#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 0.31 1.08 1.04 -1.26 -5.07 113.70 109.56 2jrh s SER 2 Ca 0.00 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2jrh s SER 2 Cb 0.00 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2jrh s SER 2 CO 0.00 -0.49 0.00 0.47 0.98 0.00 0.00 173.24 174.20 2jrh n ASP 3 N -0.24 -4.84 -3.74 7.02 9.92 -1.26 -4.98 116.55 118.44 2jrh n ASP 3 Ca -0.05 0.92 -0.16 0.00 -0.53 0.00 0.00 54.79 54.96 2jrh n ASP 3 Cb 0.61 -2.30 -0.16 0.00 -0.64 0.00 0.00 41.12 38.62 2jrh n ASP 3 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2jrh s VAL 4 N -4.13 -0.07 -0.25 2.53 1.01 -0.31 -4.89 120.40 114.29 2jrh s VAL 4 Ca 0.00 0.27 -0.23 0.00 0.00 0.00 0.00 61.98 62.03 2jrh s VAL 4 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.26 2jrh s VAL 4 CO 0.00 0.11 0.74 -0.13 0.00 0.00 0.00 175.10 175.82 2jrh s ARG 5 N 1.37 4.15 -0.28 2.72 0.52 -1.26 -0.69 118.95 125.48 2jrh s ARG 5 Ca -0.05 0.76 -0.08 0.00 -0.52 0.00 0.00 55.73 55.84 2jrh s ARG 5 Cb -0.13 -3.65 -0.01 0.00 0.52 0.00 0.00 34.95 31.68 2jrh s ARG 5 CO -0.03 -0.47 0.09 0.42 0.02 0.00 0.00 175.30 175.33 2jrh s ILE 6 N 2.67 4.29 -0.38 1.52 -1.09 0.12 -3.39 121.20 124.95 2jrh s ILE 6 Ca 0.31 -0.36 -0.13 0.00 -2.23 0.00 0.00 60.65 58.24 2jrh s ILE 6 Cb -0.15 -3.10 0.01 0.00 -1.58 0.00 0.00 42.46 37.64 2jrh s ILE 6 CO 0.08 0.21 0.24 -0.54 -1.23 0.00 0.00 174.94 173.70 2jrh s LYS 7 N 1.59 3.05 0.00 2.79 1.02 -1.03 -1.89 119.74 125.27 2jrh s LYS 7 Ca 0.05 -0.94 0.07 0.00 0.02 0.00 0.00 55.97 55.16 2jrh s LYS 7 Cb -0.16 -3.83 -0.03 0.00 -0.52 0.00 0.00 37.83 33.29 2jrh s LYS 7 CO 0.04 -0.65 -0.20 -0.59 -0.92 0.00 0.00 175.35 173.03 2jrh s PHE 8 N 1.64 2.51 -0.02 3.18 -0.71 -0.55 -2.55 117.98 121.48 2jrh s PHE 8 Ca 0.04 -0.29 0.07 0.00 -1.04 0.00 0.00 56.93 55.71 2jrh s PHE 8 Cb -0.19 -1.50 -0.02 0.00 -1.21 0.00 0.00 43.02 40.10 2jrh s PHE 8 CO 0.09 0.15 -0.23 -2.00 -1.34 0.00 0.00 175.22 171.89 2jrh s GLU 9 N -1.05 1.85 -0.13 1.99 2.12 -1.23 -0.43 118.70 121.82 2jrh s GLU 9 Ca 0.12 -0.82 -0.04 0.00 0.36 0.00 0.00 54.97 54.59 2jrh s GLU 9 Cb -0.10 -1.80 0.06 0.00 0.26 0.00 0.00 34.13 32.55 2jrh s GLU 9 CO 0.02 0.49 0.11 -1.58 -0.54 0.00 0.00 175.26 173.76 2jrh s HIS 10 N -0.54 0.07 -1.72 5.30 2.46 0.12 -3.66 115.29 117.31 2jrh s HIS 10 Ca 0.09 -0.02 -0.01 0.00 0.47 0.00 0.00 55.06 55.58 2jrh s HIS 10 Cb -0.09 -0.56 0.00 0.00 -0.13 0.00 0.00 32.58 31.80 2jrh s HIS 10 CO -0.01 -0.42 0.17 0.09 -2.47 0.00 0.00 174.74 172.10 2jrh n ASN 11 N 5.29 -5.96 0.00 9.88 4.13 -1.26 -2.47 115.26 124.87 2jrh n ASN 11 Ca -0.06 -0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.11 2jrh n ASN 11 Cb 0.49 -4.92 0.00 0.00 -1.54 0.00 0.00 39.78 33.81 2jrh n ASN 11 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jrh n GLY 12 N -1.16 3.07 3.74 7.41 0.00 -1.26 -5.05 105.19 111.95 2jrh n GLY 12 Ca -0.21 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 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 4.45 0.23 1.61 0.41 -1.03 -5.01 118.70 119.36 2jrh s GLU 13 Ca 0.00 1.98 0.11 0.00 -0.41 0.00 0.00 54.97 56.65 2jrh s GLU 13 Cb 0.00 -3.20 -0.05 0.00 -1.78 0.00 0.00 