#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 0.07 -0.41 1.69 0.01 -1.26 -4.94 113.70 108.86 2jrh s SER 2 Ca 0.00 -1.05 -0.27 0.00 1.31 0.00 0.00 55.95 55.94 2jrh s SER 2 Cb 0.00 0.59 -0.05 0.00 0.21 0.00 0.00 66.02 66.78 2jrh s SER 2 CO 0.00 -1.16 2.17 1.51 0.41 0.00 0.00 173.24 176.16 2jrh s ASP 3 N -3.06 5.09 0.02 2.44 -4.77 -1.26 -3.93 116.67 111.20 2jrh s ASP 3 Ca 0.24 1.22 -0.30 0.00 -3.30 0.00 0.00 52.55 50.41 2jrh s ASP 3 Cb -0.00 -2.51 -0.04 0.00 -1.09 0.00 0.00 42.92 39.28 2jrh s ASP 3 CO 0.11 -2.35 1.04 -0.69 0.70 0.00 0.00 175.17 173.97 2jrh s VAL 4 N 9.74 4.65 -0.19 2.11 1.01 0.10 -4.69 120.40 133.13 2jrh s VAL 4 Ca 0.90 1.90 -0.22 0.00 0.00 0.00 0.00 61.98 64.57 2jrh s VAL 4 Cb -0.22 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 2jrh s VAL 4 CO 0.29 0.15 0.69 -0.13 0.00 0.00 0.00 175.10 176.10 2jrh s ARG 5 N 1.01 4.24 -0.15 2.72 0.52 -1.26 -0.26 118.95 125.76 2jrh s ARG 5 Ca 0.54 0.73 0.01 0.00 -0.52 0.00 0.00 55.73 56.49 2jrh s ARG 5 Cb -0.23 -3.58 0.01 0.00 0.52 0.00 0.00 34.95 31.67 2jrh s ARG 5 CO 0.28 -0.26 -0.18 0.42 0.02 0.00 0.00 175.30 175.58 2jrh s ILE 6 N 1.97 2.38 -0.25 1.52 1.01 0.22 -2.35 121.20 125.69 2jrh s ILE 6 Ca 0.32 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 59.95 2jrh s ILE 6 Cb -0.16 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 2jrh s ILE 6 CO 0.11 0.53 0.39 -0.54 0.00 0.00 0.00 174.94 175.43 2jrh s LYS 7 N 0.89 4.06 -0.12 2.79 1.02 -0.80 -2.53 119.74 125.04 2jrh s LYS 7 Ca -0.05 0.11 -0.00 0.00 0.02 0.00 0.00 55.97 56.05 2jrh s LYS 7 Cb -0.15 -3.63 -0.02 0.00 -0.52 0.00 0.00 37.83 33.51 2jrh s LYS 7 CO -0.02 -0.23 -0.11 -0.06 -0.92 0.00 0.00 175.35 174.00 2jrh s PHE 8 N 1.92 2.84 -0.12 3.18 0.08 -0.63 -2.73 117.98 122.52 2jrh s PHE 8 Ca 0.16 -0.50 0.03 0.00 0.12 0.00 0.00 56.93 56.75 2jrh s PHE 8 Cb -0.15 -1.83 0.00 0.00 -0.57 0.00 0.00 43.02 40.47 2jrh s PHE 8 CO 0.09 -0.11 -0.22 -1.21 -0.10 0.00 0.00 175.22 173.68 2jrh s GLU 9 N 0.16 3.08 -0.13 0.44 8.01 -1.10 -1.02 118.70 128.14 2jrh s GLU 9 Ca -0.06 -0.85 -0.01 0.00 0.01 0.00 0.00 54.97 54.07 2jrh s GLU 9 Cb -0.15 -2.40 0.04 0.00 -4.31 0.00 0.00 34.13 27.31 2jrh s GLU 9 CO 0.04 0.10 -0.04 -1.58 0.01 0.00 0.00 175.26 173.80 2jrh s HIS 10 N 0.54 1.37 -1.47 1.61 2.46 -0.71 -1.39 115.29 117.71 2jrh s HIS 10 Ca -0.13 -0.78 -0.03 0.00 0.47 0.00 0.00 55.06 54.60 2jrh s HIS 10 Cb -0.17 -1.16 0.01 0.00 -0.13 0.00 0.00 32.58 31.13 2jrh s HIS 10 CO 0.04 -0.53 0.25 0.09 -2.47 0.00 0.00 174.74 172.12 2jrh n ASN 11 N 4.97 -5.17 0.00 9.88 4.13 -1.26 -1.16 115.26 126.65 2jrh n ASN 11 Ca -0.11 -0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.06 2jrh n ASN 11 Cb 0.49 -4.27 0.00 0.00 -1.54 0.00 0.00 39.78 34.46 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 -1.13 3.00 3.76 7.41 0.00 -1.26 -5.04 105.19 111.92 2jrh n GLY 12 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.16 3.23 -0.03 1.61 0.41 -0.31 -5.03 118.70 118.43 2jrh s GLU 13 Ca 0.00 1.90 0.01 0.00 -0.41 0.00 0.00 54.97 56.47 2jrh s GLU 13 Cb 0.00 -2.14 -0.03 0.00 -1.78 0.00 0.00 34.13 30.18 2jrh s GLU 13 CO 0.00 -1.02 -0.03 -0.98 -0.49 0.00 