#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 -6.96 -2.79 2.61 7.64 -1.26 -4.90 113.62 107.96 2jrh n SER 2 Ca 0.00 0.07 -0.03 0.00 1.01 0.00 0.00 58.87 59.92 2jrh n SER 2 Cb 0.00 -4.68 0.02 0.00 -1.01 0.00 0.00 64.21 58.53 2jrh n SER 2 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2jrh s ASP 3 N -2.73 -0.95 -0.11 6.43 1.01 -1.26 -3.30 116.67 115.76 2jrh s ASP 3 Ca 0.05 -0.99 -0.30 0.00 0.71 0.00 0.00 52.55 52.03 2jrh s ASP 3 Cb -0.01 1.24 -0.01 0.00 1.01 0.00 0.00 42.92 45.15 2jrh s ASP 3 CO 0.64 -0.05 1.02 -0.69 0.21 0.00 0.00 175.17 176.30 2jrh s VAL 4 N 1.14 4.76 -0.49 -1.27 1.01 -0.65 -4.82 120.40 120.07 2jrh s VAL 4 Ca 0.25 2.03 -0.19 0.00 0.00 0.00 0.00 61.98 64.07 2jrh s VAL 4 Cb 0.04 -4.31 0.05 0.00 0.00 0.00 0.00 36.38 32.17 2jrh s VAL 4 CO -0.08 -0.01 0.60 -0.13 0.00 0.00 0.00 175.10 175.49 2jrh s ARG 5 N 2.08 3.13 -0.15 2.72 0.52 -1.26 -2.09 118.95 123.89 2jrh s ARG 5 Ca 0.48 -0.84 -0.07 0.00 -0.52 0.00 0.00 55.73 54.78 2jrh s ARG 5 Cb -0.18 -4.07 -0.04 0.00 0.52 0.00 0.00 34.95 31.17 2jrh s ARG 5 CO 0.17 -1.16 0.10 0.42 0.02 0.00 0.00 175.30 174.85 2jrh s ILE 6 N 2.58 5.13 -0.30 1.52 1.09 -0.30 -3.45 121.20 127.47 2jrh s ILE 6 Ca 0.15 0.08 -0.12 0.00 -1.10 0.00 0.00 60.65 59.67 2jrh s ILE 6 Cb -0.19 -3.28 -0.04 0.00 -1.06 0.00 0.00 42.46 37.90 2jrh s ILE 6 CO 0.13 0.52 0.20 -0.54 -0.10 0.00 0.00 174.94 175.15 2jrh s LYS 7 N -0.24 3.75 -0.15 2.79 1.02 -0.52 -2.27 119.74 124.12 2jrh s LYS 7 Ca 0.09 -0.46 -0.04 0.00 0.02 0.00 0.00 55.97 55.58 2jrh s LYS 7 Cb -0.12 -3.70 -0.03 0.00 -0.52 0.00 0.00 37.83 33.46 2jrh s LYS 7 CO 0.01 -0.29 -0.01 -0.06 -0.92 0.00 0.00 175.35 174.08 2jrh s PHE 8 N 1.74 3.10 -0.06 3.18 0.40 -0.66 -3.35 117.98 122.33 2jrh s PHE 8 Ca 0.07 -0.11 0.03 0.00 -0.60 0.00 0.00 56.93 56.31 2jrh s PHE 8 Cb -0.17 -1.95 0.01 0.00 0.51 0.00 0.00 43.02 41.42 2jrh s PHE 8 CO 0.10 0.11 -0.16 -2.00 0.70 0.00 0.00 175.22 173.98 2jrh s GLU 9 N 0.12 1.91 -0.04 0.44 2.12 -1.25 -0.55 118.70 121.46 2jrh s GLU 9 Ca 0.01 -0.55 -0.02 0.00 0.36 0.00 0.00 54.97 54.77 2jrh s GLU 9 Cb -0.13 -1.58 0.03 0.00 0.26 0.00 0.00 34.13 32.71 2jrh s GLU 9 CO 0.02 0.13 0.05 -1.58 -0.54 0.00 0.00 175.26 173.34 2jrh s HIS 10 N 0.39 0.13 -1.53 5.30 2.46 -0.31 -3.76 115.29 117.97 2jrh s HIS 10 Ca -0.11 0.20 -0.02 0.00 0.47 0.00 0.00 55.06 55.60 2jrh s HIS 10 Cb -0.14 -0.49 0.01 0.00 -0.13 0.00 0.00 32.58 31.82 2jrh s HIS 10 CO 0.04 -0.19 0.18 0.09 -2.47 0.00 0.00 174.74 172.39 2jrh n ASN 11 N 5.16 -5.36 0.00 9.88 4.13 -1.26 -1.28 115.26 126.53 2jrh n ASN 11 Ca -0.06 -0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.14 2jrh n ASN 11 Cb 0.50 -4.44 0.00 0.00 -1.54 0.00 0.00 39.78 34.30 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 -1.10 2.84 3.77 7.41 0.00 -1.26 -5.03 105.19 111.82 2jrh n GLY 12 Ca -0.18 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 2jrh n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jrh s GLU 13 N 0.00 4.23 0.16 1.61 2.02 -0.40 -5.03 118.70 121.29 2jrh s GLU 13 Ca 0.00 2.26 0.04 0.00 0.02 0.00 0.00 54.97 57.29 2jrh s GLU 13 Cb 0.00 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 31.21 