#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 2.50 0.00 1.69 0.01 -1.26 -5.02 113.70 111.62 2jrh s SER 2 Ca 0.00 -0.91 -0.01 0.00 1.31 0.00 0.00 55.95 56.35 2jrh s SER 2 Cb 0.00 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.10 2jrh s SER 2 CO 0.00 -0.11 0.01 -0.67 0.41 0.00 0.00 173.24 172.88 2jrh n ASP 3 N 0.10 -5.38 -4.57 2.44 2.03 -1.26 -4.97 116.55 104.95 2jrh n ASP 3 Ca -0.12 0.90 -0.41 0.00 0.52 0.00 0.00 54.79 55.69 2jrh n ASP 3 Cb 0.58 -3.09 -0.08 0.00 -0.72 0.00 0.00 41.12 37.80 2jrh n ASP 3 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2jrh s VAL 4 N -0.30 5.09 -0.34 5.18 1.01 0.14 -4.82 120.40 126.35 2jrh s VAL 4 Ca -0.01 0.34 -0.23 0.00 0.00 0.00 0.00 61.98 62.08 2jrh s VAL 4 Cb 0.00 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.52 2jrh s VAL 4 CO 0.03 -0.09 0.78 -0.60 0.00 0.00 0.00 175.10 175.22 2jrh s ARG 5 N 2.22 3.83 -0.16 2.72 3.52 -1.26 -0.51 118.95 129.32 2jrh s ARG 5 Ca 0.16 0.40 -0.01 0.00 -0.13 0.00 0.00 55.73 56.15 2jrh s ARG 5 Cb -0.16 -3.78 -0.01 0.00 -1.56 0.00 0.00 34.95 29.44 2jrh s ARG 5 CO 0.12 -0.78 -0.12 0.42 -0.81 0.00 0.00 175.30 174.13 2jrh s ILE 6 N 3.04 3.01 -0.34 4.11 1.01 -0.04 -3.11 121.20 128.88 2jrh s ILE 6 Ca 0.31 -0.65 -0.12 0.00 0.00 0.00 0.00 60.65 60.19 2jrh s ILE 6 Cb -0.14 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 2jrh s ILE 6 CO 0.15 0.50 0.23 -0.54 0.00 0.00 0.00 174.94 175.28 2jrh s LYS 7 N 0.73 3.48 -0.12 2.79 1.02 -1.07 -1.86 119.74 124.70 2jrh s LYS 7 Ca -0.05 -0.65 -0.06 0.00 0.02 0.00 0.00 55.97 55.22 2jrh s LYS 7 Cb -0.15 -3.77 -0.04 0.00 -0.52 0.00 0.00 37.83 33.35 2jrh s LYS 7 CO 0.02 -0.44 0.11 -0.06 -0.92 0.00 0.00 175.35 174.06 2jrh s PHE 8 N 1.71 3.48 -0.10 3.18 0.08 -0.50 -3.34 117.98 122.48 2jrh s PHE 8 Ca 0.06 0.43 0.03 0.00 0.12 0.00 0.00 56.93 57.57 2jrh s PHE 8 Cb -0.17 -1.93 0.01 0.00 -0.57 0.00 0.00 43.02 40.35 2jrh s PHE 8 CO 0.10 0.63 -0.20 -1.21 -0.10 0.00 0.00 175.22 174.44 2jrh s GLU 9 N -0.85 2.66 -0.17 0.44 2.02 -1.19 -1.51 118.70 120.11 2jrh s GLU 9 Ca 0.14 -0.74 -0.04 0.00 0.02 0.00 0.00 54.97 54.35 2jrh s GLU 9 Cb -0.12 -2.10 0.07 0.00 0.10 0.00 0.00 34.13 32.08 2jrh s GLU 9 CO 0.03 0.07 0.16 -1.58 0.02 0.00 0.00 175.26 173.96 2jrh s HIS 10 N 0.61 -0.08 -1.59 1.61 2.46 -0.40 -2.98 115.29 114.91 2jrh s HIS 10 Ca -0.14 0.10 -0.04 0.00 0.47 0.00 0.00 55.06 55.45 2jrh s HIS 10 Cb -0.17 -0.47 0.01 0.00 -0.13 0.00 0.00 32.58 31.83 2jrh s HIS 10 CO 0.04 -0.50 0.47 -1.71 -2.47 0.00 0.00 174.74 170.57 2jrh n ASN 11 N 5.31 -5.95 0.00 9.88 2.85 -1.26 -1.64 115.26 124.44 2jrh n ASN 11 Ca -0.06 -0.23 0.00 0.00 -0.11 0.00 0.00 54.58 54.18 2jrh n ASN 11 Cb 0.49 -4.85 0.00 0.00 1.24 0.00 0.00 39.78 36.67 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 -1.40 2.80 3.77 8.20 0.00 -1.26 -5.03 105.19 112.27 2jrh n GLY 12 Ca -0.14 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 2jrh n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jrh s GLU 13 N 0.00 3.91 0.03 1.61 0.41 -0.65 -5.04 118.70 118.97 2jrh s GLU 13 Ca 0.00 2.16 0.09 0.00 -0.41 0.00 0.00 54.97 56.80 2jrh s GLU 13 Cb 0.00 -2.71 -0.03 0.00 -1.78 0.00 0.00 34.13 29.61 2jrh s GLU 13 