#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 -0.21 0.25 1.08 1.04 -1.26 -5.13 113.70 109.48 2jrh s SER 2 Ca 0.00 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2jrh s SER 2 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2jrh s SER 2 CO 0.00 -0.87 0.00 -0.67 0.98 0.00 0.00 173.24 172.68 2jrh n ASP 3 N -0.23 -3.56 -4.11 7.02 -0.08 -1.26 -4.96 116.55 109.38 2jrh n ASP 3 Ca -0.15 0.78 -0.24 0.00 -1.51 0.00 0.00 54.79 53.67 2jrh n ASP 3 Cb 0.64 -1.64 -0.15 0.00 2.34 0.00 0.00 41.12 42.31 2jrh n ASP 3 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2jrh s VAL 4 N -4.49 1.19 -0.33 5.18 1.01 0.55 -4.90 120.40 118.61 2jrh s VAL 4 Ca 0.00 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 2jrh s VAL 4 Cb 0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 2jrh s VAL 4 CO 0.00 0.34 0.38 -0.13 0.00 0.00 0.00 175.10 175.69 2jrh s ARG 5 N -0.13 3.65 -0.10 2.72 3.00 -1.26 -0.40 118.95 126.43 2jrh s ARG 5 Ca 0.01 -0.31 0.03 0.00 0.00 0.00 0.00 55.73 55.46 2jrh s ARG 5 Cb -0.08 -3.78 -0.01 0.00 0.00 0.00 0.00 34.95 31.08 2jrh s ARG 5 CO 0.00 -0.49 -0.20 0.42 0.00 0.00 0.00 175.30 175.03 2jrh s ILE 6 N 2.07 2.45 -0.17 1.52 1.09 -0.89 -2.57 121.20 124.69 2jrh s ILE 6 Ca 0.13 -0.89 -0.05 0.00 -1.10 0.00 0.00 60.65 58.74 2jrh s ILE 6 Cb -0.16 -1.97 -0.03 0.00 -1.06 0.00 0.00 42.46 39.24 2jrh s ILE 6 CO 0.12 0.55 0.01 -0.75 -0.10 0.00 0.00 174.94 174.77 2jrh s LYS 7 N 0.23 3.80 -0.09 2.79 2.20 -1.04 -1.88 119.74 125.74 2jrh s LYS 7 Ca -0.13 -0.44 0.02 0.00 -0.36 0.00 0.00 55.97 55.06 2jrh s LYS 7 Cb -0.16 -3.07 -0.02 0.00 -1.51 0.00 0.00 37.83 33.07 2jrh s LYS 7 CO 0.07 0.22 -0.15 -0.06 -0.36 0.00 0.00 175.35 175.07 2jrh s PHE 8 N 0.46 2.73 -0.15 4.03 0.08 0.98 -3.02 117.98 123.08 2jrh s PHE 8 Ca -0.00 -0.46 0.02 0.00 0.12 0.00 0.00 56.93 56.60 2jrh s PHE 8 Cb -0.13 -1.73 0.01 0.00 -0.57 0.00 0.00 43.02 40.59 2jrh s PHE 8 CO 0.02 -0.06 -0.20 -2.00 -0.10 0.00 0.00 175.22 172.88 2jrh s GLU 9 N -0.12 3.05 -0.12 0.44 2.12 -1.17 0.10 118.70 123.00 2jrh s GLU 9 Ca -0.02 -0.83 -0.02 0.00 0.36 0.00 0.00 54.97 54.47 2jrh s GLU 9 Cb -0.14 -2.51 0.04 0.00 0.26 0.00 0.00 34.13 31.78 2jrh s GLU 9 CO 0.04 -0.06 0.01 -1.58 -0.54 0.00 0.00 175.26 173.13 2jrh s HIS 10 N 0.94 0.86 -1.56 5.30 2.46 0.04 -2.78 115.29 120.53 2jrh s HIS 10 Ca -0.04 -0.48 -0.03 0.00 0.47 0.00 0.00 55.06 54.98 2jrh s HIS 10 Cb -0.15 -0.92 0.01 0.00 -0.13 0.00 0.00 32.58 31.39 2jrh s HIS 10 CO -0.04 -0.46 0.29 0.09 -2.47 0.00 0.00 174.74 172.15 2jrh n ASN 11 N 5.10 -5.57 0.00 9.88 3.02 -1.26 -1.61 115.26 124.82 2jrh n ASN 11 Ca -0.08 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 2jrh n ASN 11 Cb 0.49 -4.58 0.00 0.00 -0.61 0.00 0.00 39.78 35.07 2jrh n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jrh n GLY 12 N -1.21 2.81 3.75 7.41 0.00 -1.26 -5.03 105.19 111.66 2jrh n GLY 12 Ca -0.16 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 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 4.26 -0.09 1.61 2.02 -0.63 -5.02 118.70 120.86 2jrh s GLU 13 Ca 0.00 2.32 -0.01 0.00 0.02 0.00 0.00 54.97 57.30 2jrh s GLU 13 Cb 0.00 -3.09 -0.03 0.00 0.10 0.00 0.00 34.13 31.11 2jrh s