2jrh s GLU 13 CO 0.00 -0.31 0.19 0.50 0.02 0.00 0.00 175.26 175.66 2jrh s ARG 14 N -1.94 3.09 -0.10 1.61 3.52 -1.26 -1.16 118.95 122.71 2jrh s ARG 14 Ca 0.51 -0.78 -0.16 0.00 -0.13 0.00 0.00 55.73 55.17 2jrh s ARG 14 Cb -0.40 -2.76 0.04 0.00 -1.56 0.00 0.00 34.95 30.27 2jrh s ARG 14 CO 0.54 0.50 0.41 0.50 -0.81 0.00 0.00 175.30 176.43 2jrh s ARG 15 N -3.16 0.60 -0.15 5.12 6.06 0.29 -4.98 118.95 122.74 2jrh s ARG 15 Ca 0.32 0.30 -0.01 0.00 -2.50 0.00 0.00 55.73 53.84 2jrh s ARG 15 Cb -0.10 0.28 -0.01 0.00 0.06 0.00 0.00 34.95 35.18 2jrh s ARG 15 CO 0.25 -0.12 -0.11 0.42 -2.50 0.00 0.00 175.30 173.24 2jrh s ILE 16 N -0.42 3.11 -0.04 4.11 1.01 -1.26 -1.66 121.20 126.06 2jrh s ILE 16 Ca -0.06 -0.63 -0.01 0.00 0.00 0.00 0.00 60.65 59.96 2jrh s ILE 16 Cb -0.03 -2.33 0.03 0.00 0.01 0.00 0.00 42.46 40.13 2jrh s ILE 16 CO 0.03 0.50 0.02 -0.63 0.00 0.00 0.00 174.94 174.86 2jrh s ILE 17 N 0.60 0.09 -0.13 2.92 1.01 -0.96 -5.03 121.20 119.71 2jrh s ILE 17 Ca -0.07 0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.78 2jrh s ILE 17 Cb -0.15 -0.25 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 2jrh s ILE 17 CO 0.03 0.16 -0.10 0.00 0.00 0.00 0.00 174.94 175.03 2jrh s ALA 18 N 1.49 2.75 -0.09 9.38 0.00 -1.26 -1.15 121.76 132.89 2jrh s ALA 18 Ca -0.03 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.07 2jrh s ALA 18 Cb -0.13 -1.30 0.02 0.00 0.00 0.00 0.00 23.12 21.71 2jrh s ALA 18 CO -0.03 0.28 -0.12 -0.06 0.00 0.00 0.00 175.76 175.83 2jrh s PHE 19 N 0.23 1.58 0.09 0.00 0.08 -0.89 -4.96 117.98 114.11 2jrh s PHE 19 Ca -0.07 -0.67 -0.31 0.00 0.12 0.00 0.00 56.93 56.00 2jrh s PHE 19 Cb -0.15 -1.19 -0.08 0.00 -0.57 0.00 0.00 43.02 41.04 2jrh s PHE 19 CO 0.04 -0.37 1.45 0.45 -0.10 0.00 0.00 175.22 176.69 2jrh s SER 20 N 0.96 6.77 0.54 1.36 0.15 -1.26 -1.64 113.70 120.59 2jrh s SER 20 Ca -0.09 2.33 -0.19 0.00 0.70 0.00 0.00 55.95 58.71 2jrh s SER 20 Cb -0.15 -2.58 -0.06 0.00 -1.71 0.00 0.00 66.02 61.53 2jrh s SER 20 CO -0.00 -0.72 1.10 -0.13 1.20 0.00 0.00 173.24 174.69 2jrh s ARG 21 N 1.65 3.41 -0.03 5.44 0.52 -1.21 -3.79 118.95 124.93 2jrh s ARG 21 Ca 0.66 1.50 -0.30 0.00 -0.52 0.00 0.00 55.73 57.07 2jrh s ARG 21 Cb -0.37 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 2jrh s ARG 21 CO 0.30 -0.78 1.23 -2.14 0.02 0.00 0.00 175.30 173.93 2jrh s PRO 22 N -3.41 4.35 0.11 3.54 0.02 -1.26 -4.88 135.00 133.48 2jrh s PRO 22 Ca 0.70 1.73 -0.30 0.00 0.02 0.00 0.00 61.00 63.14 2jrh s PRO 22 Cb -0.21 -3.54 -0.07 0.00 0.02 0.00 0.00 34.50 30.71 2jrh s PRO 22 CO 0.27 -0.44 1.20 0.54 -0.33 0.00 0.00 177.00 178.24 2jrh s VAL 23 N 2.11 3.85 -0.20 3.83 0.11 -1.25 -5.02 120.40 123.83 2jrh s VAL 23 Ca 0.57 1.40 -0.13 0.00 -2.93 0.00 0.00 61.98 60.89 2jrh s VAL 23 Cb -0.26 -3.90 -0.05 0.00 -1.53 0.00 0.00 36.38 30.65 2jrh s VAL 23 CO 0.23 0.15 0.28 -0.54 -3.33 0.00 0.00 175.10 171.89 2jrh s LYS 24 N 0.58 4.17 0.23 1.54 1.02 -1.26 -4.98 119.74 121.04 2jrh s LYS 24 Ca 0.57 0.00 -0.06 0.00 0.02 0.00 0.00 55.97 56.50 2jrh s LYS 24 Cb -0.31 -3.49 0.38 0.00 -0.52 0.00 0.00 37.83 33.89 2jrh s LYS 24 CO 0.32 0.11 1.77 -0.92 -0.92 0.00 0.00 175.35 175.71 2jrh h TYR 25 N 