#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 -7.18 -2.62 1.08 7.64 -1.26 -5.02 113.62 106.26 2jrh n SER 2 Ca 0.00 0.96 -0.06 0.00 1.01 0.00 0.00 58.87 60.79 2jrh n SER 2 Cb 0.00 -4.02 -0.05 0.00 -1.01 0.00 0.00 64.21 59.14 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 -4.02 -0.70 -4.43 6.43 8.00 -1.25 -4.94 116.55 115.64 2jrh n ASP 3 Ca -0.04 1.34 -0.35 0.00 0.71 0.00 0.00 54.79 56.45 2jrh n ASP 3 Cb 0.57 -5.15 -0.13 0.00 -0.02 0.00 0.00 41.12 36.40 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 -0.66 3.94 -0.52 2.53 1.01 -0.19 -4.94 120.40 121.57 2jrh s VAL 4 Ca -0.28 -0.31 -0.23 0.00 0.00 0.00 0.00 61.98 61.16 2jrh s VAL 4 Cb 0.02 -2.79 0.04 0.00 0.00 0.00 0.00 36.38 33.65 2jrh s VAL 4 CO 0.77 0.42 0.82 -0.60 0.00 0.00 0.00 175.10 176.51 2jrh s ARG 5 N 1.11 3.29 -0.21 2.72 3.52 -1.26 -2.26 118.95 125.87 2jrh s ARG 5 Ca 0.03 -0.40 -0.06 0.00 -0.13 0.00 0.00 55.73 55.17 2jrh s ARG 5 Cb -0.14 -4.04 -0.03 0.00 -1.56 0.00 0.00 34.95 29.18 2jrh s ARG 5 CO 0.01 -1.33 0.03 0.42 -0.81 0.00 0.00 175.30 173.62 2jrh s ILE 6 N 3.45 4.19 -0.31 4.11 1.01 -0.71 -2.37 121.20 130.58 2jrh s ILE 6 Ca 0.26 -0.23 -0.11 0.00 0.00 0.00 0.00 60.65 60.57 2jrh s ILE 6 Cb -0.14 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 2jrh s ILE 6 CO 0.18 0.41 0.19 -1.59 0.00 0.00 0.00 174.94 174.13 2jrh s LYS 7 N 1.01 3.58 -0.10 2.79 0.00 -0.50 -0.29 119.74 126.23 2jrh s LYS 7 Ca 0.03 -0.57 -0.04 0.00 0.00 0.00 0.00 55.97 55.39 2jrh s LYS 7 Cb -0.14 -3.67 -0.04 0.00 0.00 0.00 0.00 37.83 33.98 2jrh s LYS 7 CO 0.02 -0.35 0.05 -0.06 0.00 0.00 0.00 175.35 175.02 2jrh s PHE 8 N 1.70 3.33 -0.07 1.78 0.08 0.11 -2.29 117.98 122.62 2jrh s PHE 8 Ca 0.06 0.32 0.04 0.00 0.12 0.00 0.00 56.93 57.47 2jrh s PHE 8 Cb -0.17 -1.85 0.00 0.00 -0.57 0.00 0.00 43.02 40.43 2jrh s PHE 8 CO 0.09 0.57 -0.20 -1.21 -0.10 0.00 0.00 175.22 174.37 2jrh s GLU 9 N -0.93 2.36 -0.10 0.44 2.02 -1.07 -0.88 118.70 120.54 2jrh s GLU 9 Ca 0.14 -0.72 -0.03 0.00 0.02 0.00 0.00 54.97 54.38 2jrh s GLU 9 Cb -0.12 -1.90 0.05 0.00 0.10 0.00 0.00 34.13 32.27 2jrh s GLU 9 CO 0.03 0.20 0.13 -1.58 0.02 0.00 0.00 175.26 174.06 2jrh s HIS 10 N 0.25 -0.06 -1.50 1.61 5.65 0.13 -2.15 115.29 119.20 2jrh s HIS 10 Ca -0.12 0.31 -0.06 0.00 0.25 0.00 0.00 55.06 55.45 2jrh s HIS 10 Cb -0.15 -0.41 0.02 0.00 -1.18 0.00 0.00 32.58 30.86 2jrh s HIS 10 CO 0.05 -0.33 0.64 -1.71 -0.65 0.00 0.00 174.74 172.74 2jrh n ASN 11 N 5.31 -5.73 0.00 9.88 2.85 -1.26 -1.73 115.26 124.58 2jrh n ASN 11 Ca -0.05 -0.33 0.00 0.00 -0.11 0.00 0.00 54.58 54.09 2jrh n ASN 11 Cb 0.50 -4.63 0.00 0.00 1.24 0.00 0.00 39.78 36.88 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 -1.50 2.65 3.75 8.20 0.00 -1.26 -5.02 105.19 112.01 2jrh n GLY 12 Ca -0.09 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 4.25 -0.03 1.61 2.02 -0.70 -5.02 118.70 120.83 2jrh s GLU 13 Ca 0.00 2.33 0.06 0.00 0.02 0.00 0.00 54.97 57.38 2jrh s GLU 13 Cb 0.00 -3.09 -0.02 0.00 0.10 0.00 0.00 34.13 31.12 2jrh s GLU 13 CO 0.00 -0.42 -0.21 -0.98 0.02 0.00 0.00 175.26 173.68 2jrh s ARG 14 N -0.68 2.27 -0.12 1.61 3.03 -1.26 -0.70 118.95 123.11 2jrh s ARG 14 