GLU 13 CO 0.00 -0.39 -0.03 1.03 0.02 0.00 0.00 175.26 175.88 2jrh s ARG 14 N -0.80 2.97 -0.06 1.61 0.52 -1.26 -0.78 118.95 121.15 2jrh s ARG 14 Ca 0.57 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 55.31 2jrh s ARG 14 Cb -0.42 -2.72 0.02 0.00 0.52 0.00 0.00 34.95 32.35 2jrh s ARG 14 CO 0.47 0.63 -0.06 1.03 0.02 0.00 0.00 175.30 177.39 2jrh s ARG 15 N -0.70 1.06 -0.20 3.54 0.52 0.11 -4.98 118.95 118.31 2jrh s ARG 15 Ca 0.11 -0.16 -0.04 0.00 -0.52 0.00 0.00 55.73 55.11 2jrh s ARG 15 Cb -0.11 -1.04 -0.02 0.00 0.52 0.00 0.00 34.95 34.29 2jrh s ARG 15 CO 0.02 -0.10 -0.03 0.42 0.02 0.00 0.00 175.30 175.63 2jrh s ILE 16 N 1.04 3.64 -0.03 1.52 1.09 -1.26 -0.01 121.20 127.19 2jrh s ILE 16 Ca -0.09 -0.42 0.01 0.00 -1.10 0.00 0.00 60.65 59.05 2jrh s ILE 16 Cb -0.14 -2.63 0.02 0.00 -1.06 0.00 0.00 42.46 38.64 2jrh s ILE 16 CO -0.00 0.44 -0.01 -0.63 -0.10 0.00 0.00 174.94 174.64 2jrh s ILE 17 N 1.05 0.22 -0.06 2.92 1.01 -0.79 -5.02 121.20 120.53 2jrh s ILE 17 Ca 0.01 0.02 -0.17 0.00 0.00 0.00 0.00 60.65 60.51 2jrh s ILE 17 Cb -0.15 -0.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.99 2jrh s ILE 17 CO 0.01 0.14 0.46 0.00 0.00 0.00 0.00 174.94 175.55 2jrh s ALA 18 N 0.79 3.55 -0.21 9.38 0.00 -1.26 -2.10 121.76 131.92 2jrh s ALA 18 Ca -0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.69 2jrh s ALA 18 Cb -0.11 -2.57 0.01 0.00 0.00 0.00 0.00 23.12 20.45 2jrh s ALA 18 CO -0.01 0.19 -0.12 -0.06 0.00 0.00 0.00 175.76 175.76 2jrh s PHE 19 N -0.07 2.89 0.08 0.00 0.08 0.47 -4.93 117.98 116.51 2jrh s PHE 19 Ca 0.25 -1.37 -0.30 0.00 0.12 0.00 0.00 56.93 55.64 2jrh s PHE 19 Cb -0.16 -2.01 -0.06 0.00 -0.57 0.00 0.00 43.02 40.22 2jrh s PHE 19 CO 0.12 -0.70 1.16 -1.54 -0.10 0.00 0.00 175.22 174.16 2jrh s SER 20 N 1.37 7.14 0.53 1.36 1.04 -1.26 -0.33 113.70 123.55 2jrh s SER 20 Ca 0.05 2.00 -0.18 0.00 0.48 0.00 0.00 55.95 58.29 2jrh s SER 20 Cb -0.14 -2.58 -0.06 0.00 0.10 0.00 0.00 66.02 63.33 2jrh s SER 20 CO -0.08 -0.40 1.06 -0.13 0.98 0.00 0.00 173.24 174.66 2jrh s ARG 21 N 0.76 3.55 0.79 4.02 0.52 -1.26 -4.42 118.95 122.91 2jrh s ARG 21 Ca 0.56 1.34 -0.12 0.00 -0.52 0.00 0.00 55.73 56.99 2jrh s ARG 21 Cb -0.29 -2.06 0.06 0.00 0.52 0.00 0.00 34.95 33.19 2jrh s ARG 21 CO 0.30 -0.63 1.11 -1.25 0.02 0.00 0.00 175.30 174.85 2jrh s PRO 22 N -3.56 2.16 0.02 3.54 0.04 -1.26 -4.90 135.00 131.04 2jrh s PRO 22 Ca 0.67 0.46 -0.18 0.00 0.04 0.00 0.00 61.00 61.99 2jrh s PRO 22 Cb -0.17 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.46 2jrh s PRO 22 CO 0.27 -1.53 0.40 0.54 0.04 0.00 0.00 177.00 176.72 2jrh s VAL 23 N -3.29 0.05 0.18 -0.36 0.11 -1.26 -5.16 120.40 110.66 2jrh s VAL 23 Ca 0.61 -0.44 0.02 0.00 -2.93 0.00 0.00 61.98 59.24 2jrh s VAL 23 Cb -0.13 -0.87 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 2jrh s VAL 23 CO 0.53 -0.24 -0.01 -1.59 -3.33 0.00 0.00 175.10 170.46 2jrh s LYS 24 N -2.09 1.12 0.20 1.54 0.00 -1.26 -5.06 119.74 114.20 2jrh s LYS 24 Ca -0.08 -1.54 -0.11 0.00 0.00 0.00 0.00 55.97 54.25 2jrh s LYS 24 Cb -0.02 -0.32 0.20 0.00 0.00 0.00 0.00 37.83 37.69 2jrh s LYS 24 CO 0.00 -0.11 1.80 -0.92 0.00 0.00 0.00 175.35 176.12 2jrh h TYR 25 N 2.68 