#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 3.93 -0.41 1.08 0.01 -1.26 -4.89 113.70 112.16 2jrh s SER 2 Ca 0.00 -0.89 -0.15 0.00 1.31 0.00 0.00 55.95 56.22 2jrh s SER 2 Cb 0.00 -0.49 0.02 0.00 0.21 0.00 0.00 66.02 65.76 2jrh s SER 2 CO 0.00 0.03 0.56 0.47 0.41 0.00 0.00 173.24 174.71 2jrh n ASP 3 N -0.72 -7.71 -4.82 2.44 9.92 -1.24 -4.97 116.55 109.45 2jrh n ASP 3 Ca -0.05 0.53 -0.36 0.00 -0.53 0.00 0.00 54.79 54.38 2jrh n ASP 3 Cb 0.60 -5.22 -0.06 0.00 -0.64 0.00 0.00 41.12 35.80 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 -2.52 4.61 -0.49 2.53 1.01 -0.26 -4.81 120.40 120.46 2jrh s VAL 4 Ca 0.23 1.21 -0.20 0.00 0.00 0.00 0.00 61.98 63.22 2jrh s VAL 4 Cb -0.07 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.54 2jrh s VAL 4 CO 0.74 0.18 0.64 -0.60 0.00 0.00 0.00 175.10 176.05 2jrh s ARG 5 N -2.06 3.16 -0.21 2.72 3.52 -1.26 -1.63 118.95 123.19 2jrh s ARG 5 Ca 0.43 -0.77 -0.07 0.00 -0.13 0.00 0.00 55.73 55.19 2jrh s ARG 5 Cb -0.16 -4.07 -0.04 0.00 -1.56 0.00 0.00 34.95 29.13 2jrh s ARG 5 CO 0.20 -1.19 0.07 0.42 -0.81 0.00 0.00 175.30 173.99 2jrh s ILE 6 N 2.72 4.59 -0.18 4.11 1.01 -0.67 -2.78 121.20 130.00 2jrh s ILE 6 Ca 0.17 -0.09 -0.07 0.00 0.00 0.00 0.00 60.65 60.65 2jrh s ILE 6 Cb -0.18 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 2jrh s ILE 6 CO 0.13 0.41 0.06 -0.54 0.00 0.00 0.00 174.94 175.00 2jrh s LYS 7 N 0.88 3.95 -0.13 2.79 1.02 -1.18 -1.86 119.74 125.21 2jrh s LYS 7 Ca 0.04 -0.35 -0.01 0.00 0.02 0.00 0.00 55.97 55.66 2jrh s LYS 7 Cb -0.14 -3.21 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 2jrh s LYS 7 CO 0.03 0.25 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.56 2jrh s PHE 8 N 0.43 2.90 -0.10 3.18 0.08 -0.31 -3.71 117.98 120.44 2jrh s PHE 8 Ca 0.03 -0.42 0.04 0.00 0.12 0.00 0.00 56.93 56.70 2jrh s PHE 8 Cb -0.13 -1.86 -0.00 0.00 -0.57 0.00 0.00 43.02 40.46 2jrh s PHE 8 CO 0.00 -0.07 -0.23 -2.00 -0.10 0.00 0.00 175.22 172.83 2jrh s GLU 9 N 0.17 3.08 -0.05 0.44 2.12 -1.22 0.54 118.70 123.79 2jrh s GLU 9 Ca -0.05 -0.86 -0.02 0.00 0.36 0.00 0.00 54.97 54.40 2jrh s GLU 9 Cb -0.14 -2.33 0.04 0.00 0.26 0.00 0.00 34.13 31.95 2jrh s GLU 9 CO 0.04 0.18 0.09 -1.58 -0.54 0.00 0.00 175.26 173.45 2jrh s HIS 10 N 0.34 -0.02 -1.86 5.30 2.46 -0.21 -3.09 115.29 118.21 2jrh s HIS 10 Ca -0.18 0.36 0.00 0.00 0.47 0.00 0.00 55.06 55.71 2jrh s HIS 10 Cb -0.18 -0.39 0.00 0.00 -0.13 0.00 0.00 32.58 31.88 2jrh s HIS 10 CO 0.09 -0.21 0.00 -1.71 -2.47 0.00 0.00 174.74 170.44 2jrh n ASN 11 N 5.20 -5.58 0.00 9.88 2.85 -1.26 -2.66 115.26 123.69 2jrh n ASN 11 Ca -0.06 0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 2jrh n ASN 11 Cb 0.50 -4.69 0.00 0.00 1.24 0.00 0.00 39.78 36.83 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 -0.83 3.03 3.77 8.20 0.00 -1.26 -5.05 105.19 113.05 2jrh n GLY 12 Ca -0.22 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 2jrh n GLY 12 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jrh s GLU 13 N 0.00 4.32 0.18 1.61 1.03 -1.09 -5.00 118.70 119.75 2jrh s GLU 13 Ca 0.00 2.27 0.07 0.00 0.03 0.00 0.00 54.97 57.33 2jrh s GLU 13 Cb 0.00 -3.06 -0.04 0.00 -0.80 0.00 0.00 34.13 30.23 