Ca 0.58 -0.83 -0.09 0.00 2.03 0.00 0.00 55.73 57.42 2jrh s ARG 14 Cb -0.42 -2.19 0.04 0.00 -1.03 0.00 0.00 34.95 31.34 2jrh s ARG 14 CO 0.46 0.59 0.30 1.03 -1.13 0.00 0.00 175.30 176.55 2jrh s ARG 15 N -0.69 0.32 -0.21 3.89 0.52 -0.06 -5.00 118.95 117.71 2jrh s ARG 15 Ca 0.11 0.49 -0.07 0.00 -0.52 0.00 0.00 55.73 55.73 2jrh s ARG 15 Cb -0.10 0.08 -0.03 0.00 0.52 0.00 0.00 34.95 35.41 2jrh s ARG 15 CO -0.00 -0.08 0.06 0.42 0.02 0.00 0.00 175.30 175.72 2jrh s ILE 16 N 0.57 4.51 -0.10 1.52 1.01 -1.26 0.09 121.20 127.54 2jrh s ILE 16 Ca -0.03 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.52 2jrh s ILE 16 Cb -0.05 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.34 2jrh s ILE 16 CO -0.03 0.40 -0.17 -0.63 0.00 0.00 0.00 174.94 174.51 2jrh s ILE 17 N 0.99 2.77 -0.11 2.92 -1.09 0.60 -4.96 121.20 122.33 2jrh s ILE 17 Ca 0.04 -0.79 -0.16 0.00 -2.23 0.00 0.00 60.65 57.51 2jrh s ILE 17 Cb -0.14 -2.11 -0.05 0.00 -1.58 0.00 0.00 42.46 38.58 2jrh s ILE 17 CO 0.03 0.55 0.41 0.00 -1.23 0.00 0.00 174.94 174.70 2jrh s ALA 18 N 0.02 3.56 0.05 9.38 0.00 -1.26 -1.73 121.76 131.77 2jrh s ALA 18 Ca -0.06 -0.27 0.06 0.00 0.00 0.00 0.00 51.96 51.69 2jrh s ALA 18 Cb -0.15 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.43 2jrh s ALA 18 CO 0.05 0.13 -0.17 -0.06 0.00 0.00 0.00 175.76 175.71 2jrh s PHE 19 N 0.22 1.45 0.06 0.00 0.08 -0.96 -4.98 117.98 113.85 2jrh s PHE 19 Ca 0.23 -0.37 -0.15 0.00 0.12 0.00 0.00 56.93 56.75 2jrh s PHE 19 Cb -0.15 -0.85 -0.06 0.00 -0.57 0.00 0.00 43.02 41.38 2jrh s PHE 19 CO 0.09 0.07 0.49 0.45 -0.10 0.00 0.00 175.22 176.22 2jrh s SER 20 N -1.24 6.87 -0.10 1.36 0.15 -1.26 -1.02 113.70 118.45 2jrh s SER 20 Ca 0.04 1.06 -0.09 0.00 0.70 0.00 0.00 55.95 57.65 2jrh s SER 20 Cb -0.08 -2.28 -0.05 0.00 -1.71 0.00 0.00 66.02 61.90 2jrh s SER 20 CO 0.02 0.24 0.21 -0.13 1.20 0.00 0.00 173.24 174.78 2jrh s ARG 21 N -1.39 3.66 0.42 5.44 0.52 -1.26 -2.87 118.95 123.47 2jrh s ARG 21 Ca 0.30 0.00 -0.23 0.00 -0.52 0.00 0.00 55.73 55.28 2jrh s ARG 21 Cb -0.17 -3.23 -0.09 0.00 0.52 0.00 0.00 34.95 31.98 2jrh s ARG 21 CO 0.17 0.69 1.05 -2.14 0.02 0.00 0.00 175.30 175.08 2jrh s PRO 22 N -0.84 4.08 -0.18 3.54 0.02 -1.26 -4.87 135.00 135.48 2jrh s PRO 22 Ca 0.17 1.48 -0.00 0.00 0.02 0.00 0.00 61.00 62.66 2jrh s PRO 22 Cb -0.13 -2.44 0.01 0.00 0.02 0.00 0.00 34.50 31.96 2jrh s PRO 22 CO 0.06 -0.21 -0.16 0.54 -0.33 0.00 0.00 177.00 176.90 2jrh s VAL 23 N -1.73 2.46 0.06 3.83 0.11 -1.14 -5.10 120.40 118.89 2jrh s VAL 23 Ca 0.60 -0.81 -0.30 0.00 -2.93 0.00 0.00 61.98 58.53 2jrh s VAL 23 Cb -0.21 -2.06 -0.05 0.00 -1.53 0.00 0.00 36.38 32.53 2jrh s VAL 23 CO 0.26 0.51 1.14 -0.54 -3.33 0.00 0.00 175.10 173.14 2jrh s LYS 24 N 1.24 4.48 0.38 1.54 3.01 -1.26 -4.93 119.74 124.21 2jrh s LYS 24 Ca 0.03 1.69 0.10 0.00 -1.01 0.00 0.00 55.97 56.78 2jrh s LYS 24 Cb -0.14 -3.36 0.88 0.00 -1.01 0.00 0.00 37.83 34.20 2jrh s LYS 24 CO -0.08 -0.18 1.92 -0.92 0.51 0.00 0.00 175.35 176.60 2jrh h TYR 25 N 6.62 0.67 -0.74 3.18 3.20 -1.99 -1.07 116.97 126.85 2jrh h TYR 25 Ca -0.42 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.47 2jrh h TYR 25 Cb 1.22 