#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrh s SER 2 N 0.00 2.48 0.05 2.61 1.04 -1.26 -5.01 113.70 113.61 2jrh s SER 2 Ca 0.00 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2jrh s SER 2 Cb 0.00 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.92 2jrh s SER 2 CO 0.00 0.16 0.00 0.47 0.98 0.00 0.00 173.24 174.85 2jrh n ASP 3 N 1.82 -5.83 -4.56 7.02 9.92 -1.26 -4.92 116.55 118.75 2jrh n ASP 3 Ca -0.17 0.87 -0.43 0.00 -0.53 0.00 0.00 54.79 54.53 2jrh n ASP 3 Cb 0.53 -3.17 -0.04 0.00 -0.64 0.00 0.00 41.12 37.80 2jrh n ASP 3 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2jrh s VAL 4 N -0.30 4.54 -0.48 2.53 1.01 0.17 -4.84 120.40 123.03 2jrh s VAL 4 Ca 0.00 0.69 -0.24 0.00 0.00 0.00 0.00 61.98 62.43 2jrh s VAL 4 Cb 0.00 -4.39 0.03 0.00 0.00 0.00 0.00 36.38 32.02 2jrh s VAL 4 CO 0.00 -0.77 0.85 -0.13 0.00 0.00 0.00 175.10 175.06 2jrh s ARG 5 N 3.58 3.41 -0.16 2.72 0.52 -1.26 -1.20 118.95 126.55 2jrh s ARG 5 Ca 0.35 -0.10 -0.04 0.00 -0.52 0.00 0.00 55.73 55.42 2jrh s ARG 5 Cb -0.11 -3.97 -0.02 0.00 0.52 0.00 0.00 34.95 31.37 2jrh s ARG 5 CO 0.24 -1.24 -0.04 0.42 0.02 0.00 0.00 175.30 174.71 2jrh s ILE 6 N 3.55 3.80 -0.25 1.52 1.01 -0.73 -3.91 121.20 126.19 2jrh s ILE 6 Ca 0.31 -0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.48 2jrh s ILE 6 Cb -0.12 -2.67 -0.05 0.00 0.01 0.00 0.00 42.46 39.63 2jrh s ILE 6 CO 0.22 0.48 0.14 -0.54 0.00 0.00 0.00 174.94 175.25 2jrh s LYS 7 N 0.53 3.96 -0.05 2.79 3.01 -1.08 -2.83 119.74 126.08 2jrh s LYS 7 Ca -0.03 -0.32 0.04 0.00 -1.01 0.00 0.00 55.97 54.65 2jrh s LYS 7 Cb -0.14 -3.50 -0.02 0.00 -1.01 0.00 0.00 37.83 33.15 2jrh s LYS 7 CO 0.03 -0.02 -0.16 -0.06 0.51 0.00 0.00 175.35 175.65 2jrh s PHE 8 N 1.26 2.65 -0.11 3.18 0.40 -0.82 -3.04 117.98 121.49 2jrh s PHE 8 Ca 0.07 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.21 2jrh s PHE 8 Cb -0.14 -1.61 0.01 0.00 0.51 0.00 0.00 43.02 41.79 2jrh s PHE 8 CO 0.06 0.15 -0.17 -1.21 0.70 0.00 0.00 175.22 174.75 2jrh s GLU 9 N -0.70 2.37 -0.04 0.44 2.02 -1.14 0.47 118.70 122.11 2jrh s GLU 9 Ca 0.11 -0.62 -0.01 0.00 0.02 0.00 0.00 54.97 54.47 2jrh s GLU 9 Cb -0.11 -1.99 0.03 0.00 0.10 0.00 0.00 34.13 32.17 2jrh s GLU 9 CO 0.00 -0.05 0.02 -1.58 0.02 0.00 0.00 175.26 173.68 2jrh s HIS 10 N 0.94 0.28 -1.55 1.61 2.46 0.49 -3.28 115.29 116.24 2jrh s HIS 10 Ca -0.07 0.07 -0.02 0.00 0.47 0.00 0.00 55.06 55.50 2jrh s HIS 10 Cb -0.15 -0.51 0.01 0.00 -0.13 0.00 0.00 32.58 31.80 2jrh s HIS 10 CO -0.01 -0.19 0.23 -1.71 -2.47 0.00 0.00 174.74 170.58 2jrh n ASN 11 N 4.79 -5.48 0.00 9.88 2.85 -1.26 -1.93 115.26 124.12 2jrh n ASN 11 Ca -0.14 -0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.24 2jrh n ASN 11 Cb 0.50 -4.52 0.00 0.00 1.24 0.00 0.00 39.78 37.00 2jrh n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jrh n GLY 12 N -1.15 2.52 3.77 8.20 0.00 -1.26 -5.02 105.19 112.24 2jrh n GLY 12 Ca -0.17 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 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 3.02 0.14 1.61 8.01 -0.81 -5.01 118.70 125.66 2jrh s GLU 13 Ca 0.00 1.55 0.09 0.00 0.01 0.00 0.00 54.97 56.63 2jrh s GLU 13 Cb 0.00 -1.97 -0.04 0.00 -4.31 0.00 0.00 34.13 27.81 2jrh s GLU 13 CO 0.00 -1.10 -0.17 -0.98 0.01 0.00 0.00 175.26 173.02 2jrh s ARG 14 N -3.65 1.83 -0.08 1.61 3.03 -1.26 -0.38 118.95 120.05 2jrh s ARG 14 Ca 0.71 -1.23 0.02 0.00 2.03 0.00 0.00 55.73 57.25 2jrh s ARG 14 Cb -0.23 -2.10 0.02 0.00 -1.03 0.00 0.00 34.95 31.60 2jrh s ARG 14 CO 0.34 0.46 -0.12 1.03 -1.13 0.00 0.00 175.30 175.89 2jrh s ARG 15 N -2.35 1.72 -0.32 3.89 0.52 0.18 -4.98 118.95 117.61 2jrh s ARG 15 Ca 0.20 -0.40 -0.14 0.00 -0.52 0.00 0.00 55.73 54.87 2jrh s ARG 15 Cb -0.10 -1.49 -0.03 0.00 0.52 0.00 0.00 34.95 33.85 2jrh s ARG 15 CO 0.11 -0.04 0.30 0.42 0.02 0.00 0.00 175.30 176.11 2jrh s ILE 16 N 0.91 5.23 -0.04 1.52 1.01 -1.26 -1.95 121.20 126.61 2jrh s ILE 16 Ca -0.10 0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.67 2jrh s ILE 16 Cb -0.15 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.61 2jrh s ILE 16 CO 0.01 0.04 -0.10 -0.63 0.00 0.00 0.00 174.94 174.26 2jrh s ILE 17 N 1.90 0.88 -0.11 2.92 -1.09 -1.13 -5.06 121.20 119.52 2jrh s ILE 17 Ca 0.10 -0.38 -0.02 0.00 -2.23 0.00 0.00 60.65 58.11 2jrh s ILE 17 Cb -0.17 -0.80 -0.03 0.00 -1.58 0.00 0.00 42.46 39.88 2jrh s ILE 17 CO 0.11 0.28 -0.01 0.00 -1.23 0.00 0.00 174.94 174.09 2jrh s ALA 18 N 0.40 3.21 -0.12 9.38 0.00 -1.26 -1.78 121.76 131.59 2jrh s ALA 18 Ca -0.07 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.11 2jrh s ALA 18 Cb -0.12 -1.51 0.01 0.00 0.00 0.00 0.00 23.12 21.50 2jrh s ALA 18 CO 0.01 0.47 -0.21 -0.06 0.00 0.00 0.00 175.76 175.97 2jrh s PHE 19 N -0.49 2.47 0.39 0.00 0.08 -0.34 -4.94 117.98 115.15 2jrh s PHE 19 Ca 0.08 -1.15 -0.18 0.00 0.12 0.00 0.00 56.93 55.80 2jrh s PHE 19 Cb -0.12 -1.68 -0.10 0.00 -0.57 0.00 0.00 43.02 40.55 2jrh s PHE 19 CO 0.02 -0.51 0.86 -1.54 -0.10 0.00 0.00 175.22 173.95 2jrh s SER 20 N 0.68 6.86 0.16 1.36 1.04 -1.26 0.42 113.70 122.97 2jrh s SER 20 Ca -0.11 1.52 -0.19 0.00 0.48 0.00 0.00 55.95 57.65 2jrh s SER 20 Cb -0.16 -2.47 -0.07 0.00 0.10 0.00 0.00 66.02 63.41 2jrh s SER 20 CO 0.02 -0.30 0.64 -0.13 0.98 0.00 0.00 173.24 174.45 2jrh s ARG 21 N -3.13 4.20 0.76 4.02 0.52 -1.26 -4.00 118.95 120.06 2jrh s ARG 21 Ca 0.59 0.76 -0.12 0.00 -0.52 0.00 0.00 55.73 56.44 2jrh s ARG 21 Cb -0.09 -3.02 0.05 0.00 0.52 0.00 0.00 34.95 32.41 2jrh s ARG 21 CO 0.15 0.49 1.12 -1.25 0.02 0.00 0.00 175.30 175.84 2jrh s PRO 22 N -1.68 2.36 -0.09 3.54 0.04 -1.26 -5.07 135.00 132.84 2jrh s PRO 22 Ca 0.37 0.37 -0.08 0.00 0.04 0.00 0.00 61.00 61.70 2jrh s PRO 22 Cb -0.18 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.42 2jrh s PRO 22 CO 0.21 -1.37 0.25 0.54 0.04 0.00 0.00 177.00 176.66 2jrh s VAL 23 N -3.39 -0.00 0.27 -0.36 0.11 -1.26 -5.16 120.40 110.61 2jrh s VAL 23 Ca 0.60 0.01 0.10 0.00 -2.93 0.00 0.00 61.98 59.76 2jrh s VAL 23 Cb -0.12 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 2jrh s VAL 23 CO 0.51 0.00 -0.05 -0.54 -3.33 0.00 0.00 175.10 171.70 2jrh s LYS 24 N 0.19 2.15 0.27 1.54 1.02 -1.26 -5.03 119.74 118.61 2jrh s LYS 24 Ca -0.00 -1.49 -0.01 0.00 0.02 0.00 0.00 55.97 54.48 2jrh s LYS 24 Cb -0.02 -2.07 0.47 0.00 -0.52 0.00 0.00 37.83 35.69 2jrh s LYS 24 CO -0.00 0.36 1.84 -0.92 -0.92 0.00 