2jrh s GLU 13 CO 0.00 -0.25 0.06 1.03 -1.33 0.00 0.00 175.26 174.77 2jrh s ARG 14 N -1.71 2.60 0.04 -4.83 0.52 -1.26 -1.04 118.95 113.26 2jrh s ARG 14 Ca 0.50 -1.04 0.03 0.00 -0.52 0.00 0.00 55.73 54.70 2jrh s ARG 14 Cb -0.41 -2.46 -0.02 0.00 0.52 0.00 0.00 34.95 32.58 2jrh s ARG 14 CO 0.53 0.46 -0.09 0.50 0.02 0.00 0.00 175.30 176.73 2jrh s ARG 15 N -3.08 0.57 -0.22 3.54 3.52 0.19 -4.97 118.95 118.50 2jrh s ARG 15 Ca 0.29 -0.75 -0.02 0.00 -0.13 0.00 0.00 55.73 55.13 2jrh s ARG 15 Cb -0.09 -0.39 0.01 0.00 -1.56 0.00 0.00 34.95 32.92 2jrh s ARG 15 CO 0.21 0.08 -0.09 0.42 -0.81 0.00 0.00 175.30 175.11 2jrh s ILE 16 N -1.27 2.84 -0.02 4.11 1.01 -1.26 -1.17 121.20 125.44 2jrh s ILE 16 Ca -0.08 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.75 2jrh s ILE 16 Cb -0.09 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 40.03 2jrh s ILE 16 CO 0.01 0.34 -0.10 -0.63 0.00 0.00 0.00 174.94 174.56 2jrh s ILE 17 N 1.36 0.85 0.00 2.92 -1.09 -0.78 -5.04 121.20 119.43 2jrh s ILE 17 Ca 0.03 -0.41 -0.12 0.00 -2.23 0.00 0.00 60.65 57.92 2jrh s ILE 17 Cb -0.15 -0.75 -0.05 0.00 -1.58 0.00 0.00 42.46 39.93 2jrh s ILE 17 CO -0.06 0.26 0.37 0.00 -1.23 0.00 0.00 174.94 174.28 2jrh s ALA 18 N 0.10 3.73 -0.15 9.38 0.00 -1.26 -1.66 121.76 131.90 2jrh s ALA 18 Ca -0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 51.96 51.61 2jrh s ALA 18 Cb -0.08 -2.29 0.03 0.00 0.00 0.00 0.00 23.12 20.78 2jrh s ALA 18 CO 0.00 0.52 -0.07 -0.06 0.00 0.00 0.00 175.76 176.16 2jrh s PHE 19 N -1.15 1.66 0.14 0.00 0.40 -0.65 -4.98 117.98 113.41 2jrh s PHE 19 Ca 0.25 -0.98 -0.22 0.00 -0.60 0.00 0.00 56.93 55.38 2jrh s PHE 19 Cb -0.15 -1.31 -0.08 0.00 0.51 0.00 0.00 43.02 41.99 2jrh s PHE 19 CO 0.13 -0.59 0.69 0.45 0.70 0.00 0.00 175.22 176.61 2jrh s SER 20 N 1.65 7.21 0.48 1.36 0.15 -1.26 -1.10 113.70 122.19 2jrh s SER 20 Ca 0.02 1.46 -0.09 0.00 0.70 0.00 0.00 55.95 58.04 2jrh s SER 20 Cb -0.14 -2.43 -0.05 0.00 -1.71 0.00 0.00 66.02 61.68 2jrh s SER 20 CO -0.08 0.20 0.85 -0.13 1.20 0.00 0.00 173.24 175.28 2jrh s ARG 21 N -1.29 3.68 0.65 5.44 0.52 -1.26 -4.39 118.95 122.30 2jrh s ARG 21 Ca 0.35 0.48 -0.13 0.00 -0.52 0.00 0.00 55.73 55.90 2jrh s ARG 21 Cb -0.21 -2.30 -0.01 0.00 0.52 0.00 0.00 34.95 32.95 2jrh s ARG 21 CO 0.23 -0.22 1.06 -1.25 0.02 0.00 0.00 175.30 175.14 2jrh s PRO 22 N -4.43 3.13 -0.00 3.54 0.04 -1.26 -4.95 135.00 131.06 2jrh s PRO 22 Ca 0.51 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.62 2jrh s PRO 22 Cb -0.10 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2jrh s PRO 22 CO 0.40 -0.95 -0.01 0.54 0.04 0.00 0.00 177.00 177.02 2jrh s VAL 23 N -2.77 0.07 0.20 -0.36 0.11 -1.26 -5.14 120.40 111.25 2jrh s VAL 23 Ca 0.61 -0.03 0.11 0.00 -2.93 0.00 0.00 61.98 59.74 2jrh s VAL 23 Cb -0.15 -0.08 -0.04 0.00 -1.53 0.00 0.00 36.38 34.58 2jrh s VAL 23 CO 0.46 0.03 -0.22 -0.54 -3.33 0.00 0.00 175.10 171.50 2jrh s LYS 24 N 0.06 1.58 0.21 1.54 3.01 -1.26 -5.04 119.74 119.84 2jrh s LYS 24 Ca -0.00 -1.52 -0.09 0.00 -1.01 0.00 0.00 55.97 53.35 2jrh s LYS 24 Cb -0.01 -1.87 0.29 0.00 -1.01 0.00 0.00 37.83 35.22 2jrh s LYS 24 CO -0.00 0.40 1.76 -0.92 0.51 0.00 0.00 175.35 177.09 2jrh h