#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 -0.24 -0.27 1.69 0.15 -1.26 -5.04 113.70 108.72 2jrh s SER 2 Ca 0.00 0.25 -0.03 0.00 0.70 0.00 0.00 55.95 56.87 2jrh s SER 2 Cb 0.00 0.42 0.01 0.00 -1.71 0.00 0.00 66.02 64.74 2jrh s SER 2 CO 0.00 -0.37 0.06 -0.67 1.20 0.00 0.00 173.24 173.46 2jrh n ASP 3 N 1.66 -5.99 -4.68 5.45 -0.08 -1.26 -4.94 116.55 106.72 2jrh n ASP 3 Ca -0.19 1.37 -0.41 0.00 -1.51 0.00 0.00 54.79 54.05 2jrh n ASP 3 Cb 0.56 -5.19 -0.04 0.00 2.34 0.00 0.00 41.12 38.80 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 -1.35 4.89 -0.31 5.18 1.01 -0.40 -4.75 120.40 124.67 2jrh s VAL 4 Ca -0.07 1.65 -0.19 0.00 0.00 0.00 0.00 61.98 63.37 2jrh s VAL 4 Cb 0.00 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 2jrh s VAL 4 CO 0.76 0.05 0.54 -0.13 0.00 0.00 0.00 175.10 176.32 2jrh s ARG 5 N 2.00 3.86 -0.18 2.72 0.52 -1.26 -1.33 118.95 125.28 2jrh s ARG 5 Ca 0.39 0.13 -0.07 0.00 -0.52 0.00 0.00 55.73 55.66 2jrh s ARG 5 Cb -0.17 -3.73 -0.04 0.00 0.52 0.00 0.00 34.95 31.53 2jrh s ARG 5 CO 0.13 -0.52 0.06 0.42 0.02 0.00 0.00 175.30 175.42 2jrh s ILE 6 N 2.42 4.80 -0.29 1.52 1.01 0.28 -3.68 121.20 127.27 2jrh s ILE 6 Ca 0.21 -0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.78 2jrh s ILE 6 Cb -0.15 -3.16 0.02 0.00 0.01 0.00 0.00 42.46 39.17 2jrh s ILE 6 CO 0.11 0.47 0.04 -0.75 0.00 0.00 0.00 174.94 174.81 2jrh s LYS 7 N 0.30 2.96 0.06 2.79 2.36 -1.12 -1.05 119.74 126.04 2jrh s LYS 7 Ca 0.04 -0.93 0.06 0.00 -2.55 0.00 0.00 55.97 52.59 2jrh s LYS 7 Cb -0.12 -3.26 -0.04 0.00 -1.05 0.00 0.00 37.83 33.36 2jrh s LYS 7 CO 0.00 -0.45 -0.12 -0.59 1.55 0.00 0.00 175.35 175.74 2jrh s PHE 8 N 1.44 2.73 0.03 4.03 -0.12 -0.08 -2.63 117.98 123.37 2jrh s PHE 8 Ca 0.01 -0.15 0.07 0.00 -0.05 0.00 0.00 56.93 56.81 2jrh s PHE 8 Cb -0.17 -1.49 -0.02 0.00 -0.63 0.00 0.00 43.02 40.71 2jrh s PHE 8 CO 0.00 0.36 -0.21 -1.21 -0.05 0.00 0.00 175.22 174.12 2jrh s GLU 9 N -1.77 1.45 -0.15 1.99 2.02 -0.63 -0.70 118.70 120.91 2jrh s GLU 9 Ca 0.18 -0.90 -0.04 0.00 0.02 0.00 0.00 54.97 54.22 2jrh s GLU 9 Cb -0.11 -1.53 0.06 0.00 0.10 0.00 0.00 34.13 32.65 2jrh s GLU 9 CO 0.09 0.40 0.09 -1.58 0.02 0.00 0.00 175.26 174.29 2jrh s HIS 10 N -0.74 0.13 -1.40 1.61 5.65 0.14 -1.78 115.29 118.91 2jrh s HIS 10 Ca 0.08 -0.17 -0.06 0.00 0.25 0.00 0.00 55.06 55.16 2jrh s HIS 10 Cb -0.09 -0.63 0.03 0.00 -1.18 0.00 0.00 32.58 30.72 2jrh s HIS 10 CO 0.01 -0.46 0.46 0.09 -0.65 0.00 0.00 174.74 174.20 2jrh n ASN 11 N 5.29 -4.86 0.00 9.88 3.02 -1.26 -1.71 115.26 125.61 2jrh n ASN 11 Ca -0.06 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 2jrh n ASN 11 Cb 0.49 -3.99 0.00 0.00 -0.61 0.00 0.00 39.78 35.68 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 -1.27 3.09 3.75 7.41 0.00 -1.26 -5.05 105.19 111.85 2jrh n GLY 12 Ca -0.08 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 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 4.24 0.18 1.61 8.01 -0.69 -5.02 118.70 127.03 2jrh s GLU 13 Ca 0.00 2.35 0.09 0.00 0.01 0.00 0.00 54.97 57.42 2jrh s GLU 13 Cb 0.00 -3.09 -0.04 0.00 -4.31 0.00 0.00 34.13 26.69 2jrh s GLU 13 CO 0.00 -0.44 -0.11 -0.98 0.01 0.00 0.00 