CO 0.00 -0.54 -0.26 -0.98 -0.49 0.00 0.00 175.26 172.99 2jrh s ARG 14 N -2.30 1.88 -0.02 1.61 1.70 -1.26 -1.28 118.95 119.28 2jrh s ARG 14 Ca 0.58 -1.07 -0.01 0.00 -0.47 0.00 0.00 55.73 54.76 2jrh s ARG 14 Cb -0.38 -2.01 0.02 0.00 -0.57 0.00 0.00 34.95 32.01 2jrh s ARG 14 CO 0.49 0.52 0.05 0.50 -1.08 0.00 0.00 175.30 175.78 2jrh s ARG 15 N -1.13 0.02 -0.27 3.89 6.06 -0.57 -4.99 118.95 121.95 2jrh s ARG 15 Ca 0.12 0.14 -0.08 0.00 -2.50 0.00 0.00 55.73 53.41 2jrh s ARG 15 Cb -0.10 -0.11 -0.02 0.00 0.06 0.00 0.00 34.95 34.78 2jrh s ARG 15 CO 0.02 -0.09 0.10 0.42 -2.50 0.00 0.00 175.30 173.24 2jrh s ILE 16 N 0.57 4.37 -0.07 4.11 1.01 -1.26 -1.42 121.20 128.52 2jrh s ILE 16 Ca -0.05 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.33 2jrh s ILE 16 Cb -0.07 -3.12 0.01 0.00 0.01 0.00 0.00 42.46 39.29 2jrh s ILE 16 CO -0.02 0.23 -0.13 -0.63 0.00 0.00 0.00 174.94 174.39 2jrh s ILE 17 N 1.60 1.18 0.10 2.92 1.01 -0.78 -4.99 121.20 122.24 2jrh s ILE 17 Ca 0.05 -0.50 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 2jrh s ILE 17 Cb -0.16 -1.07 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 2jrh s ILE 17 CO 0.04 0.36 0.36 0.00 0.00 0.00 0.00 174.94 175.71 2jrh s ALA 18 N 0.66 3.78 -0.02 9.38 0.00 -1.26 -0.86 121.76 133.45 2jrh s ALA 18 Ca -0.15 -0.51 0.04 0.00 0.00 0.00 0.00 51.96 51.34 2jrh s ALA 18 Cb -0.16 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 2jrh s ALA 18 CO 0.04 0.63 -0.12 -0.06 0.00 0.00 0.00 175.76 176.25 2jrh s PHE 19 N -1.51 1.14 -0.27 0.00 0.08 0.34 -4.89 117.98 112.86 2jrh s PHE 19 Ca 0.36 -0.24 -0.16 0.00 0.12 0.00 0.00 56.93 57.01 2jrh s PHE 19 Cb -0.13 -0.75 -0.03 0.00 -0.57 0.00 0.00 43.02 41.54 2jrh s PHE 19 CO 0.21 -0.05 0.41 -1.54 -0.10 0.00 0.00 175.22 174.15 2jrh s SER 20 N -0.17 6.29 0.56 1.36 1.04 -1.26 0.23 113.70 121.75 2jrh s SER 20 Ca 0.03 0.32 -0.19 0.00 0.48 0.00 0.00 55.95 56.59 2jrh s SER 20 Cb -0.06 -2.23 -0.05 0.00 0.10 0.00 0.00 66.02 63.78 2jrh s SER 20 CO -0.00 -0.21 1.15 -0.13 0.98 0.00 0.00 173.24 175.02 2jrh s ARG 21 N 2.13 3.22 0.39 4.02 0.52 -1.26 -4.21 118.95 123.75 2jrh s ARG 21 Ca 0.16 1.65 -0.25 0.00 -0.52 0.00 0.00 55.73 56.77 2jrh s ARG 21 Cb -0.16 -1.98 -0.09 0.00 0.52 0.00 0.00 34.95 33.24 2jrh s ARG 21 CO 0.10 -0.96 1.11 -2.14 0.02 0.00 0.00 175.30 173.43 2jrh s PRO 22 N -3.34 4.15 -0.19 3.54 0.02 -1.26 -5.05 135.00 132.88 2jrh s PRO 22 Ca 0.74 1.71 -0.02 0.00 0.02 0.00 0.00 61.00 63.44 2jrh s PRO 22 Cb -0.25 -2.67 -0.01 0.00 0.02 0.00 0.00 34.50 31.59 2jrh s PRO 22 CO 0.29 -0.20 -0.08 0.54 -0.33 0.00 0.00 177.00 177.22 2jrh s VAL 23 N -1.48 3.18 -0.13 3.83 0.11 -1.26 -5.11 120.40 119.53 2jrh s VAL 23 Ca 0.56 -0.58 -0.07 0.00 -2.93 0.00 0.00 61.98 58.96 2jrh s VAL 23 Cb -0.27 -2.40 -0.04 0.00 -1.53 0.00 0.00 36.38 32.13 2jrh s VAL 23 CO 0.34 0.47 0.12 -0.54 -3.33 0.00 0.00 175.10 172.16 2jrh s LYS 24 N 1.05 3.56 0.28 1.54 3.01 -1.26 -5.00 119.74 122.92 2jrh s LYS 24 Ca 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 55.97 54.77 2jrh s LYS 24 Cb -0.15 -3.19 0.53 0.00 -1.01 0.00 0.00 37.83 34.01 2jrh s LYS 24 CO -0.01 0.65 1.83 -0.92 0.51 0.00 0.00 175.35 177.41 2jrh h TYR 25 N 5.42 1.11 -0.38 3.18 3.20 -1.97 -0.23 116.97 127.30 2jrh h TYR 25 Ca -0.51 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.37 2jrh h TYR 25 Cb 1.21 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 2jrh h TYR 25 CO 0.70 0.45 0.15 1.49 -1.64 0.00 0.00 178.16 179.31 2jrh h GLU 26 N 0.98 0.56 -0.41 1.82 4.81 -1.99 -0.39 114.58 119.96 2jrh h GLU 26 Ca 0.48 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.57 2jrh h GLU 26 Cb 0.46 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 2jrh h GLU 26 CO -0.26 0.54 0.11 0.22 -0.73 0.00 0.00 179.01 178.89 2jrh h ASP 27 N 0.47 0.61 -0.27 1.04 1.82 -1.75 -1.58 116.42 116.76 2jrh h ASP 27 Ca 0.13 -0.22 -0.01 0.00 -0.39 0.00 0.00 57.03 56.53 2jrh h ASP 27 Cb 0.18 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.02 2jrh h ASP 27 CO -0.01 0.67 0.13 0.58 -1.61 0.00 0.00 179.24 179.00 2jrh h VAL 28 N 0.52 1.15 -0.46 2.25 2.07 -0.96 -2.37 116.25 118.45 2jrh h VAL 28 Ca 0.13 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.25 2jrh h VAL 28 Cb 0.29 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2jrh h VAL 28 CO -0.00 0.15 0.24 -0.08 0.02 0.00 0.00 177.57 177.91 2jrh h GLU 29 N 0.31 0.47 -0.83 1.57 4.81 -0.97 0.13 114.58 120.07 2jrh h GLU 29 Ca 0.09 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 2jrh h GLU 29 Cb 0.12 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.34 2jrh h GLU 29 CO -0.01 0.31 0.51 0.45 -0.73 0.00 0.00 179.01 179.54 2jrh h HIS 30 N 0.49 0.94 -0.01 0.92 3.86 -1.11 0.61 115.15 120.85 2jrh h HIS 30 Ca 0.19 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.43 2jrh h HIS 30 Cb 0.07 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.24 2jrh h HIS 30 CO -0.09 0.47 -0.01 -0.22 0.86 0.00 0.00 177.93 178.94 2jrh h LYS 31 N 0.93 0.02 -0.60 2.45 3.64 -0.89 -2.88 116.57 119.23 2jrh h LYS 31 Ca 0.36 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.67 2jrh h LYS 31 Cb 0.18 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2jrh h LYS 31 CO -0.18 0.57 0.13 0.28 -2.27 0.00 0.00 179.45 177.98 2jrh h VAL 32 N -0.53 1.25 -0.96 2.00 2.07 -0.54 -2.18 116.25 117.36 2jrh h VAL 32 Ca 0.00 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.62 2jrh h VAL 32 Cb 0.57 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 2jrh h VAL 32 CO 0.00 0.35 0.63 0.74 0.02 0.00 0.00 177.57 179.31 2jrh h THR 33 N 0.88 1.17 -0.17 2.57 2.02 0.15 -2.03 112.91 117.49 2jrh h THR 33 Ca 0.18 -0.42 -0.18 0.00 0.77 0.00 0.00 66.41 66.77 2jrh h THR 33 Cb 0.38 -0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 2jrh h THR 33 CO 0.01 0.22 -0.61 0.74 0.37 0.00 0.00 175.52 176.25 2jrh h THR 34 N 1.22 1.32 0.50 3.16 2.02 -1.31 0.64 112.91 120.46 2jrh h THR 34 Ca 0.38 -1.88 -0.02 0.00 0.77 0.00 0.00 66.41 65.66 2jrh h THR 34 Cb -0.00 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 2jrh h THR 34 CO -0.11 0.58 -0.24 0.58 0.37 0.00 0.00 175.52 176.70 2jrh h VAL 35 N 0.44 0.51 0.00 3.16 2.07 -0.79 -3.26 116.25 118.37 2jrh h VAL 35 Ca -0.01 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2jrh h VAL 35 Cb 1.18 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2jrh h VAL 35 CO 0.12 0.02 -0.98 -0.26 0.02 0.00 0.00 