TYR 25 N 3.11 0.48 -0.69 3.18 3.20 -1.96 -0.37 116.97 123.93 2jrh h TYR 25 Ca -0.46 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.41 2jrh h TYR 25 Cb 1.21 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.33 2jrh h TYR 25 CO 0.69 0.15 0.33 1.49 -1.64 0.00 0.00 178.16 179.18 2jrh h GLU 26 N 0.48 1.00 -0.49 1.82 4.22 -1.99 0.07 114.58 119.69 2jrh h GLU 26 Ca 0.32 -0.15 -0.02 0.00 0.08 0.00 0.00 59.36 59.59 2jrh h GLU 26 Cb 0.36 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2jrh h GLU 26 CO -0.28 0.79 0.23 -0.44 -2.18 0.00 0.00 179.01 177.12 2jrh h ASP 27 N 0.96 0.65 -0.35 1.04 5.19 -1.72 -1.50 116.42 120.69 2jrh h ASP 27 Ca 0.24 -0.14 -0.08 0.00 -0.62 0.00 0.00 57.03 56.42 2jrh h ASP 27 Cb 0.12 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 2jrh h ASP 27 CO -0.03 0.60 -0.11 0.58 -3.12 0.00 0.00 179.24 177.17 2jrh h VAL 28 N 0.64 1.28 -0.53 -1.35 2.07 -0.89 -2.63 116.25 114.86 2jrh h VAL 28 Ca 0.17 -1.19 0.04 0.00 0.82 0.00 0.00 66.70 66.53 2jrh h VAL 28 Cb 0.14 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 2jrh h VAL 28 CO -0.02 0.39 0.29 -0.08 0.02 0.00 0.00 177.57 178.17 2jrh h GLU 29 N 0.48 0.55 -0.65 1.57 4.22 -0.80 0.28 114.58 120.23 2jrh h GLU 29 Ca 0.09 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.48 2jrh h GLU 29 Cb 0.63 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2jrh h GLU 29 CO 0.04 0.36 0.35 0.45 -2.18 0.00 0.00 179.01 178.03 2jrh h HIS 30 N 0.56 0.90 -0.01 0.92 3.86 -1.24 0.80 115.15 120.95 2jrh h HIS 30 Ca 0.22 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2jrh h HIS 30 Cb 0.09 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.27 2jrh h HIS 30 CO -0.08 0.65 -0.01 -0.22 0.86 0.00 0.00 177.93 179.13 2jrh h LYS 31 N 0.89 0.03 -0.83 2.45 3.11 -1.06 -2.93 116.57 118.23 2jrh h LYS 31 Ca 0.23 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 58.04 2jrh h LYS 31 Cb 0.06 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.25 2jrh h LYS 31 CO -0.04 0.51 0.46 0.28 -2.81 0.00 0.00 179.45 177.86 2jrh h VAL 32 N -0.46 1.24 -0.89 2.00 2.07 -0.39 -1.50 116.25 118.31 2jrh h VAL 32 Ca 0.00 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 66.96 2jrh h VAL 32 Cb 0.51 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 2jrh h VAL 32 CO 0.00 0.27 0.58 0.74 0.02 0.00 0.00 177.57 179.18 2jrh h THR 33 N 1.15 1.14 -0.16 2.57 2.02 -0.88 -1.74 112.91 117.01 2jrh h THR 33 Ca 0.29 -0.38 -0.19 0.00 0.77 0.00 0.00 66.41 66.90 2jrh h THR 33 Cb 0.03 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.37 2jrh h THR 33 CO -0.05 0.20 -0.67 0.74 0.37 0.00 0.00 175.52 176.12 2jrh h THR 34 N 1.12 1.32 0.26 3.16 2.02 -1.28 0.88 112.91 120.39 2jrh h THR 34 Ca 0.36 -1.94 -0.01 0.00 0.77 0.00 0.00 66.41 65.58 2jrh h THR 34 Cb 0.01 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 2jrh h THR 34 CO -0.12 0.61 -0.12 0.58 0.37 0.00 0.00 175.52 176.83 2jrh h VAL 35 N 0.45 0.77 0.00 3.16 2.07 -0.80 -3.28 116.25 118.61 2jrh h VAL 35 Ca -0.02 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2jrh h VAL 35 Cb 1.26 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2jrh h VAL 35 CO 0.13 0.03 -1.44 0.49 0.02 0.00 