#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 4.34 0.13 1.08 0.01 -1.26 -4.96 113.70 113.04 2jrh s SER 2 Ca 0.00 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2jrh s SER 2 Cb 0.00 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.91 2jrh s SER 2 CO 0.00 -1.87 0.00 0.47 0.41 0.00 0.00 173.24 172.25 2jrh n ASP 3 N -2.93 -5.03 -4.06 2.44 8.00 -1.26 -4.91 116.55 108.80 2jrh n ASP 3 Ca 0.13 0.56 -0.16 0.00 0.71 0.00 0.00 54.79 56.04 2jrh n ASP 3 Cb 0.60 -1.90 -0.13 0.00 -0.02 0.00 0.00 41.12 39.67 2jrh n ASP 3 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2jrh s VAL 4 N -1.02 0.67 -0.10 2.53 1.01 -0.16 -4.93 120.40 118.41 2jrh s VAL 4 Ca 0.00 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 60.94 2jrh s VAL 4 Cb 0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 2jrh s VAL 4 CO 0.00 -0.17 0.40 -0.60 0.00 0.00 0.00 175.10 174.72 2jrh s ARG 5 N -1.16 4.18 -0.07 2.72 6.06 -1.26 -0.73 118.95 128.68 2jrh s ARG 5 Ca -0.04 0.32 0.03 0.00 -2.50 0.00 0.00 55.73 53.54 2jrh s ARG 5 Cb -0.08 -3.37 -0.02 0.00 0.06 0.00 0.00 34.95 31.55 2jrh s ARG 5 CO 0.01 0.35 -0.15 0.42 -2.50 0.00 0.00 175.30 173.42 2jrh s ILE 6 N 0.06 2.95 -0.22 4.11 1.01 0.12 -3.04 121.20 126.19 2jrh s ILE 6 Ca 0.22 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 60.07 2jrh s ILE 6 Cb -0.15 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 2jrh s ILE 6 CO 0.09 0.57 0.02 -0.54 0.00 0.00 0.00 174.94 175.08 2jrh s LYS 7 N -0.34 3.59 -0.04 2.79 1.02 -0.76 -2.03 119.74 123.97 2jrh s LYS 7 Ca 0.03 -0.52 0.05 0.00 0.02 0.00 0.00 55.97 55.55 2jrh s LYS 7 Cb -0.13 -3.15 -0.02 0.00 -0.52 0.00 0.00 37.83 34.01 2jrh s LYS 7 CO 0.02 -0.09 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.11 2jrh s PHE 8 N 1.28 2.54 -0.09 3.18 0.08 -0.92 -2.88 117.98 121.17 2jrh s PHE 8 Ca 0.04 -0.28 0.04 0.00 0.12 0.00 0.00 56.93 56.85 2jrh s PHE 8 Cb -0.15 -1.58 -0.00 0.00 -0.57 0.00 0.00 43.02 40.72 2jrh s PHE 8 CO 0.01 0.09 -0.23 -1.21 -0.10 0.00 0.00 175.22 173.78 2jrh s GLU 9 N -0.67 2.96 -0.13 0.44 2.02 -1.16 -0.52 118.70 121.64 2jrh s GLU 9 Ca 0.11 -0.86 -0.02 0.00 0.02 0.00 0.00 54.97 54.21 2jrh s GLU 9 Cb -0.10 -2.30 0.04 0.00 0.10 0.00 0.00 34.13 31.87 2jrh s GLU 9 CO -0.00 0.24 0.03 -1.58 0.02 0.00 0.00 175.26 173.97 2jrh s HIS 10 N 0.21 0.71 -1.51 1.61 2.46 -0.08 -2.87 115.29 115.83 2jrh s HIS 10 Ca -0.14 -0.44 -0.06 0.00 0.47 0.00 0.00 55.06 54.90 2jrh s HIS 10 Cb -0.17 -0.86 0.02 0.00 -0.13 0.00 0.00 32.58 31.44 2jrh s HIS 10 CO 0.07 -0.46 0.58 0.09 -2.47 0.00 0.00 174.74 172.55 2jrh n ASN 11 N 5.14 -5.65 0.00 9.88 3.02 -1.26 -1.69 115.26 124.69 2jrh n ASN 11 Ca -0.08 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 2jrh n ASN 11 Cb 0.49 -4.58 0.00 0.00 -0.61 0.00 0.00 39.78 35.08 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 -1.45 2.74 3.75 7.41 0.00 -1.26 -5.03 105.19 111.35 2jrh n GLY 12 Ca -0.10 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 2.93 -0.01 1.61 2.12 -0.68 -5.03 118.70 119.63 2jrh s GLU 13 Ca 0.00 1.80 0.07 0.00 0.36 0.00 0.00 54.97 57.20 2jrh s GLU 13 Cb 0.00 -1.93 -0.02 0.00 0.26 0.00 0.00 34.13 32.44 2jrh s GLU 13 CO 