0.60 -0.54 1.78 5.03 -1.98 -0.87 116.97 123.68 2jrh h TYR 25 Ca -0.37 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.00 2jrh h TYR 25 Cb 1.20 -0.18 -0.04 0.00 1.55 0.00 0.00 36.73 39.26 2jrh h TYR 25 CO 0.55 0.29 0.31 0.93 -1.32 0.00 0.00 178.16 178.91 2jrh h GLU 26 N 0.62 0.58 -0.31 1.82 3.07 -1.98 0.42 114.58 118.80 2jrh h GLU 26 Ca 0.27 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.03 2jrh h GLU 26 Cb 0.16 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 2jrh h GLU 26 CO -0.17 0.39 -0.05 0.22 -1.40 0.00 0.00 179.01 177.99 2jrh h ASP 27 N 0.60 0.59 -0.15 1.42 1.82 -1.86 -0.13 116.42 118.70 2jrh h ASP 27 Ca 0.23 -0.35 -0.04 0.00 -0.39 0.00 0.00 57.03 56.48 2jrh h ASP 27 Cb 0.07 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 39.92 2jrh h ASP 27 CO -0.12 0.80 -0.06 0.58 -1.61 0.00 0.00 179.24 178.83 2jrh h VAL 28 N 0.37 1.30 -0.67 2.25 2.07 -0.92 -2.92 116.25 117.73 2jrh h VAL 28 Ca 0.08 -1.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 2jrh h VAL 28 Cb 0.52 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 2jrh h VAL 28 CO 0.03 0.31 0.25 -0.08 0.02 0.00 0.00 177.57 178.10 2jrh h GLU 29 N -0.01 1.02 -0.93 1.57 4.81 -0.19 -2.04 114.58 118.80 2jrh h GLU 29 Ca 0.04 -0.19 0.07 0.00 -0.13 0.00 0.00 59.36 59.15 2jrh h GLU 29 Cb 0.51 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 29.66 2jrh h GLU 29 CO 0.02 0.86 0.59 0.45 -0.73 0.00 0.00 179.01 180.19 2jrh h HIS 30 N 0.96 1.08 -0.04 0.92 3.86 -1.00 0.49 115.15 121.42 2jrh h HIS 30 Ca 0.22 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 2jrh h HIS 30 Cb 0.23 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 2jrh h HIS 30 CO 0.02 0.53 -0.04 -0.22 0.86 0.00 0.00 177.93 179.08 2jrh h LYS 31 N 1.04 0.09 -0.50 2.45 1.63 -1.29 -2.60 116.57 117.39 2jrh h LYS 31 Ca 0.42 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 60.11 2jrh h LYS 31 Cb 0.23 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 2jrh h LYS 31 CO -0.19 0.55 0.07 0.28 -3.45 0.00 0.00 179.45 176.70 2jrh h VAL 32 N -0.37 1.25 -0.98 2.00 2.07 -1.06 -1.89 116.25 117.27 2jrh h VAL 32 Ca 0.01 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.60 2jrh h VAL 32 Cb 0.53 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 2jrh h VAL 32 CO 0.01 0.34 0.64 0.74 0.02 0.00 0.00 177.57 179.32 2jrh h THR 33 N 0.70 1.19 -0.06 2.57 2.02 -0.09 -1.62 112.91 117.63 2jrh h THR 33 Ca 0.15 -0.43 -0.15 0.00 0.77 0.00 0.00 66.41 66.75 2jrh h THR 33 Cb 0.42 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 2jrh h THR 33 CO 0.01 0.23 -0.62 0.74 0.37 0.00 0.00 175.52 176.26 2jrh h THR 34 N 1.26 1.40 0.55 3.16 2.02 -1.27 0.40 112.91 120.43 2jrh h THR 34 Ca 0.38 -2.02 -0.03 0.00 0.77 0.00 0.00 66.41 65.51 2jrh h THR 34 Cb -0.04 2.03 0.01 0.00 -1.74 0.00 0.00 68.15 68.41 2jrh h THR 34 CO -0.11 0.59 -0.27 0.58 0.37 0.00 0.00 175.52 176.69 2jrh h VAL 35 N 0.16 0.22 -0.41 3.16 2.07 -0.55 -3.29 116.25 117.60 2jrh h VAL 35 Ca -0.01 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2jrh h VAL 35 Cb 1.12 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2jrh h VAL 35 CO 0.09 0.04 0.00 0.49 0.02 0.00 0.00 177.57 178.21 