#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jhe s ARG 2 N 0.00 0.82 0.01 2.12 0.52 -1.26 -1.64 118.95 119.52 2jhe s ARG 2 Ca 0.00 -0.16 0.05 0.00 -0.52 0.00 0.00 55.73 55.09 2jhe s ARG 2 Cb 0.00 -0.80 -0.03 0.00 0.52 0.00 0.00 34.95 34.64 2jhe s ARG 2 CO 0.00 -0.01 -0.12 -0.51 0.02 0.00 0.00 175.30 174.68 2jhe s LEU 3 N 0.61 2.88 -0.25 2.53 1.43 -0.05 -0.75 118.68 125.09 2jhe s LEU 3 Ca -0.08 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 52.70 2jhe s LEU 3 Cb -0.12 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 2jhe s LEU 3 CO 0.00 0.29 0.02 -0.70 0.23 0.00 0.00 176.35 176.19 2jhe s GLU 4 N -1.29 3.40 -0.16 1.70 2.12 0.27 -0.39 118.70 124.36 2jhe s GLU 4 Ca 0.15 -0.63 -0.06 0.00 0.36 0.00 0.00 54.97 54.79 2jhe s GLU 4 Cb -0.11 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 2jhe s GLU 4 CO 0.05 -0.25 0.03 0.08 -0.54 0.00 0.00 175.26 174.63 2jhe s VAL 5 N 1.53 4.54 -0.21 3.70 1.01 0.14 -1.60 120.40 129.50 2jhe s VAL 5 Ca 0.05 -0.13 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 2jhe s VAL 5 Cb -0.15 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2jhe s VAL 5 CO 0.00 0.49 0.10 -0.36 0.00 0.00 0.00 175.10 175.33 2jhe s PHE 6 N 0.17 3.26 -0.25 5.22 0.40 0.12 -0.99 117.98 125.92 2jhe s PHE 6 Ca 0.03 0.07 -0.26 0.00 -0.60 0.00 0.00 56.93 56.17 2jhe s PHE 6 Cb -0.13 -2.16 0.08 0.00 0.51 0.00 0.00 43.02 41.32 2jhe s PHE 6 CO 0.01 0.07 0.77 0.00 0.70 0.00 0.00 175.22 176.77 2jhe s GLU 8 N 0.20 4.29 0.29 0.00 2.12 -1.20 -4.00 118.70 120.39 2jhe s GLU 8 Ca -0.00 2.14 -0.30 0.00 0.36 0.00 0.00 54.97 57.17 2jhe s GLU 8 Cb -0.04 -3.29 -0.12 0.00 0.26 0.00 0.00 34.13 30.93 2jhe s GLU 8 CO 0.01 -0.51 1.45 -3.47 -0.54 0.00 0.00 175.26 172.20 2jhe n ASP 9 N 4.23 3.19 -3.53 -1.70 2.03 -1.26 -4.94 116.55 114.57 2jhe n ASP 9 Ca 0.12 1.16 -0.15 0.00 0.52 0.00 0.00 54.79 56.44 2jhe n ASP 9 Cb 0.41 -1.51 -0.05 0.00 -0.72 0.00 0.00 41.12 39.26 2jhe n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jhe s ARG 10 N -0.83 1.08 0.41 -0.67 1.70 -1.26 -5.06 118.95 114.31 2jhe s ARG 10 Ca 0.63 -0.07 0.13 0.00 -0.47 0.00 0.00 55.73 55.95 2jhe s ARG 10 Cb -0.57 0.50 0.88 0.00 -0.57 0.00 0.00 34.95 35.19 2jhe s ARG 10 CO 0.53 -0.38 1.93 -0.07 -1.08 0.00 0.00 175.30 176.23 2jhe h LEU 11 N 2.76 0.07 -0.55 -1.89 3.38 -2.05 -3.04 115.31 113.99 2jhe h LEU 11 Ca -0.30 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2jhe h LEU 11 Cb 1.20 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2jhe h LEU 11 CO 0.40 0.28 0.00 1.23 0.09 0.00 0.00 178.44 180.44 2jhe h GLY 12 N 0.72 0.00 0.78 0.83 0.00 -2.00 -3.32 103.07 100.08 2jhe h GLY 12 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.43 2jhe h GLY 12 CO 0.03 0.00 0.55 -2.00 0.00 0.00 0.00 176.54 175.12 2jhe h LEU 13 N 0.00 0.76 -0.63 3.11 6.46 -1.95 -2.06 115.31 121.00 2jhe h LEU 13 Ca 0.00 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.74 2jhe h LEU 13 Cb 0.70 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 2jhe h LEU 13 CO 0.00 0.45 0.26 0.74 -0.62 0.00 0.00 178.44 179.27 2jhe h THR 14 N 