#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 4.47 -0.21 2.61 1.04 -1.26 -4.97 113.70 115.38 2jrh s SER 2 Ca 0.00 -1.42 -0.05 0.00 0.48 0.00 0.00 55.95 54.97 2jrh s SER 2 Cb 0.00 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.70 2jrh s SER 2 CO 0.00 -1.07 0.10 -0.67 0.98 0.00 0.00 173.24 172.57 2jrh n ASP 3 N -1.64 -4.00 -4.68 7.02 2.03 -1.26 -4.94 116.55 109.08 2jrh n ASP 3 Ca -0.08 1.14 -0.42 0.00 0.52 0.00 0.00 54.79 55.94 2jrh n ASP 3 Cb 0.65 -4.50 -0.03 0.00 -0.72 0.00 0.00 41.12 36.52 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 -0.97 4.80 -0.34 5.18 1.01 0.19 -4.80 120.40 125.48 2jrh s VAL 4 Ca -0.11 1.95 -0.14 0.00 0.00 0.00 0.00 61.98 63.69 2jrh s VAL 4 Cb 0.01 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 2jrh s VAL 4 CO 0.64 0.01 0.28 -0.60 0.00 0.00 0.00 175.10 175.43 2jrh s ARG 5 N 2.05 3.53 -0.12 2.72 3.52 -1.26 -0.48 118.95 128.90 2jrh s ARG 5 Ca 0.46 -0.56 -0.02 0.00 -0.13 0.00 0.00 55.73 55.48 2jrh s ARG 5 Cb -0.18 -3.80 -0.03 0.00 -1.56 0.00 0.00 34.95 29.38 2jrh s ARG 5 CO 0.16 -0.46 -0.06 0.42 -0.81 0.00 0.00 175.30 174.55 2jrh s ILE 6 N 1.82 3.74 -0.34 4.11 1.09 -0.98 -2.56 121.20 128.07 2jrh s ILE 6 Ca 0.08 -0.44 -0.13 0.00 -1.10 0.00 0.00 60.65 59.07 2jrh s ILE 6 Cb -0.17 -2.59 -0.01 0.00 -1.06 0.00 0.00 42.46 38.63 2jrh s ILE 6 CO 0.11 0.54 0.23 -0.75 -0.10 0.00 0.00 174.94 174.97 2jrh s LYS 7 N -0.12 3.43 -0.21 2.79 2.47 -0.56 -3.23 119.74 124.31 2jrh s LYS 7 Ca 0.02 -0.69 -0.08 0.00 -1.56 0.00 0.00 55.97 53.66 2jrh s LYS 7 Cb -0.13 -3.79 -0.04 0.00 -1.46 0.00 0.00 37.83 32.41 2jrh s LYS 7 CO 0.03 -0.47 0.09 -0.06 0.16 0.00 0.00 175.35 175.10 2jrh s PHE 8 N 1.70 3.24 -0.15 4.03 0.08 -0.86 -2.76 117.98 123.26 2jrh s PHE 8 Ca 0.06 0.03 0.02 0.00 0.12 0.00 0.00 56.93 57.16 2jrh s PHE 8 Cb -0.17 -2.15 0.01 0.00 -0.57 0.00 0.00 43.02 40.13 2jrh s PHE 8 CO 0.10 0.05 -0.21 -2.00 -0.10 0.00 0.00 175.22 173.05 2jrh s GLU 9 N 0.75 2.96 -0.09 0.44 2.12 -1.20 -1.03 118.70 122.64 2jrh s GLU 9 Ca 0.05 -0.83 -0.03 0.00 0.36 0.00 0.00 54.97 54.52 2jrh s GLU 9 Cb -0.13 -2.43 0.04 0.00 0.26 0.00 0.00 34.13 31.87 2jrh s GLU 9 CO 0.02 -0.06 0.06 -1.58 -0.54 0.00 0.00 175.26 173.17 2jrh s HIS 10 N 0.92 0.21 -1.67 5.30 2.46 -0.58 -3.86 115.29 118.07 2jrh s HIS 10 Ca -0.05 -0.03 -0.02 0.00 0.47 0.00 0.00 55.06 55.44 2jrh s HIS 10 Cb -0.15 -0.61 0.00 0.00 -0.13 0.00 0.00 32.58 31.69 2jrh s HIS 10 CO -0.04 -0.33 0.20 -1.71 -2.47 0.00 0.00 174.74 170.39 2jrh n ASN 11 N 5.27 -5.86 0.00 9.88 2.85 -1.26 -1.54 115.26 124.60 2jrh n ASN 11 Ca -0.05 -0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.32 2jrh n ASN 11 Cb 0.50 -4.83 0.00 0.00 1.24 0.00 0.00 39.78 36.68 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 -1.17 2.90 3.76 8.20 0.00 -1.26 -5.03 105.19 112.59 2jrh n GLY 12 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 2jrh n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jrh s GLU 13 N -0.08 4.27 -0.10 1.61 2.12 -0.59 -5.02 118.70 120.91 2jrh s GLU 13 Ca 0.00 2.32 -0.01 0.00 0.36 0.00 0.00 54.97 57.64 2jrh s GLU 13 Cb 0.00 -3.07 -0.03 0.00 0.26 0.00 0.00 34.13 31.29 2jrh s GLU 