0.00 175.26 172.74 2jrh s ARG 14 N -3.06 2.75 -0.03 1.61 1.70 -1.26 -1.73 118.95 118.94 2jrh s ARG 14 Ca 0.72 -0.59 -0.02 0.00 -0.47 0.00 0.00 55.73 55.37 2jrh s ARG 14 Cb -0.32 -2.63 0.01 0.00 -0.57 0.00 0.00 34.95 31.44 2jrh s ARG 14 CO 0.37 0.64 0.07 0.50 -1.08 0.00 0.00 175.30 175.80 2jrh s ARG 15 N -1.22 0.08 -0.11 3.89 3.52 -0.19 -5.01 118.95 119.91 2jrh s ARG 15 Ca 0.16 0.09 0.01 0.00 -0.13 0.00 0.00 55.73 55.87 2jrh s ARG 15 Cb -0.11 0.04 -0.01 0.00 -1.56 0.00 0.00 34.95 33.30 2jrh s ARG 15 CO 0.06 -0.01 -0.16 0.42 -0.81 0.00 0.00 175.30 174.80 2jrh s ILE 16 N 0.04 2.84 -0.09 4.11 1.09 -1.26 -1.60 121.20 126.33 2jrh s ILE 16 Ca -0.00 -0.75 -0.05 0.00 -1.10 0.00 0.00 60.65 58.75 2jrh s ILE 16 Cb -0.01 -2.16 0.04 0.00 -1.06 0.00 0.00 42.46 39.28 2jrh s ILE 16 CO 0.00 0.54 0.20 -0.51 -0.10 0.00 0.00 174.94 175.08 2jrh s ILE 17 N 0.16 -0.04 -0.20 2.92 -1.16 -1.05 -5.03 121.20 116.81 2jrh s ILE 17 Ca -0.09 0.14 -0.08 0.00 -0.51 0.00 0.00 60.65 60.12 2jrh s ILE 17 Cb -0.15 -0.32 -0.04 0.00 0.61 0.00 0.00 42.46 42.56 2jrh s ILE 17 CO 0.05 0.06 0.07 0.00 -2.81 0.00 0.00 174.94 172.31 2jrh s ALA 18 N 1.07 3.37 -0.21 1.50 0.00 -1.26 -0.61 121.76 125.63 2jrh s ALA 18 Ca -0.08 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 2jrh s ALA 18 Cb -0.10 -1.98 -0.00 0.00 0.00 0.00 0.00 23.12 21.04 2jrh s ALA 18 CO -0.06 0.02 -0.07 -0.06 0.00 0.00 0.00 175.76 175.59 2jrh s PHE 19 N 0.66 2.92 -0.06 0.00 0.08 0.64 -4.89 117.98 117.34 2jrh s PHE 19 Ca 0.04 -1.02 -0.27 0.00 0.12 0.00 0.00 56.93 55.79 2jrh s PHE 19 Cb -0.13 -2.06 -0.03 0.00 -0.57 0.00 0.00 43.02 40.23 2jrh s PHE 19 CO 0.02 -0.56 0.88 -1.12 -0.10 0.00 0.00 175.22 174.33 2jrh s SER 20 N 1.37 7.18 0.58 1.36 0.01 -1.26 0.00 113.70 122.95 2jrh s SER 20 Ca 0.05 1.44 -0.14 0.00 1.31 0.00 0.00 55.95 58.60 2jrh s SER 20 Cb -0.14 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.53 2jrh s SER 20 CO -0.04 -0.26 1.02 -0.13 0.41 0.00 0.00 173.24 174.24 2jrh s ARG 21 N 1.23 3.61 -0.03 12.44 0.52 -1.25 -3.98 118.95 131.48 2jrh s ARG 21 Ca 0.45 0.94 -0.30 0.00 -0.52 0.00 0.00 55.73 56.30 2jrh s ARG 21 Cb -0.19 -2.08 -0.04 0.00 0.52 0.00 0.00 34.95 33.16 2jrh s ARG 21 CO 0.22 -0.56 1.18 -1.25 0.02 0.00 0.00 175.30 174.91 2jrh s PRO 22 N -4.52 4.38 0.02 3.54 0.04 -1.26 -4.88 135.00 132.32 2jrh s PRO 22 Ca 0.58 1.66 -0.00 0.00 0.04 0.00 0.00 61.00 63.29 2jrh s PRO 22 Cb -0.12 -3.51 -0.04 0.00 0.04 0.00 0.00 34.50 30.87 2jrh s PRO 22 CO 0.42 -0.38 0.12 0.54 0.04 0.00 0.00 177.00 177.73 2jrh s VAL 23 N 1.93 4.90 0.03 -0.36 0.11 -1.26 -5.12 120.40 120.64 2jrh s VAL 23 Ca 0.56 -0.43 0.04 0.00 -2.93 0.00 0.00 61.98 59.21 2jrh s VAL 23 Cb -0.25 -3.29 -0.04 0.00 -1.53 0.00 0.00 36.38 31.27 2jrh s VAL 23 CO 0.23 0.27 -0.06 -0.54 -3.33 0.00 0.00 175.10 171.68 2jrh s LYS 24 N -2.00 2.50 0.26 1.54 3.01 -1.26 -5.02 119.74 118.77 2jrh s LYS 24 Ca 0.26 -0.78 -0.05 0.00 -1.01 0.00 0.00 55.97 54.40 2jrh s LYS 24 Cb -0.12 -2.49 0.32 0.00 -1.01 0.00 0.00 37.83 34.53 2jrh s LYS 24 CO 0.18 0.58 1.93 -0.92 0.51 0.00 0.00 175.35 177.63 2jrh h TYR 25 N 4.19 1.21 -0.56 3.18 3.20 -1.98 -1.52 116.97 124.68 