177.57 176.48 2jrh h PHE 36 N -0.73 0.00 0.00 1.57 0.04 -1.48 -3.51 116.94 112.84 2jrh h PHE 36 Ca -0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2jrh h PHE 36 Cb 0.54 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.69 2jrh h PHE 36 CO -0.03 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.09 2jrh n GLY 37 N 1.19 0.62 3.03 -1.45 0.00 0.22 -5.08 105.19 103.72 2jrh n GLY 37 Ca 0.00 -2.16 -0.08 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.08 0.44 0.30 1.61 0.00 -1.25 -4.34 119.66 115.34 2jrh s GLN 38 Ca 0.00 -0.87 -0.16 0.00 -0.00 0.00 0.00 55.36 54.33 2jrh s GLN 38 Cb 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 33.01 33.07 2jrh s GLN 38 CO 0.00 -0.07 0.73 -1.25 0.00 0.00 0.00 175.29 174.70 2jrh s PRO 39 N -2.49 4.06 0.06 9.60 0.04 -1.26 -5.12 135.00 139.89 2jrh s PRO 39 Ca -0.06 0.71 -0.00 0.00 0.04 0.00 0.00 61.00 61.69 2jrh s PRO 39 Cb -0.03 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 2jrh s PRO 39 CO -0.05 0.21 -0.04 -0.51 0.04 0.00 0.00 177.00 176.65 2jrh s LEU 40 N -2.75 2.46 -0.05 -3.56 1.43 -1.26 -4.41 118.68 110.54 2jrh s LEU 40 Ca 0.51 -0.93 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 2jrh s LEU 40 Cb -0.12 0.10 -0.03 0.00 0.03 0.00 0.00 46.19 46.18 2jrh s LEU 40 CO 0.18 -0.52 -0.13 -0.62 0.23 0.00 0.00 176.35 175.50 2jrh s ASP 41 N -2.75 4.18 -0.43 2.29 -1.08 -1.02 -4.99 116.67 112.87 2jrh s ASP 41 Ca 0.05 -0.16 -0.13 0.00 -0.52 0.00 0.00 52.55 51.79 2jrh s ASP 41 Cb 0.05 -0.92 0.05 0.00 -1.46 0.00 0.00 42.92 40.65 2jrh s ASP 41 CO -0.07 0.34 0.30 -0.76 0.52 0.00 0.00 175.17 175.50 2jrh s LEU 42 N -0.80 5.21 -0.21 -1.34 1.43 -1.26 -2.71 118.68 118.99 2jrh s LEU 42 Ca 0.12 -1.22 -0.08 0.00 -1.03 0.00 0.00 54.13 51.92 2jrh s LEU 42 Cb -0.11 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 2jrh s LEU 42 CO 0.01 -0.53 0.08 -2.28 0.23 0.00 0.00 176.35 173.87 2jrh s HIS 43 N 1.57 3.19 -0.12 0.29 2.46 -0.35 -3.47 115.29 118.86 2jrh s HIS 43 Ca 0.03 -0.07 0.00 0.00 0.47 0.00 0.00 55.06 55.49 2jrh s HIS 43 Cb -0.22 -2.16 -0.01 0.00 -0.13 0.00 0.00 32.58 30.05 2jrh s HIS 43 CO 0.06 -0.04 -0.14 -0.47 -2.47 0.00 0.00 174.74 171.68 2jrh s TYR 44 N 0.93 2.79 -0.11 3.88 6.14 -1.18 -0.99 117.35 128.80 2jrh s TYR 44 Ca 0.04 -0.66 0.00 0.00 0.64 0.00 0.00 57.07 57.10 2jrh s TYR 44 Cb -0.14 -1.83 0.02 0.00 0.42 0.00 0.00 41.96 40.44 2jrh s TYR 44 CO 0.03 -0.21 -0.10 0.00 0.64 0.00 0.00 175.55 175.91 2jrh s MET 45 N 0.31 1.68 -0.10 4.97 0.23 -1.23 -1.94 119.30 123.22 2jrh s MET 45 Ca -0.11 -0.33 -0.01 0.00 -1.03 0.00 0.00 55.69 54.21 2jrh s MET 45 Cb -0.16 -1.62 -0.01 0.00 -1.53 0.00 0.00 34.83 31.51 2jrh s MET 45 CO 0.06 -0.20 0.03 -0.97 -2.03 0.00 0.00 175.02 171.91 2jrh h ASN 46 N 7.90 -0.01 0.00 -1.18 -1.24 -1.81 -3.45 115.58 115.80 2jrh h ASN 46 Ca -0.31 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.67 2jrh h ASN 46 Cb 1.14 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.20 2jrh h ASN 46 CO 0.44 0.51 0.00 -3.20 -1.29 0.00 0.00 177.43 173.89 2jrh n ASN 47 N -4.78 -0.64 -0.04 1.15 4.05 -1.26 -4.97 115.26 108.76 2jrh n ASN 47 Ca -0.00 0.35 -0.01 0.00 0.45 0.00 0.00 54.58 55.36 2jrh n ASN 47 