0.00 177.57 176.80 2jrh n PHE 36 N -5.21 0.11 -0.97 1.57 3.01 -0.70 -5.10 117.46 110.16 2jrh n PHE 36 Ca -0.10 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.40 2jrh n PHE 36 Cb 0.18 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.29 2jrh n PHE 36 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jrh n GLY 37 N 1.35 -1.29 3.16 1.37 0.00 0.31 -5.02 105.19 105.07 2jrh n GLY 37 Ca -0.00 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 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 0.00 0.73 -0.06 1.61 -0.21 -1.26 -4.30 119.66 116.17 2jrh s GLN 38 Ca 0.00 -0.95 -0.20 0.00 0.02 0.00 0.00 55.36 54.23 2jrh s GLN 38 Cb 0.00 0.29 -0.05 0.00 1.00 0.00 0.00 33.01 34.25 2jrh s GLN 38 CO 0.00 -0.20 0.57 -1.25 -2.12 0.00 0.00 175.29 172.29 2jrh s PRO 39 N -3.50 4.33 -0.01 2.91 0.04 -1.26 -5.05 135.00 132.46 2jrh s PRO 39 Ca 0.02 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.72 2jrh s PRO 39 Cb 0.04 -3.39 0.01 0.00 0.04 0.00 0.00 34.50 31.20 2jrh s PRO 39 CO -0.09 0.25 -0.01 -0.51 0.04 0.00 0.00 177.00 176.68 2jrh s LEU 40 N 0.25 1.61 -0.05 -3.56 1.43 -1.26 -2.48 118.68 114.63 2jrh s LEU 40 Ca 0.30 -0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 2jrh s LEU 40 Cb -0.17 -0.13 -0.02 0.00 0.03 0.00 0.00 46.19 45.90 2jrh s LEU 40 CO 0.15 -0.04 -0.15 -0.62 0.23 0.00 0.00 176.35 175.92 2jrh s ASP 41 N 0.44 3.93 -0.51 2.29 -1.08 -1.07 -5.00 116.67 115.68 2jrh s ASP 41 Ca -0.04 -0.23 -0.28 0.00 -0.52 0.00 0.00 52.55 51.48 2jrh s ASP 41 Cb -0.06 -0.83 0.03 0.00 -1.46 0.00 0.00 42.92 40.59 2jrh s ASP 41 CO -0.01 0.34 1.12 -0.76 0.52 0.00 0.00 175.17 176.38 2jrh s LEU 42 N -0.67 3.65 -0.21 -1.34 1.43 -1.26 -3.28 118.68 117.00 2jrh s LEU 42 Ca 0.10 0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 53.48 2jrh s LEU 42 Cb -0.11 -3.39 -0.00 0.00 0.03 0.00 0.00 46.19 42.72 2jrh s LEU 42 CO 0.01 -1.29 -0.08 -1.00 0.23 0.00 0.00 176.35 174.21 2jrh s HIS 43 N 4.49 2.91 -0.10 0.29 3.76 -0.90 -3.22 115.29 122.52 2jrh s HIS 43 Ca 0.45 -1.10 -0.21 0.00 -0.15 0.00 0.00 55.06 54.05 2jrh s HIS 43 Cb -0.08 -2.05 -0.04 0.00 1.11 0.00 0.00 32.58 31.53 2jrh s HIS 43 CO 0.29 -0.60 0.61 -0.47 -0.85 0.00 0.00 174.74 173.72 2jrh s TYR 44 N 1.39 3.54 -0.16 1.40 6.14 0.19 -0.32 117.35 129.52 2jrh s TYR 44 Ca 0.05 1.08 0.00 0.00 0.64 0.00 0.00 57.07 58.84 2jrh s TYR 44 Cb -0.14 -2.70 0.03 0.00 0.42 0.00 0.00 41.96 39.57 2jrh s TYR 44 CO -0.05 0.10 -0.11 -1.64 0.64 0.00 0.00 175.55 174.49 2jrh s MET 45 N 0.81 1.99 -0.11 4.97 -1.94 -1.18 0.72 119.30 124.55 2jrh s MET 45 Ca 0.32 -0.59 -0.17 0.00 -1.71 0.00 0.00 55.69 53.54 2jrh s MET 45 Cb -0.17 -2.11 -0.15 0.00 2.01 0.00 0.00 34.83 34.42 2jrh s MET 45 CO 0.14 -0.32 0.49 -0.91 -0.01 0.00 0.00 175.02 174.41 2jrh h ASN 46 N 8.06 -0.02 0.00 3.03 2.35 -1.77 -3.45 115.58 123.78 2jrh h ASN 46 Ca -0.32 -0.55 0.00 0.00 -0.55 0.00 0.00 56.30 54.88 2jrh h ASN 46 Cb 1.12 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.50 2jrh h ASN 46 CO 0.48 0.74 0.00 0.59 -1.65 0.00 0.00 177.43 177.59 2jrh n ASN 47 N -4.71 -1.38 -0.03 5.81 3.02 -1.26 -4.97 115.26 111.74 2jrh n ASN 47 Ca -0.06 0.57 0.01 0.00 -0.03 0.00 0.00 54.58 