2jrh h TYR 25 Ca -0.48 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.40 2jrh h TYR 25 Cb 1.17 -0.41 -0.03 0.00 1.54 0.00 0.00 36.73 39.00 2jrh h TYR 25 CO 0.59 0.75 0.31 1.49 -1.64 0.00 0.00 178.16 179.65 2jrh h GLU 26 N 1.29 0.78 -0.39 1.82 4.22 -1.98 0.18 114.58 120.50 2jrh h GLU 26 Ca 0.36 -0.09 -0.04 0.00 0.08 0.00 0.00 59.36 59.67 2jrh h GLU 26 Cb -0.11 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 2jrh h GLU 26 CO -0.09 0.60 0.08 0.22 -2.18 0.00 0.00 179.01 177.64 2jrh h ASP 27 N 0.76 0.61 -0.13 1.04 1.82 -1.85 0.15 116.42 118.82 2jrh h ASP 27 Ca 0.20 -0.25 -0.04 0.00 -0.39 0.00 0.00 57.03 56.55 2jrh h ASP 27 Cb 0.05 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 39.89 2jrh h ASP 27 CO -0.03 0.71 -0.06 0.58 -1.61 0.00 0.00 179.24 178.83 2jrh h VAL 28 N 0.50 1.31 -0.34 2.25 2.07 -1.12 -1.91 116.25 119.01 2jrh h VAL 28 Ca 0.12 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 2jrh h VAL 28 Cb 0.35 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 2jrh h VAL 28 CO 0.01 0.31 0.09 -0.08 0.02 0.00 0.00 177.57 177.92 2jrh h GLU 29 N -0.06 0.53 -0.59 1.57 4.81 -0.64 -0.73 114.58 119.46 2jrh h GLU 29 Ca 0.03 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2jrh h GLU 29 Cb 0.51 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 2jrh h GLU 29 CO 0.02 0.57 0.37 1.25 -0.73 0.00 0.00 179.01 180.49 2jrh h HIS 30 N 0.39 0.69 -0.04 0.92 2.76 -0.73 0.24 115.15 119.38 2jrh h HIS 30 Ca 0.11 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2jrh h HIS 30 Cb 0.27 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 29.00 2jrh h HIS 30 CO 0.01 0.40 0.01 -0.22 -1.30 0.00 0.00 177.93 176.84 2jrh h LYS 31 N 0.73 0.06 -0.67 5.26 3.64 -1.19 -1.85 116.57 122.56 2jrh h LYS 31 Ca 0.23 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.55 2jrh h LYS 31 Cb -0.00 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 2jrh h LYS 31 CO -0.09 0.24 0.20 0.28 -2.27 0.00 0.00 179.45 177.82 2jrh h VAL 32 N -0.13 1.25 -0.88 2.00 2.07 -0.91 -1.17 116.25 118.48 2jrh h VAL 32 Ca 0.01 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 2jrh h VAL 32 Cb 0.21 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 2jrh h VAL 32 CO -0.00 0.34 0.50 0.74 0.02 0.00 0.00 177.57 179.16 2jrh h THR 33 N 0.98 1.25 -0.20 2.57 2.02 -0.47 -0.44 112.91 118.62 2jrh h THR 33 Ca 0.22 -0.60 -0.19 0.00 0.77 0.00 0.00 66.41 66.61 2jrh h THR 33 Cb 0.31 0.05 0.01 0.00 -1.74 0.00 0.00 68.15 66.77 2jrh h THR 33 CO -0.01 0.28 -0.61 0.74 0.37 0.00 0.00 175.52 176.29 2jrh h THR 34 N 1.22 1.29 0.39 3.16 2.02 -1.07 0.45 112.91 120.38 2jrh h THR 34 Ca 0.31 -1.82 -0.02 0.00 0.77 0.00 0.00 66.41 65.66 2jrh h THR 34 Cb 0.00 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 2jrh h THR 34 CO -0.05 0.58 -0.19 0.58 0.37 0.00 0.00 175.52 176.80 2jrh h VAL 35 N 0.49 0.58 -0.00 3.16 2.07 -0.97 -3.19 116.25 118.39 2jrh h VAL 35 Ca -0.02 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2jrh h VAL 35 Cb 1.23 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 2jrh h VAL 35 CO 0.13 0.07 -0.22 0.49 0.02 0.00 0.00 177.57 178.06 2jrh n PHE 36 N -5.22 0.00 