34.13 29.11 2jrh s GLU 13 CO 0.00 -0.14 -0.20 -0.98 -0.49 0.00 0.00 175.26 173.45 2jrh s ARG 14 N -0.49 1.66 -0.01 1.61 1.04 -1.26 0.11 118.95 121.62 2jrh s ARG 14 Ca 0.53 -1.60 -0.02 0.00 -1.04 0.00 0.00 55.73 53.61 2jrh s ARG 14 Cb -0.35 -1.86 -0.00 0.00 -2.04 0.00 0.00 34.95 30.70 2jrh s ARG 14 CO 0.40 0.37 0.04 0.50 -0.04 0.00 0.00 175.30 176.57 2jrh s ARG 15 N -3.05 0.17 -0.20 3.89 6.06 0.43 -4.98 118.95 121.26 2jrh s ARG 15 Ca 0.25 -0.16 -0.01 0.00 -2.50 0.00 0.00 55.73 53.31 2jrh s ARG 15 Cb -0.07 0.07 0.01 0.00 0.06 0.00 0.00 34.95 35.03 2jrh s ARG 15 CO 0.13 -0.03 -0.13 0.42 -2.50 0.00 0.00 175.30 173.19 2jrh s ILE 16 N -0.52 2.57 -0.02 4.11 1.01 -1.26 -1.48 121.20 125.61 2jrh s ILE 16 Ca -0.06 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.78 2jrh s ILE 16 Cb -0.04 -2.16 -0.00 0.00 0.01 0.00 0.00 42.46 40.27 2jrh s ILE 16 CO -0.00 0.43 -0.12 -0.63 0.00 0.00 0.00 174.94 174.62 2jrh s ILE 17 N 1.34 1.02 0.08 2.92 -1.09 -0.79 -4.94 121.20 119.75 2jrh s ILE 17 Ca 0.04 -0.52 -0.08 0.00 -2.23 0.00 0.00 60.65 57.86 2jrh s ILE 17 Cb -0.14 -0.88 -0.06 0.00 -1.58 0.00 0.00 42.46 39.81 2jrh s ILE 17 CO -0.09 0.30 0.37 0.00 -1.23 0.00 0.00 174.94 174.29 2jrh s ALA 18 N -0.06 3.76 -0.11 9.38 0.00 -1.26 0.14 121.76 133.61 2jrh s ALA 18 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 2jrh s ALA 18 Cb -0.08 -2.20 0.03 0.00 0.00 0.00 0.00 23.12 20.88 2jrh s ALA 18 CO 0.00 0.60 -0.02 -0.06 0.00 0.00 0.00 175.76 176.29 2jrh s PHE 19 N -1.43 1.01 0.21 0.00 0.40 0.13 -4.89 117.98 113.42 2jrh s PHE 19 Ca 0.33 -0.50 -0.30 0.00 -0.60 0.00 0.00 56.93 55.86 2jrh s PHE 19 Cb -0.13 -0.99 -0.08 0.00 0.51 0.00 0.00 43.02 42.32 2jrh s PHE 19 CO 0.19 -0.45 1.18 -1.12 0.70 0.00 0.00 175.22 175.72 2jrh s SER 20 N 1.86 7.12 0.18 1.36 0.01 -1.26 -1.17 113.70 121.80 2jrh s SER 20 Ca 0.04 2.25 0.04 0.00 1.31 0.00 0.00 55.95 59.58 2jrh s SER 20 Cb -0.13 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.45 2jrh s SER 20 CO -0.07 -0.33 0.30 -0.13 0.41 0.00 0.00 173.24 173.42 2jrh s ARG 21 N -0.51 3.40 -0.12 12.44 0.52 -1.26 -3.44 118.95 129.98 2jrh s ARG 21 Ca 0.51 -0.68 -0.30 0.00 -0.52 0.00 0.00 55.73 54.74 2jrh s ARG 21 Cb -0.33 -2.91 -0.02 0.00 0.52 0.00 0.00 34.95 32.21 2jrh s ARG 21 CO 0.38 0.48 1.24 -1.25 0.02 0.00 0.00 175.30 176.18 2jrh s PRO 22 N -3.50 4.28 0.13 3.54 0.04 -1.26 -4.85 135.00 133.38 2jrh s PRO 22 Ca 0.34 1.68 0.04 0.00 0.04 0.00 0.00 61.00 63.09 2jrh s PRO 22 Cb -0.10 -3.68 -0.04 0.00 0.04 0.00 0.00 34.50 30.72 2jrh s PRO 22 CO 0.28 -0.60 0.15 0.54 0.04 0.00 0.00 177.00 177.41 2jrh s VAL 23 N 2.95 4.69 -0.12 -0.36 0.11 -1.22 -5.12 120.40 121.33 2jrh s VAL 23 Ca 0.55 -0.89 -0.04 0.00 -2.93 0.00 0.00 61.98 58.67 2jrh s VAL 23 Cb -0.23 -3.35 -0.04 0.00 -1.53 0.00 0.00 36.38 31.23 2jrh s VAL 23 CO 0.18 -0.02 0.04 -0.54 -3.33 0.00 0.00 175.10 171.43 2jrh s LYS 24 N -2.89 3.36 0.35 1.54 3.01 -1.26 -5.00 119.74 118.86 2jrh s LYS 24 Ca 0.31 -0.34 0.08 0.00 -1.01 0.00 0.00 55.97 55.01 2jrh s LYS 24 Cb -0.11 -2.98 0.79 0.00 -1.01 0.00 0.00 37.83 34.52 2jrh s LYS 24 CO 0.24 0.59 1.89 -0.92 0.51 0.00 0.00 175.35 177.66 2jrh h TYR 25 N 5.57 