0.00 175.35 175.71 2jrh h TYR 25 N 2.01 1.09 -0.68 3.18 3.20 -1.97 -1.53 116.97 122.27 2jrh h TYR 25 Ca -0.43 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.49 2jrh h TYR 25 Cb 1.25 -0.35 -0.04 0.00 1.54 0.00 0.00 36.73 39.13 2jrh h TYR 25 CO 0.71 0.48 0.43 1.49 -1.64 0.00 0.00 178.16 179.63 2jrh h GLU 26 N 1.00 0.83 -0.44 1.82 4.22 -1.98 0.29 114.58 120.33 2jrh h GLU 26 Ca 0.45 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.82 2jrh h GLU 26 Cb 0.37 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2jrh h GLU 26 CO -0.23 0.55 0.18 -0.44 -2.18 0.00 0.00 179.01 176.89 2jrh h ASP 27 N 0.86 0.60 -0.12 1.04 5.19 -1.71 0.38 116.42 122.66 2jrh h ASP 27 Ca 0.26 -0.16 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 2jrh h ASP 27 Cb -0.02 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.33 2jrh h ASP 27 CO -0.09 0.59 -0.04 0.58 -3.12 0.00 0.00 179.24 177.16 2jrh h VAL 28 N 0.56 1.31 -0.38 -1.35 2.07 -1.05 -2.61 116.25 114.80 2jrh h VAL 28 Ca 0.15 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 2jrh h VAL 28 Cb 0.17 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2jrh h VAL 28 CO -0.01 0.30 0.12 -0.08 0.02 0.00 0.00 177.57 177.91 2jrh h GLU 29 N -0.11 0.60 -0.72 1.57 4.81 -0.36 -1.39 114.58 118.98 2jrh h GLU 29 Ca 0.03 -0.13 0.07 0.00 -0.13 0.00 0.00 59.36 59.20 2jrh h GLU 29 Cb 0.49 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.72 2jrh h GLU 29 CO 0.01 0.60 0.41 1.25 -0.73 0.00 0.00 179.01 180.56 2jrh h HIS 30 N 0.47 0.75 -0.03 0.92 2.76 -0.27 0.56 115.15 120.32 2jrh h HIS 30 Ca 0.12 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 2jrh h HIS 30 Cb 0.26 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 28.99 2jrh h HIS 30 CO 0.01 0.35 -0.02 -0.22 -1.30 0.00 0.00 177.93 176.74 2jrh h LYS 31 N 0.74 0.06 -0.42 5.26 3.64 -1.33 -2.52 116.57 122.00 2jrh h LYS 31 Ca 0.33 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 2jrh h LYS 31 Cb 0.22 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2jrh h LYS 31 CO -0.20 0.51 0.17 0.28 -2.27 0.00 0.00 179.45 177.95 2jrh h VAL 32 N -0.38 1.20 -0.96 2.00 2.07 -0.99 -1.21 116.25 117.98 2jrh h VAL 32 Ca 0.01 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 66.97 2jrh h VAL 32 Cb 0.50 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 2jrh h VAL 32 CO 0.01 0.22 0.63 0.74 0.02 0.00 0.00 177.57 179.18 2jrh h THR 33 N 0.53 1.15 -0.21 2.57 2.02 0.07 -2.15 112.91 116.89 2jrh h THR 33 Ca 0.14 -0.41 -0.19 0.00 0.77 0.00 0.00 66.41 66.73 2jrh h THR 33 Cb 0.18 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 2jrh h THR 33 CO -0.01 0.22 -0.60 0.74 0.37 0.00 0.00 175.52 176.23 2jrh h THR 34 N 1.18 1.29 0.00 3.16 2.02 -1.20 0.76 112.91 120.12 2jrh h THR 34 Ca 0.39 -1.81 0.02 0.00 0.77 0.00 0.00 66.41 65.78 2jrh h THR 34 Cb 0.05 1.