13 CO 0.00 -0.36 -0.06 1.03 -0.54 0.00 0.00 175.26 175.32 2jrh s ARG 14 N -1.10 3.09 -0.03 4.30 0.52 -1.26 -1.53 118.95 122.95 2jrh s ARG 14 Ca 0.55 -0.55 0.03 0.00 -0.52 0.00 0.00 55.73 55.25 2jrh s ARG 14 Cb -0.42 -2.70 -0.00 0.00 0.52 0.00 0.00 34.95 32.35 2jrh s ARG 14 CO 0.49 0.50 -0.12 1.03 0.02 0.00 0.00 175.30 177.22 2jrh s ARG 15 N -0.35 1.21 -0.23 3.54 0.52 -0.20 -5.01 118.95 118.42 2jrh s ARG 15 Ca 0.05 -0.42 -0.02 0.00 -0.52 0.00 0.00 55.73 54.82 2jrh s ARG 15 Cb -0.12 -1.11 0.01 0.00 0.52 0.00 0.00 34.95 34.25 2jrh s ARG 15 CO 0.02 0.18 -0.07 0.42 0.02 0.00 0.00 175.30 175.88 2jrh s ILE 16 N 0.05 2.99 -0.02 1.52 1.09 -1.26 -2.04 121.20 123.53 2jrh s ILE 16 Ca -0.02 -0.82 0.03 0.00 -1.10 0.00 0.00 60.65 58.74 2jrh s ILE 16 Cb -0.09 -2.44 -0.00 0.00 -1.06 0.00 0.00 42.46 38.88 2jrh s ILE 16 CO 0.01 0.31 -0.10 -0.63 -0.10 0.00 0.00 174.94 174.43 2jrh s ILE 17 N 1.38 0.82 -0.17 2.92 1.01 -1.20 -5.05 121.20 120.91 2jrh s ILE 17 Ca 0.03 -0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.20 2jrh s ILE 17 Cb -0.15 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 2jrh s ILE 17 CO -0.05 0.25 0.10 0.00 0.00 0.00 0.00 174.94 175.24 2jrh s ALA 18 N 0.05 3.61 -0.10 9.38 0.00 -1.26 -2.33 121.76 131.10 2jrh s ALA 18 Ca -0.01 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.27 2jrh s ALA 18 Cb -0.07 -2.00 0.01 0.00 0.00 0.00 0.00 23.12 21.06 2jrh s ALA 18 CO 0.00 0.28 -0.16 -0.06 0.00 0.00 0.00 175.76 175.83 2jrh s PHE 19 N 0.01 1.99 0.59 0.00 0.08 0.36 -4.95 117.98 116.08 2jrh s PHE 19 Ca 0.08 -0.91 -0.16 0.00 0.12 0.00 0.00 56.93 56.06 2jrh s PHE 19 Cb -0.12 -1.42 -0.03 0.00 -0.57 0.00 0.00 43.02 40.88 2jrh s PHE 19 CO 0.00 -0.45 1.08 -1.12 -0.10 0.00 0.00 175.22 174.63 2jrh s SER 20 N 0.87 5.66 0.09 1.36 0.01 -1.26 0.57 113.70 121.00 2jrh s SER 20 Ca -0.09 1.91 -0.07 0.00 1.31 0.00 0.00 55.95 59.01 2jrh s SER 20 Cb -0.15 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.48 2jrh s SER 20 CO 0.00 -1.25 0.36 -0.13 0.41 0.00 0.00 173.24 172.63 2jrh s ARG 21 N -3.93 3.66 -0.11 12.44 0.52 -1.26 -2.67 118.95 127.60 2jrh s ARG 21 Ca 0.66 0.01 -0.30 0.00 -0.52 0.00 0.00 55.73 55.58 2jrh s ARG 21 Cb -0.18 -2.96 -0.01 0.00 0.52 0.00 0.00 34.95 32.32 2jrh s ARG 21 CO 0.35 0.54 1.09 -1.25 0.02 0.00 0.00 175.30 176.06 2jrh s PRO 22 N -2.18 4.36 0.05 3.54 0.04 -1.26 -5.02 135.00 134.54 2jrh s PRO 22 Ca 0.35 1.49 -0.31 0.00 0.04 0.00 0.00 61.00 62.58 2jrh s PRO 22 Cb -0.13 -3.58 -0.07 0.00 0.04 0.00 0.00 34.50 30.76 2jrh s PRO 22 CO 0.20 -0.44 1.43 0.54 0.04 0.00 0.00 177.00 178.78 2jrh s VAL 23 N 2.38 3.48 0.03 -0.36 0.11 -1.09 -5.02 120.40 119.93 2jrh s VAL 23 Ca 0.50 0.96 -0.00 0.00 -2.93 0.00 0.00 61.98 60.51 2jrh s VAL 23 Cb -0.20 -3.61 -0.04 0.00 -1.53 0.00 0.00 36.38 31.00 2jrh s VAL 23 CO 0.17 0.03 0.14 -0.54 -3.33 0.00 0.00 175.10 171.57 2jrh s LYS 24 N 1.97 3.24 0.24 1.54 -0.14 -1.26 -5.01 119.74 120.31 2jrh s LYS 24 Ca 0.65 -0.46 -0.07 0.00 -1.36 0.00 0.00 55.97 54.73 2jrh s LYS 24 Cb -0.34 -2.95 0.24 0.00 -1.68 0.00 0.00 37.83 33.10 2jrh s LYS 24 CO 0.29 0.63 1.91 -0.92 -0.76 0.00 0.00 175.35 176.49 2jrh h TYR 25 N 