7.13 0.65 -0.84 3.18 3.20 -1.95 -0.47 116.97 127.87 2jrh h TYR 25 Ca -0.39 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.51 2jrh h TYR 25 Cb 1.16 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 39.21 2jrh h TYR 25 CO 0.64 0.21 0.49 0.93 -1.64 0.00 0.00 178.16 178.80 2jrh h GLU 26 N 0.60 1.14 -0.25 1.82 4.39 -1.99 -0.34 114.58 119.97 2jrh h GLU 26 Ca 0.38 -0.11 -0.09 0.00 0.34 0.00 0.00 59.36 59.88 2jrh h GLU 26 Cb 0.44 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2jrh h GLU 26 CO -0.30 0.81 -0.18 0.22 -1.16 0.00 0.00 179.01 178.40 2jrh h ASP 27 N 1.16 0.59 -0.21 1.42 3.58 -1.62 -1.30 116.42 120.03 2jrh h ASP 27 Ca 0.30 -0.45 -0.02 0.00 0.42 0.00 0.00 57.03 57.29 2jrh h ASP 27 Cb -0.03 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 2jrh h ASP 27 CO -0.05 0.91 0.07 0.58 -2.88 0.00 0.00 179.24 177.87 2jrh h VAL 28 N 0.27 1.18 -0.51 2.25 2.07 -0.87 -2.87 116.25 117.77 2jrh h VAL 28 Ca 0.05 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 2jrh h VAL 28 Cb 0.72 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 2jrh h VAL 28 CO 0.05 0.18 0.10 1.05 0.02 0.00 0.00 177.57 178.97 2jrh h GLU 29 N 0.18 0.79 -0.57 1.57 4.11 -1.10 -2.25 114.58 117.32 2jrh h GLU 29 Ca 0.07 -0.17 0.05 0.00 0.07 0.00 0.00 59.36 59.39 2jrh h GLU 29 Cb 0.21 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 2jrh h GLU 29 CO -0.00 0.73 0.29 1.25 0.07 0.00 0.00 179.01 181.35 2jrh h HIS 30 N 0.76 0.53 -0.05 2.06 2.76 -1.04 0.47 115.15 120.63 2jrh h HIS 30 Ca 0.17 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.34 2jrh h HIS 30 Cb 0.31 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.12 2jrh h HIS 30 CO 0.02 0.24 -0.03 -0.22 -1.30 0.00 0.00 177.93 176.64 2jrh h LYS 31 N 0.55 0.11 -0.79 5.26 3.64 -1.29 -2.65 116.57 121.39 2jrh h LYS 31 Ca 0.26 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 2jrh h LYS 31 Cb 0.18 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 2jrh h LYS 31 CO -0.18 0.52 0.36 0.28 -2.27 0.00 0.00 179.45 178.17 2jrh h VAL 32 N -0.30 1.25 -0.26 2.00 2.07 -1.18 0.11 116.25 119.95 2jrh h VAL 32 Ca 0.01 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 2jrh h VAL 32 Cb 0.50 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2jrh h VAL 32 CO 0.01 0.31 0.15 0.74 0.02 0.00 0.00 177.57 178.80 2jrh h THR 33 N 1.13 1.10 -0.11 2.57 2.02 -0.08 0.36 112.91 119.91 2jrh h THR 33 Ca 0.27 -0.25 -0.12 0.00 0.77 0.00 0.00 66.41 67.09 2jrh h THR 33 Cb 0.15 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 2jrh h THR 33 CO -0.03 0.10 -0.40 0.74 0.37 0.00 0.00 175.52 176.30 2jrh h THR 34 N 0.32 1.38 -0.29 3.16 2.02 -1.32 0.39 112.91 118.57 2jrh h THR 34 Ca 0.09 -1.73 -0.06 0.00 0.77 0.00 0.00 66.41 65.48 2jrh h THR 34 Cb 0.02 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 2jrh h THR 34 CO -0.02 0.51 -0.05 0.58 0.37 0.00 0.00 175.52 176.91 2jrh h VAL 35 N 0.03 1.28 -0.53 3.16 2.07 -0.75 -3.20 116.25 118.30 2jrh h VAL 35 Ca -0.02 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.44 2jrh h VAL 35 Cb 1.03 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2jrh h VAL 35 CO 0.08 0.34 0.00 0.49 0.02 0.00 0.00 