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 2jrh h THR 34 CO -0.13 0.58 -0.13 0.58 0.37 0.00 0.00 175.52 176.79 2jrh h VAL 35 N 0.52 0.69 0.00 3.16 2.07 -0.76 -3.17 116.25 118.76 2jrh h VAL 35 Ca -0.02 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.29 2jrh h VAL 35 Cb 1.22 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 2jrh h VAL 35 CO 0.13 0.00 -1.54 0.49 0.02 0.00 0.00 177.57 176.67 2jrh n PHE 36 N -5.26 0.97 0.00 1.57 3.72 -0.85 -5.09 117.46 112.53 2jrh n PHE 36 Ca -0.05 0.34 0.00 0.00 -0.05 0.00 0.00 57.45 57.68 2jrh n PHE 36 Cb 0.18 -1.12 0.00 0.00 -0.94 0.00 0.00 39.48 37.59 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 1.46 -1.62 3.16 1.37 0.00 0.26 -5.05 105.19 104.78 2jrh n GLY 37 Ca -0.13 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 43.76 2jrh n GLY 37 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jrh s GLN 38 N 0.00 0.73 -0.04 1.61 -0.21 -1.26 -4.24 119.66 116.25 2jrh s GLN 38 Ca 0.00 -0.94 -0.22 0.00 0.02 0.00 0.00 55.36 54.22 2jrh s GLN 38 Cb 0.00 0.29 -0.04 0.00 1.00 0.00 0.00 33.01 34.25 2jrh s GLN 38 CO 0.00 -0.20 0.66 -1.25 -2.12 0.00 0.00 175.29 172.37 2jrh s PRO 39 N -3.50 4.40 0.03 2.91 0.04 -1.26 -5.11 135.00 132.52 2jrh s PRO 39 Ca 0.02 0.82 0.02 0.00 0.04 0.00 0.00 61.00 61.90 2jrh s PRO 39 Cb 0.04 -3.41 -0.02 0.00 0.04 0.00 0.00 34.50 31.15 2jrh s PRO 39 CO -0.09 0.18 -0.06 -0.51 0.04 0.00 0.00 177.00 176.55 2jrh s LEU 40 N 0.43 2.20 -0.13 -3.56 1.43 -1.26 -3.71 118.68 114.09 2jrh s LEU 40 Ca 0.35 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 2jrh s LEU 40 Cb -0.18 -0.14 -0.01 0.00 0.03 0.00 0.00 46.19 45.89 2jrh s LEU 40 CO 0.18 -0.16 -0.14 -1.81 0.23 0.00 0.00 176.35 174.65 2jrh s ASP 41 N -1.22 3.94 -0.45 2.29 1.11 -1.06 -5.02 116.67 116.26 2jrh s ASP 41 Ca -0.08 -0.34 -0.24 0.00 0.18 0.00 0.00 52.55 52.07 2jrh s ASP 41 Cb -0.08 -1.58 0.03 0.00 1.07 0.00 0.00 42.92 42.35 2jrh s ASP 41 CO 0.00 0.17 0.81 -0.76 1.18 0.00 0.00 175.17 176.57 2jrh s LEU 42 N 0.33 4.21 -0.21 1.23 1.43 -1.26 -3.05 118.68 121.35 2jrh s LEU 42 Ca -0.11 -0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 2jrh s LEU 42 Cb -0.16 -3.01 0.01 0.00 0.03 0.00 0.00 46.19 43.06 2jrh s LEU 42 CO 0.06 -0.94 -0.11 -2.28 0.23 0.00 0.00 176.35 173.31 2jrh s HIS 43 N 3.38 2.90 -0.18 0.29 2.46 -0.93 -3.67 115.29 119.53 2jrh s HIS 43 Ca 0.31 -1.28 -0.11 0.00 0.47 0.00 0.00 55.06 54.45 2jrh s HIS 43 Cb -0.12 -2.03 -0.05 0.00 -0.13 0.00 0.00 32.58 30.26 2jrh s HIS 43 CO 0.23 -0.67 0.19 -0.47 -2.47 0.00 0.00 174.74 171.55 2jrh s TYR 44 N 1.39 3.44 -0.18 3.88 6.14 -0.42 -0.79 117.35 130.81 2jrh s TYR 44 Ca 0.05 0.44 -0.08 0.00 0.64 0.00 0.00 57.07 58.11 2jrh s TYR 44 Cb -0.14 -2.22 -0.04 0.00 0.42 0.00 0.00 41.96 39.98 2jrh s TYR 44 CO -0.07 0.29 0.09 0.00 0.64 0.00 0.00 175.55 176.50 2jrh s MET 45 N 0.34 4.00 0.05 4.97 0.23 -1.19 0.22 119.30 127.91 2jrh s MET 45 Ca 0.11 -0.28 -0.15 0.00 -1.03 0.00 0.00 55.69 54.35 2jrh s MET 45 Cb -0.12 -3.29 -0.30 0.00 -1.53 0.00 0.00 34.83 29.60 2jrh s MET 45 CO 0.00 0.34 1.09 -2.95 -2.03 0.00 0.00 175.02 171.47 2jrh h ASN 46 N 6.51 0.88 0.00 -1.18 -1.07 -1.79 -3.45 115.58 115.48 2jrh h ASN 46 Ca -0.40 -0.83 0.00 0.00 0.07 0.00 0.00 56.30 55.13 2jrh h ASN 46 Cb 1.16 -0.28 0.00 0.00 -2.07 0.00 0.00 38.32 37.14 2jrh h ASN 46 CO 0.72 1.62 0.00 -3.20 0.07 0.00 0.00 177.43 176.64 2jrh n ASN 47 N -3.80 -0.56 -0.05 6.14 2.85 -1.26 -5.00 115.26 113.59 2jrh n ASN 47 Ca -0.14 0.28 -0.07 0.00 -0.11 0.00 0.00 54.58 54.54 