175.26 173.73 2jrh s ARG 14 N -0.52 1.99 -0.16 1.61 1.70 -1.26 0.25 118.95 122.55 2jrh s ARG 14 Ca 0.59 -1.29 -0.13 0.00 -0.47 0.00 0.00 55.73 54.44 2jrh s ARG 14 Cb -0.43 -2.13 0.05 0.00 -0.57 0.00 0.00 34.95 31.87 2jrh s ARG 14 CO 0.45 0.43 0.42 1.03 -1.08 0.00 0.00 175.30 176.56 2jrh s ARG 15 N -2.76 0.46 -0.16 3.89 1.81 0.12 -4.99 118.95 117.32 2jrh s ARG 15 Ca 0.24 0.67 -0.01 0.00 -1.72 0.00 0.00 55.73 54.91 2jrh s ARG 15 Cb -0.09 0.15 -0.01 0.00 -0.45 0.00 0.00 34.95 34.55 2jrh s ARG 15 CO 0.14 -0.09 -0.12 0.42 -0.68 0.00 0.00 175.30 174.97 2jrh s ILE 16 N 0.65 2.99 -0.05 1.52 1.01 -1.26 -0.90 121.20 125.16 2jrh s ILE 16 Ca -0.03 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 59.97 2jrh s ILE 16 Cb -0.05 -2.28 0.01 0.00 0.01 0.00 0.00 42.46 40.15 2jrh s ILE 16 CO -0.04 0.50 -0.10 -0.63 0.00 0.00 0.00 174.94 174.67 2jrh s ILE 17 N 0.72 0.94 -0.11 2.92 -1.09 -0.22 -4.97 121.20 119.38 2jrh s ILE 17 Ca -0.06 -0.38 -0.13 0.00 -2.23 0.00 0.00 60.65 57.85 2jrh s ILE 17 Cb -0.15 -0.87 -0.05 0.00 -1.58 0.00 0.00 42.46 39.81 2jrh s ILE 17 CO 0.02 0.31 0.31 0.00 -1.23 0.00 0.00 174.94 174.35 2jrh s ALA 18 N 0.62 3.65 -0.11 9.38 0.00 -1.26 -0.56 121.76 133.49 2jrh s ALA 18 Ca -0.12 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.45 2jrh s ALA 18 Cb -0.14 -2.35 0.02 0.00 0.00 0.00 0.00 23.12 20.65 2jrh s ALA 18 CO 0.02 0.26 -0.13 -0.06 0.00 0.00 0.00 175.76 175.86 2jrh s PHE 19 N -0.13 1.77 0.42 0.00 0.08 -0.44 -4.96 117.98 114.71 2jrh s PHE 19 Ca 0.19 -0.84 -0.20 0.00 0.12 0.00 0.00 56.93 56.20 2jrh s PHE 19 Cb -0.14 -1.33 -0.11 0.00 -0.57 0.00 0.00 43.02 40.88 2jrh s PHE 19 CO 0.07 -0.47 0.92 0.45 -0.10 0.00 0.00 175.22 176.08 2jrh s SER 20 N 1.18 6.90 0.26 1.36 0.15 -1.26 -1.28 113.70 121.00 2jrh s SER 20 Ca -0.04 1.62 -0.08 0.00 0.70 0.00 0.00 55.95 58.16 2jrh s SER 20 Cb -0.14 -2.51 -0.06 0.00 -1.71 0.00 0.00 66.02 61.59 2jrh s SER 20 CO -0.04 -0.35 0.55 -0.13 1.20 0.00 0.00 173.24 174.48 2jrh s ARG 21 N -3.20 3.72 0.07 5.44 3.00 -1.26 -3.54 118.95 123.18 2jrh s ARG 21 Ca 0.61 0.16 -0.30 0.00 0.00 0.00 0.00 55.73 56.19 2jrh s ARG 21 Cb -0.09 -2.65 -0.05 0.00 0.00 0.00 0.00 34.95 32.16 2jrh s ARG 21 CO 0.15 0.27 1.12 -1.25 0.00 0.00 0.00 175.30 175.58 2jrh s PRO 22 N -3.14 4.50 -0.15 3.54 0.04 -1.26 -5.01 135.00 133.52 2jrh s PRO 22 Ca 0.46 1.66 0.02 0.00 0.04 0.00 0.00 61.00 63.18 2jrh s PRO 22 Cb -0.11 -3.36 0.01 0.00 0.04 0.00 0.00 34.50 31.08 2jrh s PRO 22 CO 0.25 -0.13 -0.21 0.54 0.04 0.00 0.00 177.00 177.49 2jrh s VAL 23 N 0.76 2.07 0.23 -0.36 0.11 -1.23 -5.12 120.40 116.85 2jrh s VAL 23 Ca 0.55 -0.97 -0.08 0.00 -2.93 0.00 0.00 61.98 58.55 2jrh s VAL 23 Cb -0.27 -1.83 -0.06 0.00 -1.53 0.00 0.00 36.38 32.68 2jrh s VAL 23 CO 0.30 0.55 0.53 -0.54 -3.33 0.00 0.00 175.10 172.60 2jrh s LYS 24 N 0.95 3.74 0.32 1.54 1.02 -1.26 -5.00 119.74 121.05 2jrh s LYS 24 Ca -0.04 0.16 0.02 0.00 0.02 0.00 0.00 55.97 56.13 2jrh s LYS 24 Cb -0.15 -2.67 0.54 0.00 -0.52 0.00 0.00 37.83 35.03 2jrh s LYS 24 CO -0.05 0.31 1.90 -0.92 -0.92 0.00 0.00 175.35 175.67 2jrh h TYR 25 N 2.38 0.74 -0.43 3.18 3.20 -1.98 -2.32 116.97 121.74 2jrh h TYR 25 Ca -0.47 