0.00 -1.24 -0.23 -0.98 -0.54 0.00 0.00 175.26 172.28 2jrh s ARG 14 N -3.40 2.15 0.06 4.30 1.70 -1.26 -0.90 118.95 121.60 2jrh s ARG 14 Ca 0.77 -0.91 0.06 0.00 -0.47 0.00 0.00 55.73 55.18 2jrh s ARG 14 Cb -0.30 -2.12 -0.03 0.00 -0.57 0.00 0.00 34.95 31.94 2jrh s ARG 14 CO 0.34 0.57 -0.16 1.03 -1.08 0.00 0.00 175.30 176.00 2jrh s ARG 15 N -0.79 0.96 -0.15 3.89 0.52 0.32 -5.01 118.95 118.68 2jrh s ARG 15 Ca 0.11 -0.90 -0.00 0.00 -0.52 0.00 0.00 55.73 54.42 2jrh s ARG 15 Cb -0.10 -1.01 -0.01 0.00 0.52 0.00 0.00 34.95 34.35 2jrh s ARG 15 CO 0.00 0.24 -0.13 0.42 0.02 0.00 0.00 175.30 175.85 2jrh s ILE 16 N -1.04 2.88 -0.01 1.52 1.01 -1.26 -2.17 121.20 122.13 2jrh s ILE 16 Ca 0.01 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 59.96 2jrh s ILE 16 Cb -0.09 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.17 2jrh s ILE 16 CO 0.02 0.51 0.02 -0.51 0.00 0.00 0.00 174.94 174.98 2jrh s ILE 17 N 0.72 -0.03 -0.09 2.92 1.10 -0.86 -5.02 121.20 119.94 2jrh s ILE 17 Ca -0.06 0.10 -0.05 0.00 -0.51 0.00 0.00 60.65 60.13 2jrh s ILE 17 Cb -0.15 -0.05 -0.04 0.00 0.15 0.00 0.00 42.46 42.36 2jrh s ILE 17 CO 0.02 0.04 0.11 0.00 -2.11 0.00 0.00 174.94 173.00 2jrh s ALA 18 N 0.51 3.74 0.13 1.50 0.00 -1.26 0.12 121.76 126.49 2jrh s ALA 18 Ca -0.04 -0.71 0.08 0.00 0.00 0.00 0.00 51.96 51.28 2jrh s ALA 18 Cb -0.06 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 2jrh s ALA 18 CO -0.01 0.63 -0.18 -0.06 0.00 0.00 0.00 175.76 176.14 2jrh s PHE 19 N -1.05 1.66 0.02 0.00 0.40 0.09 -4.97 117.98 114.13 2jrh s PHE 19 Ca 0.17 -0.47 -0.10 0.00 -0.60 0.00 0.00 56.93 55.92 2jrh s PHE 19 Cb -0.12 -0.87 -0.05 0.00 0.51 0.00 0.00 43.02 42.49 2jrh s PHE 19 CO 0.06 0.23 0.34 0.45 0.70 0.00 0.00 175.22 177.00 2jrh s SER 20 N -2.31 6.63 -0.05 1.36 0.15 -1.26 -0.99 113.70 117.23 2jrh s SER 20 Ca 0.10 0.76 -0.10 0.00 0.70 0.00 0.00 55.95 57.41 2jrh s SER 20 Cb -0.07 -2.17 -0.05 0.00 -1.71 0.00 0.00 66.02 62.02 2jrh s SER 20 CO 0.05 0.26 0.26 -0.60 1.20 0.00 0.00 173.24 174.41 2jrh s ARG 21 N -1.52 3.64 0.36 5.44 3.52 -1.26 -3.06 118.95 126.07 2jrh s ARG 21 Ca 0.27 0.08 -0.26 0.00 -0.13 0.00 0.00 55.73 55.69 2jrh s ARG 21 Cb -0.14 -3.18 -0.09 0.00 -1.56 0.00 0.00 34.95 29.98 2jrh s ARG 21 CO 0.15 0.72 1.07 -2.14 -0.81 0.00 0.00 175.30 174.29 2jrh s PRO 22 N -1.18 4.31 -0.14 5.12 0.02 -1.26 -4.77 135.00 137.10 2jrh s PRO 22 Ca 0.20 1.63 -0.05 0.00 0.02 0.00 0.00 61.00 62.81 2jrh s PRO 22 Cb -0.14 -2.76 -0.03 0.00 0.02 0.00 0.00 34.50 31.58 2jrh s PRO 22 CO 0.10 -0.04 0.02 0.54 -0.33 0.00 0.00 177.00 177.29 2jrh s VAL 23 N -1.47 4.43 -0.03 3.83 0.11 -1.17 -5.11 120.40 120.98 2jrh s VAL 23 Ca 0.53 -0.18 -0.07 0.00 -2.93 0.00 0.00 61.98 59.33 2jrh s VAL 23 Cb -0.26 -2.94 -0.05 0.00 -1.53 0.00 0.00 36.38 31.61 2jrh s VAL 23 CO 0.33 0.53 0.24 -0.54 -3.33 0.00 0.00 175.10 172.32 2jrh s LYS 24 N -0.12 3.57 0.19 1.54 3.01 -1.26 -5.01 119.74 121.66 2jrh s LYS 24 Ca 0.05 -0.05 -0.12 0.00 -1.01 0.00 0.00 55.97 54.84 2jrh s LYS 24 Cb -0.12 -3.13 0.10 0.00 -1.01 0.00 0.00 37.83 33.66 2jrh s LYS 24 CO 0.02 0.70 1.84 -0.92 0.51 0.00 0.00 175.35 177.50 2jrh h TYR 25 N 4.37 0.80 -0.82 3.18 3.20 -1.99 -1.76 116.97 123.95 2jrh h TYR 25 Ca -0.52 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.37 2jrh h TYR 25 Cb 1.21 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.17 2jrh h TYR 25 CO 0.71 0.52 0.54 0.93 -1.64 0.00 0.00 178.16 179.22 2jrh h GLU 26 N 0.84 1.08 -0.42 1.82 4.39 -1.98 0.10 114.58 120.41 2jrh h GLU 26 Ca 0.23 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 2jrh h GLU 26 Cb -0.07 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.32 2jrh h GLU 26 CO -0.05 0.72 0.13 0.22 -1.16 0.00 0.00 179.01 178.87 2jrh h ASP 27 N 1.11 0.61 -0.14 1.42 1.82 -1.88 -0.68 116.42 118.69 2jrh h ASP 27 Ca 0.30 -0.20 -0.03 0.00 -0.39 0.00 0.00 57.03 56.71 2jrh h ASP 27 Cb -0.12 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 39.72 2jrh h ASP 27 CO -0.06 0.65 -0.03 0.58 -1.61 0.00 0.00 179.24 178.77 2jrh h VAL 28 N 0.54 1.29 -0.49 2.25 2.07 -1.02 -2.67 116.25 118.22 2jrh h VAL 28 Ca 0.14 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.73 2jrh h VAL 28 Cb 0.26 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 2jrh h VAL 28 CO -0.00 0.28 0.26 -0.08 0.02 0.00 0.00 177.57 178.05 2jrh h GLU 29 N -0.04 0.50 -0.39 1.57 4.22 -0.76 0.12 114.58 119.81 2jrh h GLU 29 Ca 0.04 -0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.49 2jrh h GLU 29 Cb 0.45 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2jrh h GLU 29 CO 0.01 0.33 0.15 1.25 -2.18 0.00 0.00 179.01 178.57 2jrh h HIS 30 N 0.52 0.26 -0.02 0.92 2.76 -1.10 0.19 115.15 118.68 2jrh h HIS 30 Ca 0.21 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.39 2jrh h HIS 30 Cb 0.09 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 28.98 2jrh h HIS 30 CO -0.09 0.11 -0.00 -0.22 -1.30 0.00 0.00 177.93 176.43 2jrh h LYS 31 N 0.31 0.05 -0.57 5.26 3.64 -1.11 -2.39 116.57 121.77 2jrh h LYS 31 Ca 0.18 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 2jrh h LYS 31 Cb 0.14 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 2jrh h LYS 31 CO -0.17 0.39 0.33 0.28 -2.27 0.00 0.00 179.45 178.01 2jrh h VAL 32 N -0.30 1.04 -0.89 2.00 2.07 -0.58 0.13 116.25 119.71 2jrh h VAL 32 Ca 0.01 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2jrh h VAL 32 Cb 0.37 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2jrh h VAL 32 CO 0.00 0.12 0.52 0.74 0.02 0.00 0.00 177.57 178.97 2jrh h THR 33 N 0.66 1.25 -0.15 2.57 2.02 -0.62 -0.56 112.91 118.07 2jrh h THR 33 Ca 0.24 -0.58 -0.15 0.00 0.77 0.00 0.00 66.41 66.68 2jrh h THR 33 Cb 0.06 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 2jrh h THR 33 CO -0.12 0.27 -0.48 0.74 0.37 0.00 0.00 175.52 176.30 2jrh h THR 34 N 1.24 1.34 0.20 3.16 2.02 -0.91 0.59 112.91 120.55 2jrh h THR 34 Ca 0.32 -1.75 -0.01 0.00 0.77 0.00 0.00 66.41 65.74 2jrh h THR 34 Cb -0.02 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 2jrh h THR 34 CO -0.06 0.54 -0.10 0.58 0.37 0.00 0.00 175.52 176.86 2jrh h VAL 35 N 0.24 0.86 0.00 3.16 2.07 -0.57 -3.20 116.25 118.80 2jrh h VAL 35 Ca -0.02 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2jrh h VAL 35 Cb 1.11 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2jrh h VAL 35 CO 0.10 0.06 -0.67 -0.26 0.02 0.00 0.00 177.57 176.83 2jrh h PHE 36 N -0.39 0.00 0.00 1.57 0.04 -1.21 -3.51 116.94 113.44 2jrh h PHE 36 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 2jrh h PHE 36 Cb 0.