0.00 1.57 3.72 -0.20 -5.06 117.46 112.27 2jrh n PHE 36 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 2jrh n PHE 36 Cb 0.28 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 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 1.40 -0.82 3.13 1.37 0.00 0.16 -5.03 105.19 105.40 2jrh n GLY 37 Ca 0.10 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.29 0.72 0.37 1.61 1.03 -1.24 -4.37 119.66 116.48 2jrh s GLN 38 Ca 0.00 -1.05 -0.11 0.00 0.04 0.00 0.00 55.36 54.25 2jrh s GLN 38 Cb 0.00 -0.35 -0.07 0.00 0.03 0.00 0.00 33.01 32.62 2jrh s GLN 38 CO 0.00 0.04 0.73 -1.25 -2.54 0.00 0.00 175.29 172.27 2jrh s PRO 39 N -2.59 3.81 0.06 9.60 0.04 -1.26 -5.12 135.00 139.54 2jrh s PRO 39 Ca 0.01 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.51 2jrh s PRO 39 Cb -0.03 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 2jrh s PRO 39 CO -0.01 0.04 -0.05 -0.51 0.04 0.00 0.00 177.00 176.52 2jrh s LEU 40 N -3.59 2.43 -0.22 -3.56 1.43 -1.26 -4.13 118.68 109.77 2jrh s LEU 40 Ca 0.51 -0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 2jrh s LEU 40 Cb -0.10 0.07 0.01 0.00 0.03 0.00 0.00 46.19 46.19 2jrh s LEU 40 CO 0.28 -0.46 -0.08 -1.81 0.23 0.00 0.00 176.35 174.51 2jrh s ASP 41 N -2.54 4.09 -0.74 2.29 1.11 -0.82 -5.02 116.67 115.04 2jrh s ASP 41 Ca 0.02 -0.59 -0.27 0.00 0.18 0.00 0.00 52.55 51.89 2jrh s ASP 41 Cb 0.02 -1.67 0.03 0.00 1.07 0.00 0.00 42.92 42.37 2jrh s ASP 41 CO -0.06 -0.05 1.29 -0.76 1.18 0.00 0.00 175.17 176.77 2jrh s LEU 42 N 1.40 3.17 -0.35 1.23 1.43 -1.26 -2.65 118.68 121.64 2jrh s LEU 42 Ca 0.04 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 2jrh s LEU 42 Cb -0.15 -2.57 0.01 0.00 0.03 0.00 0.00 46.19 43.52 2jrh s LEU 42 CO -0.05 -1.84 0.20 -1.00 0.23 0.00 0.00 176.35 173.88 2jrh s HIS 43 N 5.78 3.22 -0.33 0.29 3.76 -1.10 -3.39 115.29 123.52 2jrh s HIS 43 Ca 0.36 -0.75 -0.17 0.00 -0.15 0.00 0.00 55.06 54.34 2jrh s HIS 43 Cb -0.08 -2.43 -0.01 0.00 1.11 0.00 0.00 32.58 31.17 2jrh s HIS 43 CO 0.15 -0.56 0.45 -0.47 -0.85 0.00 0.00 174.74 173.46 2jrh s TYR 44 N 1.59 3.20 -0.23 1.40 6.14 0.46 -0.66 117.35 129.25 2jrh s TYR 44 Ca 0.03 0.16 -0.09 0.00 0.64 0.00 0.00 57.07 57.81 2jrh s TYR 44 Cb -0.18 -2.79 -0.04 0.00 0.42 0.00 0.00 41.96 39.36 2jrh s TYR 44 CO 0.07 -0.46 0.13 1.41 0.64 0.00 0.00 175.55 177.34 2jrh s MET 45 N 2.23 3.97 0.02 4.97 1.75 -0.78 0.53 119.30 132.00 2jrh s MET 45 Ca 0.16 -0.32 -0.17 0.00 -1.25 0.00 0.00 55.69 54.11 2jrh s MET 45 Cb -0.16 -3.44 -0.34 0.00 2.84 0.00 0.00 34.83 33.74 2jrh s MET 45 CO 0.12 0.05 1.00 -0.91 -0.65 0.00 0.00 175.02 174.63 2jrh h ASN 46 N 7.51 0.77 0.00 1.11 2.35 -1.72 -3.41 115.58 122.19 2jrh h ASN 46 Ca -0.37 -0.91 0.00 0.00 -0.55 0.00 0.00 56.30 54.47 2jrh h ASN 46 Cb 1.17 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.29 2jrh h ASN 46 CO 0.65 1.62 0.00 -3.20 -1.65 0.00 0.00 177.43 174.85 2jrh n ASN 47 N -3.83 -1.07 -0.04 5.81 2.85 -1.26 -4.99 115.26 112.73 2jrh n ASN 47 Ca -0.16 0.40 -0.04 0.00 -0.11 0.00 0.00 54.58 54.67 2jrh n ASN 47 Cb 1.02 1.25 -0.07 0.00 1.24 0.00 0.00 39.78 43.21 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 -2.66 2.37 -4.12 1.20 -0.58 -1.26 -5.03 120.64 110.55 2jrh n GLU 48 Ca 0.00 -0.01 -0.26 0.00 -0.42 0.00 0.00 57.16 56.47 2jrh n GLU 48 Cb 0.00 -1.24 -0.06 0.00 -0.57 0.00 0.00 31.44 29.57 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 -4.63 3.66 -0.10 -4.62 2.01 -1.26 -5.12 118.68 108.61 2jrh s LEU 49 Ca -0.05 -0.22 0.01 0.00 0.01 0.00 0.00 54.13 53.89 2jrh s LEU 49 Cb 0.03 -2.28 -0.02 0.00 0.01 0.00 0.00 46.19 43.94 2jrh s LEU 49 CO 0.38 0.07 -0.15 -0.55 1.01 0.00 0.00 176.35 177.11 2jrh s SER 50 N -3.12 3.90 -0.05 2.29 0.15 -1.26 -2.36 113.70 113.25 2jrh s SER 50 Ca 0.30 -0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.68 2jrh s SER 50 Cb -0.10 -1.35 -0.00 0.00 -1.71 0.00 0.00 66.02 62.86 2jrh s SER 50 CO 0.22 0.22 -0.18 -0.63 1.20 0.00 0.00 173.24 174.07 2jrh s ILE 51 N 0.03 1.49 0.03 6.45 1.01 0.19 -4.94 121.20 125.46 2jrh s ILE 51 Ca -0.05 -0.74 -0.27 0.00 0.00 0.00 0.00 60.65 59.59 2jrh s ILE 51 Cb -0.15 -1.29 -0.05 0.00 0.01 0.00 0.00 42.46 40.99 2jrh s ILE 51 CO 0.04 0.43 0.84 -0.22 0.00 0.00 0.00 174.94 176.03 2jrh s LEU 52 N 0.11 4.42 -0.44 2.97 0.20 -1.26 -0.41 118.68 124.27 2jrh s LEU 52 Ca -0.06 1.51 -0.24 0.00 0.69 0.00 0.00 54.13 56.03 2jrh s LEU 52 Cb -0.13 -3.35 0.02 0.00 -0.43 0.00 0.00 46.19 42.31 2jrh s LEU 52 CO 0.03 -0.09 0.83 -0.76 -0.29 0.00 0.00 176.35 176.07 2jrh s LEU 53 N 0.35 4.16 -0.04 -0.68 1.43 -1.22 -4.95 118.68 117.73 2jrh s LEU 53 Ca 0.43 0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.51 2jrh s LEU 53 Cb -0.21 -3.04 -0.02 0.00 0.03 0.00 0.00 46.19 42.95 2jrh s LEU 53 CO 0.24 -0.93 0.26 0.50 0.23 0.00 0.00 176.35 176.66 2jrh h LYS 54 N 8.94 -0.15 0.00 1.70 1.63 -1.95 -3.48 116.57 123.25 2jrh h LYS 54 Ca -0.24 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.57 2jrh h LYS 54 Cb 1.08 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 2jrh h LYS 54 CO 0.97 -0.10 0.00 0.27 -3.45 0.00 0.00 179.45 177.14 2jrh n ASN 55 N -3.76 0.39 -0.05 4.20 0.23 -1.26 -5.02 115.26 109.98 2jrh n ASN 55 Ca -0.02 -0.90 0.20 0.00 -0.53 0.00 0.00 54.58 53.33 2jrh n ASN 55 Cb 0.06 0.00 0.66 0.00 -2.08 0.00 0.00 39.78 38.42 2jrh n ASN 55 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2jrh h GLN 56 N 0.00 0.07 -0.84 -3.83 5.75 -1.98 -1.43 115.11 112.85 2jrh h GLN 56 Ca 0.00 -0.00 0.11 0.00 -0.15 0.00 0.00 58.65 58.61 2jrh h GLN 56 Cb 0.00 -0.02 -0.08 0.00 1.07 0.00 0.00 27.48 28.45 2jrh h GLN 56 CO 0.00 0.05 0.47 0.22 -2.65 0.00 0.00 178.83 176.92 2jrh h ASP 57 N 0.07 0.64 -0.09 -0.69 3.58 -1.98 0.56 116.42 118.51 2jrh h ASP 57 Ca 0.30 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.79 2jrh h ASP 57 Cb 1.08 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.07 2jrh h ASP 57 CO -0.02 0.33 -0.00 0.44 -2.88 0.00 0.00 179.24 177.11 2jrh h ASP 58 N 0.74 0.16 -0.71 2.28 3.32 -1.66 -2.07 116.42 118.50 2jrh h ASP 58 Ca 0.43 -0.32 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 2jrh h ASP 58 Cb 0.47 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 2jrh h ASP 58 CO -0.29 0.44 0.20 0.25 -1.72 0.00 0.00 179.24 178.13 2jrh h LEU 59 N -0.12 1.06 -0.60 1.55 6.46 -1.39 -2.22 115.31 