2jrh n PHE 36 N -5.29 0.54 -1.48 1.57 3.72 -0.69 -5.07 117.46 110.76 2jrh n PHE 36 Ca -0.11 -0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.03 2jrh n PHE 36 Cb 0.33 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 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 1.39 -2.22 3.22 1.37 0.00 0.14 -5.00 105.19 104.09 2jrh n GLY 37 Ca 0.19 -1.50 -0.16 0.00 0.00 0.00 0.00 46.02 44.55 2jrh n GLY 37 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jrh s GLN 38 N -0.63 0.96 0.30 1.61 -2.07 -1.24 -4.43 119.66 114.16 2jrh s GLN 38 Ca 0.00 -1.24 -0.07 0.00 -1.82 0.00 0.00 55.36 52.23 2jrh s GLN 38 Cb 0.00 -0.70 -0.06 0.00 -1.09 0.00 0.00 33.01 31.16 2jrh s GLN 38 CO 0.00 0.12 0.60 -1.25 -1.32 0.00 0.00 175.29 173.44 2jrh s PRO 39 N -2.91 3.70 0.00 9.60 0.04 -1.26 -4.99 135.00 139.19 2jrh s PRO 39 Ca 0.09 0.16 0.01 0.00 0.04 0.00 0.00 61.00 61.30 2jrh s PRO 39 Cb -0.03 -2.59 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 2jrh s PRO 39 CO 0.01 0.18 -0.04 -0.51 0.04 0.00 0.00 177.00 176.69 2jrh s LEU 40 N -3.46 2.05 -0.15 -3.56 1.43 -1.26 -4.21 118.68 109.52 2jrh s LEU 40 Ca 0.46 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.41 2jrh s LEU 40 Cb -0.11 -0.15 -0.01 0.00 0.03 0.00 0.00 46.19 45.95 2jrh s LEU 40 CO 0.28 -0.01 -0.12 -1.81 0.23 0.00 0.00 176.35 174.92 2jrh s ASP 41 N -0.34 3.97 -0.39 2.29 1.01 -1.19 -5.01 116.67 117.01 2jrh s ASP 41 Ca -0.01 -0.37 -0.19 0.00 0.71 0.00 0.00 52.55 52.69 2jrh s ASP 41 Cb -0.03 -1.62 0.01 0.00 1.01 0.00 0.00 42.92 42.29 2jrh s ASP 41 CO -0.00 0.12 0.58 -0.76 0.21 0.00 0.00 175.17 175.32 2jrh s LEU 42 N 0.60 4.42 -0.22 1.23 1.43 -1.26 -2.51 118.68 122.36 2jrh s LEU 42 Ca -0.07 -0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 52.84 2jrh s LEU 42 Cb -0.16 -2.66 -0.01 0.00 0.03 0.00 0.00 46.19 43.39 2jrh s LEU 42 CO 0.03 -0.61 -0.02 -2.28 0.23 0.00 0.00 176.35 173.70 2jrh s HIS 43 N 2.59 2.99 -0.08 0.29 2.46 0.92 -3.55 115.29 120.90 2jrh s HIS 43 Ca 0.21 -0.79 -0.21 0.00 0.47 0.00 0.00 55.06 54.74 2jrh s HIS 43 Cb -0.15 -2.12 -0.04 0.00 -0.13 0.00 0.00 32.58 30.14 2jrh s HIS 43 CO 0.16 -0.48 0.61 -0.47 -2.47 0.00 0.00 174.74 172.09 2jrh s TYR 44 N 1.44 3.56 -0.19 3.88 5.04 0.13 -0.06 117.35 131.14 2jrh s TYR 44 Ca 0.05 1.11 0.00 0.00 -2.44 0.00 0.00 57.07 55.79 2jrh s TYR 44 Cb -0.14 -2.69 0.05 0.00 0.35 0.00 0.00 41.96 39.52 2jrh s TYR 44 CO -0.01 0.14 -0.07 -1.64 -1.34 0.00 0.00 175.55 172.63 2jrh s MET 45 N 0.67 1.66 -0.05 4.97 -1.94 -1.16 0.97 119.30 124.41 2jrh s MET 45 Ca 0.33 -0.71 -0.22 0.00 -1.71 0.00 0.00 55.69 53.38 2jrh s MET 45 Cb -0.17 -2.26 -0.16 0.00 2.01 0.00 0.00 34.83 34.25 2jrh s MET 45 CO 0.15 -0.46 0.90 -0.91 -0.01 0.00 0.00 175.02 174.69 2jrh h ASN 46 N 8.04 -0.17 0.00 3.03 4.21 -1.80 -3.45 115.58 125.45 2jrh h ASN 46 Ca -0.24 -0.38 0.00 0.00 1.21 0.00 0.00 56.30 56.89 2jrh h ASN 46 Cb 1.10 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 38.34 2jrh h ASN 46 CO 0.43 0.39 0.00 0.59 -1.29 0.00 0.00 177.43 177.55 2jrh n ASN 47 N -4.91 -0.49 -0.05 5.81 4.13 -1.26 -4.97 115.26 113.52 2jrh n ASN 47 Ca -0.08 0.38 -0.02 0.00 1.68 0.00 0.00 54.58 56.54 2jrh n ASN 47 Cb 