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.33 2jrh h TYR 25 Cb 1.17 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 2jrh h TYR 25 CO 0.61 0.59 0.16 0.93 -1.64 0.00 0.00 178.16 178.81 2jrh h GLU 26 N 0.72 0.64 -0.44 1.82 5.08 -1.98 0.15 114.58 120.58 2jrh h GLU 26 Ca 0.17 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2jrh h GLU 26 Cb 0.18 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2jrh h GLU 26 CO -0.01 0.60 0.15 0.22 -1.00 0.00 0.00 179.01 178.97 2jrh h ASP 27 N 0.54 0.62 -0.12 1.42 3.58 -1.90 0.32 116.42 120.88 2jrh h ASP 27 Ca 0.14 -0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.37 2jrh h ASP 27 Cb 0.20 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.09 2jrh h ASP 27 CO -0.01 0.64 -0.04 0.58 -2.88 0.00 0.00 179.24 177.53 2jrh h VAL 28 N 0.56 1.30 -0.44 2.25 2.07 -1.32 -2.75 116.25 117.92 2jrh h VAL 28 Ca 0.14 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 2jrh h VAL 28 Cb 0.23 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 2jrh h VAL 28 CO -0.01 0.29 0.17 -0.08 0.02 0.00 0.00 177.57 177.96 2jrh h GLU 29 N -0.08 0.66 -0.95 1.57 4.81 -0.65 -2.81 114.58 117.13 2jrh h GLU 29 Ca 0.03 -0.12 0.09 0.00 -0.13 0.00 0.00 59.36 59.22 2jrh h GLU 29 Cb 0.47 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.68 2jrh h GLU 29 CO 0.01 0.61 0.61 1.25 -0.73 0.00 0.00 179.01 180.77 2jrh h HIS 30 N 0.56 1.08 -0.18 0.92 2.76 -0.38 0.12 115.15 120.03 2jrh h HIS 30 Ca 0.14 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.33 2jrh h HIS 30 Cb 0.21 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 2jrh h HIS 30 CO 0.00 0.51 0.05 -0.22 -1.30 0.00 0.00 177.93 176.98 2jrh h LYS 31 N 1.01 0.28 -0.77 5.26 3.64 -1.28 -2.61 116.57 122.12 2jrh h LYS 31 Ca 0.43 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.70 2jrh h LYS 31 Cb 0.32 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 2jrh h LYS 31 CO -0.19 0.40 0.28 0.28 -2.27 0.00 0.00 179.45 177.95 2jrh h VAL 32 N 0.11 1.26 -0.94 2.00 2.07 -1.15 -1.89 116.25 117.71 2jrh h VAL 32 Ca 0.06 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.75 2jrh h VAL 32 Cb 0.23 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 2jrh h VAL 32 CO -0.00 0.34 0.62 0.71 0.02 0.00 0.00 177.57 179.26 2jrh h THR 33 N 1.12 1.20 -0.07 2.57 1.35 -0.89 -0.59 112.91 117.59 2jrh h THR 33 Ca 0.25 -0.42 -0.16 0.00 -0.55 0.00 0.00 66.41 65.53 2jrh h THR 33 Cb 0.25 -0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 66.52 2jrh h THR 33 CO -0.02 0.22 -0.64 0.74 -0.25 0.00 0.00 175.52 175.58 2jrh h THR 34 N 1.23 1.39 0.19 6.82 2.02 -1.21 0.47 112.91 123.81 2jrh h THR 34 Ca 0.36 -2.05 -0.01 0.00 0.77 0.00 0.00 66.41 65.48 2jrh h THR 34 Cb -0.07 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2jrh h THR 34 CO -0.10 0.61 -0.09 0.58 0.37 0.00 0.00 175.52 176.89 2jrh h VAL 35 N 0.20 0.91 -0.68 3.16 2.07 -0.65 -3.29 116.25 117.97 2jrh h VAL 35 Ca -0.01 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2jrh h VAL 35 Cb 1.17 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 2jrh h VAL 35 CO 0.10 0.17 0.00 0.49 0.02 0.00 0.00 177.57 178.35 2jrh n PHE 36 N -5.03 0.91 -0.60 1.57 3.72 -0.29 -5.08 117.46 112.65 2jrh n PHE 36 Ca -0.09 -0.45 0.08 0.00 -0.05 0.00 0.00 57.45 56.94 2jrh n PHE 36 Cb 0.25 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.76 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 1.65 -1.78 3.37 1.37 0.00 0.16 -4.99 105.19 104.98 2jrh n GLY 37 Ca 0.24 -1.36 -0.21 0.00 0.00 0.00 0.00 46.02 44.69 2jrh n GLY 37 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jrh s GLN 38 N -1.87 1.41 0.31 1.61 -0.21 -1.24 -4.45 119.66 115.22 2jrh s GLN 38 Ca 0.00 -1.58 -0.08 0.00 0.02 0.00 0.00 55.36 53.72 2jrh s GLN 38 Cb 0.00 -1.36 -0.06 0.00 1.00 0.00 0.00 33.01 32.59 2jrh s GLN 38 CO 0.00 0.25 0.62 -1.25 -2.12 0.00 0.00 175.29 172.79 2jrh s PRO 39 N -3.36 3.72 0.02 2.91 0.04 -1.26 -5.08 135.00 132.00 2jrh s PRO 39 Ca 0.22 0.21 0.01 0.00 0.04 0.00 0.00 61.00 61.49 2jrh s PRO 39 Cb -0.03 -2.57 -0.02 0.00 0.04 0.00 0.00 34.50 31.92 2jrh s PRO 39 CO 0.09 0.17 -0.04 -0.51 0.04 0.00 0.00 177.00 176.74 2jrh s LEU 40 N -3.45 2.21 -0.18 -3.56 1.43 -1.26 -3.77 118.68 110.10 2jrh s LEU 40 Ca 0.47 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 53.12 2jrh s LEU 40 Cb -0.11 -0.01 -0.00 0.00 0.03 0.00 0.00 46.19 46.10 2jrh s LEU 40 CO 0.28 -0.22 -0.12 -1.81 0.23 0.00 0.00 176.35 174.71 2jrh s ASP 41 N -1.26 3.83 -0.62 2.29 1.01 -0.59 -4.98 116.67 116.35 2jrh s ASP 41 Ca -0.11 -0.45 -0.23 0.00 0.71 0.00 0.00 52.55 52.47 2jrh s ASP 41 Cb -0.08 -1.61 0.06 0.00 1.01 0.00 0.00 42.92 42.29 2jrh s ASP 41 CO -0.00 0.05 0.92 -0.76 0.21 0.00 0.00 175.17 175.59 2jrh s LEU 42 N 1.02 4.38 -0.25 1.23 1.43 -1.26 -2.31 118.68 122.93 2jrh s LEU 42 Ca -0.01 -0.83 -0.14 0.00 -1.03 0.00 0.00 54.13 52.13 2jrh s LEU 42 Cb -0.15 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 2jrh s LEU 42 CO -0.02 -1.33 0.32 -2.28 0.23 0.00 0.00 176.35 173.27 2jrh s HIS 43 N 3.88 3.28 -0.27 0.29 2.46 -0.25 -3.11 115.29 121.57 2jrh s HIS 43 Ca 0.23 0.39 -0.09 0.00 0.47 0.00 0.00 55.06 56.07 2jrh s HIS 43 Cb -0.16 -2.49 -0.03 0.00 -0.13 0.00 0.00 32.58 29.77 2jrh s HIS 43 CO 0.13 -0.12 0.12 -0.47 -2.47 0.00 0.00 174.74 171.92 2jrh s TYR 44 N 1.70 3.14 -0.13 3.88 6.14 0.21 0.52 117.35 132.80 2jrh s TYR 44 Ca 0.14 -0.33 -0.15 0.00 0.64 0.00 0.00 57.07 57.36 2jrh s TYR 44 Cb -0.15 -2.30 -0.05 0.00 0.42 0.00 0.00 41.96 39.89 2jrh s TYR 44 CO 0.09 -0.33 0.37 -1.64 0.64 0.00 0.00 175.55 174.67 2jrh s MET 45 N 1.65 4.25 -0.16 4.97 -1.94 -1.12 0.07 119.30 127.02 2jrh s MET 45 Ca 0.06 0.25 -0.26 0.00 -1.71 0.00 0.00 55.69 54.03 2jrh s MET 45 Cb -0.16 -3.41 -0.23 0.00 2.01 0.00 0.00 34.83 33.04 2jrh s MET 45 CO 0.06 0.25 0.60 -0.91 -0.01 0.00 0.00 175.02 175.01 2jrh h ASN 46 N 6.52 0.00 0.00 3.03 4.21 -1.78 -3.44 115.58 124.11 2jrh h ASN 46 Ca -0.42 -0.84 0.00 0.00 1.21 0.00 0.00 56.30 56.25 2jrh h ASN 46 Cb 1.17 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.37 2jrh h ASN 46 CO 0.74 1.10 0.00 0.59 -1.29 0.00 0.00 177.43 178.58 2jrh n ASN 47 N -4.57 -1.11 -0.06 5.81 3.02 -1.26 -4.98 115.26 112.12 2jrh n ASN 47 Ca -0.15 0.44 -0.05 0.00 -0.03 0.00 0.00 54.58 54.79 2jrh n ASN 47 Cb 0.51 1.29 -0.10 0.00 -0.61 0.00 0.00 39.78 40.87 2jrh n ASN 