2jrh n ASN 47 Cb 0.99 0.75 -0.04 0.00 1.24 0.00 0.00 39.78 42.72 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 -2.59 0.23 -3.42 1.20 1.02 -1.26 -5.06 120.64 110.76 2jrh n GLU 48 Ca 0.00 0.06 -0.19 0.00 -0.02 0.00 0.00 57.16 57.01 2jrh n GLU 48 Cb 0.00 -1.15 -0.00 0.00 -0.02 0.00 0.00 31.44 30.26 2jrh n GLU 48 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2jrh s LEU 49 N -5.65 3.91 -0.15 -4.62 2.01 -1.26 -5.12 118.68 107.79 2jrh s LEU 49 Ca -0.13 -0.24 0.01 0.00 0.01 0.00 0.00 54.13 53.79 2jrh s LEU 49 Cb 0.03 -2.71 0.02 0.00 0.01 0.00 0.00 46.19 43.54 2jrh s LEU 49 CO 0.21 -0.48 -0.19 -0.44 1.01 0.00 0.00 176.35 176.46 2jrh s SER 50 N -4.19 2.98 -0.12 2.29 0.01 -1.26 -2.28 113.70 111.13 2jrh s SER 50 Ca 0.46 -0.58 0.01 0.00 1.31 0.00 0.00 55.95 57.14 2jrh s SER 50 Cb -0.09 -1.38 -0.02 0.00 0.21 0.00 0.00 66.02 64.74 2jrh s SER 50 CO 0.31 0.02 -0.13 0.27 0.41 0.00 0.00 173.24 174.12 2jrh s ILE 51 N 1.13 3.04 0.06 1.44 -4.36 0.13 -4.92 121.20 117.74 2jrh s ILE 51 Ca -0.00 -0.68 -0.26 0.00 -0.26 0.00 0.00 60.65 59.46 2jrh s ILE 51 Cb -0.14 -2.26 -0.06 0.00 1.25 0.00 0.00 42.46 41.25 2jrh s ILE 51 CO -0.08 0.54 0.79 -0.22 0.24 0.00 0.00 174.94 176.21 2jrh s LEU 52 N 0.15 4.47 -0.94 0.37 0.20 -1.26 -1.30 118.68 120.37 2jrh s LEU 52 Ca -0.07 1.51 -0.13 0.00 0.69 0.00 0.00 54.13 56.13 2jrh s LEU 52 Cb -0.15 -3.28 0.23 0.00 -0.43 0.00 0.00 46.19 42.56 2jrh s LEU 52 CO 0.05 0.02 0.94 -0.76 -0.29 0.00 0.00 176.35 176.31 2jrh s LEU 53 N -0.15 6.39 -0.33 -0.68 2.01 -1.24 -4.85 118.68 119.83 2jrh s LEU 53 Ca 0.39 -2.91 0.09 0.00 0.01 0.00 0.00 54.13 51.71 2jrh s LEU 53 Cb -0.21 -2.24 0.74 0.00 0.01 0.00 0.00 46.19 44.49 2jrh s LEU 53 CO 0.24 -0.55 1.81 1.17 1.01 0.00 0.00 176.35 180.03 2jrh n LYS 54 N 3.94 3.66 -3.49 1.70 4.81 -1.26 -4.80 118.16 122.71 2jrh n LYS 54 Ca 0.19 -3.03 -0.09 0.00 -0.87 0.00 0.00 58.31 54.51 2jrh n LYS 54 Cb 0.45 -2.21 -0.02 0.00 0.02 0.00 0.00 35.03 33.26 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 -0.98 -0.40 0.24 3.14 -0.87 -1.26 -5.01 114.94 109.79 2jrh s ASN 55 Ca 0.55 -0.00 -0.07 0.00 -1.57 0.00 0.00 52.86 51.76 2jrh s ASN 55 Cb 0.44 0.42 0.24 0.00 -0.02 0.00 0.00 41.25 42.32 2jrh s ASN 55 CO 0.13 -0.68 1.91 1.56 -2.57 0.00 0.00 177.10 177.46 2jrh h GLN 56 N 2.00 1.21 -0.33 -0.60 1.08 -1.99 -1.36 115.11 115.11 2jrh h GLN 56 Ca -0.24 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 56.88 2jrh h GLN 56 Cb 1.25 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 28.39 2jrh h GLN 56 CO 0.32 0.80 0.17 -0.44 -0.95 0.00 0.00 178.83 178.73 2jrh h ASP 57 N 1.25 0.42 -0.55 1.46 5.19 -1.98 -0.59 116.42 121.62 2jrh h ASP 57 Ca 0.34 -0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.65 2jrh h ASP 57 Cb -0.12 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.25 2jrh h ASP 57 CO -0.08 0.41 0.34 0.44 -3.12 0.00 0.00 179.24 177.23 2jrh h ASP 58 N 0.41 0.65 -0.58 6.45 3.32 -1.85 0.13 116.42 124.95 2jrh h ASP 58 Ca 0.12 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 2jrh h ASP 58 Cb 0.09 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 2jrh h ASP 58 CO -0.02 0.51 0.24 0.25 -1.72 0.00 0.00 179.24 