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 39.23 2jrh h TYR 25 CO 0.67 0.29 0.45 0.93 -1.64 0.00 0.00 178.16 178.86 2jrh h GLU 26 N 0.60 0.99 -0.35 1.82 5.08 -1.99 0.02 114.58 120.76 2jrh h GLU 26 Ca 0.37 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.56 2jrh h GLU 26 Cb 0.61 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2jrh h GLU 26 CO -0.14 0.70 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.00 2jrh h ASP 27 N 1.00 0.72 -0.26 1.42 3.32 -1.62 -0.47 116.42 120.53 2jrh h ASP 27 Ca 0.26 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 2jrh h ASP 27 Cb -0.05 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2jrh h ASP 27 CO -0.05 0.94 0.14 0.58 -1.72 0.00 0.00 179.24 179.13 2jrh h VAL 28 N 0.49 1.13 -0.50 -1.35 2.07 -1.09 -2.13 116.25 114.87 2jrh h VAL 28 Ca 0.08 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 2jrh h VAL 28 Cb 0.65 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2jrh h VAL 28 CO 0.04 0.13 0.04 1.05 0.02 0.00 0.00 177.57 178.86 2jrh h GLU 29 N 0.30 0.86 -0.80 1.57 4.11 -0.98 -1.79 114.58 117.85 2jrh h GLU 29 Ca 0.09 -0.25 0.07 0.00 0.07 0.00 0.00 59.36 59.34 2jrh h GLU 29 Cb 0.09 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 2jrh h GLU 29 CO -0.01 0.87 0.48 0.45 0.07 0.00 0.00 179.01 180.86 2jrh h HIS 30 N 0.72 0.87 -0.03 2.06 3.86 -0.91 0.52 115.15 122.25 2jrh h HIS 30 Ca 0.15 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 2jrh h HIS 30 Cb 0.46 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 2jrh h HIS 30 CO 0.03 0.41 -0.04 -0.22 0.86 0.00 0.00 177.93 178.98 2jrh h LYS 31 N 0.85 0.08 -0.75 2.45 3.64 -1.25 -2.84 116.57 118.75 2jrh h LYS 31 Ca 0.36 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.66 2jrh h LYS 31 Cb 0.23 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 2jrh h LYS 31 CO -0.20 0.57 0.30 0.28 -2.27 0.00 0.00 179.45 178.13 2jrh h VAL 32 N -0.41 1.25 -0.77 2.00 2.07 -1.03 -1.52 116.25 117.85 2jrh h VAL 32 Ca 0.00 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.77 2jrh h VAL 32 Cb 0.56 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 2jrh h VAL 32 CO 0.01 0.32 0.49 0.74 0.02 0.00 0.00 177.57 179.15 2jrh h THR 33 N 1.08 1.11 -0.12 2.57 2.02 0.00 -0.12 112.91 119.45 2jrh h THR 33 Ca 0.25 -0.32 -0.17 0.00 0.77 0.00 0.00 66.41 66.94 2jrh h THR 33 Cb 0.21 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 2jrh h THR 33 CO -0.02 0.17 -0.64 0.74 0.37 0.00 0.00 175.52 176.14 2jrh h THR 34 N 0.95 1.35 0.04 3.16 2.02 -1.26 0.60 112.91 119.78 2jrh h THR 34 Ca 0.31 -1.97 -0.00 0.00 0.77 0.00 0.00 66.41 65.52 2jrh h THR 34 Cb 0.02 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2jrh h THR 34 CO -0.12 0.60 -0.02 0.58 0.37 0.00 0.00 175.52 176.93 2jrh h VAL 35 N 0.33 1.21 -0.59 3.16 2.07 -0.76 -3.29 116.25 118.39 2jrh h VAL 35 Ca -0.01 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2jrh h VAL 35 Cb 1.19 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2jrh h VAL 35 CO 0.11 0.22 0.00 0.49 0.02 0.00 0.00 177.57 178.41 2jrh n PHE 36 N -4.94 0.88 -0.77 1.57 3.72 -0.10 -5.09 117.46 112.74 2jrh n PHE 36 Ca -0.08 -0.53 0.10 0.00 -0.05 0.00 0.00 57.45 56.89 2jrh n PHE 36 Cb 0.21 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.67 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 1.16 -2.15 3.30 1.37 0.00 0.21 -5.00 105.19 104.08 2jrh n GLY 37 Ca 0.21 -1.30 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.43 1.18 0.36 1.61 -2.07 -1.23 -4.45 119.66 112.64 2jrh s GLN 38 Ca 0.00 -1.47 -0.10 0.00 -1.82 0.00 0.00 55.36 51.97 2jrh s GLN 38 Cb 0.00 -0.93 -0.07 0.00 -1.09 0.00 0.00 33.01 30.92 2jrh s GLN 38 CO 0.00 0.15 0.71 -1.25 -1.32 0.00 0.00 175.29 173.58 2jrh s PRO 39 N -3.46 3.78 0.05 9.60 0.04 -1.26 -4.86 135.00 138.88 2jrh s PRO 39 Ca 0.18 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.61 2jrh s PRO 39 Cb -0.01 -2.46 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 2jrh s PRO 39 CO 0.04 0.06 -0.04 -0.51 0.04 0.00 0.00 177.00 176.59 2jrh s LEU 40 N -3.63 2.39 -0.09 -3.56 1.43 -1.26 -4.26 118.68 109.70 2jrh s LEU 40 Ca 0.50 -0.79 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 2jrh s LEU 40 Cb -0.10 0.09 -0.02 0.00 0.03 0.00 0.00 46.19 46.18 2jrh s LEU 40 CO 0.29 -0.44 -0.14 1.51 0.23 0.00 0.00 176.35 177.79 2jrh s ASP 41 N -2.32 3.95 -0.56 2.29 -4.77 -1.23 -5.04 116.67 109.00 2jrh s ASP 41 Ca -0.02 -0.29 -0.21 0.00 -3.30 0.00 0.00 52.55 48.74 2jrh s ASP 41 Cb -0.00 -1.27 0.06 0.00 -1.09 0.00 0.00 42.92 40.62 2jrh s ASP 41 CO -0.05 0.24 0.77 -0.76 0.70 0.00 0.00 175.17 176.07 2jrh s LEU 42 N -0.10 4.73 -0.21 2.11 1.02 -1.26 -3.69 118.68 121.29 2jrh s LEU 42 Ca -0.02 -0.88 -0.04 0.00 0.02 0.00 0.00 54.13 53.21 2jrh s LEU 42 Cb -0.14 -2.51 -0.01 0.00 0.02 0.00 0.00 46.19 43.55 2jrh s LEU 42 CO 0.04 -1.10 -0.04 -2.28 0.02 0.00 0.00 176.35 172.99 2jrh s HIS 43 N 3.19 2.97 -0.08 0.29 2.46 -1.09 -4.20 115.29 118.83 2jrh s HIS 43 Ca 0.19 -0.77 0.03 0.00 0.47 0.00 0.00 55.06 54.98 2jrh s HIS 43 Cb -0.18 -2.08 0.01 0.00 -0.13 0.00 0.00 32.58 30.20 2jrh s HIS 43 CO 0.12 -0.43 -0.18 -0.47 -2.47 0.00 0.00 174.74 171.31 2jrh s TYR 44 N 1.25 2.00 -0.05 3.88 6.14 -1.22 0.11 117.35 129.45 2jrh s TYR 44 Ca 0.03 -0.77 0.03 0.00 0.64 0.00 0.00 57.07 57.00 2jrh s TYR 44 Cb -0.14 -1.38 0.00 0.00 0.42 0.00 0.00 41.96 40.86 2jrh s TYR 44 CO -0.01 -0.33 -0.15 0.00 0.64 0.00 0.00 175.55 175.70 2jrh s MET 45 N 0.45 1.72 0.04 4.97 0.23 -1.25 -1.28 119.30 124.17 2jrh s MET 45 Ca -0.16 -0.51 -0.28 0.00 -1.03 0.00 0.00 55.69 53.71 2jrh s MET 45 Cb -0.16 -1.46 -0.17 0.00 -1.53 0.00 0.00 34.83 31.51 2jrh s MET 45 CO 0.06 0.14 1.38 -0.91 -2.03 0.00 0.00 175.02 173.67 2jrh h ASN 46 N 6.55 -0.59 0.00 -1.18 2.35 -1.80 -3.46 115.58 117.46 2jrh h ASN 46 Ca -0.31 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 2jrh h ASN 46 Cb 1.18 0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.70 2jrh h ASN 46 CO 0.48 -0.29 0.00 -0.46 -1.65 0.00 0.00 177.43 175.51 2jrh n ASN 47 N -5.32 -1.55 0.00 5.81 0.23 -1.26 -4.96 115.26 108.21 2jrh n ASN 47 Ca -0.11 0.36 0.00 0.00 -0.53 0.00 0.00 54.58 54.29 2jrh n ASN 47 Cb 0.32 1.71 0.00 0.00 -2.08 0.00 0.00 39.78 39.72 2jrh n ASN 47 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2jrh n GLU 48 N -2.89 1.37 -4.48 -3.83 4.71 -1.26 -5.05 120.64 109.21 2jrh n GLU 48 Ca 0.00 -0.97 -0.20 0.00 -0.01 0.00 0.00 57.16 55.98 2jrh n GLU 48 Cb 0.00 -0.82 -0.15 0.00 -1.01 0.00 0.00 31.44 29.46 2jrh n GLU 48 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2jrh s LEU 49 N -0.50 1.95 -0.14 -4.62 1.43 -1.26 -5.14 118.68 110.40 2jrh s LEU 49 Ca 0.00 -0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 52.87 2jrh s LEU 49 Cb 0.00 -0.59 -0.03 0.00 0.03 0.00 0.00 46.19 45.61 2jrh s LEU 49 CO 0.00 0.12 -0.06 -0.94 0.23 0.00 0.00 176.35 175.70 2jrh s SER 50 N -0.12 4.61 -0.04 2.29 1.04 -1.26 -2.21 113.70 118.00 2jrh s SER 50 Ca 0.02 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.33 2jrh s SER 50 Cb -0.06 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.42 2jrh s SER 50 CO -0.00 0.20 -0.11 -0.63 0.98 0.00 0.00 173.24 173.68 2jrh s ILE 51 N 0.16 0.98 0.01 -1.02 1.01 -0.41 -5.00 121.20 116.94 2jrh s ILE 51 Ca -0.03 -0.46 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 2jrh s ILE 51 Cb -0.14 -0.87 -0.05 0.00 0.01 0.00 0.00 42.46 41.41 2jrh s ILE 51 CO 0.03 0.30 0.72 -0.22 0.00 0.00 0.00 174.94 175.78 2jrh s LEU 52 N 0.25 4.41 -0.50 2.97 2.96 -1.26 -3.45 118.68 124.07 2jrh s LEU 52 Ca -0.05 1.34 0.03 0.00 -0.22 0.00 0.00 54.13 55.23 2jrh s LEU 52 Cb -0.11 -3.15 0.14 0.00 0.50 0.00 0.00 46.19 43.58 2jrh s LEU 52 CO 0.01 -0.00 0.29 -0.76 -1.32 0.00 0.00 176.35 174.57 2jrh s LEU 53 N 0.13 3.36 -0.29 -0.68 1.02 -1.26 -4.92 118.68 116.03 2jrh s LEU 53 Ca 0.37 -2.93 0.10 0.00 0.02 0.00 0.00 54.13 51.69 2jrh s LEU 53 Cb -0.19 -1.25 0.57 0.00 0.02 0.00 0.00 46.19 45.33 2jrh s LEU 53 CO 0.21 -0.23 1.56 1.17 0.02 0.00 0.00 176.35 179.09 2jrh n LYS 54 N 3.16 2.38 -3.62 1.70 4.81 -1.26 -4.88 118.16 120.45 2jrh n LYS 54 Ca 0.10 -3.07 -0.14 0.00 -0.87 0.00 0.00 58.31 54.34 2jrh n LYS 54 Cb 0.35 -1.92 -0.06 0.00 0.02 0.00 0.00 35.03 33.41 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 -2.04 -0.37 0.40 3.14 0.01 -1.26 -5.04 114.94 109.79 2jrh s ASN 55 Ca 0.47 0.12 0.07 0.00 -0.71 0.00 0.00 52.86 52.81 2jrh s ASN 55 Cb 0.41 0.45 0.83 0.00 0.41 0.00 0.00 41.25 43.35 2jrh s ASN 55 CO 0.05 -0.67 2.04 -0.61 -1.51 0.00 0.00 177.10 176.40 2jrh h GLN 56 N 2.97 0.53 0.05 -0.60 5.75 -1.99 -2.25 115.11 119.56 2jrh h GLN 56 Ca -0.31 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.15 2jrh h GLN 56 Cb 1.20 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.64 2jrh h GLN 56 CO 0.42 0.38 -0.03 0.22 -2.65 0.00 0.00 178.83 177.16 2jrh h ASP 57 N 0.54 -0.09 -0.62 -0.69 3.58 -1.99 0.03 116.42 117.18 2jrh h ASP 57 Ca 0.14 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.58 2jrh h ASP 57 Cb -0.01 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.04 2jrh h ASP 57 CO -0.03 -0.06 0.32 -0.78 -2.88 0.00 0.00 179.24 175.82 2jrh h ASP 58 N -0.08 0.80 -0.88 2.28 1.82 -1.87 -2.38 116.42 116.10 2jrh h ASP 58 Ca -0.00 -0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.52 2jrh h ASP 58 Cb 0.08 -0.20 -0.04 0.00 0.68 0.00 0.00 39.33 39.84 2jrh h ASP 58 CO -0.00 0.69 0.53 0.25 -1.61 0.00 0.00 179.24 179.09 2jrh h LEU 59 N 0.85 1.06 -0.77 2.28 5.85 -1.19 -2.24 115.31 121.15 2jrh