Cb 0.02 0.86 -0.11 0.00 1.23 0.00 0.00 39.78 41.78 2jrh n ASN 47 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2jrh n GLU 48 N -2.70 1.31 -4.64 1.20 1.02 -1.26 -5.00 120.64 110.56 2jrh n GLU 48 Ca 0.00 -0.05 -0.27 0.00 -0.02 0.00 0.00 57.16 56.82 2jrh n GLU 48 Cb 0.00 -1.34 -0.14 0.00 -0.02 0.00 0.00 31.44 29.94 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 -4.62 2.19 -0.08 -4.62 1.43 -1.26 -5.14 118.68 106.58 2jrh s LEU 49 Ca -0.06 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 52.52 2jrh s LEU 49 Cb 0.06 -1.05 -0.00 0.00 0.03 0.00 0.00 46.19 45.23 2jrh s LEU 49 CO 0.57 0.17 -0.23 -0.94 0.23 0.00 0.00 176.35 176.14 2jrh s SER 50 N -1.33 2.95 -0.06 2.29 1.04 -1.26 -2.57 113.70 114.76 2jrh s SER 50 Ca 0.09 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 56.04 2jrh s SER 50 Cb -0.09 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 64.96 2jrh s SER 50 CO 0.02 0.19 -0.15 -0.63 0.98 0.00 0.00 173.24 173.65 2jrh s ILE 51 N 0.10 1.33 -0.27 -1.02 1.09 -0.82 -5.03 121.20 116.58 2jrh s ILE 51 Ca -0.11 -0.62 -0.24 0.00 -1.10 0.00 0.00 60.65 58.58 2jrh s ILE 51 Cb -0.16 -1.17 -0.00 0.00 -1.06 0.00 0.00 42.46 40.07 2jrh s ILE 51 CO 0.06 0.39 0.82 -0.22 -0.10 0.00 0.00 174.94 175.89 2jrh s LEU 52 N 0.35 4.07 -0.41 2.97 1.98 -1.26 -3.12 118.68 123.26 2jrh s LEU 52 Ca -0.10 0.92 -0.27 0.00 -2.89 0.00 0.00 54.13 51.78 2jrh s LEU 52 Cb -0.14 -3.16 -0.03 0.00 0.66 0.00 0.00 46.19 43.52 2jrh s LEU 52 CO 0.03 -0.56 1.98 -0.76 -1.89 0.00 0.00 176.35 175.16 2jrh s LEU 53 N 2.91 3.42 -0.11 -0.68 1.43 -1.23 -4.76 118.68 119.67 2jrh s LEU 53 Ca 0.34 1.11 0.04 0.00 -1.03 0.00 0.00 54.13 54.60 2jrh s LEU 53 Cb -0.15 -3.09 -0.09 0.00 0.03 0.00 0.00 46.19 42.89 2jrh s LEU 53 CO 0.09 -2.12 -0.05 0.29 0.23 0.00 0.00 176.35 174.80 2jrh n LYS 54 N 8.77 1.21 -4.29 1.70 5.02 -1.26 -4.84 118.16 124.46 2jrh n LYS 54 Ca 0.26 0.04 -0.16 0.00 -2.02 0.00 0.00 58.31 56.42 2jrh n LYS 54 Cb 0.49 -1.24 -0.10 0.00 -0.02 0.00 0.00 35.03 34.17 2jrh n LYS 54 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2jrh s ASN 55 N -4.73 1.08 0.52 4.39 2.47 -1.26 -5.04 114.94 112.38 2jrh s ASN 55 Ca -0.11 -1.46 0.19 0.00 0.42 0.00 0.00 52.86 51.90 2jrh s ASN 55 Cb 0.04 0.31 1.32 0.00 -1.45 0.00 0.00 41.25 41.46 2jrh s ASN 55 CO 0.32 -0.82 2.10 -0.61 -3.72 0.00 0.00 177.10 174.36 2jrh h GLN 56 N 2.37 0.00 -0.72 0.43 5.75 -1.99 -2.11 115.11 118.84 2jrh h GLN 56 Ca -0.36 0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.21 2jrh h GLN 56 Cb 1.25 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.74 2jrh h GLN 56 CO 0.55 0.00 0.40 -0.44 -2.65 0.00 0.00 178.83 176.69 2jrh h ASP 57 N 0.00 0.59 0.14 -0.69 3.32 -2.00 -0.81 116.42 116.97 2jrh h ASP 57 Ca 0.08 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 2jrh h ASP 57 Cb 0.34 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2jrh h ASP 57 CO -0.00 0.37 -0.28 0.44 -1.72 0.00 0.00 179.24 178.04 2jrh h ASP 58 N 0.72 0.23 -0.32 6.45 3.32 -1.77 -2.33 116.42 122.73 2jrh h ASP 58 Ca 0.33 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 2jrh h ASP 58 Cb 0.24 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2jrh h ASP 58 CO -0.20 0.52 0.07 0.25 -1.72 0.00 0.00 179.24 178.16 2jrh h LEU 59 N 0.21 0.50 -0.83 1.55 5.85 -1.13 -2.52 115.31 118.93 2jrh h LEU 59 Ca 0.03 -0.24 -0.12 0.00 0.84 0.00 0.00 57.88 58.38 2jrh h LEU 59 Cb 0.62 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2jrh h LEU 59 CO 0.04 0.61 -0.52 -2.24 -0.34 0.00 0.00 178.44 176.00 2jrh h ASP 60 N 0.36 0.18 -0.64 1.25 3.04 -1.26 -2.98 116.42 116.37 2jrh h ASP 60 Ca 0.10 -0.09 -0.04 0.00 -3.24 0.00 0.00 57.03 53.76 2jrh h ASP 60 Cb 0.32 -0.05 -0.03 0.00 -1.04 0.00 0.00 39.33 38.52 2jrh h ASP 60 CO 0.00 0.67 0.27 0.11 -2.04 0.00 0.00 179.24 178.25 2jrh h LYS 61 N 0.13 0.98 -0.42 4.15 1.57 -1.27 -1.02 116.57 120.69 2jrh h LYS 61 Ca 0.00 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.55 2jrh h LYS 61 Cb 0.96 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 2jrh h LYS 61 CO 0.08 0.80 -0.02 0.00 -0.57 0.00 0.00 179.45 179.74 2jrh h ALA 62 N 1.33 0.57 -0.50 3.86 0.00 -1.31 -2.88 119.26 120.33 2jrh h ALA 62 Ca 0.23 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2jrh h ALA 62 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2jrh h ALA 62 CO -0.02 0.37 -0.01 0.82 0.00 0.00 0.00 179.25 180.41 2jrh h ILE 63 N 0.59 1.26 -0.59 0.00 1.08 -1.38 -2.40 117.51 116.07 2jrh h ILE 63 Ca 0.12 -1.10 0.08 0.00 -0.39 0.00 0.00 64.86 63.56 2jrh h ILE 63 Cb 0.51 0.97 -0.06 0.00 -3.07 0.00 0.00 36.82 35.17 2jrh h ILE 63 CO 0.03 0.39 0.26 -0.78 -0.69 0.00 0.00 178.15 177.35 2jrh h ASP 64 N 0.76 0.31 -0.53 1.72 1.82 -1.13 0.17 116.42 119.55 2jrh h ASP 64 Ca 0.14 0.06 -0.10 0.00 -0.39 0.00 0.00 57.03 56.74 2jrh h ASP 64 Cb 0.54 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.54 2jrh h ASP 64 CO 0.03 0.20 -0.06 0.40 -1.61 0.00 0.00 179.24 178.19 2jrh h ILE 65 N 0.47 1.26 -0.46 2.25 2.04 -1.42 -2.82 117.51 118.84 2jrh h ILE 65 Ca 0.28 -1.20 -0.04 0.00 1.00 0.00 0.00 64.86 64.90 2jrh h ILE 65 Cb 0.29 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2jrh h ILE 65 CO -0.25 0.43 0.11 0.25 0.00 0.00 0.00 178.15 178.69 2jrh h LEU 66 N 0.90 0.69 -0.78 1.44 5.85 -0.81 -2.84 115.31 119.76 2jrh h LEU 66 Ca 0.15 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.70 2jrh h LEU 66 Cb 0.61 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 2jrh h LEU 66 CO 0.04 0.74 0.47 -0.78 -0.34 0.00 0.00 178.44 178.57 2jrh h ASP 67 N 0.61 0.73 -0.05 1.25 1.82 -0.59 -1.26 116.42 118.92 2jrh h ASP 67 Ca 0.14 0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.77 2jrh h ASP 67 Cb 0.32 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.19 2jrh h ASP 67 CO 0.00 0.47 -0.04 0.03 -1.61 0.00 0.00 179.24 178.10 2jrh h ARG 68 N 0.86 0.24 -6.95 0.28 -0.00 -1.34 -3.43 114.38 104.04 2jrh h ARG 68 Ca 0.34 -0.04 -0.46 0.00 -0.50 0.00 0.00 59.98 59.32 2jrh h ARG 68 Cb 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.08 2jrh h ARG 68 CO -0.17 0.30 0.36 0.45 0.00 0.00 0.00 179.97 180.90 2jrh s SER 69 N -6.88 7.11 0.47 7.04 0.15 -0.48 -4.96 113.70 116.16 2jrh s SER 69 Ca -0.06 1.84 0.30 0.00 0.70 0.00 0.00 55.95 58.73 2jrh s SER 69 Cb 0.16 -2.57 1.16 0.00 -1.71 0.00 0.00 66.02 63.06 2jrh s SER 69 CO 0.72 -0.23 1.88 -1.28 1.20 0.00 0.00 173.24 