120.04 2jrh h LEU 59 Ca 0.03 -0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.56 2jrh h LEU 59 Cb 0.36 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 2jrh h LEU 59 CO 0.01 1.00 0.32 0.44 -0.62 0.00 0.00 178.44 179.58 2jrh h ASP 60 N 1.07 0.76 -0.39 1.25 3.32 0.14 -2.21 116.42 120.36 2jrh h ASP 60 Ca 0.23 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 2jrh h ASP 60 Cb 0.34 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 2jrh h ASP 60 CO -0.00 0.65 0.06 0.11 -1.72 0.00 0.00 179.24 178.34 2jrh h LYS 61 N 0.82 0.74 -0.75 3.56 1.57 -1.17 -2.62 116.57 118.71 2jrh h LYS 61 Ca 0.21 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2jrh h LYS 61 Cb 0.06 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2jrh h LYS 61 CO -0.03 0.71 0.33 0.00 -0.57 0.00 0.00 179.45 179.88 2jrh h ALA 62 N 1.36 1.16 -0.41 3.86 0.00 -0.88 -2.60 119.26 121.75 2jrh h ALA 62 Ca 0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2jrh h ALA 62 Cb 0.35 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2jrh h ALA 62 CO 0.01 0.62 0.11 0.82 0.00 0.00 0.00 179.25 180.81 2jrh h ILE 63 N 1.08 1.22 -0.77 0.00 2.04 -1.06 -1.38 117.51 118.64 2jrh h ILE 63 Ca 0.26 -0.76 0.07 0.00 1.00 0.00 0.00 64.86 65.42 2jrh h ILE 63 Cb 0.16 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 2jrh h ILE 63 CO -0.03 0.27 0.45 -0.78 0.00 0.00 0.00 178.15 178.06 2jrh h ASP 64 N 0.52 0.68 -0.28 1.72 3.58 -1.23 -1.00 116.42 120.42 2jrh h ASP 64 Ca 0.13 0.03 -0.14 0.00 0.42 0.00 0.00 57.03 57.47 2jrh h ASP 64 Cb 0.29 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 2jrh h ASP 64 CO -0.00 0.43 -0.35 0.40 -2.88 0.00 0.00 179.24 176.84 2jrh h ILE 65 N 0.81 1.28 -0.39 2.25 2.04 -1.28 -2.86 117.51 119.36 2jrh h ILE 65 Ca 0.35 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 64.70 2jrh h ILE 65 Cb 0.23 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 2jrh h ILE 65 CO -0.20 0.50 0.25 0.25 0.00 0.00 0.00 178.15 178.95 2jrh h LEU 66 N 0.67 0.46 -1.34 1.44 5.85 -0.43 -2.32 115.31 119.64 2jrh h LEU 66 Ca 0.07 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2jrh h LEU 66 Cb 0.90 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 2jrh h LEU 66 CO 0.08 0.36 0.36 0.44 -0.34 0.00 0.00 178.44 179.34 2jrh h ASP 67 N 0.52 0.71 -0.13 1.25 3.32 -1.18 -1.81 116.42 119.10 2jrh h ASP 67 Ca 0.14 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 2jrh h ASP 67 Cb -0.03 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 2jrh h ASP 67 CO -0.03 0.54 -0.01 -0.09 -1.72 0.00 0.00 179.24 177.93 2jrh h ARG 68 N 0.82 0.36 -7.10 3.56 2.43 -1.19 -3.43 114.38 109.83 2jrh h ARG 68 Ca 0.22 -0.06 -0.49 0.00 -0.81 0.00 0.00 59.98 58.83 2jrh h ARG 68 Cb -0.03 -0.06 0.06 0.00 -0.42 0.00 0.00 29.97 29.51 2jrh h ARG 68 CO -0.04 0.40 0.40 0.45 -1.51 0.00 0.00 179.97 179.67 2jrh s SER 69 N -6.82 5.93 0.08 -3.80 0.15 -0.68 -4.98 113.70 103.58 2jrh s SER 69 Ca -0.07 2.03 0.01 0.00 0.70 0.00 0.00 55.95 58.62 2jrh s SER 69 Cb 0.16 -2.57 -0.25 0.00 -1.71 0.00 0.00 66.02 61.65 2jrh s SER 69 CO 0.74 -1.07 1.13 0.28 1.20 0.00 0.00 173.24 175.52 2jrh h SER 70 N 1.17 0.25 0.02 5.45 