178.50 2jrh h LEU 59 N 0.74 0.78 -0.74 1.55 5.85 -1.07 -2.53 115.31 119.89 2jrh h LEU 59 Ca 0.20 -0.16 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 2jrh h LEU 59 Cb -0.03 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 2jrh h LEU 59 CO -0.04 0.73 -0.41 -0.78 -0.34 0.00 0.00 178.44 177.60 2jrh h ASP 60 N 0.79 0.49 -0.57 1.25 1.82 -0.80 -3.00 116.42 116.41 2jrh h ASP 60 Ca 0.19 -0.22 -0.03 0.00 -0.39 0.00 0.00 57.03 56.59 2jrh h ASP 60 Cb 0.18 -0.14 -0.03 0.00 0.68 0.00 0.00 39.33 40.02 2jrh h ASP 60 CO -0.02 0.85 0.25 0.50 -1.61 0.00 0.00 179.24 179.22 2jrh h LYS 61 N 0.38 0.87 -0.56 0.28 3.64 -0.49 -2.27 116.57 118.42 2jrh h LYS 61 Ca 0.03 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.22 2jrh h LYS 61 Cb 0.89 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 2jrh h LYS 61 CO 0.08 0.70 0.07 0.00 -2.27 0.00 0.00 179.45 178.03 2jrh h ALA 62 N 1.42 1.08 -0.47 5.00 0.00 -1.32 -2.95 119.26 122.02 2jrh h ALA 62 Ca 0.21 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2jrh h ALA 62 Cb 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2jrh h ALA 62 CO -0.02 0.59 0.16 0.82 0.00 0.00 0.00 179.25 180.80 2jrh h ILE 63 N 0.85 1.22 -0.87 0.00 1.08 -1.36 -2.75 117.51 115.68 2jrh h ILE 63 Ca 0.17 -0.71 0.15 0.00 -0.39 0.00 0.00 64.86 64.08 2jrh h ILE 63 Cb 0.40 0.80 -0.07 0.00 -3.07 0.00 0.00 36.82 34.89 2jrh h ILE 63 CO 0.01 0.26 0.56 0.44 -0.69 0.00 0.00 178.15 178.73 2jrh h ASP 64 N 0.62 0.59 -0.58 1.72 3.32 -1.29 -0.14 116.42 120.65 2jrh h ASP 64 Ca 0.15 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 2jrh h ASP 64 Cb 0.24 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2jrh h ASP 64 CO -0.01 0.29 -0.05 0.40 -1.72 0.00 0.00 179.24 178.16 2jrh h ILE 65 N 0.62 1.27 -0.85 0.35 2.04 -1.44 -2.99 117.51 116.51 2jrh h ILE 65 Ca 0.44 -1.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 2jrh h ILE 65 Cb 0.78 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 2jrh h ILE 65 CO -0.19 0.43 0.41 0.25 0.00 0.00 0.00 178.15 179.05 2jrh h LEU 66 N 0.95 1.12 -1.57 1.44 5.85 -0.91 -2.50 115.31 119.68 2jrh h LEU 66 Ca 0.16 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.82 2jrh h LEU 66 Cb 0.61 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 2jrh h LEU 66 CO 0.04 0.94 0.40 0.44 -0.34 0.00 0.00 178.44 179.92 2jrh h ASP 67 N 1.22 0.45 -0.01 1.25 5.19 -1.24 -0.96 116.42 122.32 2jrh h ASP 67 Ca 0.29 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.60 2jrh h ASP 67 Cb 0.12 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 2jrh h ASP 67 CO -0.04 0.29 -0.31 -0.09 -3.12 0.00 0.00 179.24 175.97 2jrh h ARG 68 N 0.51 0.46 -6.13 3.56 9.65 -1.41 -3.39 114.38 117.64 2jrh h ARG 68 Ca 0.27 -0.19 -0.57 0.00 -1.10 0.00 0.00 59.98 58.39 2jrh h ARG 68 Cb 0.38 -0.02 -0.10 0.00 -1.39 0.00 0.00 29.97 28.84 2jrh h ARG 68 CO -0.08 0.72 1.05 0.45 2.80 0.00 0.00 179.97 184.91 2jrh s SER 69 N -6.83 6.24 0.36 -3.80 0.15 -0.36 -4.86 113.70 104.59 2jrh s SER 69 Ca -0.07 -0.76 0.06 0.00 0.70 0.00 0.00 55.95 55.88 2jrh s SER 69 Cb 0.13 -2.53 0.68 0.00 -1.71 0.00 0.00 66.02 62.59 2jrh s SER 69 CO 0.79 -1.69 1.90 0.77 1.20 0.00 0.00 173.24 176.21 