55.07 2jrh n ASN 47 Cb 0.27 1.58 -0.10 0.00 -0.61 0.00 0.00 39.78 40.92 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 -3.00 1.13 -4.18 3.52 1.02 -1.26 -5.01 120.64 112.87 2jrh n GLU 48 Ca 0.00 -0.07 -0.30 0.00 -0.02 0.00 0.00 57.16 56.77 2jrh n GLU 48 Cb 0.00 -1.33 -0.09 0.00 -0.02 0.00 0.00 31.44 30.01 2jrh n GLU 48 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2jrh s LEU 49 N -4.42 3.28 -0.18 -4.62 0.20 -1.26 -5.12 118.68 106.56 2jrh s LEU 49 Ca -0.06 -0.27 -0.01 0.00 0.69 0.00 0.00 54.13 54.49 2jrh s LEU 49 Cb 0.06 -2.03 0.00 0.00 -0.43 0.00 0.00 46.19 43.79 2jrh s LEU 49 CO 0.55 0.18 -0.12 -0.55 -0.29 0.00 0.00 176.35 176.11 2jrh s SER 50 N -2.25 3.78 -0.12 3.68 0.15 -1.26 -2.60 113.70 115.08 2jrh s SER 50 Ca 0.24 -0.48 0.01 0.00 0.70 0.00 0.00 55.95 56.41 2jrh s SER 50 Cb -0.11 -1.61 -0.02 0.00 -1.71 0.00 0.00 66.02 62.57 2jrh s SER 50 CO 0.16 0.03 -0.14 -0.63 1.20 0.00 0.00 173.24 173.86 2jrh s ILE 51 N 1.15 3.01 -0.14 6.45 -1.09 0.22 -4.98 121.20 125.81 2jrh s ILE 51 Ca 0.01 -0.69 -0.15 0.00 -2.23 0.00 0.00 60.65 57.59 2jrh s ILE 51 Cb -0.14 -2.25 -0.05 0.00 -1.58 0.00 0.00 42.46 38.45 2jrh s ILE 51 CO -0.04 0.54 0.35 -0.22 -1.23 0.00 0.00 174.94 174.33 2jrh s LEU 52 N 0.20 4.26 -0.85 2.97 0.20 -1.26 0.55 118.68 124.74 2jrh s LEU 52 Ca -0.08 0.62 -0.24 0.00 0.69 0.00 0.00 54.13 55.11 2jrh s LEU 52 Cb -0.15 -2.48 0.05 0.00 -0.43 0.00 0.00 46.19 43.18 2jrh s LEU 52 CO 0.05 0.08 1.29 -0.76 -0.29 0.00 0.00 176.35 176.73 2jrh s LEU 53 N 0.45 3.60 -0.01 -0.68 1.43 -1.20 -4.81 118.68 117.46 2jrh s LEU 53 Ca 0.20 -1.03 -0.03 0.00 -1.03 0.00 0.00 54.13 52.23 2jrh s LEU 53 Cb -0.14 -2.53 -0.28 0.00 0.03 0.00 0.00 46.19 43.27 2jrh s LEU 53 CO 0.06 -1.60 0.82 0.50 0.23 0.00 0.00 176.35 176.36 2jrh h LYS 54 N 9.78 0.25 0.00 1.70 3.64 -1.95 -3.47 116.57 126.52 2jrh h LYS 54 Ca -0.06 -0.43 -0.37 0.00 -1.27 0.00 0.00 60.65 58.51 2jrh h LYS 54 Cb 1.03 0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 32.92 2jrh h LYS 54 CO 1.31 1.11 -0.29 0.09 -2.27 0.00 0.00 179.45 179.40 2jrh n ASN 55 N -3.45 -1.07 -0.01 4.20 3.02 -1.26 -5.04 115.26 111.65 2jrh n ASN 55 Ca -0.17 -3.04 0.08 0.00 -0.03 0.00 0.00 54.58 51.41 2jrh n ASN 55 Cb 1.05 2.16 0.48 0.00 -0.61 0.00 0.00 39.78 42.86 2jrh n ASN 55 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 2jrh h GLN 56 N 0.00 0.42 -0.90 3.52 5.75 -1.98 -2.03 115.11 119.89 2jrh h GLN 56 Ca -0.26 -0.03 0.14 0.00 -0.15 0.00 0.00 58.65 58.36 2jrh h GLN 56 Cb 1.20 -0.09 -0.09 0.00 1.07 0.00 0.00 27.48 29.57 2jrh h GLN 56 CO 0.36 0.28 0.51 0.22 -2.65 0.00 0.00 178.83 177.54 2jrh h ASP 57 N 0.43 0.68 -0.65 -0.69 3.58 -1.99 0.52 116.42 118.29 2jrh h ASP 57 Ca 0.19 0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.65 2jrh h ASP 57 Cb 0.21 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 2jrh h ASP 57 CO -0.05 0.32 0.16 0.44 -2.88 0.00 0.00 179.24 177.23 2jrh h ASP 58 N 0.75 0.99 -0.53 2.28 3.32 -1.74 -2.32 116.42 119.17 2jrh h ASP 58 Ca 0.47 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 2jrh h ASP 58 Cb 0.60 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2jrh h ASP 58 CO -0.32 0.96 0.06 -0.07 -1.72 