177.57 178.50 2jrh n PHE 36 N -4.52 0.70 -0.51 1.57 3.01 0.13 -5.07 117.46 112.77 2jrh n PHE 36 Ca -0.03 -0.35 0.07 0.00 1.01 0.00 0.00 57.45 58.14 2jrh n PHE 36 Cb 0.30 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.75 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 1.56 -2.00 3.13 1.37 0.00 0.14 -4.96 105.19 104.42 2jrh n GLY 37 Ca 0.21 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.17 0.72 0.35 1.61 -2.07 -1.23 -4.40 119.66 112.47 2jrh s GLN 38 Ca 0.00 -1.06 -0.10 0.00 -1.82 0.00 0.00 55.36 52.39 2jrh s GLN 38 Cb 0.00 -0.34 -0.07 0.00 -1.09 0.00 0.00 33.01 31.52 2jrh s GLN 38 CO 0.00 0.04 0.69 -1.25 -1.32 0.00 0.00 175.29 173.45 2jrh s PRO 39 N -2.64 3.78 0.23 9.60 0.04 -1.26 -4.88 135.00 139.87 2jrh s PRO 39 Ca 0.01 0.37 0.09 0.00 0.04 0.00 0.00 61.00 61.51 2jrh s PRO 39 Cb -0.03 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 2jrh s PRO 39 CO -0.01 0.08 -0.15 -0.51 0.04 0.00 0.00 177.00 176.45 2jrh s LEU 40 N -3.56 2.56 -0.17 -3.56 1.43 -1.26 -1.86 118.68 112.26 2jrh s LEU 40 Ca 0.50 -1.04 -0.03 0.00 -1.03 0.00 0.00 54.13 52.53 2jrh s LEU 40 Cb -0.10 -0.79 -0.02 0.00 0.03 0.00 0.00 46.19 45.31 2jrh s LEU 40 CO 0.28 -0.12 -0.06 -0.62 0.23 0.00 0.00 176.35 176.05 2jrh s ASP 41 N -3.38 4.40 -0.74 2.29 2.15 -0.03 -4.90 116.67 116.45 2jrh s ASP 41 Ca 0.25 -0.28 -0.20 0.00 0.43 0.00 0.00 52.55 52.75 2jrh s ASP 41 Cb -0.02 -1.72 0.10 0.00 -0.30 0.00 0.00 42.92 40.99 2jrh s ASP 41 CO 0.10 0.10 0.96 -0.76 -0.17 0.00 0.00 175.17 175.40 2jrh s LEU 42 N 0.77 4.88 -0.18 -1.34 1.02 -1.26 -2.74 118.68 119.83 2jrh s LEU 42 Ca -0.03 -1.49 -0.01 0.00 0.02 0.00 0.00 54.13 52.62 2jrh s LEU 42 Cb -0.15 -2.38 -0.00 0.00 0.02 0.00 0.00 46.19 43.68 2jrh s LEU 42 CO 0.02 -1.22 -0.12 -2.28 0.02 0.00 0.00 176.35 172.76 2jrh s HIS 43 N 3.20 2.85 -0.18 0.29 2.46 -1.14 -4.09 115.29 118.69 2jrh s HIS 43 Ca 0.24 -1.08 -0.06 0.00 0.47 0.00 0.00 55.06 54.63 2jrh s HIS 43 Cb -0.14 -1.97 -0.04 0.00 -0.13 0.00 0.00 32.58 30.31 2jrh s HIS 43 CO 0.02 -0.53 0.03 -0.47 -2.47 0.00 0.00 174.74 171.31 2jrh s TYR 44 N 1.09 3.16 -0.10 3.88 6.14 -1.10 -1.51 117.35 128.91 2jrh s TYR 44 Ca 0.00 -0.09 -0.01 0.00 0.64 0.00 0.00 57.07 57.62 2jrh s TYR 44 Cb -0.14 -2.04 0.02 0.00 0.42 0.00 0.00 41.96 40.22 2jrh s TYR 44 CO -0.03 0.06 -0.06 0.00 0.64 0.00 0.00 175.55 176.16 2jrh s MET 45 N 0.43 1.26 -0.02 4.97 0.23 -1.26 -1.81 119.30 123.11 2jrh s MET 45 Ca 0.01 -0.16 -0.01 0.00 -1.03 0.00 0.00 55.69 54.50 2jrh s MET 45 Cb -0.13 -1.39 -0.00 0.00 -1.53 0.00 0.00 34.83 31.78 2jrh s MET 45 CO 0.01 -0.26 -0.01 -0.97 -2.03 0.00 0.00 175.02 171.76 2jrh h ASN 46 N 8.14 0.00 0.00 -1.18 -0.73 -1.83 -3.45 115.58 116.52 2jrh h ASN 46 Ca -0.27 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.90 2jrh h ASN 46 Cb 1.13 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.72 2jrh h ASN 46 CO 0.37 0.10 0.00 0.59 -0.37 0.00 0.00 177.43 178.12 2jrh n ASN 47 N -2.53 0.00 -0.57 1.15 4.13 -1.26 -4.96 115.26 111.22 2jrh n ASN 47 Ca -0.01 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.31 2jrh n ASN 47 Cb 0.02 0.12 0.10 0.00 -1.54 0.00 0.00 39.78 38.49 2jrh n ASN 47 