2jrh h SER 70 N 9.88 0.42 -0.02 5.45 4.64 -1.80 -3.08 113.55 129.04 2jrh h SER 70 Ca -0.18 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 2jrh h SER 70 Cb 1.05 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2jrh h SER 70 CO 1.28 0.49 -0.04 0.77 -0.87 0.00 0.00 176.83 178.47 2jrh h SER 71 N 0.43 0.07 -4.03 4.97 4.64 -1.93 -3.44 113.55 114.26 2jrh h SER 71 Ca 0.09 -0.56 -0.51 0.00 -0.47 0.00 0.00 61.79 60.34 2jrh h SER 71 Cb 0.31 -0.02 0.08 0.00 -0.31 0.00 0.00 62.40 62.46 2jrh h SER 71 CO 0.01 0.61 0.50 -0.32 -0.87 0.00 0.00 176.83 176.76 2jrh s MET 72 N -3.99 3.53 0.00 4.77 0.00 -1.16 -4.94 119.30 117.51 2jrh s MET 72 Ca -0.16 1.83 0.00 0.00 0.00 0.00 0.00 55.69 57.36 2jrh s MET 72 Cb 0.02 -2.28 0.00 0.00 0.00 0.00 0.00 34.83 32.56 2jrh s MET 72 CO 0.69 -0.75 0.00 0.36 0.00 0.00 0.00 175.02 175.32 2jrh n LYS 73 N -0.78 0.00 -1.79 4.11 -0.00 -1.26 -4.87 118.16 113.56 2jrh n LYS 73 Ca 0.09 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.11 2jrh n LYS 73 Cb 0.48 -0.15 0.12 0.00 -0.00 0.00 0.00 35.03 35.48 2jrh n LYS 73 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2jrh s SER 74 N -4.69 3.99 -0.29 -5.58 0.01 -1.26 -5.01 113.70 100.87 2jrh s SER 74 Ca 0.00 0.77 -0.10 0.00 1.31 0.00 0.00 55.95 57.93 2jrh s SER 74 Cb 0.00 -1.22 -0.03 0.00 0.21 0.00 0.00 66.02 64.98 2jrh s SER 74 CO 0.00 -2.23 0.16 -0.76 0.41 0.00 0.00 173.24 170.82 2jrh s LEU 75 N -5.77 3.99 -1.08 2.44 2.01 -1.25 -4.98 118.68 114.05 2jrh s LEU 75 Ca 0.64 -0.24 -0.15 0.00 0.01 0.00 0.00 54.13 54.40 2jrh s LEU 75 Cb -0.11 -2.05 0.18 0.00 0.01 0.00 0.00 46.19 44.22 2jrh s LEU 75 CO 0.51 -0.11 1.23 -0.13 1.01 0.00 0.00 176.35 178.86 2jrh s ARG 76 N 1.69 3.92 -0.17 1.70 0.52 -1.26 -2.62 118.95 122.73 2jrh s ARG 76 Ca 0.06 -2.43 -0.04 0.00 -0.52 0.00 0.00 55.73 52.81 2jrh s ARG 76 Cb -0.16 -4.88 -0.03 0.00 0.52 0.00 0.00 34.95 30.40 2jrh s ARG 76 CO 0.08 -1.64 -0.03 0.42 0.02 0.00 0.00 175.30 174.14 2jrh s ILE 77 N 1.34 3.85 -0.18 1.52 1.01 -1.17 -3.20 121.20 124.36 2jrh s ILE 77 Ca 0.36 -0.37 -0.02 0.00 0.00 0.00 0.00 60.65 60.62 2jrh s ILE 77 Cb -0.05 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 2jrh s ILE 77 CO -0.05 0.48 -0.09 -1.48 0.00 0.00 0.00 174.94 173.80 2jrh s LEU 78 N 0.52 2.77 -0.12 2.97 2.34 0.03 -2.88 118.68 124.31 2jrh s LEU 78 Ca -0.03 -0.38 -0.00 0.00 0.06 0.00 0.00 54.13 53.77 2jrh s LEU 78 Cb -0.14 -1.67 -0.02 0.00 -0.56 0.00 0.00 46.19 43.80 2jrh s LEU 78 CO 0.03 0.05 -0.11 -1.48 -1.06 0.00 0.00 176.35 173.78 2jrh s LEU 79 N 1.03 2.84 0.14 1.48 0.05 -1.21 -2.20 118.68 120.82 2jrh s LEU 79 Ca -0.00 -0.26 0.11 0.00 0.05 0.00 0.00 54.13 54.02 2jrh s LEU 79 Cb -0.15 -1.64 -0.04 0.00 -2.05 0.00 0.00 46.19 42.31 2jrh s LEU 79 CO -0.01 0.19 -0.25 -0.76 -0.55 0.00 0.00 176.35 174.97 2jrh s LEU 80 N 0.18 2.35 0.05 1.48 1.02 -1.17 -4.69 118.68 117.90 2jrh s LEU 80 Ca -0.06 -0.77 -0.04 0.00 0.02 0.00 0.00 54.13 53.28 2jrh s LEU 80 Cb -0.15 -1.13 -0.05 0.00 0.02 0.00 0.00 46.19 44.88 2jrh s LEU 80 CO 0.04 0.14 0.26 -0.55 0.02 0.00 0.00 176.35 176.26 2jrh s SER 81 N -2.20 6.44 0.00 2.29 0.15 -1.26 -2.55 113.70 116.56 2jrh s SER 81 Ca 0.14 0.46 0.18 0.00 