0.00 0.00 179.24 178.15 2jrh h LEU 59 N 0.97 0.86 -0.97 1.55 3.38 -1.14 -1.86 115.31 118.10 2jrh h LEU 59 Ca 0.21 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2jrh h LEU 59 Cb 0.36 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 2jrh h LEU 59 CO 0.00 0.92 0.56 0.44 0.09 0.00 0.00 178.44 180.45 2jrh h ASP 60 N 0.77 1.12 -0.44 -0.43 5.19 -0.78 -0.28 116.42 121.57 2jrh h ASP 60 Ca 0.16 -0.07 -0.13 0.00 -0.62 0.00 0.00 57.03 56.37 2jrh h ASP 60 Cb 0.44 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 2jrh h ASP 60 CO 0.02 0.86 -0.23 0.11 -3.12 0.00 0.00 179.24 176.88 2jrh h LYS 61 N 1.29 0.96 -0.41 3.56 1.57 -1.26 -2.38 116.57 119.90 2jrh h LYS 61 Ca 0.33 -0.41 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 2jrh h LYS 61 Cb -0.05 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2jrh h LYS 61 CO -0.06 1.08 0.04 0.00 -0.57 0.00 0.00 179.45 179.93 2jrh h ALA 62 N 0.90 0.55 -0.75 3.86 0.00 -0.79 -3.04 119.26 120.00 2jrh h ALA 62 Ca 0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2jrh h ALA 62 Cb 0.80 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2jrh h ALA 62 CO 0.07 0.30 0.33 0.82 0.00 0.00 0.00 179.25 180.76 2jrh h ILE 63 N 0.54 1.25 -0.86 0.00 2.04 -1.03 -2.49 117.51 116.97 2jrh h ILE 63 Ca 0.12 -0.74 0.18 0.00 1.00 0.00 0.00 64.86 65.42 2jrh h ILE 63 Cb 0.42 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 2jrh h ILE 63 CO 0.01 0.31 0.57 -0.78 0.00 0.00 0.00 178.15 178.26 2jrh h ASP 64 N 1.07 0.43 -0.27 1.72 3.58 -1.31 0.58 116.42 122.21 2jrh h ASP 64 Ca 0.25 0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.69 2jrh h ASP 64 Cb 0.17 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 2jrh h ASP 64 CO -0.03 0.19 -0.02 0.40 -2.88 0.00 0.00 179.24 176.90 2jrh h ILE 65 N 0.44 1.27 -0.28 2.25 1.08 -1.40 -0.70 117.51 120.16 2jrh h ILE 65 Ca 0.44 -0.98 -0.05 0.00 -0.39 0.00 0.00 64.86 63.88 2jrh h ILE 65 Cb 1.03 1.36 -0.01 0.00 -3.07 0.00 0.00 36.82 36.14 2jrh h ILE 65 CO -0.16 0.31 -0.03 -0.07 -0.69 0.00 0.00 178.15 177.51 2jrh h LEU 66 N 0.27 0.51 -0.86 1.44 3.38 -1.14 -2.46 115.31 116.45 2jrh h LEU 66 Ca 0.07 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 2jrh h LEU 66 Cb 0.46 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2jrh h LEU 66 CO 0.02 0.73 0.43 -0.78 0.09 0.00 0.00 178.44 178.93 2jrh h ASP 67 N 0.29 1.11 -0.34 -0.43 1.82 -0.94 -2.45 116.42 115.48 2jrh h ASP 67 Ca 0.08 -0.12 -0.04 0.00 -0.39 0.00 0.00 57.03 56.55 2jrh h ASP 67 Cb 0.48 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.19 2jrh h ASP 67 CO 0.02 0.92 0.09 0.03 -1.61 0.00 0.00 179.24 178.69 2jrh h ARG 68 N 1.22 0.63 -6.28 0.28 3.08 -1.03 -3.42 114.38 108.86 2jrh h ARG 68 Ca 0.30 -0.11 -0.55 0.00 0.07 0.00 0.00 59.98 59.68 2jrh h ARG 68 Cb 0.09 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2jrh h ARG 68 CO -0.04 0.58 0.94 0.45 -1.07 0.00 0.00 179.97 180.83 2jrh s SER 69 N -6.67 6.81 0.36 7.04 0.15 -0.92 -4.90 113.70 115.56 2jrh s SER 69 Ca -0.08 2.05 0.03 0.00 0.70 0.00 0.00 55.95 58.65 2jrh s SER 69 Cb 0.16 -2.55 0.67 0.00 -1.71 0.00 0.00 66.02 62.60 2jrh s SER 69 CO 0.77 -0.80 2.01 -1.28 1.20 0.00 0.00 173.24 175.14 