0.82 -0.53 3.18 5.03 -1.99 -1.21 116.97 127.84 2jrh h TYR 25 Ca -0.47 0.02 0.03 0.00 2.58 0.00 0.00 58.73 60.89 2jrh h TYR 25 Cb 1.19 -0.26 -0.04 0.00 1.55 0.00 0.00 36.73 39.18 2jrh h TYR 25 CO 0.64 0.33 0.31 0.93 -1.32 0.00 0.00 178.16 179.05 2jrh h GLU 26 N 0.72 0.60 -0.29 1.82 5.08 -1.99 0.17 114.58 120.70 2jrh h GLU 26 Ca 0.42 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.68 2jrh h GLU 26 Cb 0.61 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2jrh h GLU 26 CO -0.18 0.40 -0.07 -0.44 -1.00 0.00 0.00 179.01 177.72 2jrh h ASP 27 N 0.62 0.56 -0.23 1.42 3.32 -1.67 -1.25 116.42 119.19 2jrh h ASP 27 Ca 0.22 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 2jrh h ASP 27 Cb 0.04 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2jrh h ASP 27 CO -0.10 0.79 0.11 0.58 -1.72 0.00 0.00 179.24 178.90 2jrh h VAL 28 N 0.32 1.14 -0.57 -1.35 2.07 -1.08 -2.28 116.25 114.50 2jrh h VAL 28 Ca 0.07 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2jrh h VAL 28 Cb 0.54 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 2jrh h VAL 28 CO 0.03 0.14 0.37 -0.08 0.02 0.00 0.00 177.57 178.04 2jrh h GLU 29 N 0.24 0.76 -0.93 1.57 4.81 -0.65 -1.72 114.58 118.66 2jrh h GLU 29 Ca 0.08 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 2jrh h GLU 29 Cb 0.12 -0.17 -0.07 0.00 0.63 0.00 0.00 28.75 29.26 2jrh h GLU 29 CO -0.01 0.52 0.59 1.25 -0.73 0.00 0.00 179.01 180.62 2jrh h HIS 30 N 0.77 1.08 -0.03 0.92 2.76 -1.04 0.40 115.15 120.02 2jrh h HIS 30 Ca 0.21 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 2jrh h HIS 30 Cb -0.07 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 28.54 2jrh h HIS 30 CO -0.03 0.53 -0.01 -0.22 -1.30 0.00 0.00 177.93 176.91 2jrh h LYS 31 N 1.05 0.05 -0.62 5.26 3.64 -0.96 -2.37 116.57 122.63 2jrh h LYS 31 Ca 0.41 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.71 2jrh h LYS 31 Cb 0.22 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2jrh h LYS 31 CO -0.19 0.42 0.13 0.28 -2.27 0.00 0.00 179.45 177.82 2jrh h VAL 32 N -0.31 1.26 -0.95 2.00 2.07 -0.98 -2.34 116.25 116.99 2jrh h VAL 32 Ca 0.01 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.59 2jrh h VAL 32 Cb 0.40 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 2jrh h VAL 32 CO 0.00 0.35 0.62 0.74 0.02 0.00 0.00 177.57 179.31 2jrh h THR 33 N 0.91 1.25 0.00 2.57 2.02 -0.22 -1.93 112.91 117.50 2jrh h THR 33 Ca 0.19 -0.47 -0.11 0.00 0.77 0.00 0.00 66.41 66.79 2jrh h THR 33 Cb 0.38 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 2jrh h THR 33 CO 0.01 0.24 -0.54 0.74 0.37 0.00 0.00 175.52 176.34 2jrh h THR 34 N 1.29 1.30 0.20 3.16 2.02 -1.22 0.71 112.91 120.37 2jrh h THR 34 Ca 0.35 -1.91 -0.01 0.00 0.77 0.00 0.00 66.41 65.61 2jrh h THR 34 Cb -0.13 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 2jrh h THR 34 CO -0.07 0.53 -0.10 0.58 0.37 0.00 0.00 175.52 176.83 2jrh h VAL 35 N 0.00 0.87 0.00 3.16 2.07 -0.83 -3.33 116.25 118.20 2jrh h VAL 35 Ca -0.01 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2jrh h VAL 35 Cb 1.01 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 2jrh h VAL 35 CO 0.07 0.18 -0.80 0.49 0.02 0.00 0.00 177.57 