0.02 -1.84 -3.39 113.55 115.23 2jrh h SER 70 Ca -0.49 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.18 2jrh h SER 70 Cb 1.24 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2jrh h SER 70 CO 0.58 1.22 -0.01 0.77 -1.14 0.00 0.00 176.83 178.25 2jrh h SER 71 N 0.04 -0.03 -5.64 3.07 4.64 -1.93 -3.49 113.55 110.21 2jrh h SER 71 Ca -0.11 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.11 2jrh h SER 71 Cb 1.91 0.01 0.01 0.00 -0.31 0.00 0.00 62.40 64.01 2jrh h SER 71 CO 0.17 0.01 -0.75 0.80 -0.87 0.00 0.00 176.83 176.18 2jrh n MET 72 N -2.24 -2.30 -3.71 4.77 1.56 -1.26 -5.00 117.12 108.94 2jrh n MET 72 Ca -0.00 1.96 -0.29 0.00 -0.27 0.00 0.00 57.70 59.10 2jrh n MET 72 Cb 0.01 -4.54 -0.12 0.00 2.15 0.00 0.00 33.22 30.72 2jrh n MET 72 CO 0.00 0.00 0.00 -1.59 -0.73 0.00 0.00 175.97 173.65 2jrh s LYS 73 N -2.41 1.54 0.26 2.12 -2.85 -1.26 -5.09 119.74 112.05 2jrh s LYS 73 Ca 0.25 -2.39 0.00 0.00 -1.00 0.00 0.00 55.97 52.83 2jrh s LYS 73 Cb -0.05 -2.48 0.00 0.00 -2.06 0.00 0.00 37.83 33.24 2jrh s LYS 73 CO 0.77 -1.23 0.00 0.45 0.10 0.00 0.00 175.35 175.44 2jrh n SER 74 N 3.00 -6.05 -4.51 0.03 2.88 -1.26 -4.85 113.62 102.87 2jrh n SER 74 Ca 0.15 1.08 -0.34 0.00 -1.33 0.00 0.00 58.87 58.44 2jrh n SER 74 Cb 0.37 -3.04 -0.12 0.00 -0.75 0.00 0.00 64.21 60.67 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 3.22 -1.00 2.46 1.02 -0.99 -4.94 118.68 118.44 2jrh s LEU 75 Ca 0.00 -0.12 -0.19 0.00 0.02 0.00 0.00 54.13 53.84 2jrh s LEU 75 Cb 0.00 -1.76 0.12 0.00 0.02 0.00 0.00 46.19 44.57 2jrh s LEU 75 CO 0.00 0.20 1.25 -0.13 0.02 0.00 0.00 176.35 177.69 2jrh s ARG 76 N 0.17 3.69 -0.11 1.70 0.52 -1.26 -1.91 118.95 121.74 2jrh s ARG 76 Ca -0.02 -1.79 0.03 0.00 -0.52 0.00 0.00 55.73 53.43 2jrh s ARG 76 Cb -0.14 -5.03 0.01 0.00 0.52 0.00 0.00 34.95 30.31 2jrh s ARG 76 CO 0.03 -1.86 -0.20 0.42 0.02 0.00 0.00 175.30 173.71 2jrh s ILE 77 N 2.95 1.80 -0.22 1.52 1.01 -1.10 -1.86 121.20 125.30 2jrh s ILE 77 Ca 0.37 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 2jrh s ILE 77 Cb -0.03 -1.60 0.02 0.00 0.01 0.00 0.00 42.46 40.86 2jrh s ILE 77 CO -0.07 0.50 -0.11 -0.22 0.00 0.00 0.00 174.94 175.04 2jrh s LEU 78 N 0.69 2.78 -0.18 2.97 2.96 0.16 -2.70 118.68 125.35 2jrh s LEU 78 Ca -0.12 -0.74 -0.14 0.00 -0.22 0.00 0.00 54.13 52.91 2jrh s LEU 78 Cb -0.16 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 2jrh s LEU 78 CO 0.02 -0.07 0.30 -1.48 -1.32 0.00 0.00 176.35 173.81 2jrh s LEU 79 N 1.33 4.20 0.06 -0.68 0.05 -0.49 -2.70 118.68 120.45 2jrh s LEU 79 Ca 0.02 0.45 0.06 0.00 0.05 0.00 0.00 54.13 54.71 2jrh s LEU 79 Cb -0.15 -2.37 -0.04 0.00 -2.05 0.00 0.00 46.19 41.58 2jrh s LEU 79 CO -0.07 0.04 -0.10 -0.76 -0.55 0.00 0.00 176.35 174.91 2jrh s LEU 80 N 0.80 3.02 0.10 1.48 1.02 -1.08 -4.31 118.68 119.70 2jrh s LEU 80 Ca 0.16 -0.32 -0.07 0.00 0.02 0.00 0.00 54.13 53.92 2jrh s LEU 80 Cb -0.13 -1.79 -0.06 0.00 0.02 0.00 0.00 46.19 44.23 2jrh s LEU 80 CO 0.05 0.22 0.38 -0.94 0.02 0.00 0.00 176.35 176.08 2jrh s SER 81 N -1.86 6.55 0.00 2.29 1.04 -1.26 -1.95 113.70 118.51 2jrh s SER 81 Ca 0.19 0.67 0.17 0.00 0.48 0.00 0.00 55.95 57.46 2jrh