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2jrh n GLU 48 N -1.81 1.68 -4.58 3.52 1.02 -1.26 -4.98 120.64 114.23 2jrh n GLU 48 Ca 0.00 -1.62 -0.21 0.00 -0.02 0.00 0.00 57.16 55.31 2jrh n GLU 48 Cb 0.00 -1.26 -0.15 0.00 -0.02 0.00 0.00 31.44 30.01 2jrh n GLU 48 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2jrh s LEU 49 N -0.99 2.03 -0.14 -4.62 2.34 -1.26 -5.14 118.68 110.89 2jrh s LEU 49 Ca 0.19 -0.23 0.00 0.00 0.06 0.00 0.00 54.13 54.15 2jrh s LEU 49 Cb 0.11 -0.66 -0.01 0.00 -0.56 0.00 0.00 46.19 45.07 2jrh s LEU 49 CO 0.16 0.16 -0.14 -0.44 -1.06 0.00 0.00 176.35 175.02 2jrh s SER 50 N -0.31 3.83 -0.04 1.48 0.01 -1.26 -2.83 113.70 114.58 2jrh s SER 50 Ca 0.05 -0.39 0.03 0.00 1.31 0.00 0.00 55.95 56.95 2jrh s SER 50 Cb -0.05 -1.58 0.00 0.00 0.21 0.00 0.00 66.02 64.60 2jrh s SER 50 CO -0.00 0.13 -0.14 -0.63 0.41 0.00 0.00 173.24 173.01 2jrh s ILE 51 N 0.52 1.18 -0.10 1.44 1.01 -0.75 -5.05 121.20 119.45 2jrh s ILE 51 Ca -0.09 -0.56 -0.16 0.00 0.00 0.00 0.00 60.65 59.84 2jrh s ILE 51 Cb -0.16 -1.03 -0.05 0.00 0.01 0.00 0.00 42.46 41.23 2jrh s ILE 51 CO 0.04 0.35 0.39 -0.76 0.00 0.00 0.00 174.94 174.96 2jrh s LEU 52 N 0.22 4.32 -0.53 2.97 1.43 -1.26 -2.70 118.68 123.13 2jrh s LEU 52 Ca -0.06 0.74 0.04 0.00 -1.03 0.00 0.00 54.13 53.82 2jrh s LEU 52 Cb -0.12 -2.54 0.14 0.00 0.03 0.00 0.00 46.19 43.70 2jrh s LEU 52 CO 0.02 0.13 0.30 -1.48 0.23 0.00 0.00 176.35 175.54 2jrh s LEU 53 N 0.10 3.92 -0.10 1.79 0.05 -1.26 -4.90 118.68 118.28 2jrh s LEU 53 Ca 0.22 -3.07 0.09 0.00 0.05 0.00 0.00 54.13 51.43 2jrh s LEU 53 Cb -0.15 -1.46 -0.24 0.00 -2.05 0.00 0.00 46.19 42.30 2jrh s LEU 53 CO 0.09 -0.21 0.42 2.29 -0.55 0.00 0.00 176.35 178.39 2jrh n LYS 54 N 3.01 0.67 -3.39 1.48 2.85 -1.26 -4.79 118.16 116.73 2jrh n LYS 54 Ca 0.09 0.22 -0.19 0.00 -1.05 0.00 0.00 58.31 57.38 2jrh n LYS 54 Cb 0.34 -1.70 -0.00 0.00 -0.65 0.00 0.00 35.03 33.01 2jrh n LYS 54 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2jrh s ASN 55 N -6.17 5.79 0.38 -5.58 -0.87 -1.26 -5.01 114.94 102.22 2jrh s ASN 55 Ca -0.11 -0.30 0.09 0.00 -1.57 0.00 0.00 52.86 50.98 2jrh s ASN 55 Cb 0.07 -1.03 0.76 0.00 -0.02 0.00 0.00 41.25 41.03 2jrh s ASN 55 CO 0.80 -0.52 1.90 -0.61 -2.57 0.00 0.00 177.10 176.10 2jrh h GLN 56 N 0.87 0.23 -0.15 -0.60 -0.00 -1.99 -2.87 115.11 110.59 2jrh h GLN 56 Ca -0.44 -0.06 0.03 0.00 -0.00 0.00 0.00 58.65 58.19 2jrh h GLN 56 Cb 1.26 -0.03 -0.03 0.00 0.00 0.00 0.00 27.48 28.68 2jrh h GLN 56 CO 0.51 0.39 -0.05 0.22 0.00 0.00 0.00 178.83 179.91 2jrh h ASP 57 N 0.21 -0.16 -0.41 -0.69 3.58 -1.99 0.13 116.42 117.10 2jrh h ASP 57 Ca 0.04 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 2jrh h ASP 57 Cb 0.41 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 2jrh h ASP 57 CO 0.03 -0.06 0.17 0.44 -2.88 0.00 0.00 179.24 176.93 2jrh h ASP 58 N -0.01 0.56 -0.46 2.28 3.32 -1.89 -1.21 116.42 119.00 2jrh h ASP 58 Ca 0.07 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 56.99 2jrh h ASP 58 Cb 0.13 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 2jrh h ASP 58 CO -0.16 0.56 0.26 0.25 -1.72 0.00 0.00 179.24 178.43 2jrh h LEU 59 N 0.51 0.41 -0.60 1.55 5.85 -1.27 -0.68 115.31 121.09 2jrh h LEU 59 Ca 0.14 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2jrh h LEU 59 Cb 0.18 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2jrh h LEU 59 CO -0.01 0.30 0.20 -0.78 -0.34 0.00 0.00 178.44 177.81 2jrh h ASP 60 N 0.52 0.86 -0.73 1.25 3.58 -0.59 -2.65 116.42 118.68 2jrh h ASP 60 Ca 0.19 -0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 2jrh h ASP 60 Cb 0.03 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.82 2jrh h ASP 60 CO -0.10 0.83 0.34 0.50 -2.88 0.00 0.00 179.24 177.94 2jrh h LYS 61 N 0.85 1.07 -0.85 0.28 3.11 -0.83 -2.61 116.57 117.59 2jrh h LYS 61 Ca 0.20 -0.16 -0.03 0.00 -2.81 0.00 0.00 60.65 57.85 2jrh h LYS 61 Cb 0.26 -0.19 -0.04 0.00 -1.00 0.00 0.00 32.23 31.26 2jrh h LYS 61 CO -0.01 0.83 0.40 0.00 -2.81 0.00 0.00 179.45 177.87 2jrh h ALA 62 N 1.32 1.11 -0.49 5.00 0.00 -0.83 -2.79 119.26 122.58 2jrh h ALA 62 Ca 0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2jrh h ALA 62 Cb 0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2jrh h ALA 62 CO -0.03 0.67 0.18 0.82 0.00 0.00 0.00 179.25 180.88 2jrh h ILE 63 N 1.21 1.22 -0.98 0.00 2.04 -1.13 -2.73 117.51 117.14 2jrh h ILE 63 Ca 0.29 -0.70 0.09 0.00 1.00 0.00 0.00 64.86 65.54 2jrh h ILE 63 Cb 0.12 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 36.89 2jrh h ILE 63 CO -0.04 0.26 0.63 -0.78 0.00 0.00 0.00 178.15 178.22 2jrh h ASP 64 N 0.66 0.95 -0.37 1.72 1.82 -1.23 -1.01 116.42 118.95 2jrh h ASP 64 Ca 0.16 0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.80 2jrh h ASP 64 Cb 0.23 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.05 2jrh h ASP 64 CO -0.01 0.56 0.12 0.40 -1.61 0.00 0.00 179.24 178.70 2jrh h ILE 65 N 1.05 1.21 -0.24 2.25 2.04 -1.24 -1.50 117.51 121.09 2jrh h ILE 65 Ca 0.45 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 2jrh h ILE 65 Cb 0.32 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2jrh h ILE 65 CO -0.20 0.24 0.12 0.25 0.00 0.00 0.00 178.15 178.56 2jrh h LEU 66 N 0.46 0.30 -0.98 1.44 6.46 -1.09 -1.34 115.31 120.56 2jrh h LEU 66 Ca 0.12 -0.10 0.04 0.00 -0.12 0.00 0.00 57.88 57.82 2jrh h LEU 66 Cb 0.26 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.05 2jrh h LEU 66 CO -0.00 0.31 0.64 0.44 -0.62 0.00 0.00 178.44 179.21 2jrh h ASP 67 N 0.27 1.07 0.12 1.25 3.32 -1.12 -1.93 116.42 119.39 2jrh h ASP 67 Ca 0.08 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 2jrh h ASP 67 Cb 0.08 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2jrh h ASP 67 CO -0.01 0.73 -0.34 0.03 -1.72 0.00 0.00 179.24 177.93 2jrh h ARG 68 N 1.23 0.32 -5.89 3.56 3.08 -0.98 -3.42 114.38 112.29 2jrh h ARG 68 Ca 0.39 -0.13 -0.59 0.00 0.07 0.00 0.00 59.98 59.72 2jrh h ARG 68 Cb 0.01 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 2jrh h ARG 68 CO -0.13 0.62 0.59 0.45 -1.07 0.00 0.00 179.97 180.44 2jrh s SER 69 N -6.86 6.93 0.25 7.04 0.15 -0.53 -4.93 113.70 115.74 2jrh s SER 69 Ca -0.05 1.15 0.00 0.00 0.70 0.00 0.00 55.95 57.75 2jrh s SER 69 Cb 0.14 -2.47 0.32 0.00 -1.71 0.00 0.00 66.02 62.29 2jrh s SER 69 CO 0.77 -0.57 1.67 0.77 1.20 0.00 0.00 173.24 177.08 2jrh h SER 70 N 7.60 0.56 0.06 5.45 4.64 -1.82 -3.07 113.55 126.97 2jrh h SER 70 Ca -0.22 -0.21 -0.19 0.00 -0.47 0.00 0.00 61.79 60.70 2jrh h SER 70 Cb 1.08 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2jrh h SER 70 CO 0.91 0.83 -0.71 0.77 -0.87 0.00 0.00 176.83 177.76 2jrh h SER 71 N 0.47 0.68 -3.58 4.97 4.64 -1.91 -3.42 113.55 115.41 2jrh h SER 71 Ca 0.06 -0.43 -0.57 0.00 -0.47 0.00 0.00 61.79 60.39 2jrh h SER 71 Cb 0.74 -0.20 -0.08 0.00 -0.31 0.00 0.00 62.40 62.56 2jrh h SER 71 CO 0.06 1.19 0.88 -0.32 -0.87 0.00 0.00 176.83 177.77 2jrh s MET 72 N -3.75 3.64 -0.11 4.77 0.00 -1.16 -4.83 119.30 117.86 2jrh s MET 72 Ca -0.08 0.41 0.08 0.00 0.00 0.00 0.00 55.69 56.10 2jrh s MET 72 Cb 0.10 -3.94 -0.12 0.00 0.00 0.00 0.00 34.83 30.87 2jrh s MET 72 CO 0.86 -1.44 0.01 0.36 0.00 0.00 0.00 175.02 174.81 2jrh n LYS 73 N 7.89 1.91 -4.38 4.11 2.85 -1.26 -4.61 118.16 124.66 2jrh n LYS 73 Ca 0.10 0.01 -0.25 0.00 -1.05 0.00 0.00 58.31 57.12 2jrh n LYS 73 Cb 0.49 -1.27 -0.12 0.00 -0.65 0.00 0.00 35.03 33.49 2jrh n LYS 73 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2jrh s SER 74 N -4.48 3.11 -0.31 -5.58 0.01 -1.26 -4.77 113.70 100.42 2jrh s SER 74 Ca -0.08 -0.86 -0.18 0.00 1.31 0.00 0.00 55.95 56.15 2jrh s SER 74 Cb 0.03 -0.21 -0.01 0.00 0.21 0.00 0.00 66.02 66.04 2jrh s SER 74 CO 0.40 0.06 0.53 -0.76 0.41 0.00 0.00 173.24 173.88 2jrh s LEU 75 N -2.63 4.19 -0.97 2.44 1.02 -1.22 -4.94 118.68 116.56 2jrh s LEU 75 Ca 0.18 0.26 -0.14 0.00 0.02 0.00 0.00 54.13 54.45 2jrh s LEU 75 Cb -0.07 -2.64 0.21 0.00 0.02 0.00 0.00 46.19 43.71 2jrh s LEU 75 CO 0.08 -0.40 1.01 -0.13 0.02 0.00 0.00 176.35 176.94 2jrh s ARG 76 N 2.39 3.83 -0.17 1.70 3.00 -1.26 -1.43 118.95 127.00 2jrh s ARG 76 Ca 0.20 -2.56 -0.08 0.00 0.00 0.00 0.00 55.73 53.30 2jrh s ARG 76 Cb -0.15 -4.64 -0.04 0.00 0.00 0.00 0.00 34.95 30.12 2jrh s ARG 76 CO 0.12 -1.43 0.09 0.42 0.00 0.00 0.00 175.30 174.50 2jrh s ILE 77 N 0.42 5.05 -0.30 1.52 1.01 -1.21 -4.04 121.20 123.63 2jrh s ILE 77 Ca 0.27 0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.87 2jrh s ILE 77 Cb -0.08 -3.27 -0.02 0.00 0.01 0.00 0.00 42.46 39.10 2jrh s ILE 77 CO -0.08 0.48 0.18 -0.22 0.00 0.00 0.00 174.94 175.30 2jrh s LEU 78 N 0.12 4.13 -0.20 2.97 2.96 -0.57 -3.92 118.68 124.17 2jrh s LEU 78 Ca 0.07 -0.32 -0.07 0.00 -0.22 0.00 0.00 54.13 53.59 2jrh s LEU 78 Cb -0.12 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 2jrh s LEU 78 CO -0.00 -0.15 0.06 -1.48 -1.32 0.00 0.00 176.35 173.46 2jrh s LEU 79 N 1.68 3.65 -0.16 -0.68 0.05 -1.25 -2.88 118.68 119.10 2jrh s LEU 79 Ca 0.06 -0.02 0.01 0.00 0.05 0.00 0.00 54.13 54.23 2jrh s LEU 79 Cb -0.17 -1.94 0.01 0.00 -2.05 0.00 0.00 46.19 42.05 2jrh s LEU 79 CO 0.08 0.11 -0.20 -0.76 -0.55 0.00 0.00 176.35 175.04 2jrh s LEU 80 N 0.75 2.20 0.34 1.48 1.02 -1.11 -4.74 118.68 118.61 2jrh s LEU 80 Ca 0.03 -0.60 -0.27 0.00 0.02 0.00 0.00 54.13 53.31 2jrh s LEU 80 Cb -0.13 -1.49 -0.09 0.00 0.02 0.00 0.00 46.19 44.50 2jrh s LEU 80 CO 0.02 0.04 1.07 -0.94 0.02 0.00 0.00 176.35 176.57 2jrh s SER 81 N 1.04 7.02 0.00 2.29 1.04 -1.26 -0.85 113.70 122.98 2jrh s SER 81 Ca -0.01 2.16 0.17 0.00 0.48 0.00 0.00 55.95 58.74 2jrh s SER 81 