177.54 2jrh n PHE 36 N -5.01 0.07 0.00 1.57 3.72 -0.83 -5.09 117.46 111.89 2jrh n PHE 36 Ca -0.09 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2jrh n PHE 36 Cb 0.26 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 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 1.46 0.72 3.23 1.37 0.00 0.25 -5.06 105.19 107.17 2jrh n GLY 37 Ca 0.04 -2.11 -0.18 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.26 1.00 0.01 1.61 -2.07 -1.25 -4.02 119.66 113.68 2jrh s GLN 38 Ca 0.00 -1.20 -0.20 0.00 -1.82 0.00 0.00 55.36 52.14 2jrh s GLN 38 Cb 0.00 -0.90 -0.06 0.00 -1.09 0.00 0.00 33.01 30.96 2jrh s GLN 38 CO 0.00 0.18 0.58 -1.25 -1.32 0.00 0.00 175.29 173.48 2jrh s PRO 39 N -2.53 4.28 -0.01 9.60 0.04 -1.26 -4.95 135.00 140.17 2jrh s PRO 39 Ca 0.07 0.72 0.01 0.00 0.04 0.00 0.00 61.00 61.84 2jrh s PRO 39 Cb -0.06 -3.32 0.01 0.00 0.04 0.00 0.00 34.50 31.17 2jrh s PRO 39 CO 0.03 0.43 -0.01 -0.51 0.04 0.00 0.00 177.00 176.98 2jrh s LEU 40 N -0.40 1.68 -0.04 -3.56 1.43 -1.26 -4.05 118.68 112.50 2jrh s LEU 40 Ca 0.30 -0.04 0.05 0.00 -1.03 0.00 0.00 54.13 53.41 2jrh s LEU 40 Cb -0.18 -0.16 -0.03 0.00 0.03 0.00 0.00 46.19 45.85 2jrh s LEU 40 CO 0.17 -0.02 -0.16 -0.62 0.23 0.00 0.00 176.35 175.95 2jrh s ASP 41 N 0.35 3.86 -0.42 2.29 2.15 -1.25 -4.89 116.67 118.77 2jrh s ASP 41 Ca -0.03 -0.26 -0.28 0.00 0.43 0.00 0.00 52.55 52.41 2jrh s ASP 41 Cb -0.06 -0.75 0.02 0.00 -0.30 0.00 0.00 42.92 41.84 2jrh s ASP 41 CO -0.01 0.33 1.04 -0.76 -0.17 0.00 0.00 175.17 175.61 2jrh s LEU 42 N -0.79 3.84 -0.19 -1.34 1.02 -1.26 -3.68 118.68 116.27 2jrh s LEU 42 Ca 0.12 0.55 -0.09 0.00 0.02 0.00 0.00 54.13 54.73 2jrh s LEU 42 Cb -0.10 -3.43 -0.05 0.00 0.02 0.00 0.00 46.19 42.63 2jrh s LEU 42 CO 0.01 -1.06 0.11 -1.00 0.02 0.00 0.00 176.35 174.43 2jrh s HIS 43 N 3.96 3.35 -0.18 0.29 3.76 0.17 -4.09 115.29 122.56 2jrh s HIS 43 Ca 0.43 0.23 -0.21 0.00 -0.15 0.00 0.00 55.06 55.37 2jrh s HIS 43 Cb -0.10 -2.13 -0.03 0.00 1.11 0.00 0.00 32.58 31.43 2jrh s HIS 43 CO 0.25 0.24 0.64 -0.47 -0.85 0.00 0.00 174.74 174.54 2jrh s TYR 44 N 0.38 3.40 -0.25 1.40 5.04 -0.12 0.37 117.35 127.57 2jrh s TYR 44 Ca 0.06 0.97 0.01 0.00 -2.44 0.00 0.00 57.07 55.67 2jrh s TYR 44 Cb -0.12 -2.79 0.07 0.00 0.35 0.00 0.00 41.96 39.47 2jrh s TYR 44 CO -0.01 -0.13 -0.02 1.41 -1.34 0.00 0.00 175.55 175.45 2jrh s MET 45 N 1.75 1.45 -0.08 4.97 -2.45 -0.96 -0.28 119.30 123.69 2jrh s MET 45 Ca 0.30 -1.07 -0.02 0.00 -1.25 0.00 0.00 55.69 53.65 2jrh s MET 45 Cb -0.16 -2.56 -0.01 0.00 1.25 0.00 0.00 34.83 33.35 2jrh s MET 45 CO 0.11 -0.68 0.08 -0.91 1.05 0.00 0.00 175.02 174.67 2jrh h ASN 46 N 7.95 -0.06 0.00 1.11 2.35 -1.77 -3.43 115.58 121.72 2jrh h ASN 46 Ca -0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2jrh h ASN 46 Cb 1.06 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.45 2jrh h ASN 46 CO 0.43 0.39 0.00 -3.20 -1.65 0.00 0.00 177.43 173.40 2jrh n ASN 47 N -4.60 -3.08 -0.04 5.81 4.05 -1.26 -4.97 115.26 111.17 2jrh n ASN 47 Ca -0.01 0.77 0.01 0.00 0.45 0.00 0.00 54.58 55.80 2jrh n ASN 47 Cb 0.03 2.94 0.01 0.00 1.23 0.00 0.00 39.78 43.99 2jrh n ASN 47 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 