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.45 2jrh h PHE 36 CO -0.03 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.09 2jrh n GLY 37 N 1.20 0.29 3.03 -1.45 0.00 0.21 -5.05 105.19 103.41 2jrh n GLY 37 Ca 0.02 -2.06 -0.08 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.03 0.45 0.25 1.61 0.00 -1.25 -4.23 119.66 115.46 2jrh s GLN 38 Ca 0.00 -0.85 -0.23 0.00 -0.00 0.00 0.00 55.36 54.28 2jrh s GLN 38 Cb 0.00 0.16 -0.09 0.00 0.00 0.00 0.00 33.01 33.08 2jrh s GLN 38 CO 0.00 -0.08 0.82 -1.25 0.00 0.00 0.00 175.29 174.77 2jrh s PRO 39 N -2.47 4.42 -0.00 9.60 0.04 -1.26 -5.11 135.00 140.21 2jrh s PRO 39 Ca -0.06 1.08 0.01 0.00 0.04 0.00 0.00 61.00 62.06 2jrh s PRO 39 Cb -0.03 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.62 2jrh s PRO 39 CO -0.05 0.37 -0.02 -0.51 0.04 0.00 0.00 177.00 176.84 2jrh s LEU 40 N -1.90 1.91 -0.26 -3.56 1.43 -1.26 -3.57 118.68 111.47 2jrh s LEU 40 Ca 0.45 -0.03 -0.08 0.00 -1.03 0.00 0.00 54.13 53.43 2jrh s LEU 40 Cb -0.18 -0.11 -0.03 0.00 0.03 0.00 0.00 46.19 45.90 2jrh s LEU 40 CO 0.23 0.01 0.10 -0.62 0.23 0.00 0.00 176.35 176.30 2jrh s ASP 41 N 0.07 5.34 -0.38 2.29 -1.08 0.15 -4.94 116.67 118.12 2jrh s ASP 41 Ca -0.00 -0.21 -0.24 0.00 -0.52 0.00 0.00 52.55 51.57 2jrh s ASP 41 Cb -0.02 -1.97 0.01 0.00 -1.46 0.00 0.00 42.92 39.49 2jrh s ASP 41 CO -0.00 -0.06 0.86 -1.48 0.52 0.00 0.00 175.17 175.01 2jrh s LEU 42 N 1.64 4.07 -0.21 -1.34 0.05 -1.26 -0.22 118.68 121.40 2jrh s LEU 42 Ca 0.06 0.39 -0.03 0.00 0.05 0.00 0.00 54.13 54.61 2jrh s LEU 42 Cb -0.15 -3.14 0.00 0.00 -2.05 0.00 0.00 46.19 40.85 2jrh s LEU 42 CO 0.05 -0.83 -0.08 -2.28 -0.55 0.00 0.00 176.35 172.66 2jrh s HIS 43 N 3.34 2.93 -0.19 3.48 2.46 0.66 -4.32 115.29 123.65 2jrh s HIS 43 Ca 0.35 -1.16 -0.09 0.00 0.47 0.00 0.00 55.06 54.63 2jrh s HIS 43 Cb -0.12 -2.06 -0.05 0.00 -0.13 0.00 0.00 32.58 30.22 2jrh s HIS 43 CO 0.19 -0.63 0.10 -0.47 -2.47 0.00 0.00 174.74 171.46 2jrh s TYR 44 N 1.42 3.33 -0.10 3.88 6.14 -0.15 -0.24 117.35 131.63 2jrh s TYR 44 Ca 0.05 0.20 0.02 0.00 0.64 0.00 0.00 57.07 57.97 2jrh s TYR 44 Cb -0.14 -2.12 -0.02 0.00 0.42 0.00 0.00 41.96 40.10 2jrh s TYR 44 CO -0.06 0.21 -0.15 0.00 0.64 0.00 0.00 175.55 176.20 2jrh s MET 45 N 0.39 3.06 -0.12 4.97 0.23 -1.24 -0.07 119.30 126.53 2jrh s MET 45 Ca 0.06 -0.71 -0.04 0.00 -1.03 0.00 0.00 55.69 53.97 2jrh s MET 45 Cb -0.12 -2.52 -0.02 0.00 -1.53 0.00 0.00 34.83 30.65 2jrh s MET 45 CO -0.01 0.35 -0.04 -0.97 -2.03 0.00 0.00 175.02 172.32 2jrh h ASN 46 N 6.25 0.00 0.00 -1.18 -1.24 -1.89 -3.46 115.58 114.06 2jrh h ASN 46 Ca -0.32 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.66 2jrh h ASN 46 Cb 1.19 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.24 2jrh h ASN 46 CO 0.53 0.60 0.00 0.59 -1.29 0.00 0.00 177.43 177.87 2jrh n ASN 47 N -4.72 -1.14 -0.01 1.15 3.02 -1.26 -4.97 115.26 107.33 2jrh n ASN 47 Ca -0.03 0.36 0.01 0.00 -0.03 0.00 0.00 54.58 54.89 2jrh n ASN 47 Cb 0.10 1.24 0.01 0.00 -0.61 0.00 0.00 39.78 40.52 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 -2.99 2.41 -4.41 3.52 4.71 -1.26 -5.06 120.64 117.57 2jrh n GLU 48 Ca 0.00 -1.41 -0.20 0.00 -0.01 0.00 0.00 57.16 55.53 2jrh n GLU 48 Cb 0.00 -0.95 -0.10 0.00 -1.01 0.00 0.00 31.44 29.38 2jrh n GLU 48 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2jrh s LEU 49 N -0.96 2.43 -0.19 -4.62 2.01 -1.26 -5.14 118.68 110.96 2jrh s LEU 49 Ca 0.02 -1.19 0.01 0.00 0.01 0.00 0.00 54.13 52.98 2jrh s LEU 49 Cb 0.02 -0.57 0.03 0.00 0.01 0.00 0.00 46.19 45.67 2jrh s LEU 49 CO 0.00 -0.37 -0.17 -0.44 1.01 0.00 0.00 176.35 176.38 2jrh s SER 50 N -3.41 3.23 -0.07 2.29 0.01 -1.26 -3.25 113.70 111.23 2jrh s SER 50 Ca 0.29 -0.73 0.05 0.00 1.31 0.00 0.00 55.95 56.87 2jrh s SER 50 Cb 0.04 -1.42 -0.01 0.00 0.21 0.00 0.00 66.02 64.84 2jrh s SER 50 CO 0.11 -0.04 -0.24 -0.63 0.41 0.00 0.00 173.24 172.84 2jrh s ILE 51 N 1.31 2.04 -0.24 1.44 1.01 0.90 -5.00 121.20 122.66 2jrh s ILE 51 Ca 0.03 -1.04 -0.09 0.00 0.00 0.00 0.00 60.65 59.56 2jrh s ILE 51 Cb -0.14 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 2jrh s ILE 51 CO -0.11 0.56 0.11 -0.22 0.00 0.00 0.00 174.94 175.28 2jrh s LEU 52 N 0.06 3.75 -0.94 2.97 0.20 -1.26 -0.98 118.68 122.47 2jrh s LEU 52 Ca -0.10 -0.06 -0.23 0.00 0.69 0.00 0.00 54.13 54.44 2jrh s LEU 52 Cb -0.15 -2.00 0.07 0.00 -0.43 0.00 0.00 46.19 43.67 2jrh s LEU 52 CO 0.06 0.02 1.33 -0.76 -0.29 0.00 0.00 176.35 176.71 2jrh s LEU 53 N 1.32 3.84 -0.07 -0.68 1.43 -1.26 -4.78 118.68 118.49 2jrh s LEU 53 Ca 0.06 -1.43 0.09 0.00 -1.03 0.00 0.00 54.13 51.82 2jrh s LEU 53 Cb -0.15 -2.52 -0.24 0.00 0.03 0.00 0.00 46.19 43.31 2jrh s LEU 53 CO 0.05 -1.45 0.56 1.17 0.23 0.00 0.00 176.35 176.91 2jrh n LYS 54 N 8.38 0.66 -4.36 1.70 0.00 -1.26 -4.95 118.16 118.33 2jrh n LYS 54 Ca 0.25 0.27 -0.24 0.00 0.00 0.00 0.00 58.31 58.60 2jrh n LYS 54 Cb 0.50 -1.76 -0.08 0.00 0.00 0.00 0.00 35.03 33.68 2jrh n LYS 54 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2jrh s ASN 55 N -6.26 4.15 0.44 3.14 -0.87 -1.26 -5.03 114.94 109.24 2jrh s ASN 55 Ca -0.09 -0.90 0.12 0.00 -1.57 0.00 0.00 52.86 50.42 2jrh s ASN 55 Cb 0.08 -0.57 0.97 0.00 -0.02 0.00 0.00 41.25 41.71 2jrh s ASN 55 CO 0.81 -0.10 2.02 -0.61 -2.57 0.00 0.00 177.10 176.64 2jrh h GLN 56 N 1.94 0.17 -0.60 -0.60 4.15 -2.00 -2.67 115.11 115.49 2jrh h GLN 56 Ca -0.43 -0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.07 2jrh h GLN 56 Cb 1.25 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.84 2jrh h GLN 56 CO 0.63 0.23 0.20 0.22 -1.93 0.00 0.00 178.83 178.18 2jrh h ASP 57 N 0.17 0.17 -0.48 -0.69 1.82 -2.00 -0.99 116.42 114.42 2jrh h ASP 57 Ca 0.04 0.08 -0.06 0.00 -0.39 0.00 0.00 57.03 56.70 2jrh h ASP 57 Cb 0.19 0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.26 2jrh h ASP 57 CO 0.01 0.10 0.09 -0.78 -1.61 0.00 0.00 179.24 177.05 2jrh h ASP 58 N 0.37 0.80 -0.27 2.28 3.58 -1.89 -1.20 116.42 120.10 2jrh h ASP 58 Ca 0.31 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.59 2jrh h ASP 58 Cb 0.40 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 2jrh h ASP 58 CO -0.32 0.82 0.15 0.25 -2.88 0.00 0.00 179.24 177.26 