Cb -0.14 -2.61 0.73 0.00 0.10 0.00 0.00 66.02 64.10 2jrh s SER 81 CO -0.06 -0.31 1.51 1.67 0.98 0.00 0.00 173.24 177.02 2jrh n GLN 82 N 0.59 1.42 -4.19 4.02 -0.06 -0.78 -4.87 117.38 113.51 2jrh n GLN 82 Ca 0.02 -0.64 -0.12 0.00 -2.00 0.00 0.00 57.00 54.27 2jrh n GLN 82 Cb 0.47 -1.30 -0.10 0.00 -4.06 0.00 0.00 30.24 25.25 2jrh n GLN 82 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2jrh s ASP 83 N -1.44 0.42 -0.15 1.69 1.11 -1.26 -5.00 116.67 112.04 2jrh s ASP 83 Ca 0.26 -1.29 0.07 0.00 0.18 0.00 0.00 52.55 51.77 2jrh s ASP 83 Cb 0.13 0.30 -0.14 0.00 1.07 0.00 0.00 42.92 44.28 2jrh s ASP 83 CO 0.20 -0.75 -0.05 0.54 1.18 0.00 0.00 175.17 176.29 2jrh n ARG 84 N -0.21 1.12 -3.79 8.23 1.74 -1.26 -4.99 116.66 117.50 2jrh n ARG 84 Ca -0.02 0.05 -0.36 0.00 -0.77 0.00 0.00 57.85 56.74 2jrh n ARG 84 Cb 0.65 -1.35 -0.06 0.00 -1.02 0.00 0.00 32.46 30.68 2jrh n ARG 84 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2jrh s ASN 85 N -5.18 6.48 -0.12 0.55 3.04 -1.26 -5.10 114.94 113.36 2jrh s ASN 85 Ca -0.15 0.56 -0.06 0.00 0.04 0.00 0.00 52.86 53.25 2jrh s ASN 85 Cb 0.05 -2.09 -0.04 0.00 -1.54 0.00 0.00 41.25 37.63 2jrh s ASN 85 CO 0.48 0.32 0.09 -0.76 -3.04 0.00 0.00 177.10 174.19 2jrh s LEU 86 N -1.42 4.06 0.36 3.21 1.43 -1.26 -5.04 118.68 120.02 2jrh s LEU 86 Ca 0.22 0.31 0.09 0.00 -1.03 0.00 0.00 54.13 53.72 2jrh s LEU 86 Cb -0.13 -1.98 -0.07 0.00 0.03 0.00 0.00 46.19 44.04 2jrh s LEU 86 CO 0.11 0.36 -0.06 -0.70 0.23 0.00 0.00 176.35 176.30 2jrh s GLU 87 N -0.76 1.88 -0.28 1.70 2.12 -1.26 -4.95 118.70 117.15 2jrh s GLU 87 Ca 0.13 -1.95 -0.04 0.00 0.36 0.00 0.00 54.97 53.47 2jrh s GLU 87 Cb -0.12 -1.72 0.00 0.00 0.26 0.00 0.00 34.13 32.56 2jrh s GLU 87 CO 0.03 0.10 0.14 1.58 -0.54 0.00 0.00 175.26 176.57 2jrh n HIS 88 N -0.85 -3.16 -3.80 5.30 -0.00 -1.26 -4.95 115.22 106.50 2jrh n HIS 88 Ca -0.05 1.37 -0.26 0.00 0.46 0.00 0.00 57.72 59.24 2jrh n HIS 88 Cb 0.64 -3.58 -0.17 0.00 -0.12 0.00 0.00 29.99 26.76 2jrh n HIS 88 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jrh s HIS 89 N -1.62 1.10 -0.06 1.57 3.76 -1.26 -5.04 115.29 113.75 2jrh s HIS 89 Ca 0.06 -0.67 -0.06 0.00 -0.15 0.00 0.00 55.06 54.24 2jrh s HIS 89 Cb -0.02 -1.03 -0.02 0.00 1.11 0.00 0.00 32.58 32.62 2jrh s HIS 89 CO 0.64 -0.51 -0.12 0.72 -0.85 0.00 0.00 174.74 174.62 2jrh n HIS 90 N 5.03 0.00 -4.00 1.40 8.25 -1.26 -5.07 115.22 119.57 2jrh n HIS 90 Ca -0.09 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.25 2jrh n HIS 90 Cb 0.48 -0.16 -0.12 0.00 1.12 0.00 0.00 29.99 31.31 2jrh n HIS 90 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jrh s HIS 91 N -1.66 0.35 0.19 4.41 2.46 -1.26 -5.17 115.29 114.61 2jrh s HIS 91 Ca -0.10 -0.36 -0.01 0.00 0.47 0.00 0.00 55.06 55.07 2jrh s HIS 91 Cb 0.01 -0.22 -0.04 0.00 -0.13 0.00 0.00 32.58 32.20 2jrh s HIS 91 CO 0.14 -0.10 0.12 -3.38 -2.47 0.00 0.00 174.74 169.05 2jrh s HIS 92 N -0.97 1.12 0.00 3.88 -3.43 -1.26 -5.23 115.29 109.40 2jrh s HIS 92 Ca -0.09 -1.35 0.00 0.00 -0.80 0.00 0.00 55.06 52.82 2jrh s HIS 92 Cb -0.07 -0.56 0.00 0.00 -1.43 0.00 0.00 32.58 30.52 2jrh s HIS 92 CO -0.00 -0.61 0.00 1.58 -2.00 0.00 0.00 174.74 173.71