0.84 1.23 -0.15 1.05 2.02 -1.81 -1.66 112.91 114.44 2jhe h THR 14 Ca 0.39 -0.73 -0.17 0.00 0.77 0.00 0.00 66.41 66.68 2jhe h THR 14 Cb 0.40 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2jhe h THR 14 CO -0.16 0.29 -0.60 -0.09 0.37 0.00 0.00 175.52 175.33 2jhe h ARG 15 N 0.89 0.49 -0.36 6.66 2.43 -1.65 -2.71 114.38 120.13 2jhe h ARG 15 Ca 0.21 -0.33 -0.06 0.00 -0.81 0.00 0.00 59.98 58.99 2jhe h ARG 15 Cb 0.20 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2jhe h ARG 15 CO -0.02 0.94 -0.03 0.93 -1.51 0.00 0.00 179.97 180.29 2jhe h GLU 16 N 0.37 0.58 -0.05 0.20 5.08 -1.05 0.27 114.58 119.98 2jhe h GLU 16 Ca -0.00 -0.14 -0.23 0.00 -1.00 0.00 0.00 59.36 57.98 2jhe h GLU 16 Cb 1.15 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 30.34 2jhe h GLU 16 CO 0.11 0.62 -0.89 -0.07 -1.00 0.00 0.00 179.01 177.78 2jhe h LEU 17 N 0.55 0.86 -0.67 1.33 3.38 -1.35 -3.19 115.31 116.22 2jhe h LEU 17 Ca 0.11 -0.71 0.01 0.00 0.09 0.00 0.00 57.88 57.39 2jhe h LEU 17 Cb 0.39 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2jhe h LEU 17 CO 0.02 1.45 0.44 0.25 0.09 0.00 0.00 178.44 180.68 2jhe h LEU 18 N 0.35 0.76 -0.72 1.67 5.85 -1.08 -2.43 115.31 119.71 2jhe h LEU 18 Ca -0.10 -0.02 0.16 0.00 0.84 0.00 0.00 57.88 58.77 2jhe h LEU 18 Cb 1.54 -0.18 -0.12 0.00 0.37 0.00 0.00 40.66 42.27 2jhe h LEU 18 CO 0.18 0.54 0.07 0.44 -0.34 0.00 0.00 178.44 179.34 2jhe h ASP 19 N 0.90 -0.19 0.15 1.25 3.32 -0.56 0.22 116.42 121.50 2jhe h ASP 19 Ca 0.25 0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.44 2jhe h ASP 19 Cb -0.08 0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 2jhe h ASP 19 CO -0.06 -0.12 -0.15 -0.07 -1.72 0.00 0.00 179.24 177.12 2jhe h LEU 20 N 0.17 0.00 0.00 1.55 4.07 -1.42 -1.34 115.31 118.33 2jhe h LEU 20 Ca 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.35 2jhe h LEU 20 Cb 0.69 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.43 2jhe h LEU 20 CO -0.58 0.15 -0.04 -0.07 -1.08 0.00 0.00 178.44 176.82 2jhe h LEU 21 N 0.00 0.03 -1.07 1.67 3.38 -0.87 -3.33 115.31 115.13 2jhe h LEU 21 Ca -0.00 -0.85 0.04 0.00 0.09 0.00 0.00 57.88 57.16 2jhe h LEU 21 Cb 0.26 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 2jhe h LEU 21 CO 0.02 0.88 0.63 0.58 0.09 0.00 0.00 178.44 180.64 2jhe h VAL 22 N -0.82 1.16 0.00 1.22 2.07 -0.84 -0.67 116.25 118.37 2jhe h VAL 22 Ca -0.01 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2jhe h VAL 22 Cb 0.88 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2jhe h VAL 22 CO 0.01 0.22 0.00 0.18 0.02 0.00 0.00 177.57 178.00 2jhe n LEU 23 N -4.44 0.00 -0.25 2.57 4.77 -0.52 -0.34 117.00 118.78 2jhe n LEU 23 Ca 0.13 0.36 0.03 0.00 -0.03 0.00 0.00 56.01 56.50 2jhe n LEU 23 Cb 0.11 -0.36 0.08 0.00 -2.33 0.00 0.00 43.42 40.92 2jhe n LEU 23 CO 0.34 -0.19 0.56 0.54 -1.33 0.00 0.00 177.39 177.32 2jhe n ARG 24 N -1.36 2.76 -1.48 3.23 1.74 -0.83 -4.98 116.66 115.75 2jhe n ARG 24 Ca 0.06 -1.88 -0.11 0.00 -0.77 0.00 0.00 57.85 55.15 2jhe n ARG 24 Cb 0.13 -1.19 -0.04 0.00 -1.02 0.00 0.00 32.46 30.34 2jhe n ARG 24 