47 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2jrh n GLU 48 N -2.73 1.72 -4.06 3.52 2.13 -1.26 -5.03 120.64 114.93 2jrh n GLU 48 Ca 0.00 -0.02 -0.22 0.00 0.66 0.00 0.00 57.16 57.58 2jrh n GLU 48 Cb 0.00 -1.33 -0.05 0.00 0.27 0.00 0.00 31.44 30.32 2jrh n GLU 48 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2jrh s LEU 49 N -4.86 3.46 -0.19 4.31 1.43 -1.26 -5.12 118.68 116.46 2jrh s LEU 49 Ca -0.06 -0.56 -0.04 0.00 -1.03 0.00 0.00 54.13 52.44 2jrh s LEU 49 Cb 0.04 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 2jrh s LEU 49 CO 0.54 -0.20 -0.04 -0.44 0.23 0.00 0.00 176.35 176.44 2jrh s SER 50 N -3.85 4.58 -0.10 2.29 0.01 -1.26 -2.49 113.70 112.88 2jrh s SER 50 Ca 0.36 -0.25 0.03 0.00 1.31 0.00 0.00 55.95 57.40 2jrh s SER 50 Cb -0.05 -1.77 -0.01 0.00 0.21 0.00 0.00 66.02 64.40 2jrh s SER 50 CO 0.24 0.08 -0.18 -0.63 0.41 0.00 0.00 173.24 173.16 2jrh s ILE 51 N 0.89 2.63 -0.19 1.44 -1.09 0.11 -4.98 121.20 120.01 2jrh s ILE 51 Ca -0.00 -0.83 -0.15 0.00 -2.23 0.00 0.00 60.65 57.43 2jrh s ILE 51 Cb -0.15 -2.05 -0.04 0.00 -1.58 0.00 0.00 42.46 38.65 2jrh s ILE 51 CO 0.01 0.55 0.37 -0.22 -1.23 0.00 0.00 174.94 174.43 2jrh s LEU 52 N 0.07 4.18 0.04 2.97 2.96 -1.26 0.68 118.68 128.31 2jrh s LEU 52 Ca -0.08 0.52 -0.30 0.00 -0.22 0.00 0.00 54.13 54.05 2jrh s LEU 52 Cb -0.15 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 2jrh s LEU 52 CO 0.05 -0.03 0.98 -0.76 -1.32 0.00 0.00 176.35 175.27 2jrh s LEU 53 N 1.09 4.42 -0.15 -0.68 1.43 -1.18 -4.94 118.68 118.66 2jrh s LEU 53 Ca 0.19 1.71 0.03 0.00 -1.03 0.00 0.00 54.13 55.03 2jrh s LEU 53 Cb -0.14 -3.58 -0.11 0.00 0.03 0.00 0.00 46.19 42.39 2jrh s LEU 53 CO 0.07 -0.19 -0.11 0.29 0.23 0.00 0.00 176.35 176.64 2jrh n LYS 54 N 3.50 0.65 -1.96 1.70 4.76 -1.26 -4.85 118.16 120.69 2jrh n LYS 54 Ca 0.05 0.07 -0.03 0.00 -2.87 0.00 0.00 58.31 55.53 2jrh n LYS 54 Cb 0.50 -1.31 -0.00 0.00 -1.84 0.00 0.00 35.03 32.38 2jrh n LYS 54 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2jrh n ASN 55 N -2.87 -0.40 -0.21 4.39 0.23 -1.26 -5.03 115.26 110.11 2jrh n ASN 55 Ca -0.26 -1.42 0.09 0.00 -0.53 0.00 0.00 54.58 52.46 2jrh n ASN 55 Cb 0.81 0.71 0.38 0.00 -2.08 0.00 0.00 39.78 39.60 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 0.67 -0.66 -3.83 5.75 -1.98 -1.64 115.11 113.42 2jrh h GLN 56 Ca -0.07 -0.04 0.10 0.00 -0.15 0.00 0.00 58.65 58.49 2jrh h GLN 56 Cb 0.29 -0.15 -0.08 0.00 1.07 0.00 0.00 27.48 28.61 2jrh h GLN 56 CO 0.09 0.45 0.28 -0.44 -2.65 0.00 0.00 178.83 176.55 2jrh h ASP 57 N 0.69 0.30 -0.22 -0.69 5.19 -1.99 0.37 116.42 120.08 2jrh h ASP 57 Ca 0.37 0.08 -0.08 0.00 -0.62 0.00 0.00 57.03 56.78 2jrh h ASP 57 Cb 0.49 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.02 2jrh h ASP 57 CO -0.14 0.17 -0.10 0.44 -3.12 0.00 0.00 179.24 176.49 2jrh h ASP 58 N 0.47 0.58 -0.05 6.45 5.19 -1.70 -2.45 116.42 124.90 2jrh h ASP 58 Ca 0.34 -0.15 -0.20 0.00 -0.62 0.00 0.00 57.03 56.39 2jrh h ASP 58 Cb 0.41 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.77 2jrh h ASP 58 CO -0.31 0.72 -0.71 0.25 -3.12 0.00 0.00 179.24 176.06 2jrh h LEU 59 N 0.55 0.81 -0.57 1.55 5.85 -0.89 -2.63 115.31 119.98 