3.60 1.24 -0.46 3.18 5.03 -1.95 -1.93 116.97 125.68 2jrh h TYR 25 Ca -0.48 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 60.83 2jrh h TYR 25 Cb 1.17 -0.41 -0.02 0.00 1.55 0.00 0.00 36.73 39.02 2jrh h TYR 25 CO 0.63 0.80 0.23 1.49 -1.32 0.00 0.00 178.16 179.99 2jrh h GLU 26 N 1.32 0.66 -0.47 1.82 4.81 -1.98 0.85 114.58 121.59 2jrh h GLU 26 Ca 0.35 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 2jrh h GLU 26 Cb -0.11 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.13 2jrh h GLU 26 CO -0.07 0.55 0.20 0.22 -0.73 0.00 0.00 179.01 179.19 2jrh h ASP 27 N 0.60 0.63 -0.20 1.04 1.82 -1.89 0.23 116.42 118.65 2jrh h ASP 27 Ca 0.16 -0.15 -0.03 0.00 -0.39 0.00 0.00 57.03 56.62 2jrh h ASP 27 Cb 0.11 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 39.95 2jrh h ASP 27 CO -0.02 0.61 0.01 0.58 -1.61 0.00 0.00 179.24 178.81 2jrh h VAL 28 N 0.61 1.24 -0.64 2.25 2.07 -1.20 -2.78 116.25 117.81 2jrh h VAL 28 Ca 0.16 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 2jrh h VAL 28 Cb 0.16 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2jrh h VAL 28 CO -0.02 0.25 0.26 -0.08 0.02 0.00 0.00 177.57 178.01 2jrh h GLU 29 N 0.11 0.95 -0.76 1.57 4.81 -0.71 -1.77 114.58 118.78 2jrh h GLU 29 Ca 0.06 -0.17 0.07 0.00 -0.13 0.00 0.00 59.36 59.19 2jrh h GLU 29 Cb 0.36 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 2jrh h GLU 29 CO 0.01 0.79 0.43 1.25 -0.73 0.00 0.00 179.01 180.76 2jrh h HIS 30 N 0.89 0.79 -0.01 0.92 2.76 -0.48 0.49 115.15 120.51 2jrh h HIS 30 Ca 0.21 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.41 2jrh h HIS 30 Cb 0.19 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 28.91 2jrh h HIS 30 CO 0.01 0.36 -0.01 0.87 -1.30 0.00 0.00 177.93 177.86 2jrh h LYS 31 N 0.77 0.03 -0.77 5.26 1.57 -1.29 -2.57 116.57 119.56 2jrh h LYS 31 Ca 0.35 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.08 2jrh h LYS 31 Cb 0.25 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 2jrh h LYS 31 CO -0.21 0.54 0.37 0.28 -0.57 0.00 0.00 179.45 179.86 2jrh h VAL 32 N -0.48 1.25 -0.63 0.50 2.07 -1.08 -0.05 116.25 117.82 2jrh h VAL 32 Ca 0.00 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 2jrh h VAL 32 Cb 0.54 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2jrh h VAL 32 CO 0.00 0.29 0.33 0.74 0.02 0.00 0.00 177.57 178.96 2jrh h THR 33 N 1.09 1.20 -0.13 2.57 2.02 -0.08 0.33 112.91 119.92 2jrh h THR 33 Ca 0.27 -0.53 -0.12 0.00 0.77 0.00 0.00 66.41 66.79 2jrh h THR 33 Cb 0.12 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2jrh h THR 33 CO -0.03 0.23 -0.39 0.74 0.37 0.00 0.00 175.52 176.43 2jrh h THR 34 N 0.85 1.37 -0.12 3.16 2.02 -1.23 0.44 112.91 119.40 2jrh h THR 34 Ca 0.22 -1.69 -0.01 0.00 0.77 0.00 0.00 66.41 65.70 2jrh h THR 34 Cb 0.06 2.