h LEU 59 Ca 0.22 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2jrh h LEU 59 Cb 0.09 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 2jrh h LEU 59 CO -0.03 0.82 0.42 -0.78 -0.34 0.00 0.00 178.44 178.53 2jrh h ASP 60 N 1.21 0.96 -0.48 1.25 3.58 -0.63 -2.40 116.42 119.91 2jrh h ASP 60 Ca 0.32 -0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.62 2jrh h ASP 60 Cb -0.04 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.74 2jrh h ASP 60 CO -0.06 0.78 0.14 0.11 -2.88 0.00 0.00 179.24 177.34 2jrh h LYS 61 N 1.06 0.82 -0.54 0.28 1.57 -1.00 -2.49 116.57 116.27 2jrh h LYS 61 Ca 0.27 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2jrh h LYS 61 Cb 0.04 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 2jrh h LYS 61 CO -0.04 0.73 0.19 0.00 -0.57 0.00 0.00 179.45 179.75 2jrh h ALA 62 N 1.37 1.32 -0.60 3.86 0.00 -0.92 -2.73 119.26 121.57 2jrh h ALA 62 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jrh h ALA 62 Cb 0.27 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2jrh h ALA 62 CO -0.00 0.50 0.39 0.82 0.00 0.00 0.00 179.25 180.95 2jrh h ILE 63 N 0.77 1.16 -0.91 0.00 2.04 -1.13 -2.41 117.51 117.03 2jrh h ILE 63 Ca 0.18 -0.30 0.12 0.00 1.00 0.00 0.00 64.86 65.86 2jrh h ILE 63 Cb 0.19 0.29 -0.08 0.00 -0.74 0.00 0.00 36.82 36.48 2jrh h ILE 63 CO -0.01 0.15 0.54 0.44 0.00 0.00 0.00 178.15 179.27 2jrh h ASP 64 N 0.81 0.77 -0.26 1.72 3.32 -1.42 0.94 116.42 122.31 2jrh h ASP 64 Ca 0.22 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 2jrh h ASP 64 Cb -0.08 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2jrh h ASP 64 CO -0.05 0.41 0.04 0.40 -1.72 0.00 0.00 179.24 178.32 2jrh h ILE 65 N 0.86 1.23 -0.76 0.35 2.04 -1.41 -2.76 117.51 117.05 2jrh h ILE 65 Ca 0.46 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 2jrh h ILE 65 Cb 0.47 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 2jrh h ILE 65 CO -0.28 0.25 0.31 -0.07 0.00 0.00 0.00 178.15 178.36 2jrh h LEU 66 N 0.24 1.04 -1.27 1.44 3.38 -0.89 -2.53 115.31 116.71 2jrh h LEU 66 Ca 0.08 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.95 2jrh h LEU 66 Cb 0.33 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2jrh h LEU 66 CO 0.00 0.92 0.52 0.44 0.09 0.00 0.00 178.44 180.42 2jrh h ASP 67 N 1.11 0.79 -0.39 -0.43 3.32 -0.71 -1.60 116.42 118.50 2jrh h ASP 67 Ca 0.26 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 2jrh h ASP 67 Cb 0.20 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2jrh h ASP 67 CO -0.02 0.52 0.16 0.03 -1.72 0.00 0.00 179.24 178.21 2jrh h ARG 68 N 0.90 0.64 -5.71 3.56 2.47 -1.16 -3.39 114.38 111.69 2jrh h ARG 68 Ca 0.33 -0.09 -0.62 0.00 -1.26 0.00 0.00 59.98 58.34 2jrh h ARG 68 Cb 0.16 -0.12 -0.13 0.00 -1.65 0.00 0.00 29.97 28.24 2jrh h ARG 68 CO -0.11 0.54 0.31 0.45 0.56 0.00 0.00 179.97 181.72 2jrh s SER 69 N -6.65 6.45 0.21 7.04 0.15 -0.60 -4.92 113.70 115.38 2jrh s SER 69 Ca -0.09 0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.65 2jrh s SER 69 Cb 0.16 -2.37 0.16 0.00 -1.71 0.00 0.00 66.02 62.26 2jrh s SER 69 CO 0.76 -0.79 1.51 0.28 1.20 0.00 0.00 173.24 176.19 2jrh h SER 70 N 8.73 0.36 0.17 5.45 0.02 -1.80 -3.21 113.55 123.26 2jrh h SER 70 Ca -0.25 -0.22 -0.22 0.00 -0.84 0.00 0.00 61.79 60.26 2jrh h SER 70 Cb 1.09 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 63.53 2jrh h SER 70 CO 0.92 0.91 -0.87 0.77 -1.14 0.00 0.00 176.83 177.42 2jrh h SER 71 N 0.22 0.66 -3.59 3.07 4.64 -1.93 -3.42 113.55 113.22 2jrh h SER 71 Ca -0.01 -0.49 -0.64 0.00 -0.47 0.00 0.00 61.79 60.18 2jrh h SER 71 Cb 1.19 -0.20 -0.14 0.00 -0.31 0.00 0.00 62.40 62.94 2jrh h SER 71 CO 0.11 1.27 0.20 -0.04 -0.87 0.00 0.00 176.83 177.50 2jrh s MET 72 N -3.46 3.48 -0.17 4.77 1.00 -1.21 -4.90 119.30 118.81 2jrh s MET 72 Ca -0.07 -0.12 0.15 0.00 0.00 0.00 0.00 55.69 55.65 2jrh s MET 72 Cb 0.09 -3.89 0.43 0.00 0.00 0.00 0.00 34.83 31.46 2jrh s MET 72 CO 0.88 -0.93 1.20 0.36 0.00 0.00 0.00 175.02 176.52 2jrh n LYS 73 N 6.31 1.50 -3.84 2.03 2.85 -1.26 -4.70 118.16 121.05 2jrh n LYS 73 Ca -0.00 -3.12 -0.11 0.00 -1.05 0.00 0.00 58.31 54.03 2jrh n LYS 73 Cb 0.48 -1.31 -0.09 0.00 -0.65 0.00 0.00 35.03 33.47 2jrh n LYS 73 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2jrh s SER 74 N -3.02 0.01 -0.30 -5.58 1.04 -1.26 -4.26 113.70 100.33 2jrh s SER 74 Ca 0.38 -0.30 -0.09 0.00 0.48 0.00 0.00 55.95 56.41 2jrh s SER 74 Cb 0.38 0.28 -0.02 0.00 0.10 0.00 0.00 66.02 66.76 2jrh s SER 74 CO -0.08 -0.52 0.14 -0.76 0.98 0.00 0.00 173.24 173.01 2jrh s LEU 75 N -1.91 4.00 -0.87 2.42 1.02 -1.00 -4.97 118.68 117.37 2jrh s LEU 75 Ca -0.07 -0.42 -0.19 0.00 0.02 0.00 0.00 54.13 53.47 2jrh s LEU 75 Cb -0.02 -2.00 0.13 0.00 0.02 0.00 0.00 46.19 44.31 2jrh s LEU 75 CO -0.02 -0.16 1.06 -0.60 0.02 0.00 0.00 176.35 176.65 2jrh s ARG 76 N 1.63 3.50 -0.21 1.70 3.52 -1.26 -1.41 118.95 126.42 2jrh s ARG 76 Ca 0.05 -1.65 -0.04 0.00 -0.13 0.00 0.00 55.73 53.96 2jrh s ARG 76 Cb -0.17 -4.77 -0.02 0.00 -1.56 0.00 0.00 34.95 28.44 2jrh s ARG 76 CO 0.06 -1.74 -0.02 0.42 -0.81 0.00 0.00 175.30 173.21 2jrh s ILE 77 N 2.73 3.65 -0.28 4.11 1.01 -0.97 -3.91 121.20 127.54 2jrh s ILE 77 Ca 0.29 -0.41 -0.08 0.00 0.00 0.00 0.00 60.65 60.45 2jrh s ILE 77 Cb -0.08 -2.65 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 2jrh s ILE 77 CO -0.06 0.43 0.10 -0.22 0.00 0.00 0.00 174.94 175.19 2jrh s LEU 78 N 1.20 3.75 -0.13 2.97 2.96 0.12 -2.58 118.68 126.97 2jrh s LEU 78 Ca 0.03 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2jrh s LEU 78 Cb -0.14 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 2jrh s LEU 78 CO 0.00 -0.12 -0.04 -1.48 -1.32 0.00 0.00 176.35 173.39 2jrh s LEU 79 N 1.60 3.24 0.19 -0.68 0.05 -0.92 -2.68 118.68 119.48 2jrh s LEU 79 Ca 0.05 -0.09 0.11 0.00 0.05 0.00 0.00 54.13 54.25 2jrh s LEU 79 Cb -0.16 -1.76 -0.04 0.00 -2.05 0.00 0.00 46.19 42.18 2jrh s LEU 79 CO 0.04 0.23 -0.19 -1.48 -0.55 0.00 0.00 176.35 174.41 2jrh s LEU 80 N -0.03 2.63 -0.11 1.48 0.05 -1.24 -4.38 118.68 117.07 2jrh s LEU 80 Ca 0.01 -0.78 -0.12 0.00 0.05 0.00 0.00 54.13 53.30 2jrh s LEU 80 Cb -0.13 -1.33 -0.05 0.00 -2.05 0.00 0.00 46.19 42.63 2jrh s LEU 80 CO 0.03 0.11 0.26 -0.44 -0.55 0.00 0.00 176.35 175.75 2jrh s SER 81 N -2.77 6.49 0.00 1.48 0.01 -1.26 -3.48 113.70 114.17 2jrh s SER 81 Ca 0.23 0.58 0.18 0.00 1.31 0.00 