175.53 2jrh h SER 70 N 2.70 0.00 -0.68 5.45 0.87 -1.83 -3.14 113.55 116.92 2jrh h SER 70 Ca -0.48 0.00 -0.44 0.00 -1.23 0.00 0.00 61.79 59.64 2jrh h SER 70 Cb 1.19 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.95 2jrh h SER 70 CO 0.63 0.00 0.57 -1.54 -0.53 0.00 0.00 176.83 175.96 2jrh n SER 71 N -2.89 6.34 -4.57 6.23 3.41 -1.26 -4.87 113.62 116.01 2jrh n SER 71 Ca 0.01 -3.30 -0.40 0.00 -0.26 0.00 0.00 58.87 54.93 2jrh n SER 71 Cb 0.32 -0.97 -0.02 0.00 -0.26 0.00 0.00 64.21 63.27 2jrh n SER 71 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2jrh s MET 72 N -2.53 3.60 0.26 4.33 0.00 -1.19 -4.34 119.30 119.42 2jrh s MET 72 Ca 0.43 -1.45 0.00 0.00 0.00 0.00 0.00 55.69 54.67 2jrh s MET 72 Cb 0.34 -5.41 0.00 0.00 0.00 0.00 0.00 34.83 29.76 2jrh s MET 72 CO 0.01 -2.47 0.00 1.63 0.00 0.00 0.00 175.02 174.18 2jrh n LYS 73 N 8.62 0.00 -4.10 4.11 5.02 -1.26 -5.03 118.16 125.52 2jrh n LYS 73 Ca 0.42 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.47 2jrh n LYS 73 Cb 0.48 -0.03 -0.07 0.00 -0.02 0.00 0.00 35.03 35.40 2jrh n LYS 73 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2jrh s SER 74 N -5.05 4.51 -0.03 4.39 1.04 -1.26 -4.03 113.70 113.28 2jrh s SER 74 Ca 0.00 -0.97 0.07 0.00 0.48 0.00 0.00 55.95 55.53 2jrh s SER 74 Cb 0.00 -0.55 -0.01 0.00 0.10 0.00 0.00 66.02 65.55 2jrh s SER 74 CO 0.00 -0.46 -0.22 -0.76 0.98 0.00 0.00 173.24 172.78 2jrh s LEU 75 N -3.89 2.03 -0.93 2.42 1.02 -1.18 -4.98 118.68 113.18 2jrh s LEU 75 Ca 0.40 -0.42 -0.14 0.00 0.02 0.00 0.00 54.13 53.99 2jrh s LEU 75 Cb 0.01 -1.17 0.21 0.00 0.02 0.00 0.00 46.19 45.26 2jrh s LEU 75 CO 0.23 0.26 0.94 -0.60 0.02 0.00 0.00 176.35 177.20 2jrh s ARG 76 N -0.42 3.75 -0.21 1.70 3.52 -1.26 -2.61 118.95 123.42 2jrh s ARG 76 Ca 0.06 -2.48 -0.00 0.00 -0.13 0.00 0.00 55.73 53.17 2jrh s ARG 76 Cb -0.10 -4.59 0.02 0.00 -1.56 0.00 0.00 34.95 28.72 2jrh s ARG 76 CO 0.00 -1.40 -0.14 0.42 -0.81 0.00 0.00 175.30 173.37 2jrh s ILE 77 N 0.47 2.45 -0.17 4.11 1.01 -1.21 -3.54 121.20 124.33 2jrh s ILE 77 Ca 0.25 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 2jrh s ILE 77 Cb -0.09 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 2jrh s ILE 77 CO -0.08 0.40 -0.02 -0.22 0.00 0.00 0.00 174.94 175.02 2jrh s LEU 78 N 1.31 3.29 -0.08 2.97 0.20 -0.16 -3.15 118.68 123.07 2jrh s LEU 78 Ca 0.03 -0.13 0.02 0.00 0.69 0.00 0.00 54.13 54.74 2jrh s LEU 78 Cb -0.15 -1.81 -0.02 0.00 -0.43 0.00 0.00 46.19 43.79 2jrh s LEU 78 CO -0.09 0.14 -0.13 -1.48 -0.29 0.00 0.00 176.35 174.50 2jrh s LEU 79 N 0.51 2.77 0.04 -0.68 0.05 -1.16 -1.21 118.68 119.00 2jrh s LEU 79 Ca -0.02 -0.22 0.02 0.00 0.05 0.00 0.00 54.13 53.96 2jrh s LEU 79 Cb -0.14 -1.59 -0.02 0.00 -2.05 0.00 0.00 46.19 42.39 2jrh s LEU 79 CO 0.02 0.29 -0.08 -0.76 -0.55 0.00 0.00 176.35 175.27 2jrh s LEU 80 N -0.37 2.21 0.45 1.48 1.02 -1.10 -4.61 118.68 117.77 2jrh s LEU 80 Ca 0.04 -0.47 -0.22 0.00 0.02 0.00 0.00 54.13 53.49 2jrh s LEU 80 Cb -0.12 -0.21 -0.08 0.00 0.02 0.00 0.00 46.19 45.80 2jrh s LEU 80 CO 0.02 -0.15 1.10 -0.94 0.02 0.00 0.00 176.35 176.40 2jrh s SER 81 N -1.33 6.35 0.00 2.29 1.04 -1.26 -2.44 113.70 118.35 2jrh s SER 81 Ca -0.07 2.12 0.20 0.00 