2jrh h LEU 59 N 0.81 0.33 -1.01 2.28 7.12 -1.20 -2.18 115.31 121.46 2jrh h LEU 59 Ca 0.17 -0.07 -0.10 0.00 0.13 0.00 0.00 57.88 58.01 2jrh h LEU 59 Cb 0.36 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.40 2jrh h LEU 59 CO 0.01 0.30 -0.38 -0.78 -0.13 0.00 0.00 178.44 177.46 2jrh h ASP 60 N 0.33 0.22 -0.69 1.25 3.58 -1.12 -2.91 116.42 117.08 2jrh h ASP 60 Ca 0.09 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2jrh h ASP 60 Cb 0.04 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 2jrh h ASP 60 CO -0.02 0.59 0.30 0.50 -2.88 0.00 0.00 179.24 177.74 2jrh h LYS 61 N 0.18 1.04 -0.39 0.28 3.64 -0.82 -2.44 116.57 118.05 2jrh h LYS 61 Ca 0.02 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.16 2jrh h LYS 61 Cb 0.76 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 2jrh h LYS 61 CO 0.06 0.83 -0.08 0.00 -2.27 0.00 0.00 179.45 177.98 2jrh h ALA 62 N 1.31 1.12 -0.25 5.00 0.00 -1.21 -3.00 119.26 122.23 2jrh h ALA 62 Ca 0.24 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2jrh h ALA 62 Cb 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2jrh h ALA 62 CO -0.02 0.55 0.14 0.82 0.00 0.00 0.00 179.25 180.74 2jrh h ILE 63 N 0.62 1.02 -0.80 0.00 1.08 -1.37 -0.24 117.51 117.82 2jrh h ILE 63 Ca 0.11 -0.10 0.09 0.00 -0.39 0.00 0.00 64.86 64.57 2jrh h ILE 63 Cb 0.51 0.70 -0.07 0.00 -3.07 0.00 0.00 36.82 34.90 2jrh h ILE 63 CO 0.03 0.05 0.46 0.44 -0.69 0.00 0.00 178.15 178.44 2jrh h ASP 64 N 0.29 0.66 -0.36 1.72 3.32 -1.39 -0.56 116.42 120.11 2jrh h ASP 64 Ca 0.10 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 2jrh h ASP 64 Cb 0.00 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2jrh h ASP 64 CO -0.05 0.39 -0.11 0.40 -1.72 0.00 0.00 179.24 178.15 2jrh h ILE 65 N 0.78 1.28 -0.48 0.35 2.04 -1.35 -2.07 117.51 118.06 2jrh h ILE 65 Ca 0.38 -1.20 0.02 0.00 1.00 0.00 0.00 64.86 65.06 2jrh h ILE 65 Cb 0.33 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 2jrh h ILE 65 CO -0.23 0.39 0.28 0.25 0.00 0.00 0.00 178.15 178.84 2jrh h LEU 66 N 0.50 0.46 -1.21 1.44 5.85 -0.31 -2.00 115.31 120.03 2jrh h LEU 66 Ca 0.09 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 2jrh h LEU 66 Cb 0.63 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2jrh h LEU 66 CO 0.04 0.32 -0.20 0.44 -0.34 0.00 0.00 178.44 178.70 2jrh h ASP 67 N 0.57 0.28 -0.10 1.25 3.32 -1.08 -2.69 116.42 117.97 2jrh h ASP 67 Ca 0.19 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 2jrh h ASP 67 Cb 0.02 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2jrh h ASP 67 CO -0.09 0.50 -0.09 0.03 -1.72 0.00 0.00 179.24 177.87 2jrh h ARG 68 N 0.27 0.40 -4.61 3.56 2.47 -0.65 -3.39 114.38 112.43 2jrh h ARG 68 Ca 0.05 -0.10 -0.70 0.00 -1.26 0.00 0.00 59.98 57.97 2jrh h ARG 68 Cb 0.52 -0.05 -0.23 0.00 -1.65 0.00 0.00 29.97 28.55 2jrh h ARG 68 CO 0.03 0.51 -0.50 0.45 0.56 0.00 0.00 179.97 181.02 2jrh s SER 69 N -6.80 5.79 0.22 7.04 0.15 -0.94 -4.96 113.70 114.20 2jrh s SER 69 Ca -0.07 -0.88 -0.07 0.00 0.70 0.00 0.00 55.95 55.64 2jrh s SER 69 Cb 0.15 -2.05 0.19 0.00 -1.71 0.00 0.00 66.02 62.59 2jrh s SER 69 CO 0.76 -0.36 1.81 0.77 1.20 0.00 0.00 173.24 177.42 2jrh h SER 