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 2jrh h THR 34 CO -0.03 0.51 0.05 0.58 0.37 0.00 0.00 175.52 176.99 2jrh h VAL 35 N 0.10 1.16 -0.66 3.16 2.07 -0.91 -3.19 116.25 117.98 2jrh h VAL 35 Ca -0.01 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2jrh h VAL 35 Cb 1.01 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2jrh h VAL 35 CO 0.08 0.15 0.00 0.49 0.02 0.00 0.00 177.57 178.31 2jrh n PHE 36 N -4.89 0.89 -0.65 1.57 3.72 0.10 -5.09 117.46 113.12 2jrh n PHE 36 Ca -0.05 -0.50 0.08 0.00 -0.05 0.00 0.00 57.45 56.93 2jrh n PHE 36 Cb 0.12 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 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 1.42 -2.02 3.30 1.37 0.00 0.15 -4.98 105.19 104.43 2jrh n GLY 37 Ca 0.22 -1.34 -0.18 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.22 1.20 0.32 1.61 -2.07 -1.22 -4.44 119.66 112.84 2jrh s GLN 38 Ca 0.00 -1.45 -0.09 0.00 -1.82 0.00 0.00 55.36 52.00 2jrh s GLN 38 Cb 0.00 -1.02 -0.06 0.00 -1.09 0.00 0.00 33.01 30.84 2jrh s GLN 38 CO 0.00 0.18 0.64 -1.25 -1.32 0.00 0.00 175.29 173.54 2jrh s PRO 39 N -3.29 3.75 0.07 9.60 0.04 -1.26 -5.06 135.00 138.84 2jrh s PRO 39 Ca 0.17 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.49 2jrh s PRO 39 Cb -0.02 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 2jrh s PRO 39 CO 0.05 0.15 -0.04 -0.51 0.04 0.00 0.00 177.00 176.68 2jrh s LEU 40 N -3.45 2.48 -0.09 -3.56 1.43 -1.26 -3.13 118.68 111.10 2jrh s LEU 40 Ca 0.48 -0.96 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 2jrh s LEU 40 Cb -0.11 0.08 -0.02 0.00 0.03 0.00 0.00 46.19 46.18 2jrh s LEU 40 CO 0.27 -0.52 -0.14 -1.81 0.23 0.00 0.00 176.35 174.38 2jrh s ASP 41 N -2.85 4.01 -0.49 2.29 1.01 -1.19 -4.98 116.67 114.48 2jrh s ASP 41 Ca 0.07 -0.26 -0.20 0.00 0.71 0.00 0.00 52.55 52.87 2jrh s ASP 41 Cb 0.06 -1.24 0.04 0.00 1.01 0.00 0.00 42.92 42.79 2jrh s ASP 41 CO -0.07 0.25 0.66 -0.76 0.21 0.00 0.00 175.17 175.46 2jrh s LEU 42 N -0.18 4.71 -0.13 1.23 1.43 -1.26 -3.62 118.68 120.85 2jrh s LEU 42 Ca -0.00 -0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 52.44 2jrh s LEU 42 Cb -0.13 -2.58 -0.01 0.00 0.03 0.00 0.00 46.19 43.49 2jrh s LEU 42 CO 0.03 -0.88 -0.12 -2.28 0.23 0.00 0.00 176.35 173.32 2jrh s HIS 43 N 2.83 2.83 -0.20 0.29 2.46 -0.94 -3.83 115.29 118.73 2jrh s HIS 43 Ca 0.19 -0.64 -0.05 0.00 0.47 0.00 0.00 55.06 55.03 2jrh s HIS 43 Cb -0.17 -1.86 -0.02 0.00 -0.13 0.00 0.00 32.58 30.40 2jrh s HIS 43 CO 0.15 -0.22 0.01 -0.47 -2.47 0.00 0.00 174.74 171.74 2jrh s TYR 44 N 0.39 3.05 -0.07 3.88 6.14 -0.50 -0.32 117.35 129.92 2jrh s TYR 44 Ca -0.10 -0.45 0.03 0.00 0.64 0.00 0.00 57.07 57.19 2jrh s TYR 44 Cb -0.16 -2.10 0.01 0.00 0.42 0.00 0.00 41.96 40.13 2jrh s TYR 44 CO 0.05 -0.25 -0.16 0.00 0.64 0.00 0.00 175.55 175.84 2jrh s MET 45 N 1.04 2.04 0.00 4.97 0.23 -1.11 -0.78 119.30 125.69 2jrh s MET 45 Ca 0.02 -0.56 0.00 0.00 -1.03 0.00 0.00 55.69 54.12 2jrh s MET 45 Cb -0.14 -1.65 0.00 0.00 -1.53 0.00 0.00 34.83 31.51 2jrh s MET 45 CO 0.02 0.10 0.00 -1.71 -2.03 0.00 0.00 175.02 171.40 2jrh n ASN 46 N 3.64 0.00 0.00 -1.18 2.85 -1.18 -4.61 115.26 114.77 2jrh n ASN 46 Ca -0.21 0.22 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2jrh n ASN 46 Cb 0.52 -0.43 0.00 0.00 1.24 0.00 0.00 39.78 41.11 2jrh n ASN 46 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2jrh n ASN 47 N -2.07 0.00 -0.26 1.20 3.02 -1.26 -4.95 115.26 110.94 2jrh n ASN 47 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.62 2jrh n ASN 47 Cb 0.00 0.04 