0.00 55.95 58.24 2jrh s SER 81 Cb -0.08 -2.15 0.66 0.00 0.21 0.00 0.00 66.02 64.65 2jrh s SER 81 CO 0.12 0.26 1.48 0.00 0.41 0.00 0.00 173.24 175.51 2jrh n GLN 82 N 2.65 1.69 -3.36 12.44 10.64 -1.26 -4.91 117.38 135.26 2jrh n GLN 82 Ca -0.15 -1.05 -0.19 0.00 -1.83 0.00 0.00 57.00 53.78 2jrh n GLN 82 Cb 0.53 -1.35 0.06 0.00 -0.86 0.00 0.00 30.24 28.62 2jrh n GLN 82 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2jrh n ASP 83 N 0.29 -5.46 -1.23 2.61 2.03 -1.26 -4.64 116.55 108.89 2jrh n ASP 83 Ca 0.15 -0.42 0.00 0.00 0.52 0.00 0.00 54.79 55.03 2jrh n ASP 83 Cb 0.30 -4.06 0.00 0.00 -0.72 0.00 0.00 41.12 36.64 2jrh n ASP 83 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2jrh n ARG 84 N -4.04 -3.30 -2.09 -0.67 1.74 -1.26 -4.72 116.66 102.32 2jrh n ARG 84 Ca 0.01 2.41 -0.29 0.00 -0.77 0.00 0.00 57.85 59.21 2jrh n ARG 84 Cb 0.55 -2.60 -0.05 0.00 -1.02 0.00 0.00 32.46 29.35 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 -1.34 5.27 -0.03 0.55 2.47 -1.26 -4.94 114.94 115.65 2jrh s ASN 85 Ca 0.00 -0.62 -0.30 0.00 0.42 0.00 0.00 52.86 52.36 2jrh s ASN 85 Cb 0.00 -2.56 -0.05 0.00 -1.45 0.00 0.00 41.25 37.20 2jrh s ASN 85 CO 0.00 -2.60 1.38 -0.22 -3.72 0.00 0.00 177.10 171.94 2jrh s LEU 86 N 9.55 4.29 0.33 3.21 1.98 -1.26 -4.99 118.68 131.80 2jrh s LEU 86 Ca 0.68 2.03 -0.29 0.00 -2.89 0.00 0.00 54.13 53.66 2jrh s LEU 86 Cb -0.07 -3.55 -0.10 0.00 0.66 0.00 0.00 46.19 43.12 2jrh s LEU 86 CO 0.01 -0.73 1.32 -1.61 -1.89 0.00 0.00 176.35 173.45 2jrh s GLU 87 N 2.67 4.35 -0.05 1.98 2.02 -1.26 -5.01 118.70 123.40 2jrh s GLU 87 Ca 0.63 2.22 -0.14 0.00 0.02 0.00 0.00 54.97 57.70 2jrh s GLU 87 Cb -0.29 -3.07 -0.05 0.00 0.10 0.00 0.00 34.13 30.81 2jrh s GLU 87 CO 0.25 -0.20 0.35 -1.01 0.02 0.00 0.00 175.26 174.67 2jrh s HIS 88 N -1.06 3.66 0.30 1.61 3.76 -1.26 -5.10 115.29 117.19 2jrh s HIS 88 Ca 0.50 0.86 -0.01 0.00 -0.15 0.00 0.00 55.06 56.25 2jrh s HIS 88 Cb -0.40 -2.26 0.06 0.00 1.11 0.00 0.00 32.58 31.09 2jrh s HIS 88 CO 0.52 0.57 0.41 1.58 -0.85 0.00 0.00 174.74 176.97 2jrh n HIS 89 N 2.22 -3.37 -3.76 1.40 -0.00 -1.26 -5.09 115.22 105.36 2jrh n HIS 89 Ca -0.14 -0.63 -0.34 0.00 0.46 0.00 0.00 57.72 57.07 2jrh n HIS 89 Cb 0.53 -0.30 -0.05 0.00 -0.12 0.00 0.00 29.99 30.04 2jrh n HIS 89 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jrh s HIS 90 N -1.25 3.57 0.00 1.57 2.46 -1.26 -4.64 115.29 115.73 2jrh s HIS 90 Ca 0.26 0.56 0.00 0.00 0.47 0.00 0.00 55.06 56.35 2jrh s HIS 90 Cb -0.01 -1.98 0.00 0.00 -0.13 0.00 0.00 32.58 30.45 2jrh s HIS 90 CO 0.17 0.60 0.00 1.58 -2.47 0.00 0.00 174.74 174.62 2jrh n HIS 91 N 1.01 0.00 -3.82 3.88 -0.00 -1.26 -4.73 115.22 110.31 2jrh n HIS 91 Ca -0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.56 2jrh n HIS 91 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.52 2jrh n HIS 91 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2jrh s HIS 92 N 0.00 -0.04 0.00 1.57 0.00 -1.26 -5.30 115.29 110.26 2jrh s HIS 92 Ca 0.00 -0.40 0.00 0.00 -3.00 0.00 0.00 55.06 51.66 2jrh s HIS 92 Cb 0.00 0.71 0.00 0.00 -4.00 0.00 0.00 32.58 29.29 2jrh s HIS 92 CO 0.00 -1.11 0.00 -2.39 -1.00 0.00 0.00 174.74 170.24