s SER 81 Cb -0.11 -2.13 0.75 0.00 0.10 0.00 0.00 66.02 64.63 2jrh s SER 81 CO 0.11 0.12 1.52 1.67 0.98 0.00 0.00 173.24 177.63 2jrh n GLN 82 N 0.52 1.42 -2.71 4.02 -0.06 -1.26 -4.48 117.38 114.83 2jrh n GLN 82 Ca -0.05 -0.64 -0.43 0.00 -2.00 0.00 0.00 57.00 53.87 2jrh n GLN 82 Cb 0.52 -1.31 0.01 0.00 -4.06 0.00 0.00 30.24 25.40 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 -0.11 5.73 -3.81 1.69 8.00 -1.26 -4.91 116.55 121.88 2jrh n ASP 83 Ca 0.13 -3.24 -0.30 0.00 0.71 0.00 0.00 54.79 52.09 2jrh n ASP 83 Cb 0.20 -1.38 -0.15 0.00 -0.02 0.00 0.00 41.12 39.77 2jrh n ASP 83 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2jrh s ARG 84 N -1.11 0.99 0.00 -1.24 0.52 -1.26 -5.02 118.95 111.82 2jrh s ARG 84 Ca 0.35 -1.09 0.00 0.00 -0.52 0.00 0.00 55.73 54.47 2jrh s ARG 84 Cb 0.06 -2.30 0.00 0.00 0.52 0.00 0.00 34.95 33.24 2jrh s ARG 84 CO 0.05 -0.86 0.00 0.09 0.02 0.00 0.00 175.30 174.60 2jrh n ASN 85 N 4.75 0.00 0.11 0.23 5.03 -1.26 -4.50 115.26 119.63 2jrh n ASN 85 Ca -0.04 0.32 -0.02 0.00 0.87 0.00 0.00 54.58 55.71 2jrh n ASN 85 Cb 0.43 -0.49 0.21 0.00 -1.02 0.00 0.00 39.78 38.91 2jrh n ASN 85 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 2jrh h LEU 86 N 0.00 0.19 -8.33 3.41 3.38 -2.04 -3.40 115.31 108.51 2jrh h LEU 86 Ca 0.00 -0.09 -0.54 0.00 0.09 0.00 0.00 57.88 57.34 2jrh h LEU 86 Cb 0.00 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.62 2jrh h LEU 86 CO 0.00 0.63 1.14 -0.70 0.09 0.00 0.00 178.44 179.60 2jrh s GLU 87 N -4.00 3.20 -0.22 1.13 -6.30 -1.26 -4.61 118.70 106.64 2jrh s GLU 87 Ca -0.04 -0.31 0.07 0.00 -2.50 0.00 0.00 54.97 52.19 2jrh s GLU 87 Cb 0.13 -4.37 0.22 0.00 0.00 0.00 0.00 34.13 30.12 2jrh s GLU 87 CO 0.77 -2.21 1.10 1.58 0.02 0.00 0.00 175.26 176.52 2jrh n HIS 88 N 9.57 -1.17 -3.59 5.30 -0.00 -1.26 -4.77 115.22 119.30 2jrh n HIS 88 Ca 0.09 -1.01 -0.05 0.00 0.46 0.00 0.00 57.72 57.21 2jrh n HIS 88 Cb 0.49 1.16 -0.02 0.00 -0.12 0.00 0.00 29.99 31.50 2jrh n HIS 88 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2jrh s HIS 89 N 0.08 -0.16 0.07 1.57 -3.43 -1.26 -5.09 115.29 107.07 2jrh s HIS 89 Ca 0.06 0.13 0.00 0.00 -0.80 0.00 0.00 55.06 54.45 2jrh s HIS 89 Cb 0.24 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.90 2jrh s HIS 89 CO -0.07 -0.24 0.00 1.58 -2.00 0.00 0.00 174.74 174.02 2jrh n HIS 90 N -0.01 -1.86 -3.64 0.38 -0.00 -1.26 -5.15 115.22 103.68 2jrh n HIS 90 Ca -0.01 0.24 -0.06 0.00 0.46 0.00 0.00 57.72 58.35 2jrh n HIS 90 Cb 0.59 0.82 -0.07 0.00 -0.12 0.00 0.00 29.99 31.21 2jrh n HIS 90 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jrh s HIS 91 N -2.00 -0.64 -0.01 1.57 2.46 -1.26 -5.11 115.29 110.30 2jrh s HIS 91 Ca 0.00 1.37 -0.02 0.00 0.47 0.00 0.00 55.06 56.88 2jrh s HIS 91 Cb 0.00 0.40 0.01 0.00 -0.13 0.00 0.00 32.58 32.85 2jrh s HIS 91 CO 0.00 -0.32 0.03 1.58 -2.47 0.00 0.00 174.74 173.57 2jrh n HIS 92 N 3.31 -2.75 1.00 3.88 -0.00 -1.26 -5.29 115.22 114.10 2jrh n HIS 92 Ca -0.17 1.63 0.12 0.00 -0.00 0.00 0.00 57.72 59.30 2jrh n HIS 92 Cb 0.57 -3.03 0.10 0.00 -0.00 0.00 0.00 29.99 27.63 2jrh n HIS 92 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95