2jrh h LEU 59 Ca 0.10 -0.51 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 2jrh h LEU 59 Cb 0.50 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 2jrh h LEU 59 CO 0.03 1.28 0.28 0.44 -0.34 0.00 0.00 178.44 180.13 2jrh h ASP 60 N 0.49 0.75 0.39 1.25 3.32 -0.12 -2.42 116.42 120.07 2jrh h ASP 60 Ca -0.03 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.79 2jrh h ASP 60 Cb 1.32 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 2jrh h ASP 60 CO 0.14 0.66 -0.45 0.07 -1.72 0.00 0.00 179.24 177.94 2jrh h LYS 61 N 0.78 0.07 -0.76 3.56 2.10 -1.48 -3.00 116.57 117.85 2jrh h LYS 61 Ca 0.20 -0.04 -0.05 0.00 -2.00 0.00 0.00 60.65 58.76 2jrh h LYS 61 Cb 0.11 -0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.41 2jrh h LYS 61 CO -0.03 0.51 0.29 0.00 -2.00 0.00 0.00 179.45 178.23 2jrh h ALA 62 N 1.48 1.09 -0.75 0.07 0.00 -1.05 -2.75 119.26 117.35 2jrh h ALA 62 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2jrh h ALA 62 Cb 0.82 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2jrh h ALA 62 CO 0.06 0.64 0.32 0.82 0.00 0.00 0.00 179.25 181.10 2jrh h ILE 63 N 1.10 1.25 -0.91 0.00 2.04 -1.32 -2.56 117.51 117.10 2jrh h ILE 63 Ca 0.25 -0.76 0.10 0.00 1.00 0.00 0.00 64.86 65.45 2jrh h ILE 63 Cb 0.22 0.35 -0.07 0.00 -0.74 0.00 0.00 36.82 36.59 2jrh h ILE 63 CO -0.02 0.31 0.59 -0.78 0.00 0.00 0.00 178.15 178.25 2jrh h ASP 64 N 1.07 0.83 -0.28 1.72 3.58 -1.47 -1.17 116.42 120.70 2jrh h ASP 64 Ca 0.25 0.03 -0.13 0.00 0.42 0.00 0.00 57.03 57.59 2jrh h ASP 64 Cb 0.18 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 2jrh h ASP 64 CO -0.02 0.48 -0.31 0.40 -2.88 0.00 0.00 179.24 176.91 2jrh h ILE 65 N 0.91 1.28 -0.60 2.25 1.08 -1.37 -3.01 117.51 118.05 2jrh h ILE 65 Ca 0.43 -1.46 -0.03 0.00 -0.39 0.00 0.00 64.86 63.41 2jrh h ILE 65 Cb 0.42 1.33 -0.03 0.00 -3.07 0.00 0.00 36.82 35.46 2jrh h ILE 65 CO -0.19 0.48 0.26 0.25 -0.69 0.00 0.00 178.15 178.26 2jrh h LEU 66 N 0.67 0.78 -1.32 1.44 5.85 -0.95 -2.40 115.31 119.39 2jrh h LEU 66 Ca 0.07 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.76 2jrh h LEU 66 Cb 0.85 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 2jrh h LEU 66 CO 0.07 0.69 0.50 -0.78 -0.34 0.00 0.00 178.44 178.58 2jrh h ASP 67 N 0.86 0.74 0.07 1.25 3.58 -1.24 -0.81 116.42 120.86 2jrh h ASP 67 Ca 0.21 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.59 2jrh h ASP 67 Cb 0.14 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 2jrh h ASP 67 CO -0.02 0.49 -0.21 0.03 -2.88 0.00 0.00 179.24 176.65 2jrh h ARG 68 N 0.84 0.26 -7.32 0.28 3.08 -1.46 -3.44 114.38 106.62 2jrh h ARG 68 Ca 0.32 -0.08 -0.48 0.00 0.07 0.00 0.00 59.98 59.81 2jrh h ARG 68 Cb 0.19 -0.03 0.15 0.00 0.08 0.00 0.00 29.97 30.37 2jrh h ARG 68 CO -0.11 0.47 0.23 0.45 -1.07 0.00 0.00 179.97 179.94 2jrh s SER 69 N -6.87 3.27 0.06 7.04 0.15 -0.31 -4.99 113.70 112.07 2jrh s SER 69 Ca -0.05 1.53 -0.10 0.00 0.70 0.00 0.00 55.95 58.02 2jrh s SER 69 Cb 0.15 -2.20 -0.28 0.00 -1.71 0.00 0.00 66.02 61.98 2jrh s SER 69 CO 0.75 -2.77 1.11 -1.28 1.20 0.00 0.00 173.24 172.25 2jrh h SER 70 N -1.64 0.68 0.02 5.45 0.87 -1.86 -3.38 113.55 113.69 2jrh h SER 70 Ca -0.50 -0.68 -0.00 0.00 -1.23 0.00 0.00 61.79 59.38 2jrh h SER 70 Cb 1.29 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 2jrh h SER 70 CO 0.54 1.51 -0.01 0.77 -0.53 0.00 0.00 176.83 179.11 2jrh h SER 71 N 0.17 -0.02 -3.75 6.23 4.64 -1.94 -3.46 113.55 115.42 2jrh h SER 71 Ca -0.18 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.84 2jrh h SER 71 Cb 1.97 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 64.05 2jrh h SER 71 CO 0.23 -0.01 -0.39 0.80 -0.87 0.00 0.00 176.83 176.59 2jrh n MET 72 N -2.09 -2.27 -0.01 4.77 1.56 -1.26 -4.80 117.12 113.03 2jrh n MET 72 Ca -0.00 0.70 -0.01 0.00 -0.27 0.00 0.00 57.70 58.12 2jrh n MET 72 Cb 0.01 -5.33 -0.02 0.00 2.15 0.00 0.00 33.22 30.03 2jrh n MET 72 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 2jrh n LYS 73 N -2.95 3.19 -4.42 2.12 4.76 -1.26 -5.00 118.16 114.59 2jrh n LYS 73 Ca -0.16 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.07 2jrh n LYS 73 Cb 0.63 -1.06 -0.10 0.00 -1.84 0.00 0.00 35.03 32.66 2jrh n LYS 73 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2jrh s SER 74 N -3.40 2.62 -0.19 4.39 1.04 -1.26 -4.56 113.70 112.34 2jrh s SER 74 Ca -0.01 -1.22 -0.02 0.00 0.48 0.00 0.00 55.95 55.17 2jrh s SER 74 Cb 0.01 -0.14 -0.01 0.00 0.10 0.00 0.00 66.02 65.98 2jrh s SER 74 CO 0.09 -0.40 -0.08 -0.76 0.98 0.00 0.00 173.24 173.07 2jrh s LEU 75 N -3.44 2.75 -0.89 2.42 2.01 -1.24 -4.95 118.68 115.35 2jrh s LEU 75 Ca 0.30 -0.41 -0.23 0.00 0.01 0.00 0.00 54.13 53.80 2jrh s LEU 75 Cb 0.05 -1.68 0.06 0.00 0.01 0.00 0.00 46.19 44.64 2jrh s LEU 75 CO 0.12 0.02 1.28 -0.13 1.01 0.00 0.00 176.35 178.66 2jrh s ARG 76 N 1.20 3.44 -0.07 1.70 0.52 -1.26 -2.79 118.95 121.69 2jrh s ARG 76 Ca 0.02 -1.01 0.03 0.00 -0.52 0.00 0.00 55.73 54.26 2jrh s ARG 76 Cb -0.14 -4.85 0.01 0.00 0.52 0.00 0.00 34.95 30.48 2jrh s ARG 76 CO -0.03 -2.06 -0.16 0.42 0.02 0.00 0.00 175.30 173.49 2jrh s ILE 77 N 4.58 1.41 -0.23 1.52 1.01 -1.08 -2.80 121.20 125.61 2jrh s ILE 77 Ca 0.38 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 2jrh s ILE 77 Cb -0.05 -1.25 0.02 0.00 0.01 0.00 0.00 42.46 41.19 2jrh s ILE 77 CO -0.01 0.41 -0.08 -0.22 0.00 0.00 0.00 174.94 175.04 2jrh s LEU 78 N 0.42 2.95 -0.10 2.97 2.96 0.18 -1.60 118.68 126.47 2jrh s LEU 78 Ca -0.13 -0.73 -0.01 0.00 -0.22 0.00 0.00 54.13 53.05 2jrh s LEU 78 Cb -0.15 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 2jrh s LEU 78 CO 0.04 -0.08 -0.07 -1.48 -1.32 0.00 0.00 176.35 173.44 2jrh s LEU 79 N 1.35 3.12 0.07 -0.68 0.05 -0.73 -1.10 118.68 120.77 2jrh s LEU 79 Ca 0.02 -0.10 0.02 0.00 0.05 0.00 0.00 54.13 54.12 2jrh s LEU 79 Cb -0.16 -1.71 -0.03 0.00 -2.05 0.00 0.00 46.19 42.25 2jrh s LEU 79 CO -0.06 0.27 -0.07 -0.76 -0.55 0.00 0.00 176.35 175.18 2jrh s LEU 80 N -0.28 2.36 0.16 1.48 1.43 -0.98 -4.34 118.68 118.51 2jrh s LEU 80 Ca 0.04 -0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 52.25 2jrh s LEU 80 Cb -0.13 -0.14 -0.07 0.00 0.03 0.00 0.00 46.19 45.88 2jrh s LEU 80 CO 0.02 -0.31 0.57 -0.55 0.23 0.00 0.00 176.35 176.32 2jrh s SER 81 N -2.19 6.85 0.00 2.29 0.15 -1.26 -1.55 113.70 117.99 2jrh s SER 81 Ca -0.01 1.12 0.17 0.00 0.70 0.00 0.00 55.95 