70 N 8.46 1.12 -0.41 5.45 4.64 -1.78 -2.56 113.55 128.47 2jrh h SER 70 Ca -0.27 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 60.90 2jrh h SER 70 Cb 1.12 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.90 2jrh h SER 70 CO 0.67 0.95 0.22 0.77 -0.87 0.00 0.00 176.83 178.57 2jrh h SER 71 N 1.22 0.53 -2.63 4.97 4.64 -1.93 -3.36 113.55 116.99 2jrh h SER 71 Ca 0.29 -0.04 -0.69 0.00 -0.47 0.00 0.00 61.79 60.88 2jrh h SER 71 Cb 0.13 -0.13 -0.18 0.00 -0.31 0.00 0.00 62.40 61.90 2jrh h SER 71 CO -0.04 0.44 0.64 -0.32 -0.87 0.00 0.00 176.83 176.69 2jrh s MET 72 N -5.39 3.47 -0.20 4.77 0.00 -0.97 -4.79 119.30 116.20 2jrh s MET 72 Ca -0.08 -1.65 0.09 0.00 0.00 0.00 0.00 55.69 54.05 2jrh s MET 72 Cb 0.17 -4.70 -0.22 0.00 0.00 0.00 0.00 34.83 30.08 2jrh s MET 72 CO 0.75 -1.71 0.06 0.36 0.00 0.00 0.00 175.02 174.48 2jrh n LYS 73 N 6.44 0.68 -2.77 4.11 2.85 -1.26 -4.68 118.16 123.53 2jrh n LYS 73 Ca 0.15 0.11 -0.23 0.00 -1.05 0.00 0.00 58.31 57.30 2jrh n LYS 73 Cb 0.48 -1.57 0.02 0.00 -0.65 0.00 0.00 35.03 33.31 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 -6.09 5.56 -0.27 -5.58 0.01 -1.26 -4.64 113.70 101.44 2jrh s SER 74 Ca -0.20 0.23 -0.13 0.00 1.31 0.00 0.00 55.95 57.16 2jrh s SER 74 Cb 0.07 -1.29 -0.04 0.00 0.21 0.00 0.00 66.02 64.97 2jrh s SER 74 CO 0.74 -0.94 0.29 -0.76 0.41 0.00 0.00 173.24 172.98 2jrh s LEU 75 N -4.70 4.04 -1.08 2.44 1.43 -1.17 -4.92 118.68 114.72 2jrh s LEU 75 Ca 0.53 0.18 -0.16 0.00 -1.03 0.00 0.00 54.13 53.65 2jrh s LEU 75 Cb -0.10 -2.29 0.15 0.00 0.03 0.00 0.00 46.19 43.98 2jrh s LEU 75 CO 0.39 -0.11 1.30 -0.13 0.23 0.00 0.00 176.35 178.03 2jrh s ARG 76 N 1.83 3.87 -0.16 1.70 0.52 -1.26 -1.84 118.95 123.62 2jrh s ARG 76 Ca 0.12 -2.23 0.01 0.00 -0.52 0.00 0.00 55.73 53.11 2jrh s ARG 76 Cb -0.16 -5.00 0.00 0.00 0.52 0.00 0.00 34.95 30.32 2jrh s ARG 76 CO 0.10 -1.77 -0.17 0.42 0.02 0.00 0.00 175.30 173.90 2jrh s ILE 77 N 2.05 2.44 -0.25 1.52 1.01 -1.14 -3.59 121.20 123.23 2jrh s ILE 77 Ca 0.38 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 2jrh s ILE 77 Cb -0.04 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.42 2jrh s ILE 77 CO -0.04 0.52 -0.01 -0.22 0.00 0.00 0.00 174.94 175.20 2jrh s LEU 78 N 0.93 3.27 -0.13 2.97 2.96 0.67 -2.97 118.68 126.38 2jrh s LEU 78 Ca -0.04 -0.59 -0.06 0.00 -0.22 0.00 0.00 54.13 53.23 2jrh s LEU 78 Cb -0.15 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 2jrh s LEU 78 CO -0.03 -0.10 0.07 -1.48 -1.32 0.00 0.00 176.35 173.50 2jrh s LEU 79 N 1.46 3.95 0.25 -0.68 0.05 -1.14 -0.24 118.68 122.33 2jrh s LEU 79 Ca 0.04 0.23 0.12 0.00 0.05 0.00 0.00 54.13 54.56 2jrh s LEU 79 Cb -0.16 -1.96 -0.05 0.00 -2.05 0.00 0.00 46.19 41.98 2jrh s LEU 79 CO -0.02 0.31 -0.19 -0.76 -0.55 0.00 0.00 176.35 175.14 2jrh s LEU 80 N -0.46 2.61 0.03 1.48 1.02 0.69 -4.59 118.68 119.45 2jrh s LEU 80 Ca 0.10 -0.94 -0.20 0.00 0.02 0.00 0.00 54.13 53.11 2jrh s LEU 80 Cb -0.12 -1.19 -0.06 0.00 0.02 0.00 0.00 46.19 44.84 2jrh s LEU 80 CO 0.02 0.06 0.59 -0.44 0.02 0.00 0.00 176.35 176.60 2jrh s SER 81 N -3.26 7.02 0.00 2.29 0.01 -1.26 0.32 113.70 118.82 2jrh s SER 81 Ca 0.27 1.21 0.20 0.00 1.31 0.00 