2jrh n GLU 48 N -3.41 1.56 -4.18 1.20 0.28 -1.26 -5.07 120.64 109.77 2jrh n GLU 48 Ca 0.00 -1.23 -0.17 0.00 -0.16 0.00 0.00 57.16 55.61 2jrh n GLU 48 Cb 0.00 -0.84 -0.11 0.00 1.43 0.00 0.00 31.44 31.92 2jrh n GLU 48 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 2jrh s LEU 49 N -0.77 2.34 -0.13 -1.84 2.34 -1.26 -5.15 118.68 114.21 2jrh s LEU 49 Ca 0.03 -0.71 0.03 0.00 0.06 0.00 0.00 54.13 53.55 2jrh s LEU 49 Cb 0.03 -0.43 0.01 0.00 -0.56 0.00 0.00 46.19 45.24 2jrh s LEU 49 CO 0.00 -0.16 -0.22 -0.55 -1.06 0.00 0.00 176.35 174.36 2jrh s SER 50 N -2.07 3.08 -0.09 1.48 0.15 -1.26 -3.04 113.70 111.94 2jrh s SER 50 Ca 0.02 -0.58 0.01 0.00 0.70 0.00 0.00 55.95 56.10 2jrh s SER 50 Cb -0.07 -1.42 -0.02 0.00 -1.71 0.00 0.00 66.02 62.80 2jrh s SER 50 CO 0.02 0.10 -0.14 -0.63 1.20 0.00 0.00 173.24 173.79 2jrh s ILE 51 N 0.67 3.06 -0.18 6.45 1.01 0.62 -4.96 121.20 127.86 2jrh s ILE 51 Ca -0.11 -0.69 -0.16 0.00 0.00 0.00 0.00 60.65 59.69 2jrh s ILE 51 Cb -0.16 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 2jrh s ILE 51 CO 0.02 0.55 0.41 -0.76 0.00 0.00 0.00 174.94 175.16 2jrh s LEU 52 N -0.12 4.19 -0.63 2.97 1.43 -1.26 -0.94 118.68 124.32 2jrh s LEU 52 Ca -0.01 0.59 -0.15 0.00 -1.03 0.00 0.00 54.13 53.53 2jrh s LEU 52 Cb -0.14 -2.55 0.16 0.00 0.03 0.00 0.00 46.19 43.69 2jrh s LEU 52 CO 0.03 -0.05 0.57 -0.76 0.23 0.00 0.00 176.35 176.38 2jrh s LEU 53 N 1.09 6.33 -0.12 1.79 2.01 -1.26 -4.86 118.68 123.65 2jrh s LEU 53 Ca 0.21 -2.09 0.09 0.00 0.01 0.00 0.00 54.13 52.35 2jrh s LEU 53 Cb -0.15 -2.19 -0.23 0.00 0.01 0.00 0.00 46.19 43.62 2jrh s LEU 53 CO 0.08 -0.75 0.35 1.17 1.01 0.00 0.00 176.35 178.20 2jrh n LYS 54 N 4.81 0.67 -4.30 1.70 4.81 -1.26 -4.89 118.16 119.70 2jrh n LYS 54 Ca -0.05 0.19 -0.17 0.00 -0.87 0.00 0.00 58.31 57.42 2jrh n LYS 54 Cb 0.42 -1.67 -0.09 0.00 0.02 0.00 0.00 35.03 33.70 2jrh n LYS 54 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2jrh s ASN 55 N -6.15 1.18 0.52 3.14 0.01 -1.26 -5.04 114.94 107.34 2jrh s ASN 55 Ca -0.13 -1.51 0.16 0.00 -0.71 0.00 0.00 52.86 50.68 2jrh s ASN 55 Cb 0.07 0.37 1.27 0.00 0.41 0.00 0.00 41.25 43.37 2jrh s ASN 55 CO 0.79 -0.87 2.14 -0.61 -1.51 0.00 0.00 177.10 177.05 2jrh h GLN 56 N 2.33 0.00 -0.74 -0.60 4.15 -2.00 -2.40 115.11 115.85 2jrh h GLN 56 Ca -0.34 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.19 2jrh h GLN 56 Cb 1.25 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.86 2jrh h GLN 56 CO 0.52 0.01 0.35 0.22 -1.93 0.00 0.00 178.83 178.00 2jrh h ASP 57 N 0.00 0.43 -0.42 -0.69 3.58 -2.00 0.60 116.42 117.91 2jrh h ASP 57 Ca -0.00 0.08 -0.10 0.00 0.42 0.00 0.00 57.03 57.42 2jrh h ASP 57 Cb 0.02 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 2jrh h ASP 57 CO 0.00 0.22 -0.12 0.44 -2.88 0.00 0.00 179.24 176.91 2jrh h ASP 58 N 0.57 0.88 -0.37 2.28 3.32 -1.80 -2.50 116.42 118.80 2jrh h ASP 58 Ca 0.38 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2jrh h ASP 58 Cb 0.46 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2jrh h ASP 58 CO -0.31 1.01 0.14 0.25 -1.72 0.00 0.00 179.24 178.61 2jrh h LEU 59 N 0.80 0.52 -0.76 1.55 6.46 -1.16 -2.14 