2jrh h SER 70 N 8.51 0.69 0.00 5.45 0.87 -1.84 -3.32 113.55 123.91 2jrh h SER 70 Ca -0.36 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2jrh h SER 70 Cb 1.16 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 2jrh h SER 70 CO 0.94 0.49 0.00 -1.54 -0.53 0.00 0.00 176.83 176.19 2jrh n SER 71 N -4.45 0.00 -1.19 6.23 3.41 -1.26 -5.06 113.62 111.31 2jrh n SER 71 Ca 0.06 0.21 0.14 0.00 -0.26 0.00 0.00 58.87 59.03 2jrh n SER 71 Cb 0.06 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.93 2jrh n SER 71 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2jrh n MET 72 N -0.45 -2.76 0.15 4.33 1.56 -1.25 -5.07 117.12 113.64 2jrh n MET 72 Ca 0.00 2.27 0.00 0.00 -0.27 0.00 0.00 57.70 59.70 2jrh n MET 72 Cb 0.00 -3.22 0.00 0.00 2.15 0.00 0.00 33.22 32.15 2jrh n MET 72 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 2jrh n LYS 73 N -3.93 0.00 -3.92 2.12 -0.00 -1.26 -5.17 118.16 105.99 2jrh n LYS 73 Ca -0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.13 2jrh n LYS 73 Cb 0.57 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.58 2jrh n LYS 73 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2jrh s SER 74 N -2.00 0.12 -0.10 -5.58 0.01 -1.26 -4.81 113.70 100.09 2jrh s SER 74 Ca 0.00 -1.05 -0.18 0.00 1.31 0.00 0.00 55.95 56.03 2jrh s SER 74 Cb 0.00 0.72 -0.04 0.00 0.21 0.00 0.00 66.02 66.91 2jrh s SER 74 CO 0.00 -1.41 0.47 -0.76 0.41 0.00 0.00 173.24 171.95 2jrh s LEU 75 N -3.06 4.31 -1.16 2.44 1.02 -1.12 -4.95 118.68 116.16 2jrh s LEU 75 Ca 0.19 0.85 -0.08 0.00 0.02 0.00 0.00 54.13 55.11 2jrh s LEU 75 Cb -0.03 -2.69 0.24 0.00 0.02 0.00 0.00 46.19 43.74 2jrh s LEU 75 CO 0.12 0.05 1.46 -2.11 0.02 0.00 0.00 176.35 175.89 2jrh n ARG 76 N 3.36 3.83 -4.00 1.70 1.85 -1.26 -3.12 116.66 119.02 2jrh n ARG 76 Ca -0.08 -4.17 -0.35 0.00 -1.00 0.00 0.00 57.85 52.25 2jrh n ARG 76 Cb 0.52 -2.71 -0.10 0.00 -1.05 0.00 0.00 32.46 29.11 2jrh n ARG 76 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2jrh s ILE 77 N -0.85 4.75 -0.23 8.89 1.01 -1.24 -3.09 121.20 130.44 2jrh s ILE 77 Ca 0.35 -0.05 -0.03 0.00 0.00 0.00 0.00 60.65 60.92 2jrh s ILE 77 Cb 0.00 -3.14 0.01 0.00 0.01 0.00 0.00 42.46 39.33 2jrh s ILE 77 CO 0.01 0.45 -0.05 -0.22 0.00 0.00 0.00 174.94 175.13 2jrh s LEU 78 N 0.46 2.97 -0.17 2.97 0.20 0.56 -3.37 118.68 122.31 2jrh s LEU 78 Ca 0.03 -0.58 -0.07 0.00 0.69 0.00 0.00 54.13 54.21 2jrh s LEU 78 Cb -0.13 -1.70 -0.04 0.00 -0.43 0.00 0.00 46.19 43.89 2jrh s LEU 78 CO 0.01 -0.06 0.05 -1.48 -0.29 0.00 0.00 176.35 174.58 2jrh s LEU 79 N 1.42 3.79 0.27 -0.68 0.05 -1.18 -2.12 118.68 120.23 2jrh s LEU 79 Ca 0.04 0.10 0.12 0.00 0.05 0.00 0.00 54.13 54.43 2jrh s LEU 79 Cb -0.15 -1.94 -0.05 0.00 -2.05 0.00 0.00 46.19 42.00 2jrh s LEU 79 CO -0.04 0.21 -0.17 -1.48 -0.55 0.00 0.00 176.35 174.32 2jrh s LEU 80 N 0.15 2.69 0.19 1.48 0.05 -1.20 -4.61 118.68 117.42 2jrh s LEU 80 Ca 0.04 -0.96 -0.12 0.00 0.05 0.00 0.00 54.13 53.15 2jrh s LEU 80 Cb -0.12 -1.21 -0.07 0.00 -2.05 0.00 0.00 46.19 42.74 2jrh s LEU 80 CO 0.01 0.04 0.54 -0.44 -0.55 0.00 0.00 176.35 175.95 2jrh s SER 81 N -3.50 6.71 0.00 1.48 0.01 -1.26 -2.60 113.70 114.54 2jrh s SER 81 Ca 0.30 0.98 0.13 