0.13 0.00 -0.61 0.00 0.00 39.78 39.34 2jrh n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2jrh n GLU 48 N -2.22 2.14 -4.35 3.52 1.02 -1.26 -5.01 120.64 114.47 2jrh n GLU 48 Ca 0.00 -2.32 -0.19 0.00 -0.02 0.00 0.00 57.16 54.63 2jrh n GLU 48 Cb 0.00 -1.42 -0.14 0.00 -0.02 0.00 0.00 31.44 29.86 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 -2.26 2.12 -0.17 -4.62 1.43 -1.26 -5.14 118.68 108.77 2jrh s LEU 49 Ca 0.25 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 2jrh s LEU 49 Cb 0.21 -0.52 -0.02 0.00 0.03 0.00 0.00 46.19 45.89 2jrh s LEU 49 CO 0.04 0.05 -0.05 -0.94 0.23 0.00 0.00 176.35 175.68 2jrh s SER 50 N -0.80 4.52 -0.07 2.29 1.04 -1.26 -3.09 113.70 116.34 2jrh s SER 50 Ca 0.01 -0.25 0.04 0.00 0.48 0.00 0.00 55.95 56.24 2jrh s SER 50 Cb -0.06 -1.74 -0.00 0.00 0.10 0.00 0.00 66.02 64.31 2jrh s SER 50 CO 0.00 0.10 -0.21 -0.63 0.98 0.00 0.00 173.24 173.49 2jrh s ILE 51 N 0.74 1.77 -0.14 -1.02 1.09 0.04 -5.04 121.20 118.64 2jrh s ILE 51 Ca -0.02 -0.88 -0.06 0.00 -1.10 0.00 0.00 60.65 58.59 2jrh s ILE 51 Cb -0.15 -1.52 -0.04 0.00 -1.06 0.00 0.00 42.46 39.69 2jrh s ILE 51 CO 0.02 0.50 0.08 -0.22 -0.10 0.00 0.00 174.94 175.22 2jrh s LEU 52 N 0.18 4.01 -0.34 2.97 0.20 -1.26 -1.40 118.68 123.03 2jrh s LEU 52 Ca -0.10 0.25 -0.07 0.00 0.69 0.00 0.00 54.13 54.90 2jrh s LEU 52 Cb -0.15 -1.98 0.04 0.00 -0.43 0.00 0.00 46.19 43.66 2jrh s LEU 52 CO 0.05 0.30 0.11 -0.76 -0.29 0.00 0.00 176.35 175.76 2jrh s LEU 53 N -0.40 4.33 -0.23 -0.68 1.02 -1.25 -4.93 118.68 116.54 2jrh s LEU 53 Ca 0.10 -1.11 0.08 0.00 0.02 0.00 0.00 54.13 53.22 2jrh s LEU 53 Cb -0.12 -1.88 -0.20 0.00 0.02 0.00 0.00 46.19 44.02 2jrh s LEU 53 CO 0.02 -0.32 -0.11 0.29 0.02 0.00 0.00 176.35 176.24 2jrh n LYS 54 N 4.83 0.69 -4.47 1.70 5.02 -1.26 -4.84 118.16 119.83 2jrh n LYS 54 Ca -0.12 0.09 -0.23 0.00 -2.02 0.00 0.00 58.31 56.02 2jrh n LYS 54 Cb 0.45 -1.51 -0.09 0.00 -0.02 0.00 0.00 35.03 33.86 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 -6.05 2.46 0.43 4.39 2.47 -1.26 -5.04 114.94 112.33 2jrh s ASN 55 Ca -0.25 -1.53 0.13 0.00 0.42 0.00 0.00 52.86 51.63 2jrh s ASN 55 Cb 0.08 0.25 1.00 0.00 -1.45 0.00 0.00 41.25 41.12 2jrh s ASN 55 CO 0.67 -0.79 1.98 -0.61 -3.72 0.00 0.00 177.10 174.63 2jrh h GLN 56 N 1.98 0.43 -0.57 0.43 5.75 -1.99 -1.93 115.11 119.21 2jrh h GLN 56 Ca -0.38 -0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.18 2jrh h GLN 56 Cb 1.26 -0.10 -0.07 0.00 1.07 0.00 0.00 27.48 29.65 2jrh h GLN 56 CO 0.62 0.28 0.21 -0.44 -2.65 0.00 0.00 178.83 176.85 2jrh h ASP 57 N 0.44 0.21 -0.54 -0.69 5.19 -1.98 0.52 116.42 119.56 2jrh h ASP 57 Ca 0.27 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.74 2jrh h ASP 57 Cb 0.49 0.05 -0.03 0.00 0.18 0.00 0.00 39.33 40.03 2jrh h ASP 57 CO -0.08 0.14 0.28 0.44 -3.12 0.00 0.00 179.24 176.90 2jrh h ASP 58 N 0.39 0.69 -0.26 6.45 3.32 -1.72 -1.89 116.42 123.41 2jrh h ASP 58 Ca 0.28 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 57.08 2jrh h ASP 58 Cb 0.32 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2jrh h ASP 58 CO -0.28 0.60 -0.33 0.25 -1.72 0.00 0.00 179.24 177.76 2jrh h LEU 59 N 0.73 0.82 -0.62 1.55 5.85 -1.25 -2.48 115.31 119.90 2jrh h LEU 59 Ca 0.19 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2jrh h LEU 59 Cb 0.08 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 2jrh h LEU 59 CO -0.03 1.08 0.33 -0.78 -0.34 0.00 0.00 178.44 178.70 2jrh h ASP 60 N 0.65 0.78 0.04 1.25 1.82 0.26 -2.38 116.42 118.85 2jrh h ASP 60 Ca 0.07 -0.10 -0.10 0.00 -0.39 0.00 0.00 57.03 56.51 2jrh h ASP 60 Cb 0.87 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.67 2jrh h ASP 60 CO 0.08 0.66 -0.29 0.50 -1.61 0.00 0.00 179.24 178.57 2jrh h LYS 61 N 0.85 0.38 -0.48 0.28 1.63 -1.30 -2.87 116.57 115.06 2jrh h LYS 61 Ca 0.22 -0.15 -0.03 0.00 -0.85 0.00 0.00 60.65 59.84 2jrh h LYS 61 Cb 0.06 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 2jrh h LYS 61 CO -0.03 0.65 0.17 0.00 -3.45 0.00 0.00 179.45 176.78 2jrh h ALA 62 N 1.36 1.40 -0.32 5.00 0.00 -0.96 -2.25 119.26 123.49 2jrh h ALA 62 Ca 0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2jrh h ALA 62 Cb 0.69 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2jrh h ALA 62 CO 0.05 0.45 0.02 0.82 0.00 0.00 0.00 179.25 180.59 2jrh h ILE 63 N 0.68 1.25 -0.85 0.00 2.04 -1.25 -1.25 117.51 118.14 2jrh h ILE 63 Ca 0.16 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.13 2jrh h ILE 63 Cb 0.18 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 2jrh h ILE 63 CO -0.01 0.30 0.56 -0.78 0.00 0.00 0.00 178.15 178.21 2jrh h ASP 64 N 0.37 0.94 -0.44 1.72 1.82 -1.42 -1.52 116.42 117.89 2jrh h ASP 64 Ca 0.09 -0.01 -0.10 0.00 -0.39 0.00 0.00 57.03 56.62 2jrh h ASP 64 Cb 0.42 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.19 2jrh h ASP 64 CO 0.01 0.66 -0.13 0.40 -1.61 0.00 0.00 179.24 178.58 2jrh h ILE 65 N 1.10 1.27 -0.27 2.25 2.04 -1.27 -0.88 117.51 121.76 2jrh h ILE 65 Ca 0.33 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.95 2jrh h ILE 65 Cb -0.05 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2jrh h ILE 65 CO -0.10 0.42 0.18 0.25 0.00 0.00 0.00 178.15 178.91 2jrh h LEU 66 N 0.69 0.31 -0.76 1.44 5.85 -0.81 -0.71 115.31 121.32 2jrh h LEU 66 Ca 0.11 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 2jrh h LEU 66 Cb 0.67 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2jrh h LEU 66 CO 0.05 0.22 -0.23 -0.78 -0.34 0.00 0.00 178.44 177.36 2jrh h ASP 67 N 0.37 0.70 0.39 1.25 1.82 -1.26 -2.79 116.42 116.90 2jrh h ASP 67 Ca 0.10 -0.25 -0.05 0.00 -0.39 0.00 0.00 57.03 56.44 2jrh h ASP 67 Cb -0.04 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 39.77 2jrh h ASP 67 CO -0.02 0.92 -0.23 0.03 -1.61 0.00 0.00 179.24 178.32 2jrh h ARG 68 N 0.61 0.00 -7.00 0.28 2.47 -0.77 -3.45 114.38 106.52 2jrh h ARG 68 Ca 0.09 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.25 2jrh h ARG 68 Cb 0.71 0.00 0.15 0.00 -1.65 0.00 0.00 29.97 29.18 2jrh h ARG 68 CO 0.05 0.23 0.49 0.45 0.56 0.00 0.00 179.97 181.76 2jrh n SER 69 N -3.90 2.21 0.12 7.04 2.88 -0.31 -4.92 113.62 116.74 2jrh n SER 69 Ca -0.02 0.92 -0.02 0.00 -1.33 0.00 0.00 58.87 58.43 2jrh n SER 69 Cb 0.32 -1.53 0.18 0.00 -0.75 0.00 0.00 64.21 62.43 2jrh n SER 69 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2jrh