115.31 120.58 2jrh h LEU 59 Ca 0.13 -0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 2jrh h LEU 59 Cb 0.64 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.40 2jrh h LEU 59 CO 0.04 0.56 0.38 -0.78 -0.62 0.00 0.00 178.44 178.02 2jrh h ASP 60 N 0.45 0.98 -0.75 1.25 3.58 -0.86 -2.35 116.42 118.73 2jrh h ASP 60 Ca 0.12 -0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2jrh h ASP 60 Cb 0.21 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.97 2jrh h ASP 60 CO -0.01 0.82 0.36 0.50 -2.88 0.00 0.00 179.24 178.03 2jrh h LYS 61 N 1.06 1.09 -0.68 0.28 3.64 -1.29 -2.33 116.57 118.34 2jrh h LYS 61 Ca 0.26 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 2jrh h LYS 61 Cb 0.09 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 2jrh h LYS 61 CO -0.04 0.85 0.24 0.00 -2.27 0.00 0.00 179.45 178.24 2jrh h ALA 62 N 1.31 0.89 -0.42 5.00 0.00 -0.94 -2.66 119.26 122.43 2jrh h ALA 62 Ca 0.26 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2jrh h ALA 62 Cb 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2jrh h ALA 62 CO -0.03 0.53 0.15 0.82 0.00 0.00 0.00 179.25 180.72 2jrh h ILE 63 N 0.98 1.21 -0.82 0.00 2.04 -1.09 -1.69 117.51 118.14 2jrh h ILE 63 Ca 0.22 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.50 2jrh h ILE 63 Cb 0.25 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 2jrh h ILE 63 CO -0.01 0.24 0.49 -0.78 0.00 0.00 0.00 178.15 178.08 2jrh h ASP 64 N 0.54 0.74 -0.38 1.72 3.58 -1.28 -0.76 116.42 120.58 2jrh h ASP 64 Ca 0.14 0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.52 2jrh h ASP 64 Cb 0.22 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 2jrh h ASP 64 CO -0.01 0.46 -0.15 0.40 -2.88 0.00 0.00 179.24 177.06 2jrh h ILE 65 N 0.86 1.28 -0.39 2.25 2.04 -1.26 -2.96 117.51 119.34 2jrh h ILE 65 Ca 0.37 -1.26 0.01 0.00 1.00 0.00 0.00 64.86 64.98 2jrh h ILE 65 Cb 0.24 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2jrh h ILE 65 CO -0.20 0.42 0.25 0.25 0.00 0.00 0.00 178.15 178.87 2jrh h LEU 66 N 0.57 0.42 -1.44 1.44 5.85 -0.69 -1.69 115.31 119.77 2jrh h LEU 66 Ca 0.09 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.87 2jrh h LEU 66 Cb 0.69 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 2jrh h LEU 66 CO 0.05 0.31 0.45 -0.78 -0.34 0.00 0.00 178.44 178.12 2jrh h ASP 67 N 0.51 0.59 0.54 1.25 1.82 -1.13 -1.12 116.42 118.87 2jrh h ASP 67 Ca 0.15 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.64 2jrh h ASP 67 Cb -0.03 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 39.84 2jrh h ASP 67 CO -0.05 0.38 -0.70 0.03 -1.61 0.00 0.00 179.24 177.29 2jrh h ARG 68 N 0.67 0.14 -6.93 0.28 3.08 -1.25 -3.45 114.38 106.92 2jrh h ARG 68 Ca 0.30 -0.12 -0.53 0.00 0.07 0.00 0.00 59.98 59.70 2jrh h ARG 68 Cb 0.31 0.02 0.08 0.00 0.08 0.00 0.00 29.97 30.47 2jrh h ARG 68 CO -0.10 0.78 0.66 0.45 -1.07 0.00 0.00 179.97 180.69 2jrh s SER 69 N -6.88 6.42 0.30 7.04 0.15 -0.42 -4.93 113.70 115.37 2jrh s SER 69 Ca -0.03 2.75 0.10 0.00 0.70 0.00 0.00 55.95 59.48 2jrh s SER 69 Cb 0.12 -2.65 0.47 0.00 -1.71 0.00 0.00 66.02 62.24 2jrh s SER 69 CO 0.80 -0.79 1.68 -1.28 1.20 0.00 0.00 173.24 174.85 2jrh h SER 70 