0.27 0.76 -0.10 0.00 -1.54 0.00 0.00 39.78 39.16 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 -2.75 1.41 -4.29 3.52 4.71 -1.26 -5.02 120.64 116.97 2jrh n GLU 48 Ca 0.00 -0.05 -0.26 0.00 -0.01 0.00 0.00 57.16 56.85 2jrh n GLU 48 Cb 0.00 -1.33 -0.09 0.00 -1.01 0.00 0.00 31.44 29.01 2jrh n GLU 48 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 2jrh s LEU 49 N -4.64 3.03 -0.15 -4.62 0.20 -1.26 -5.13 118.68 106.11 2jrh s LEU 49 Ca -0.06 -0.59 0.01 0.00 0.69 0.00 0.00 54.13 54.18 2jrh s LEU 49 Cb 0.05 -1.67 0.00 0.00 -0.43 0.00 0.00 46.19 44.14 2jrh s LEU 49 CO 0.55 0.08 -0.18 -0.44 -0.29 0.00 0.00 176.35 176.06 2jrh s SER 50 N -3.01 3.39 -0.11 3.68 0.01 -1.26 -2.52 113.70 113.89 2jrh s SER 50 Ca 0.26 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 56.99 2jrh s SER 50 Cb -0.08 -1.51 -0.02 0.00 0.21 0.00 0.00 66.02 64.62 2jrh s SER 50 CO 0.16 0.08 -0.13 -0.63 0.41 0.00 0.00 173.24 173.13 2jrh s ILE 51 N 0.84 3.09 -0.11 1.44 1.01 0.27 -4.98 121.20 122.77 2jrh s ILE 51 Ca -0.06 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 59.81 2jrh s ILE 51 Cb -0.15 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 2jrh s ILE 51 CO -0.01 0.54 0.27 -0.22 0.00 0.00 0.00 174.94 175.52 2jrh s LEU 52 N 0.01 4.35 -1.16 2.97 2.96 -1.26 0.17 118.68 126.72 2jrh s LEU 52 Ca -0.04 0.60 -0.10 0.00 -0.22 0.00 0.00 54.13 54.38 2jrh s LEU 52 Cb -0.14 -2.32 0.24 0.00 0.50 0.00 0.00 46.19 44.47 2jrh s LEU 52 CO 0.04 0.26 1.40 0.18 -1.32 0.00 0.00 176.35 176.91 2jrh n LEU 53 N 2.60 5.78 0.08 -0.68 7.99 -1.23 -4.78 117.00 126.75 2jrh n LEU 53 Ca -0.15 -4.84 -0.14 0.00 -0.01 0.00 0.00 56.01 50.87 2jrh n LEU 53 Cb 0.53 -1.48 -0.08 0.00 -0.11 0.00 0.00 43.42 42.28 2jrh n LEU 53 CO 0.36 1.23 0.10 0.07 -1.51 0.00 0.00 177.39 177.65 2jrh h LYS 54 N 6.43 0.35 -5.69 3.23 2.10 -1.96 -3.47 116.57 117.55 2jrh h LYS 54 Ca 0.26 -0.44 -0.55 0.00 -2.00 0.00 0.00 60.65 57.91 2jrh h LYS 54 Cb 0.79 0.14 -0.14 0.00 -0.90 0.00 0.00 32.23 32.12 2jrh h LYS 54 CO 1.24 1.14 -0.67 -0.80 -2.00 0.00 0.00 179.45 178.35 2jrh s ASN 55 N -7.10 3.20 0.36 7.07 0.01 -1.26 -5.04 114.94 112.18 2jrh s ASN 55 Ca -0.05 -1.20 0.03 0.00 -0.71 0.00 0.00 52.86 50.93 2jrh s ASN 55 Cb 0.08 -0.25 0.68 0.00 0.41 0.00 0.00 41.25 42.17 2jrh s ASN 55 CO 0.87 -0.29 2.02 -0.61 -1.51 0.00 0.00 177.10 177.58 2jrh h GLN 56 N 2.15 0.78 -0.32 -0.60 -0.00 -2.00 -2.61 115.11 112.51 2jrh h GLN 56 Ca -0.41 -0.05 0.06 0.00 -0.00 0.00 0.00 58.65 58.26 2jrh h GLN 56 Cb 1.24 -0.18 -0.06 0.00 0.00 0.00 0.00 27.48 28.49 2jrh h GLN 56 CO 0.69 0.51 -0.07 -0.44 0.00 0.00 0.00 178.83 179.52 2jrh h ASP 57 N 0.80 -0.27 -0.43 -0.69 5.19 -1.98 0.55 116.42 119.59 2jrh h ASP 57 Ca 0.22 0.09 0.02 0.00 -0.62 0.00 0.00 57.03 56.74 2jrh h ASP 57 Cb -0.08 0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.59 2jrh h ASP 57 CO -0.05 -0.10 0.26 -0.78 -3.12 0.00 0.00 179.24 175.46 2jrh h ASP 58 N 0.01 0.43 -0.50 6.45 1.82 -1.84 0.23 116.42 123.01 2jrh h ASP 58 Ca 0.15 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.71 2jrh h ASP 58 Cb 0.23 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.13 2jrh h ASP 58 CO -0.32 0.31 0.01 0.25 -1.61 