.21 60.22 2jrh n SER 74 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2jrh s LEU 75 N 0.00 1.92 -0.88 2.46 2.01 -1.26 -5.00 118.68 117.93 2jrh s LEU 75 Ca 0.00 -0.55 -0.23 0.00 0.01 0.00 0.00 54.13 53.36 2jrh s LEU 75 Cb 0.00 -1.31 0.07 0.00 0.01 0.00 0.00 46.19 44.96 2jrh s LEU 75 CO 0.00 0.01 1.26 -0.13 1.01 0.00 0.00 176.35 178.50 2jrh s ARG 76 N 1.15 3.43 -0.17 1.70 0.52 -1.26 -2.57 118.95 121.75 2jrh s ARG 76 Ca -0.01 -1.02 -0.04 0.00 -0.52 0.00 0.00 55.73 54.14 2jrh s ARG 76 Cb -0.14 -4.82 -0.03 0.00 0.52 0.00 0.00 34.95 30.48 2jrh s ARG 76 CO -0.07 -2.04 -0.03 0.42 0.02 0.00 0.00 175.30 173.60 2jrh s ILE 77 N 4.49 3.88 -0.21 1.52 1.01 -0.85 -3.65 121.20 127.39 2jrh s ILE 77 Ca 0.37 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.59 2jrh s ILE 77 Cb -0.06 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 2jrh s ILE 77 CO -0.01 0.47 0.08 -0.76 0.00 0.00 0.00 174.94 174.72 2jrh s LEU 78 N 0.58 3.77 -0.09 2.97 1.02 0.81 -1.41 118.68 126.32 2jrh s LEU 78 Ca -0.02 0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.14 2jrh s LEU 78 Cb -0.14 -1.98 -0.03 0.00 0.02 0.00 0.00 46.19 44.06 2jrh s LEU 78 CO 0.02 0.10 -0.08 -1.48 0.02 0.00 0.00 176.35 174.93 2jrh s LEU 79 N 0.82 3.07 0.13 1.79 0.05 -0.97 -0.64 118.68 122.93 2jrh s LEU 79 Ca 0.04 -0.11 0.06 0.00 0.05 0.00 0.00 54.13 54.17 2jrh s LEU 79 Cb -0.13 -1.68 -0.04 0.00 -2.05 0.00 0.00 46.19 42.29 2jrh s LEU 79 CO 0.02 0.29 -0.14 -0.76 -0.55 0.00 0.00 176.35 175.21 2jrh s LEU 80 N -0.36 2.42 0.16 1.48 1.02 -0.91 -4.65 118.68 117.85 2jrh s LEU 80 Ca 0.05 -0.84 -0.22 0.00 0.02 0.00 0.00 54.13 53.14 2jrh s LEU 80 Cb -0.12 -0.57 -0.08 0.00 0.02 0.00 0.00 46.19 45.44 2jrh s LEU 80 CO 0.02 -0.15 0.71 -0.44 0.02 0.00 0.00 176.35 176.51 2jrh s SER 81 N -2.57 7.20 0.00 2.29 0.01 -1.26 0.38 113.70 119.75 2jrh s SER 81 Ca 0.11 1.48 0.18 0.00 1.31 0.00 0.00 55.95 59.02 2jrh s SER 81 Cb -0.04 -2.44 0.68 0.00 0.21 0.00 0.00 66.02 64.43 2jrh s SER 81 CO 0.03 0.17 1.49 1.67 0.41 0.00 0.00 173.24 177.02 2jrh n GLN 82 N 1.35 1.61 -3.17 12.44 -0.06 -0.88 -4.39 117.38 124.28 2jrh n GLN 82 Ca -0.06 -0.93 -0.21 0.00 -2.00 0.00 0.00 57.00 53.81 2jrh n GLN 82 Cb 0.50 -1.34 -0.06 0.00 -4.06 0.00 0.00 30.24 25.28 2jrh n GLN 82 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2jrh n ASP 83 N 0.17 -1.06 -0.98 1.69 9.92 -1.26 -4.96 116.55 120.07 2jrh n ASP 83 Ca 0.14 -2.63 0.03 0.00 -0.53 0.00 0.00 54.79 51.80 2jrh n ASP 83 Cb 0.27 0.04 0.23 0.00 -0.64 0.00 0.00 41.12 41.02 2jrh n ASP 83 