h SER 70 N 1.10 0.11 -2.17 -3.46 4.64 -1.87 -3.39 113.55 108.51 2jrh h SER 70 Ca -0.50 -0.06 -0.48 0.00 -0.47 0.00 0.00 61.79 60.28 2jrh h SER 70 Cb 1.32 -0.03 -0.34 0.00 -0.31 0.00 0.00 62.40 63.04 2jrh h SER 70 CO 0.55 0.65 -0.81 -0.55 -0.87 0.00 0.00 176.83 175.80 2jrh s SER 71 N -6.88 1.49 -0.30 4.97 0.15 -1.26 -5.06 113.70 106.82 2jrh s SER 71 Ca -0.03 -2.26 -0.07 0.00 0.70 0.00 0.00 55.95 54.30 2jrh s SER 71 Cb 0.13 0.10 0.19 0.00 -1.71 0.00 0.00 66.02 64.72 2jrh s SER 71 CO 0.77 -0.22 0.93 -0.32 1.20 0.00 0.00 173.24 175.60 2jrh s MET 72 N 0.82 0.25 -0.22 5.44 0.00 -1.26 -5.04 119.30 119.29 2jrh s MET 72 Ca 0.24 0.26 0.09 0.00 0.00 0.00 0.00 55.69 56.28 2jrh s MET 72 Cb -0.10 0.12 -0.21 0.00 0.00 0.00 0.00 34.83 34.64 2jrh s MET 72 CO -0.07 -0.45 -0.03 0.36 0.00 0.00 0.00 175.02 174.82 2jrh n LYS 73 N 5.21 0.67 -3.82 4.11 2.85 -1.26 -4.49 118.16 121.44 2jrh n LYS 73 Ca 0.07 0.09 -0.23 0.00 -1.05 0.00 0.00 58.31 57.19 2jrh n LYS 73 Cb 0.56 -1.54 -0.02 0.00 -0.65 0.00 0.00 35.03 33.38 2jrh n LYS 73 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2jrh s SER 74 N -6.07 6.32 -0.17 -5.58 0.01 -1.26 -4.74 113.70 102.22 2jrh s SER 74 Ca -0.22 0.19 -0.18 0.00 1.31 0.00 0.00 55.95 57.05 2jrh s SER 74 Cb 0.08 -1.91 -0.04 0.00 0.21 0.00 0.00 66.02 64.35 2jrh s SER 74 CO 0.72 -0.10 0.49 -0.76 0.41 0.00 0.00 173.24 174.00 2jrh s LEU 75 N -3.92 4.19 -1.06 2.44 1.02 -1.06 -4.91 118.68 115.39 2jrh s LEU 75 Ca 0.36 0.72 -0.18 0.00 0.02 0.00 0.00 54.13 55.04 2jrh s LEU 75 Cb -0.09 -2.69 0.12 0.00 0.02 0.00 0.00 46.19 43.54 2jrh s LEU 75 CO 0.30 -0.11 1.34 -0.60 0.02 0.00 0.00 176.35 177.31 2jrh s ARG 76 N 1.24 3.76 -0.19 1.70 3.52 -1.26 -1.49 118.95 126.22 2jrh s ARG 76 Ca 0.24 -1.86 -0.07 0.00 -0.13 0.00 0.00 55.73 53.91 2jrh s ARG 76 Cb -0.15 -5.12 -0.04 0.00 -1.56 0.00 0.00 34.95 28.08 2jrh s ARG 76 CO 0.10 -1.92 0.06 0.42 -0.81 0.00 0.00 175.30 173.15 2jrh s ILE 77 N 3.07 4.70 -0.22 4.11 -1.09 -1.11 -2.75 121.20 127.91 2jrh s ILE 77 Ca 0.40 -0.06 -0.02 0.00 -2.23 0.00 0.00 60.65 58.74 2jrh s ILE 77 Cb -0.02 -3.13 0.01 0.00 -1.58 0.00 0.00 42.46 37.73 2jrh s ILE 77 CO -0.05 0.44 -0.08 -0.22 -1.23 0.00 0.00 174.94 173.79 2jrh s LEU 78 N 0.59 2.80 -0.14 2.97 0.20 0.56 -3.28 118.68 122.38 2jrh s LEU 78 Ca 0.03 -0.58 -0.04 0.00 0.69 0.00 0.00 54.13 54.24 2jrh s LEU 78 Cb -0.13 -1.66 -0.03 0.00 -0.43 0.00 0.00 46.19 43.94 2jrh s LEU 78 CO 0.01 -0.04 -0.02 -1.48 -0.29 0.00 0.00 176.35 174.53 2jrh s LEU 79 N 1.40 3.36 0.11 -0.68 2.34 -1.25 -2.22 118.68 121.74 2jrh s LEU 79 Ca 0.04 -0.06 0.08 0.00 0.06 0.00 0.00 54.13 54.25 2jrh s LEU 79 Cb -0.15 -1.80 -0.04 0.00 -0.56 0.00 0.00 46.19 43.64 2jrh s LEU 79 CO -0.06 0.21 -0.20 -1.48 -1.06 0.00 0.00 176.35 173.76 2jrh s LEU 80 N 0.12 2.33 0.51 1.48 0.05 -1.24 -4.69 118.68 117.24 2jrh s LEU 80 Ca 0.00 -0.72 -0.22 0.00 0.05 0.00 0.00 54.13 53.24 2jrh s LEU 80 Cb -0.13 -0.84 -0.06 0.00 -2.05 0.00 0.00 46.19 43.11 2jrh s LEU 80 CO 0.02 0.03 1.25 -0.94 -0.55 0.00 0.00 176.35 176.16 2jrh s SER 81 N -2.05 5.68 0.00 1.48 1.04 -1.26 -3.17 113.70 115.41 2jrh s SER 81 Ca 0.08 2.50 0.16 0.00 0.48 0.00 