0.00 1.31 0.00 0.00 55.95 58.67 2jrh s SER 81 Cb -0.05 -2.25 0.78 0.00 0.21 0.00 0.00 66.02 64.70 2jrh s SER 81 CO 0.16 0.01 1.42 1.67 0.41 0.00 0.00 173.24 176.91 2jrh n GLN 82 N 0.31 0.90 -0.14 12.44 -0.06 -1.03 -4.81 117.38 124.99 2jrh n GLN 82 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.98 2jrh n GLN 82 Cb 0.52 -1.23 0.00 0.00 -4.06 0.00 0.00 30.24 25.47 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 -0.73 0.00 -3.84 1.69 -0.08 -1.26 -5.08 116.55 107.25 2jrh n ASP 83 Ca 0.10 -0.71 -0.30 0.00 -1.51 0.00 0.00 54.79 52.37 2jrh n ASP 83 Cb 0.04 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.35 2jrh n ASP 83 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2jrh s ARG 84 N -1.81 1.08 -0.32 -0.67 0.52 -1.26 -4.98 118.95 111.51 2jrh s ARG 84 Ca 0.00 -1.10 0.07 0.00 -0.52 0.00 0.00 55.73 54.19 2jrh s ARG 84 Cb 0.00 -2.37 0.47 0.00 0.52 0.00 0.00 34.95 33.57 2jrh s ARG 84 CO 0.00 -0.83 1.40 0.27 0.02 0.00 0.00 175.30 176.17 2jrh n ASN 85 N 4.73 3.65 -4.91 0.23 6.94 -1.26 -5.04 115.26 119.60 2jrh n ASN 85 Ca -0.05 -3.80 -0.27 0.00 -0.02 0.00 0.00 54.58 50.45 2jrh n ASN 85 Cb 0.43 -0.57 -0.01 0.00 -2.36 0.00 0.00 39.78 37.28 2jrh n ASN 85 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2jrh s LEU 86 N -3.42 3.75 0.12 -4.53 0.20 -1.26 -5.11 118.68 108.42 2jrh s LEU 86 Ca 0.48 0.81 -0.05 0.00 0.69 0.00 0.00 54.13 56.05 2jrh s LEU 86 Cb 0.41 -3.73 -0.02 0.00 -0.43 0.00 0.00 46.19 42.42 2jrh s LEU 86 CO -0.00 -0.49 0.15 -1.61 -0.29 0.00 0.00 176.35 174.11 2jrh s GLU 87 N -4.56 0.93 -0.07 1.98 2.02 -1.26 -5.16 118.70 112.58 2jrh s GLU 87 Ca 0.45 -1.20 -0.03 0.00 0.02 0.00 0.00 54.97 54.22 2jrh s GLU 87 Cb -0.10 0.31 0.04 0.00 0.10 0.00 0.00 34.13 34.47 2jrh s GLU 87 CO 0.42 -0.29 0.06 -1.01 0.02 0.00 0.00 175.26 174.46 2jrh s HIS 88 N -3.96 0.13 -0.13 1.61 3.76 -1.26 -5.01 115.29 110.43 2jrh s HIS 88 Ca 0.14 0.11 0.23 0.00 -0.15 0.00 0.00 55.06 55.39 2jrh s HIS 88 Cb 0.06 -0.55 0.45 0.00 1.11 0.00 0.00 32.58 33.65 2jrh s HIS 88 CO -0.04 -0.27 1.15 0.72 -0.85 0.00 0.00 174.74 175.45 2jrh n HIS 89 N 5.29 0.53 -4.09 1.40 8.25 -1.26 -5.10 115.22 120.24 2jrh n HIS 89 Ca -0.04 -1.30 -0.09 0.00 -0.26 0.00 0.00 57.72 56.02 2jrh n HIS 89 Cb 0.50 -0.12 -0.09 0.00 1.12 0.00 0.00 29.99 31.40 2jrh n HIS 89 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jrh s HIS 90 N -1.78 0.66 -0.45 4.41 3.76 -1.26 -5.05 115.29 115.58 2jrh s HIS 90 Ca 0.29 -1.08 0.02 0.00 -0.15 0.00 0.00 55.06 54.14 2jrh s HIS 90 Cb 0.35 -0.36 0.54 0.00 1.11 0.00 0.00 32.58 34.22 2jrh s HIS 90 CO -0.10 -0.52 1.88 0.72 -0.85 0.00 0.00 174.74 175.86 2jrh n HIS 91 N -0.06 2.78 -2.39 1.40 8.25 -1.26 -4.16 115.22 119.78 2jrh n HIS 91 Ca -0.08 -2.01 -0.03 0.00 -0.26 0.00 0.00 57.72 55.34 2jrh n HIS 91 Cb 0.63 -1.00 0.02 0.00 1.12 0.00 0.00 29.99 30.75 2jrh n HIS 91 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jrh n HIS 92 N -0.88 -0.52 -1.52 4.41 -0.00 -1.26 -5.34 115.22 110.11 2jrh n HIS 92 Ca 0.54 -1.08 0.00 0.00 -0.00 0.00 0.00 57.72 57.18 2jrh n HIS 92 Cb 1.30 0.66 0.00 0.00 -0.00 0.00 0.00 29.99 31.95 2jrh n HIS 92 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92