0.00 0.00 179.24 177.87 2jrh h LEU 59 N 0.53 0.87 -0.47 2.28 5.85 -1.26 -2.30 115.31 120.81 2jrh h LEU 59 Ca 0.17 -0.30 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 2jrh h LEU 59 Cb -0.01 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 2jrh h LEU 59 CO -0.07 0.96 -0.01 -0.78 -0.34 0.00 0.00 178.44 178.21 2jrh h ASP 60 N 0.75 0.82 -0.50 1.25 3.58 0.44 -2.66 116.42 120.10 2jrh h ASP 60 Ca 0.14 -0.31 -0.03 0.00 0.42 0.00 0.00 57.03 57.25 2jrh h ASP 60 Cb 0.51 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 2jrh h ASP 60 CO 0.02 0.93 0.20 0.50 -2.88 0.00 0.00 179.24 178.01 2jrh h LYS 61 N 0.68 0.80 -0.70 0.28 3.11 -0.49 -2.40 116.57 117.84 2jrh h LYS 61 Ca 0.13 -0.13 -0.06 0.00 -2.81 0.00 0.00 60.65 57.79 2jrh h LYS 61 Cb 0.51 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 31.57 2jrh h LYS 61 CO 0.03 0.67 0.22 0.00 -2.81 0.00 0.00 179.45 177.56 2jrh h ALA 62 N 1.43 1.06 -0.52 5.00 0.00 -1.20 -2.84 119.26 122.19 2jrh h ALA 62 Ca 0.18 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2jrh h ALA 62 Cb 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2jrh h ALA 62 CO -0.01 0.64 0.13 0.82 0.00 0.00 0.00 179.25 180.82 2jrh h ILE 63 N 1.04 1.24 -0.89 0.00 2.04 -1.10 -2.72 117.51 117.12 2jrh h ILE 63 Ca 0.23 -0.85 0.12 0.00 1.00 0.00 0.00 64.86 65.35 2jrh h ILE 63 Cb 0.29 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 2jrh h ILE 63 CO -0.01 0.31 0.57 0.44 0.00 0.00 0.00 178.15 179.46 2jrh h ASP 64 N 0.73 0.73 -0.53 1.72 5.19 -1.23 -1.01 116.42 122.02 2jrh h ASP 64 Ca 0.16 0.03 -0.08 0.00 -0.62 0.00 0.00 57.03 56.53 2jrh h ASP 64 Cb 0.33 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.70 2jrh h ASP 64 CO 0.00 0.40 0.03 0.40 -3.12 0.00 0.00 179.24 176.96 2jrh h ILE 65 N 0.80 1.26 -0.53 0.35 2.04 -1.32 -1.92 117.51 118.19 2jrh h ILE 65 Ca 0.43 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 2jrh h ILE 65 Cb 0.55 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 2jrh h ILE 65 CO -0.19 0.37 0.30 0.25 0.00 0.00 0.00 178.15 178.88 2jrh h LEU 66 N 0.79 0.66 -1.16 1.44 6.46 -1.02 -2.11 115.31 120.37 2jrh h LEU 66 Ca 0.15 -0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 57.77 2jrh h LEU 66 Cb 0.49 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 2jrh h LEU 66 CO 0.02 0.55 -0.07 -0.78 -0.62 0.00 0.00 178.44 177.55 2jrh h ASP 67 N 0.71 0.48 0.13 1.25 1.82 -1.23 -2.59 116.42 116.99 2jrh h ASP 67 Ca 0.19 -0.11 -0.09 0.00 -0.39 0.00 0.00 57.03 56.63 2jrh h ASP 67 Cb 0.03 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.90 2jrh h ASP 67 CO -0.03 0.60 -0.30 -0.09 -1.61 0.00 0.00 179.24 177.80 2jrh h ARG 68 N 0.48 0.27 -4.54 0.28 2.43 -0.89 -3.40 114.38 109.02 2jrh h ARG 68 Ca 0.10 -0.10 -0.71 0.00 -0.81 0.00 0.00 59.98 58.45 2jrh h ARG 68 Cb 0.41 -0.02 -0.24 0.00 -0.42 0.00 0.00 29.97 29.70 2jrh h ARG 68 CO 0.02 0.56 -0.49 0.45 -1.51 0.00 0.00 179.97 179.00 2jrh s SER 69 N -6.87 5.80 0.00 -3.80 0.15 -0.84 -4.94 113.70 103.20 2jrh s SER 69 Ca -0.05 -1.08 0.26 0.00 0.70 0.00 0.00 55.95 55.78 2jrh s SER 69 Cb 0.14 -2.05 1.15 0.00 -1.71 0.00 0.00 66.02 63.55 2jrh s SER 69 CO 0.76 -0.43 1.84 -0.24 1.20 0.00 0.00 