57.93 2jrh s SER 81 Cb -0.04 -2.30 0.64 0.00 -1.71 0.00 0.00 66.02 62.61 2jrh s SER 81 CO -0.02 0.09 1.47 0.00 1.20 0.00 0.00 173.24 175.98 2jrh n GLN 82 N 0.75 1.65 -1.84 5.44 1.13 -1.25 -4.85 117.38 118.41 2jrh n GLN 82 Ca -0.05 -0.98 -0.33 0.00 -1.94 0.00 0.00 57.00 53.70 2jrh n GLN 82 Cb 0.52 -1.34 -0.04 0.00 0.11 0.00 0.00 30.24 29.49 2jrh n GLN 82 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 2jrh s ASP 83 N -1.40 4.84 0.09 1.08 1.47 -1.26 -4.44 116.67 117.04 2jrh s ASP 83 Ca 0.28 0.37 0.00 0.00 1.18 0.00 0.00 52.55 54.38 2jrh s ASP 83 Cb 0.15 -2.53 0.00 0.00 -0.34 0.00 0.00 42.92 40.20 2jrh s ASP 83 CO 0.22 -2.76 0.00 0.54 0.68 0.00 0.00 175.17 173.85 2jrh n ARG 84 N 9.04 -3.04 -3.54 2.11 5.12 -1.26 -5.05 116.66 120.05 2jrh n ARG 84 Ca 0.31 2.39 -0.29 0.00 -1.93 0.00 0.00 57.85 58.33 2jrh n ARG 84 Cb 0.51 -2.47 -0.14 0.00 -1.16 0.00 0.00 32.46 29.20 2jrh n ARG 84 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 2jrh s ASN 85 N -0.30 3.44 -0.14 0.55 -0.87 -1.26 -5.12 114.94 111.24 2jrh s ASN 85 Ca 0.00 -1.58 -0.29 0.00 -1.57 0.00 0.00 52.86 49.42 2jrh s ASN 85 Cb 0.00 -0.42 -0.02 0.00 -0.02 0.00 0.00 41.25 40.79 2jrh s ASN 85 CO 0.00 -0.40 1.19 -0.76 -2.57 0.00 0.00 177.10 174.56 2jrh s LEU 86 N 1.76 4.20 0.00 0.60 2.01 -1.26 -4.96 118.68 121.03 2jrh s LEU 86 Ca 0.12 1.67 0.00 0.00 0.01 0.00 0.00 54.13 55.92 2jrh s LEU 86 Cb -0.18 -3.55 0.00 0.00 0.01 0.00 0.00 46.19 42.47 2jrh s LEU 86 CO -0.25 -0.67 0.00 1.21 1.01 0.00 0.00 176.35 177.64 2jrh n GLU 87 N 6.04 0.00 -3.80 1.70 2.13 -1.26 -4.99 120.64 120.45 2jrh n GLU 87 Ca 0.12 0.29 -0.16 0.00 0.66 0.00 0.00 57.16 58.07 2jrh n GLU 87 Cb 0.46 -0.76 -0.16 0.00 0.27 0.00 0.00 31.44 31.24 2jrh n GLU 87 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2jrh s HIS 88 N -0.81 0.10 -0.40 4.31 -3.43 -1.26 -5.03 115.29 108.78 2jrh s HIS 88 Ca 0.00 0.10 0.22 0.00 -0.80 0.00 0.00 55.06 54.58 2jrh s HIS 88 Cb 0.00 -0.30 -0.27 0.00 -1.43 0.00 0.00 32.58 30.59 2jrh s HIS 88 CO 0.00 -0.11 0.67 -2.39 -2.00 0.00 0.00 174.74 170.92 2jrh n HIS 89 N 4.24 0.04 -1.02 0.38 1.44 -1.26 -5.10 115.22 113.93 2jrh n HIS 89 Ca -0.26 0.01 0.13 0.00 -2.01 0.00 0.00 57.72 55.58 2jrh n HIS 89 Cb 0.50 -0.34 -0.06 0.00 0.12 0.00 0.00 29.99 30.21 2jrh n HIS 89 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2jrh n HIS 90 N -1.99 -2.70 -2.09 -1.40 8.25 -1.26 -5.04 115.22 108.99 2jrh n HIS 90 Ca -0.01 1.46 -0.02 0.00 -0.26 0.00 0.00 57.72 58.90 2jrh n HIS 90 Cb 0.48 -2.45 -0.02 0.00 1.12 0.00 0.00 29.99 29.12 2jrh n HIS 90 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jrh n HIS 91 N -3.70 -3.28 -3.96 4.41 -0.00 -1.26 -5.09 115.22 102.34 2jrh n HIS 91 Ca -0.05 1.93 -0.09 0.00 -0.00 0.00 0.00 57.72 59.51 2jrh n HIS 91 Cb 0.48 -3.25 -0.10 0.00 -0.00 0.00 0.00 29.99 27.11 2jrh n HIS 91 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jrh s HIS 92 N -0.44 0.22 -2.64 1.57 5.04 -1.26 -5.28 115.29 112.50 2jrh s HIS 92 Ca -0.09 -0.49 0.21 0.00 -1.54 0.00 0.00 55.06 53.15 2jrh s HIS 92 Cb 0.01 -0.17 0.17 0.00 0.04 0.00 0.00 32.58 32.63 2jrh s HIS 92 CO 0.25 -0.27 1.17 -2.39 -2.34 0.00 0.00 174.74 171.17