0.48 0.00 0.00 55.95 58.68 2jrh s SER 81 Cb -0.09 -2.59 1.18 0.00 0.10 0.00 0.00 66.02 64.63 2jrh s SER 81 CO 0.00 -0.78 1.72 1.67 0.98 0.00 0.00 173.24 176.84 2jrh n GLN 82 N -0.53 0.94 -1.72 4.02 -0.06 -1.26 -4.93 117.38 113.83 2jrh n GLN 82 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.07 2jrh n GLN 82 Cb 0.50 -1.33 0.00 0.00 -4.06 0.00 0.00 30.24 25.35 2jrh n GLN 82 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 2jrh n ASP 83 N -0.83 -8.54 -0.91 1.69 2.03 -1.26 -5.02 116.55 103.71 2jrh n ASP 83 Ca 0.15 1.21 0.00 0.00 0.52 0.00 0.00 54.79 56.67 2jrh n ASP 83 Cb 0.07 -4.45 0.00 0.00 -0.72 0.00 0.00 41.12 36.01 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 0.74 -2.17 -4.09 -0.67 1.74 -1.26 -5.05 116.66 105.90 2jrh n ARG 84 Ca 0.00 1.68 -0.25 0.00 -0.77 0.00 0.00 57.85 58.51 2jrh n ARG 84 Cb 0.00 -1.70 -0.05 0.00 -1.02 0.00 0.00 32.46 29.69 2jrh n ARG 84 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2jrh s ASN 85 N -0.90 5.48 -0.46 0.55 4.22 -1.26 -5.08 114.94 117.49 2jrh s ASN 85 Ca 0.00 -0.16 -0.09 0.00 -2.14 0.00 0.00 52.86 50.47 2jrh s ASN 85 Cb 0.00 -1.41 0.11 0.00 1.28 0.00 0.00 41.25 41.23 2jrh s ASN 85 CO 0.00 0.05 0.33 -0.76 -2.04 0.00 0.00 177.10 174.68 2jrh s LEU 86 N -3.23 5.61 -0.47 3.54 1.02 -1.26 -4.91 118.68 118.99 2jrh s LEU 86 Ca 0.31 -1.88 0.06 0.00 0.02 0.00 0.00 54.13 52.64 2jrh s LEU 86 Cb -0.10 -2.00 0.29 0.00 0.02 0.00 0.00 46.19 44.41 2jrh s LEU 86 CO 0.23 -0.67 1.05 -1.84 0.02 0.00 0.00 176.35 175.14 2jrh n GLU 87 N 4.89 0.93 -1.08 1.70 0.28 -1.26 -5.16 120.64 120.94 2jrh n GLU 87 Ca -0.08 -1.85 -0.30 0.00 -0.16 0.00 0.00 57.16 54.78 2jrh n GLU 87 Cb 0.41 -1.16 0.16 0.00 1.43 0.00 0.00 31.44 32.27 2jrh n GLU 87 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 2jrh s HIS 88 N 0.41 2.13 0.01 -1.84 -3.43 -1.26 -5.04 115.29 106.26 2jrh s HIS 88 Ca 0.25 1.28 0.00 0.00 -0.80 0.00 0.00 55.06 55.80 2jrh s HIS 88 Cb 0.27 -3.17 0.00 0.00 -1.43 0.00 0.00 32.58 28.25 2jrh s HIS 88 CO -0.12 -2.63 0.00 1.58 -2.00 0.00 0.00 174.74 171.57 2jrh n HIS 89 N -4.05 -0.00 -3.46 0.38 -0.00 -1.26 -5.15 115.22 101.67 2jrh n HIS 89 Ca 0.07 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.11 2jrh n HIS 89 Cb 0.55 0.01 -0.03 0.00 -0.12 0.00 0.00 29.99 30.40 2jrh n HIS 89 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2jrh s HIS 90 N -1.05 -0.56 0.04 1.57 -3.43 -1.26 -5.19 115.29 105.41 2jrh s HIS 90 Ca 0.00 0.55 -0.27 0.00 -0.80 0.00 0.00 55.06 54.54 2jrh s HIS 90 Cb 0.00 0.50 0.08 0.00 -1.43 0.00 0.00 32.58 31.72 2jrh s HIS 90 CO 0.00 -0.77 0.68 -1.01 -2.00 0.00 0.00 174.74 171.65 2jrh s HIS 91 N -2.95 -0.56 0.45 0.38 3.76 -1.26 -5.16 115.29 109.95 2jrh s HIS 91 Ca -0.03 0.66 -0.23 0.00 -0.15 0.00 0.00 55.06 55.32 2jrh s HIS 91 Cb -0.01 0.49 -0.08 0.00 1.11 0.00 0.00 32.58 34.10 2jrh s HIS 91 CO -0.06 -0.69 1.13 -3.38 -0.85 0.00 0.00 174.74 170.89 2jrh s HIS 92 N -2.49 2.96 -2.70 1.40 -3.43 -1.26 -5.34 115.29 104.44 2jrh s HIS 92 Ca -0.04 1.56 0.26 0.00 -0.80 0.00 0.00 55.06 56.05 2jrh s HIS 92 Cb -0.01 -3.31 0.71 0.00 -1.43 0.00 0.00 32.58 28.55 2jrh s HIS 92 CO -0.02 -1.28 1.55 0.72 -2.00 0.00 0.00 174.74 173.71