173.24 176.37 2jrh n SER 70 N 5.02 0.00 -2.04 5.45 2.88 -1.26 -3.84 113.62 119.83 2jrh n SER 70 Ca -0.11 0.38 -0.19 0.00 -1.33 0.00 0.00 58.87 57.62 2jrh n SER 70 Cb 0.45 -0.46 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 2jrh n SER 70 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2jrh n SER 71 N -1.46 6.46 -1.91 -3.46 3.41 -1.26 -4.88 113.62 110.52 2jrh n SER 71 Ca 0.07 -3.09 -0.08 0.00 -0.26 0.00 0.00 58.87 55.52 2jrh n SER 71 Cb 0.28 -1.11 -0.03 0.00 -0.26 0.00 0.00 64.21 63.10 2jrh n SER 71 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2jrh n MET 72 N 0.51 0.24 0.01 4.33 0.00 -1.25 -5.13 117.12 115.83 2jrh n MET 72 Ca 0.35 -1.26 0.00 0.00 0.00 0.00 0.00 57.70 56.79 2jrh n MET 72 Cb 0.58 0.99 0.00 0.00 0.00 0.00 0.00 33.22 34.79 2jrh n MET 72 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2jrh n LYS 73 N -0.25 0.00 -2.76 2.12 5.02 -1.26 -5.16 118.16 115.87 2jrh n LYS 73 Ca 0.02 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.23 2jrh n LYS 73 Cb 0.23 -0.02 -0.02 0.00 -0.02 0.00 0.00 35.03 35.19 2jrh n LYS 73 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2jrh n SER 74 N -2.59 1.04 -4.63 4.39 7.64 -1.26 -4.73 113.62 113.47 2jrh n SER 74 Ca 0.00 -1.69 -0.40 0.00 1.01 0.00 0.00 58.87 57.80 2jrh n SER 74 Cb 0.00 0.33 -0.07 0.00 -1.01 0.00 0.00 64.21 63.45 2jrh n SER 74 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jrh s LEU 75 N 0.00 4.09 -1.26 -3.43 1.02 -1.06 -4.85 118.68 113.18 2jrh s LEU 75 Ca 0.06 0.59 -0.20 0.00 0.02 0.00 0.00 54.13 54.61 2jrh s LEU 75 Cb 0.00 -2.69 0.02 0.00 0.02 0.00 0.00 46.19 43.54 2jrh s LEU 75 CO 0.05 -0.25 1.79 -0.60 0.02 0.00 0.00 176.35 177.36 2jrh s ARG 76 N 2.08 3.51 -0.23 1.70 6.06 -1.26 -2.49 118.95 128.32 2jrh s ARG 76 Ca 0.23 -1.72 -0.08 0.00 -2.50 0.00 0.00 55.73 51.66 2jrh s ARG 76 Cb -0.16 -5.44 -0.04 0.00 0.06 0.00 0.00 34.95 29.37 2jrh s ARG 76 CO 0.09 -2.80 0.10 0.42 -2.50 0.00 0.00 175.30 170.61 2jrh s ILE 77 N 6.37 4.70 -0.30 4.11 1.01 -1.17 -2.99 121.20 132.93 2jrh s ILE 77 Ca 0.58 -0.05 -0.10 0.00 0.00 0.00 0.00 60.65 61.09 2jrh s ILE 77 Cb 0.02 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 2jrh s ILE 77 CO 0.09 0.36 0.15 -0.76 0.00 0.00 0.00 174.94 174.78 2jrh s LEU 78 N 1.24 4.02 -0.19 2.97 2.01 0.91 -3.02 118.68 126.62 2jrh s LEU 78 Ca 0.05 -0.35 -0.06 0.00 0.01 0.00 0.00 54.13 53.78 2jrh s LEU 78 Cb -0.14 -2.03 -0.03 0.00 0.01 0.00 0.00 46.19 43.99 2jrh s LEU 78 CO 0.04 -0.14 0.04 -1.48 1.01 0.00 0.00 176.35 175.82 2jrh s LEU 79 N 1.66 3.58 -0.12 1.79 0.05 -1.12 -0.06 118.68 124.46 2jrh s LEU 79 Ca 0.06 -0.04 0.03 0.00 0.05 0.00 0.00 54.13 54.23 2jrh s LEU 79 Cb -0.16 -1.91 0.00 0.00 -2.05 0.00 0.00 46.19 42.07 2jrh s LEU 79 CO 0.07 0.13 -0.23 -0.76 -0.55 0.00 0.00 176.35 175.01 2jrh s LEU 80 N 0.64 2.12 -0.17 1.48 1.02 -1.05 -4.54 118.68 118.18 2jrh s LEU 80 Ca 0.02 -0.57 -0.11 0.00 0.02 0.00 0.00 54.13 53.48 2jrh s LEU 80 Cb -0.13 -1.43 -0.05 0.00 0.02 0.00 0.00 46.19 44.59 2jrh s LEU 80 CO 0.02 0.12 0.21 -0.55 0.02 0.00 0.00 176.35 176.17 2jrh s SER 81 N 0.57 6.34 0.00 2.29 0.15 -1.26 -3.19 113.70 118.59 2jrh s SER 81 Ca -0.13 0.39 0.19 0.00 0.70 