N 2.91 0.07 -0.63 5.45 0.87 -1.87 -3.10 113.55 117.25 2jrh h SER 70 Ca -0.50 -0.04 -0.40 0.00 -1.23 0.00 0.00 61.79 59.62 2jrh h SER 70 Cb 1.24 -0.02 -0.19 0.00 -0.44 0.00 0.00 62.40 62.99 2jrh h SER 70 CO 0.64 0.57 0.52 -1.54 -0.53 0.00 0.00 176.83 176.49 2jrh n SER 71 N -3.94 5.88 -4.76 6.23 3.41 -1.26 -4.97 113.62 114.21 2jrh n SER 71 Ca -0.02 -3.21 -0.40 0.00 -0.26 0.00 0.00 58.87 54.98 2jrh n SER 71 Cb 0.53 -0.94 -0.03 0.00 -0.26 0.00 0.00 64.21 63.50 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 -2.33 4.48 0.00 4.33 0.00 -1.18 -4.72 119.30 119.87 2jrh s MET 72 Ca 0.40 1.90 0.00 0.00 0.00 0.00 0.00 55.69 57.99 2jrh s MET 72 Cb 0.32 -3.07 0.00 0.00 0.00 0.00 0.00 34.83 32.08 2jrh s MET 72 CO 0.02 0.03 0.00 0.36 0.00 0.00 0.00 175.02 175.43 2jrh n LYS 73 N 0.90 0.00 -4.11 4.11 2.85 -1.26 -5.12 118.16 115.53 2jrh n LYS 73 Ca 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 2jrh n LYS 73 Cb 0.44 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.78 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 -1.33 0.95 -0.25 -5.58 0.01 -1.26 -4.84 113.70 101.39 2jrh s SER 74 Ca 0.00 -1.49 -0.07 0.00 1.31 0.00 0.00 55.95 55.69 2jrh s SER 74 Cb 0.00 0.64 -0.02 0.00 0.21 0.00 0.00 66.02 66.85 2jrh s SER 74 CO 0.00 -1.26 0.07 -0.76 0.41 0.00 0.00 173.24 171.70 2jrh s LEU 75 N -3.24 3.46 -1.30 2.44 1.02 -1.22 -4.97 118.68 114.86 2jrh s LEU 75 Ca 0.31 -0.28 -0.16 0.00 0.02 0.00 0.00 54.13 54.03 2jrh s LEU 75 Cb 0.00 -1.91 0.09 0.00 0.02 0.00 0.00 46.19 44.39 2jrh s LEU 75 CO 0.20 -0.05 1.76 -1.14 0.02 0.00 0.00 176.35 177.14 2jrh n ARG 76 N 4.91 3.21 -3.69 1.70 0.63 -1.26 -2.46 116.66 119.69 2jrh n ARG 76 Ca -0.16 -3.31 -0.37 0.00 -0.92 0.00 0.00 57.85 53.08 2jrh n ARG 76 Cb 0.51 -3.34 -0.12 0.00 0.45 0.00 0.00 32.46 29.96 2jrh n ARG 76 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2jrh s ILE 77 N 3.30 4.59 -0.21 5.15 1.01 -1.06 -2.27 121.20 131.71 2jrh s ILE 77 Ca 0.50 -0.19 -0.09 0.00 0.00 0.00 0.00 60.65 60.87 2jrh s ILE 77 Cb 0.04 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 2jrh s ILE 77 CO 0.03 0.23 0.10 -0.22 0.00 0.00 0.00 174.94 175.09 2jrh s LEU 78 N 1.64 3.93 -0.14 2.97 2.96 0.16 -3.53 118.68 126.68 2jrh s LEU 78 Ca 0.06 0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 54.04 2jrh s LEU 78 Cb -0.16 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.48 2jrh s LEU 78 CO 0.06 0.12 -0.08 -1.48 -1.32 0.00 0.00 176.35 173.65 2jrh s LEU 79 N 0.71 3.03 0.02 -0.68 0.05 -1.24 -0.65 118.68 119.92 2jrh s LEU 79 Ca 0.05 -0.19 -0.01 0.00 0.05 0.00 0.00 54.13 54.03 2jrh s LEU 79 Cb -0.13 -1.71 -0.02 0.00 -2.05 0.00 0.00 46.19 42.29 2jrh s LEU 79 CO 0.02 0.19 0.00 -0.76 -0.55 0.00 0.00 176.35 175.25 2jrh s LEU 80 N 0.22 2.14 0.18 1.48 1.02 -1.24 -4.70 118.68 117.78 2jrh s LEU 80 Ca -0.05 -0.51 -0.31 0.00 0.02 0.00 0.00 54.13 53.29 2jrh s LEU 80 Cb -0.14 0.22 -0.09 0.00 0.02 0.00 0.00 46.19 46.19 2jrh s LEU 80 CO 0.04 -0.35 1.40 -0.55 0.02 0.00 0.00 176.35 176.91 2jrh s SER 81 N -1.62 6.78 0.00 2.29 0.15 -1.26 -3.91 113.70 116.13 2jrh s SER 81 Ca -0.13 2.47 0.19 0.00 0.70 0.00 0.00 55.95 59.18 2jrh s SER 81 Cb -0.08 -2.60 0.67 0.00 -1.71 0.00 0.00 66.02 62.30 2jrh s SER 81 CO -0.02 -0.64 1.50 0.00 1.20 0.00 0.00 173.24 175.28 2jrh n GLN 82 N 3.12 1.76 -2.55 5.44 10.64 -1.26 -5.01 117.38 129.52 2jrh n GLN 82 Ca 0.09 -1.15 -0.05 0.00 -1.83 0.00 0.00 57.00 54.06 2jrh n GLN 82 Cb 0.41 -1.38 -0.05 0.00 -0.86 0.00 0.00 30.24 28.37 2jrh n GLN 82 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2jrh n ASP 83 N 0.38 -0.72 -2.69 2.61 9.92 -1.26 -5.02 116.55 119.76 2jrh n ASP 83 Ca 0.15 1.34 -0.09 0.00 -0.53 0.00 0.00 54.79 55.66 2jrh n ASP 83 Cb 0.33 -5.15 0.05 0.00 -0.64 0.00 0.00 41.12 35.70 2jrh n ASP 83 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2jrh n ARG 84 N 1.67 1.14 -0.95 -1.24 5.12 -1.26 -5.13 116.66 116.01 2jrh n ARG 84 Ca -0.40 -2.96 0.13 0.00 -1.93 0.00 0.00 57.85 52.69 2jrh n ARG 84 Cb 0.62 -1.03 -0.03 0.00 -1.16 0.00 0.00 32.46 30.86 2jrh n ARG 84 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2jrh n ASN 85 N -0.14 -7.27 -3.41 0.55 3.02 -1.26 -4.35 115.26 102.40 2jrh n ASN 85 Ca 0.07 1.02 -0.36 0.00 -0.03 0.00 0.00 54.58 55.28 2jrh n ASN 85 Cb 0.82 -2.86 -0.00 0.00 -0.61 0.00 0.00 39.78 37.13 2jrh n ASN 85 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2jrh n LEU 86 N 0.00 6.24 0.00 3.41 4.32 -1.26 -4.93 117.00 124.78 2jrh n LEU 86 Ca 0.01 -5.49 0.00 0.00 -0.02 0.00 0.00 56.01 50.51 2jrh n LEU 86 Cb 0.43 -0.95 0.00 0.00 -1.62 0.00 0.00 43.42 41.28 2jrh n LEU 86 CO 0.01 2.14 0.00 1.21 -1.22 0.00 0.00 177.39 179.53 2jrh n GLU 87 N -0.04 0.00 -0.85 3.23 2.13 -1.26 -5.04 120.64 118.81 2jrh n GLU 87 Ca 0.40 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.22 2jrh n GLU 87 Cb 0.31 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.02 2jrh n GLU 87 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2jrh n HIS 88 N -1.26 -2.31 -1.73 4.31 8.25 -1.26 -4.73 115.22 116.49 2jrh n HIS 88 Ca 0.00 1.22 -0.39 0.00 -0.26 0.00 0.00 57.72 58.29 2jrh n HIS 88 Cb 0.00 -2.40 -0.03 0.00 1.12 0.00 0.00 29.99 28.68 2jrh n HIS 88 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jrh s HIS 89 N -2.32 1.31 -0.10 4.41 3.76 -1.26 -4.70 115.29 116.39 2jrh s HIS 89 Ca 0.00 1.10 0.15 0.00 -0.15 0.00 0.00 55.06 56.16 2jrh s HIS 89 Cb 0.00 -3.82 0.31 0.00 1.11 0.00 0.00 32.58 30.17 2jrh s HIS 89 CO 0.00 -2.81 1.16 1.58 -0.85 0.00 0.00 174.74 173.82 2jrh n HIS 90 N 13.79 -0.10 -3.93 1.40 -0.00 -1.26 -5.13 115.22 119.99 2jrh n HIS 90 Ca 0.30 -0.98 0.01 0.00 0.46 0.00 0.00 57.72 57.52 2jrh n HIS 90 Cb 0.52 0.30 0.01 0.00 -0.12 0.00 0.00 29.99 30.70 2jrh n HIS 90 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2jrh s HIS 91 N -0.65 0.03 -0.37 1.57 -3.43 -1.26 -5.09 115.29 106.10 2jrh s HIS 91 Ca 0.18 -0.21 0.13 0.00 -0.80 0.00 0.00 55.06 54.36 2jrh s HIS 91 Cb 0.26 0.59 0.40 0.00 -1.43 0.00 0.00 32.58 32.41 2jrh s HIS 91 CO -0.09 -0.43 0.98 1.58 -2.00 0.00 0.00 174.74 174.79 2jrh n HIS 92 N -0.82 -0.30 -1.86 0.38 -0.00 -1.26 -5.22 115.22 106.15 2jrh n HIS 92 Ca 0.01 -2.84 0.00 0.00 0.46 0.00 0.00 57.72 55.35 2jrh n HIS 92 Cb 0.59 0.23 0.00 0.00 -0.12 0.00 0.00 29.99 30.69 2jrh n HIS 92 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38