0.00 55.95 59.16 2jrh s SER 81 Cb -0.09 -2.61 0.80 0.00 0.10 0.00 0.00 66.02 64.21 2jrh s SER 81 CO 0.04 -1.27 1.53 1.67 0.98 0.00 0.00 173.24 176.20 2jrh n GLN 82 N -0.86 1.21 -1.55 4.02 -0.06 -1.18 -4.23 117.38 114.73 2jrh n GLN 82 Ca 0.09 -0.33 -0.29 0.00 -2.00 0.00 0.00 57.00 54.48 2jrh n GLN 82 Cb 0.47 -1.27 -0.05 0.00 -4.06 0.00 0.00 30.24 25.34 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 -0.41 6.62 -3.10 1.69 9.92 -1.26 -4.65 116.55 125.36 2jrh n ASP 83 Ca 0.12 -3.25 -0.32 0.00 -0.53 0.00 0.00 54.79 50.81 2jrh n ASP 83 Cb 0.13 -1.23 -0.01 0.00 -0.64 0.00 0.00 41.12 39.37 2jrh n ASP 83 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2jrh n ARG 84 N 0.83 3.92 -2.24 -1.24 0.63 -1.26 -5.01 116.66 112.28 2jrh n ARG 84 Ca 0.50 -4.67 -0.40 0.00 -0.92 0.00 0.00 57.85 52.35 2jrh n ARG 84 Cb 0.51 -2.31 -0.03 0.00 0.45 0.00 0.00 32.46 31.08 2jrh n ARG 84 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2jrh s ASN 85 N -2.66 5.76 -0.01 6.15 2.47 -1.26 -4.72 114.94 120.68 2jrh s ASN 85 Ca 0.46 0.29 -0.00 0.00 0.42 0.00 0.00 52.86 54.03 2jrh s ASN 85 Cb 0.28 -2.54 -0.00 0.00 -1.45 0.00 0.00 41.25 37.53 2jrh s ASN 85 CO -0.16 -2.00 -0.01 0.18 -3.72 0.00 0.00 177.10 171.39 2jrh n LEU 86 N 10.90 0.31 -4.78 3.21 4.32 -1.26 -5.04 117.00 124.66 2jrh n LEU 86 Ca 0.15 0.01 -0.38 0.00 -0.02 0.00 0.00 56.01 55.76 2jrh n LEU 86 Cb 0.50 -0.02 -0.06 0.00 -1.62 0.00 0.00 43.42 42.22 2jrh n LEU 86 CO 0.71 0.06 0.24 -0.70 -1.22 0.00 0.00 177.39 176.48 2jrh s GLU 87 N -2.01 4.23 -0.31 3.23 2.12 -1.26 -5.06 118.70 119.64 2jrh s GLU 87 Ca -0.01 0.65 -0.03 0.00 0.36 0.00 0.00 54.97 55.94 2jrh s GLU 87 Cb 0.00 -3.31 0.04 0.00 0.26 0.00 0.00 34.13 31.13 2jrh s GLU 87 CO 0.01 0.46 0.02 -1.58 -0.54 0.00 0.00 175.26 173.63 2jrh s HIS 88 N -0.44 3.24 -0.08 5.30 2.46 -1.26 -5.10 115.29 119.42 2jrh s HIS 88 Ca 0.29 -1.71 -0.03 0.00 0.47 0.00 0.00 55.06 54.07 2jrh s HIS 88 Cb -0.18 -2.15 -0.04 0.00 -0.13 0.00 0.00 32.58 30.09 2jrh s HIS 88 CO 0.16 -0.77 0.06 -1.01 -2.47 0.00 0.00 174.74 170.70 2jrh s HIS 89 N 1.30 3.31 -0.41 3.88 3.76 -1.26 -5.07 115.29 120.80 2jrh s HIS 89 Ca -0.04 0.29 0.05 0.00 -0.15 0.00 0.00 55.06 55.21 2jrh s HIS 89 Cb -0.19 -1.82 0.18 0.00 1.11 0.00 0.00 32.58 31.86 2jrh s HIS 89 CO -0.00 0.56 0.70 -1.58 -0.85 0.00 0.00 174.74 173.57 2jrh s HIS 90 N -1.00 -1.53 -0.50 1.40 2.46 -1.26 -5.02 115.29 109.85 2jrh s HIS 90 Ca 0.16 0.15 0.03 0.00 0.47 0.00 0.00 55.06 55.87 2jrh s HIS 90 Cb -0.12 0.28 0.56 0.00 -0.13 0.00 0.00 32.58 33.18 2jrh s HIS 90 CO 0.05 -1.06 1.86 1.58 -2.47 0.00 0.00 174.74 174.71 2jrh n HIS 91 N 4.16 2.86 -3.29 3.88 -0.00 -1.26 -4.77 115.22 116.79 2jrh n HIS 91 Ca 0.11 -2.24 -0.08 0.00 0.46 0.00 0.00 57.72 55.97 2jrh n HIS 91 Cb 0.58 -1.03 -0.05 0.00 -0.12 0.00 0.00 29.99 29.37 2jrh n HIS 91 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jrh s HIS 92 N -3.49 -1.01 -2.53 1.57 5.04 -1.26 -5.40 115.29 108.21 2jrh s HIS 92 Ca 0.58 0.09 0.20 0.00 -1.54 0.00 0.00 55.06 54.39 2jrh s HIS 92 Cb 0.48 -0.11 0.16 0.00 0.04 0.00 0.00 32.58 33.15 2jrh s HIS 92 CO 0.05 -1.02 1.14 1.58 -2.34 0.00 0.00 174.74 174.15