0.00 0.00 55.95 57.10 2jrh s SER 81 Cb -0.17 -2.13 0.67 0.00 -1.71 0.00 0.00 66.02 62.68 2jrh s SER 81 CO 0.04 0.17 1.50 0.00 1.20 0.00 0.00 173.24 176.14 2jrh n GLN 82 N 3.36 1.78 -4.35 5.44 10.64 -1.26 -4.83 117.38 128.17 2jrh n GLN 82 Ca -0.15 -1.18 -0.34 0.00 -1.83 0.00 0.00 57.00 53.51 2jrh n GLN 82 Cb 0.52 -1.38 -0.13 0.00 -0.86 0.00 0.00 30.24 28.39 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 -1.47 4.57 -0.66 2.61 1.11 -1.26 -5.07 116.67 116.50 2jrh s ASP 83 Ca 0.31 -0.22 -0.08 0.00 0.18 0.00 0.00 52.55 52.75 2jrh s ASP 83 Cb 0.17 -1.75 0.17 0.00 1.07 0.00 0.00 42.92 42.58 2jrh s ASP 83 CO 0.25 0.12 0.52 -0.13 1.18 0.00 0.00 175.17 177.11 2jrh s ARG 84 N 0.63 2.87 0.38 8.23 0.52 -1.26 -5.05 118.95 125.26 2jrh s ARG 84 Ca -0.03 -2.36 0.02 0.00 -0.52 0.00 0.00 55.73 52.84 2jrh s ARG 84 Cb -0.15 -3.99 -0.01 0.00 0.52 0.00 0.00 34.95 31.33 2jrh s ARG 84 CO 0.02 -1.21 0.06 0.09 0.02 0.00 0.00 175.30 174.28 2jrh n ASN 85 N 3.92 2.12 -2.87 0.23 3.02 -1.26 -4.88 115.26 115.54 2jrh n ASN 85 Ca 0.07 -2.81 -0.14 0.00 -0.03 0.00 0.00 54.58 51.67 2jrh n ASN 85 Cb 0.41 0.59 0.07 0.00 -0.61 0.00 0.00 39.78 40.24 2jrh n ASN 85 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2jrh n LEU 86 N 0.00 -3.48 0.02 3.41 0.00 -1.26 -4.96 117.00 110.73 2jrh n LEU 86 Ca -0.11 -0.46 -0.18 0.00 0.00 0.00 0.00 56.01 55.25 2jrh n LEU 86 Cb 0.52 -2.50 -0.13 0.00 0.00 0.00 0.00 43.42 41.30 2jrh n LEU 86 CO 0.27 0.33 0.17 -0.33 0.00 0.00 0.00 177.39 177.83 2jrh h GLU 87 N -1.57 0.30 -2.66 1.96 5.08 -2.04 -3.49 114.58 112.16 2jrh h GLU 87 Ca -0.45 -0.42 0.11 0.00 -1.00 0.00 0.00 59.36 57.60 2jrh h GLU 87 Cb 1.26 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.62 2jrh h GLU 87 CO 0.39 1.15 0.43 -1.58 -1.00 0.00 0.00 179.01 178.41 2jrh s HIS 88 N -2.73 -0.01 -0.09 4.33 2.46 -1.26 -5.07 115.29 112.92 2jrh s HIS 88 Ca -0.14 -0.45 -0.16 0.00 0.47 0.00 0.00 55.06 54.78 2jrh s HIS 88 Cb 0.01 0.72 -0.28 0.00 -0.13 0.00 0.00 32.58 32.90 2jrh s HIS 88 CO 0.81 -1.10 0.62 1.25 -2.47 0.00 0.00 174.74 173.84 2jrh h HIS 89 N 2.00 0.48 -2.12 3.88 2.76 -1.96 -3.51 115.15 116.68 2jrh h HIS 89 Ca -0.27 -0.35 0.13 0.00 -2.20 0.00 0.00 60.37 57.69 2jrh h HIS 89 Cb 1.23 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 30.14 2jrh h HIS 89 CO 0.96 1.52 -0.18 0.72 -1.30 0.00 0.00 177.93 179.66 2jrh n HIS 90 N -3.94 -2.46 -1.31 5.26 8.25 -1.26 -4.24 115.22 115.51 2jrh n HIS 90 Ca -0.23 0.61 -0.13 0.00 -0.26 0.00 0.00 57.72 57.70 2jrh n HIS 90 Cb 0.90 -0.97 0.20 0.00 1.12 0.00 0.00 29.99 31.24 2jrh n HIS 90 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jrh n HIS 91 N -2.52 2.09 -3.64 4.41 1.44 -1.26 -4.93 115.22 110.81 2jrh n HIS 91 Ca 0.00 -1.67 -0.05 0.00 -2.01 0.00 0.00 57.72 54.00 2jrh n HIS 91 Cb 0.22 -0.71 -0.07 0.00 0.12 0.00 0.00 29.99 29.55 2jrh n HIS 91 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2jrh s HIS 92 N -3.24 -0.55 0.00 -1.40 0.00 -1.26 -5.36 115.29 103.48 2jrh s HIS 92 Ca 0.51 1.18 0.00 0.00 -3.00 0.00 0.00 55.06 53.75 2jrh s HIS 92 Cb 0.44 0.37 0.00 0.00 -4.00 0.00 0.00 32.58 29.39 2jrh s HIS 92 CO 0.06 -0.27 0.00 0.72 -1.00 0.00 0.00 174.74 174.25