0.00 55.95 58.94 2jrh s SER 81 Cb -0.06 -2.37 0.78 0.00 0.21 0.00 0.00 66.02 64.58 2jrh s SER 81 CO 0.14 0.17 1.55 1.67 0.41 0.00 0.00 173.24 177.19 2jrh n GLN 82 N 2.30 1.61 -1.07 12.44 -0.06 -1.23 -3.71 117.38 127.66 2jrh n GLN 82 Ca -0.08 -0.92 0.02 0.00 -2.00 0.00 0.00 57.00 54.02 2jrh n GLN 82 Cb 0.51 -1.37 0.02 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 0.15 0.62 -2.80 1.69 9.92 -1.26 -4.97 116.55 119.90 2jrh n ASP 83 Ca 0.15 -2.04 -0.02 0.00 -0.53 0.00 0.00 54.79 52.35 2jrh n ASP 83 Cb 0.28 -0.26 0.01 0.00 -0.64 0.00 0.00 41.12 40.51 2jrh n ASP 83 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2jrh s ARG 84 N -0.08 0.65 -0.02 -1.24 0.52 -1.24 -5.15 118.95 112.38 2jrh s ARG 84 Ca 0.20 -0.54 -0.01 0.00 -0.52 0.00 0.00 55.73 54.87 2jrh s ARG 84 Cb 0.23 -0.00 0.02 0.00 0.52 0.00 0.00 34.95 35.72 2jrh s ARG 84 CO -0.10 -0.83 0.04 1.21 0.02 0.00 0.00 175.30 175.65 2jrh s ASN 85 N 1.20 0.01 0.00 0.23 3.04 -1.26 -4.45 114.94 113.70 2jrh s ASN 85 Ca 0.24 0.07 0.00 0.00 0.04 0.00 0.00 52.86 53.21 2jrh s ASN 85 Cb 0.04 0.01 0.00 0.00 -1.54 0.00 0.00 41.25 39.75 2jrh s ASN 85 CO -0.08 -0.09 0.00 0.18 -3.04 0.00 0.00 177.10 174.07 2jrh n LEU 86 N 3.77 0.00 -4.52 3.21 4.77 -1.26 -5.16 117.00 117.81 2jrh n LEU 86 Ca -0.22 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.43 2jrh n LEU 86 Cb 0.54 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.75 2jrh n LEU 86 CO 0.23 0.00 0.23 -0.62 -1.33 0.00 0.00 177.39 175.90 2jrh n GLU 87 N -0.66 -0.16 -1.77 3.23 1.02 -1.26 -5.01 120.64 116.03 2jrh n GLU 87 Ca 0.00 0.01 -0.29 0.00 -0.02 0.00 0.00 57.16 56.86 2jrh n GLU 87 Cb 0.00 -2.05 0.14 0.00 -0.02 0.00 0.00 31.44 29.51 2jrh n GLU 87 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2jrh s HIS 88 N -2.33 2.27 -0.13 -0.32 2.46 -1.26 -5.05 115.29 110.93 2jrh s HIS 88 Ca 0.63 0.62 -0.09 0.00 0.47 0.00 0.00 55.06 56.70 2jrh s HIS 88 Cb -0.25 -3.66 -0.06 0.00 -0.13 0.00 0.00 32.58 28.48 2jrh s HIS 88 CO 0.61 -2.32 -0.20 1.58 -2.47 0.00 0.00 174.74 171.94 2jrh n HIS 89 N -3.66 0.00 -2.29 3.88 -0.00 -1.26 -5.12 115.22 106.77 2jrh n HIS 89 Ca 0.10 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.24 2jrh n HIS 89 Cb 0.60 -0.48 -0.04 0.00 -0.12 0.00 0.00 29.99 29.96 2jrh n HIS 89 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jrh n HIS 90 N -3.81 -3.33 -3.71 1.57 8.25 -1.26 -5.07 115.22 107.86 2jrh n HIS 90 Ca -0.24 1.94 -0.21 0.00 -0.26 0.00 0.00 57.72 58.95 2jrh n HIS 90 Cb 0.59 -3.29 -0.04 0.00 1.12 0.00 0.00 29.99 28.36 2jrh n HIS 90 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jrh s HIS 91 N -0.49 2.75 0.00 4.41 2.46 -1.26 -4.81 115.29 118.35 2jrh s HIS 91 Ca -0.22 -0.44 0.00 0.00 0.47 0.00 0.00 55.06 54.88 2jrh s HIS 91 Cb 0.01 -2.02 0.00 0.00 -0.13 0.00 0.00 32.58 30.45 2jrh s HIS 91 CO 0.58 0.02 0.00 0.72 -2.47 0.00 0.00 174.74 173.59 2jrh n HIS 92 N -1.45 0.00 -1.25 3.88 8.25 -1.26 -5.35 115.22 118.04 2jrh n HIS 92 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2jrh n HIS 92 Cb 0.61 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.72 2jrh n HIS 92 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56