0.70 0.00 0.00 55.95 57.43 2jrh s SER 81 Cb -0.09 -2.04 0.63 0.00 -1.71 0.00 0.00 66.02 62.81 2jrh s SER 81 CO 0.07 0.19 1.47 0.00 1.20 0.00 0.00 173.24 176.17 2jrh n GLN 82 N 0.65 1.78 -2.91 5.44 10.64 -1.24 -4.73 117.38 127.01 2jrh n GLN 82 Ca -0.08 -1.18 -0.44 0.00 -1.83 0.00 0.00 57.00 53.48 2jrh n GLN 82 Cb 0.52 -1.37 -0.02 0.00 -0.86 0.00 0.00 30.24 28.51 2jrh n GLN 82 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2jrh s ASP 83 N -1.42 6.65 -0.07 2.61 1.01 -1.26 -4.70 116.67 119.49 2jrh s ASP 83 Ca 0.30 -2.07 -0.05 0.00 0.71 0.00 0.00 52.55 51.44 2jrh s ASP 83 Cb 0.16 -2.41 0.02 0.00 1.01 0.00 0.00 42.92 41.70 2jrh s ASP 83 CO 0.24 -1.07 0.10 0.54 0.21 0.00 0.00 175.17 175.19 2jrh n ARG 84 N 6.61 -3.44 -4.26 8.23 1.74 -1.26 -5.08 116.66 119.20 2jrh n ARG 84 Ca 0.25 2.69 -0.18 0.00 -0.77 0.00 0.00 57.85 59.85 2jrh n ARG 84 Cb 0.49 -3.70 -0.11 0.00 -1.02 0.00 0.00 32.46 28.12 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 -0.45 2.06 0.36 0.55 2.47 -1.26 -5.04 114.94 113.63 2jrh s ASN 85 Ca -0.12 -0.86 0.08 0.00 0.42 0.00 0.00 52.86 52.39 2jrh s ASN 85 Cb 0.01 -0.07 -0.05 0.00 -1.45 0.00 0.00 41.25 39.69 2jrh s ASN 85 CO 0.31 -0.17 0.13 -0.22 -3.72 0.00 0.00 177.10 173.43 2jrh s LEU 86 N -2.64 3.17 0.00 3.21 2.96 -1.26 -5.09 118.68 119.04 2jrh s LEU 86 Ca 0.11 -0.88 -0.05 0.00 -0.22 0.00 0.00 54.13 53.09 2jrh s LEU 86 Cb -0.04 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 2jrh s LEU 86 CO 0.03 -0.34 0.74 -0.33 -1.32 0.00 0.00 176.35 175.13 2jrh h GLU 87 N 1.57 -0.18 -0.33 1.98 5.08 -2.08 -3.47 114.58 117.15 2jrh h GLU 87 Ca -0.43 0.01 0.25 0.00 -1.00 0.00 0.00 59.36 58.19 2jrh h GLU 87 Cb 1.25 0.04 -0.23 0.00 0.50 0.00 0.00 28.75 30.31 2jrh h GLU 87 CO 0.65 -0.12 0.30 -3.38 -1.00 0.00 0.00 179.01 175.46 2jrh s HIS 88 N -2.76 -0.33 0.05 4.33 -3.43 -1.26 -5.18 115.29 106.70 2jrh s HIS 88 Ca -0.03 0.45 -0.11 0.00 -0.80 0.00 0.00 55.06 54.57 2jrh s HIS 88 Cb 0.00 0.15 0.01 0.00 -1.43 0.00 0.00 32.58 31.31 2jrh s HIS 88 CO 0.08 -0.17 0.24 -1.58 -2.00 0.00 0.00 174.74 171.31 2jrh s HIS 89 N 2.61 0.00 -1.73 0.38 2.46 -1.26 -4.89 115.29 112.86 2jrh s HIS 89 Ca -0.03 -0.23 -0.01 0.00 0.47 0.00 0.00 55.06 55.27 2jrh s HIS 89 Cb -0.06 0.02 0.00 0.00 -0.13 0.00 0.00 32.58 32.41 2jrh s HIS 89 CO -0.13 -0.48 0.10 0.72 -2.47 0.00 0.00 174.74 172.48 2jrh n HIS 90 N 0.50 -1.15 -3.26 3.88 8.25 -1.26 -4.94 115.22 117.25 2jrh n HIS 90 Ca -0.18 0.09 -0.23 0.00 -0.26 0.00 0.00 57.72 57.14 2jrh n HIS 90 Cb 0.60 -4.05 -0.08 0.00 1.12 0.00 0.00 29.99 27.58 2jrh n HIS 90 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jrh n HIS 91 N -4.10 -1.22 -4.80 4.41 -0.00 -1.26 -5.12 115.22 103.13 2jrh n HIS 91 Ca -0.22 -3.09 -0.25 0.00 -0.00 0.00 0.00 57.72 54.15 2jrh n HIS 91 Cb 0.68 0.31 -0.16 0.00 -0.00 0.00 0.00 29.99 30.82 2jrh n HIS 91 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jrh s HIS 92 N -0.09 1.60 0.00 1.57 0.09 -1.26 -5.15 115.29 112.05 2jrh s HIS 92 Ca 0.33 -0.40 0.00 0.00 -0.00 0.00 0.00 55.06 54.99 2jrh s HIS 92 Cb 0.07 -1.06 0.00 0.00 -0.00 0.00 0.00 32.58 31.58 2jrh s HIS 92 CO -0.17 -0.11 0.00 1.58 -0.00 0.00 0.00 174.74 176.04