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2jrh n ARG 84 N 2.38 2.38 -3.43 -1.24 1.85 -1.26 -4.89 116.66 112.45 2jrh n ARG 84 Ca 0.24 -2.97 -0.17 0.00 -1.00 0.00 0.00 57.85 53.95 2jrh n ARG 84 Cb 0.52 -1.82 -0.11 0.00 -1.05 0.00 0.00 32.46 30.00 2jrh n ARG 84 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 2jrh s ASN 85 N -2.22 1.39 -0.33 2.89 -0.87 -1.26 -5.12 114.94 109.42 2jrh s ASN 85 Ca 0.43 -0.42 -0.21 0.00 -1.57 0.00 0.00 52.86 51.09 2jrh s ASN 85 Cb 0.37 0.53 0.00 0.00 -0.02 0.00 0.00 41.25 42.13 2jrh s ASN 85 CO 0.05 -0.35 0.69 -1.48 -2.57 0.00 0.00 177.10 173.43 2jrh s LEU 86 N 2.37 4.17 -0.28 0.60 0.05 -1.26 -5.02 118.68 119.30 2jrh s LEU 86 Ca 0.09 0.36 0.01 0.00 0.05 0.00 0.00 54.13 54.63 2jrh s LEU 86 Cb -0.15 -2.89 0.08 0.00 -2.05 0.00 0.00 46.19 41.18 2jrh s LEU 86 CO -0.23 -0.59 0.03 -0.70 -0.55 0.00 0.00 176.35 174.31 2jrh s GLU 87 N 2.80 1.20 0.27 1.48 -6.30 -1.26 -5.12 118.70 111.78 2jrh s GLU 87 Ca 0.27 -1.21 0.02 0.00 -2.50 0.00 0.00 54.97 51.56 2jrh s GLU 87 Cb -0.14 -2.50 0.02 0.00 0.00 0.00 0.00 34.13 31.51 2jrh s GLU 87 CO 0.14 -0.82 0.17 0.72 0.02 0.00 0.00 175.26 175.48 2jrh n HIS 88 N 4.65 -0.74 -0.88 5.30 8.25 -1.26 -5.02 115.22 125.51 2jrh n HIS 88 Ca -0.04 -1.19 -0.20 0.00 -0.26 0.00 0.00 57.72 56.02 2jrh n HIS 88 Cb 0.43 -0.22 0.06 0.00 1.12 0.00 0.00 29.99 31.39 2jrh n HIS 88 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jrh n HIS 89 N -1.06 1.98 -3.16 4.41 -0.00 -1.26 -4.73 115.22 111.41 2jrh n HIS 89 Ca -0.03 -2.07 -0.43 0.00 0.46 0.00 0.00 57.72 55.65 2jrh n HIS 89 Cb 0.32 -1.01 0.00 0.00 -0.12 0.00 0.00 29.99 29.18 2jrh n HIS 89 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jrh n HIS 90 N -0.11 3.47 -1.38 1.57 -0.00 -1.26 -5.04 115.22 112.48 2jrh n HIS 90 Ca 0.39 -3.16 -0.33 0.00 -0.00 0.00 0.00 57.72 54.62 2jrh n HIS 90 Cb 0.73 -1.40 0.09 0.00 -0.00 0.00 0.00 29.99 29.41 2jrh n HIS 90 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jrh s HIS 91 N -2.20 2.21 -0.43 1.57 0.09 -1.26 -4.99 115.29 110.28 2jrh s HIS 91 Ca 0.31 1.61 -0.15 0.00 -0.00 0.00 0.00 55.06 56.83 2jrh s HIS 91 Cb -0.01 -3.31 0.03 0.00 -0.00 0.00 0.00 32.58 29.30 2jrh s HIS 91 CO 0.03 -2.28 0.35 -3.38 -0.00 0.00 0.00 174.74 169.46 2jrh s HIS 92 N -2.32 3.23 -2.00 1.40 -3.43 -1.26 -5.25 115.29 105.66 2jrh s HIS 92 Ca 0.69 -0.64 0.26 0.00 -0.80 0.00 0.00 55.06 54.58 2jrh s HIS 92 Cb -0.24 -2.78 1.58 0.00 -1.43 0.00 0.00 32.58 29.71 2jrh s HIS 92 CO 0.48 -0.66 1.93 -2.39 -2.00 0.00 0.00 174.74 172.10