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jhe n GLY 25 N -0.31 0.99 3.69 -0.13 0.00 0.54 -5.00 105.19 104.97 2jhe n GLY 25 Ca 0.07 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 2jhe n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jhe s ILE 26 N -2.43 4.94 -0.38 -0.61 1.01 -0.32 -4.99 121.20 118.41 2jhe s ILE 26 Ca 0.00 1.58 -0.26 0.00 0.00 0.00 0.00 60.65 61.97 2jhe s ILE 26 Cb 0.00 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.38 2jhe s ILE 26 CO 0.00 0.12 0.93 -1.81 0.00 0.00 0.00 174.94 174.17 2jhe s ASP 27 N 1.03 6.65 0.21 3.58 1.01 -1.26 -4.13 116.67 123.76 2jhe s ASP 27 Ca 0.39 0.50 -0.32 0.00 0.71 0.00 0.00 52.55 53.83 2jhe s ASP 27 Cb -0.17 -2.46 -0.13 0.00 1.01 0.00 0.00 42.92 41.16 2jhe s ASP 27 CO 0.16 -0.89 1.49 -0.11 0.21 0.00 0.00 175.17 176.02 2jhe n LEU 28 N 6.85 3.21 -0.11 1.23 7.94 -1.26 -2.53 117.00 132.33 2jhe n LEU 28 Ca 0.07 1.12 -0.18 0.00 -1.11 0.00 0.00 56.01 55.91 2jhe n LEU 28 Cb 0.48 -1.44 -0.09 0.00 0.53 0.00 0.00 43.42 42.90 2jhe n LEU 28 CO 0.59 -0.36 -1.22 0.54 -1.11 0.00 0.00 177.39 175.83 2jhe n ARG 29 N 2.57 0.51 -3.51 1.96 1.74 0.99 -4.94 116.66 115.99 2jhe n ARG 29 Ca 0.13 0.15 -0.12 0.00 -0.77 0.00 0.00 57.85 57.25 2jhe n ARG 29 Cb 0.31 -1.38 -0.04 0.00 -1.02 0.00 0.00 32.46 30.33 2jhe n ARG 29 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2jhe s GLY 30 N -5.82 -0.47 0.07 -0.13 0.00 -0.93 -5.00 107.32 95.03 2jhe s GLY 30 Ca -0.30 1.23 0.07 0.00 0.00 0.00 0.00 44.72 45.73 2jhe s GLY 30 CO 0.46 0.61 -0.20 -0.26 0.00 0.00 0.00 173.10 173.71 2jhe s ILE 31 N -2.32 1.59 -0.11 0.90 -5.25 -1.26 0.72 121.20 115.47 2jhe s ILE 31 Ca -0.01 -1.33 0.02 0.00 -0.99 0.00 0.00 60.65 58.34 2jhe s ILE 31 Cb -0.01 -1.42 0.01 0.00 2.95 0.00 0.00 42.46 43.99 2jhe s ILE 31 CO -0.03 0.04 -0.17 -1.61 -1.79 0.00 0.00 174.94 171.38 2jhe s GLU 32 N -1.52 2.37 -0.18 0.37 2.02 -0.40 -4.98 118.70 116.38 2jhe s GLU 32 Ca 0.06 -0.62 -0.05 0.00 0.02 0.00 0.00 54.97 54.38 2jhe s GLU 32 Cb -0.09 -1.96 -0.03 0.00 0.10 0.00 0.00 34.13 32.14 2jhe s GLU 32 CO 0.03 -0.03 -0.00 0.42 0.02 0.00 0.00 175.26 175.70 2jhe s ILE 33 N 0.88 4.10 -0.28 -1.63 1.09 -1.26 -0.43 121.20 123.66 2jhe s ILE 33 Ca -0.08 -0.27 -0.06 0.00 -1.10 0.00 0.00 60.65 59.14 2jhe s ILE 33 Cb -0.15 -2.83 0.01 0.00 -1.06 0.00 0.00 42.46 38.42 2jhe s ILE 33 CO -0.00 0.46 0.04 -0.62 -0.10 0.00 0.00 174.94 174.72 2jhe s ASP 34 N 0.61 4.90 0.66 3.58 -1.08 0.21 -4.99 116.67 120.56 2jhe s ASP 34 Ca -0.01 -0.68 0.34 0.00 -0.52 0.00 0.00 52.55 51.69 2jhe s ASP 34 Cb -0.14 -1.83 1.85 0.00 -1.46 0.00 0.00 42.92 41.35 2jhe s ASP 34 CO 0.02 -0.15 2.06 -0.65 0.52 0.00 0.00 175.17 176.96 2jhe h PRO 35 N 8.18 0.00 0.00 4.34 0.11 -1.99 0.36 132.00 142.99 2jhe h PRO 35 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2jhe h PRO 35 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2jhe h PRO 35 CO 0.60 0.00 -0.03 -0.89 -0.21 0.00 0.00 178.00 177.47 2jhe n ILE 36 N -3.02 0.17 0.00 4.15 -0.00 -1.26 -4.45 119.36 114.95 2jhe n ILE 36 Ca -0.02 -0.08 0.00 0.00 -0.00 0.00 0.00 62.75 62.65 2jhe n ILE 36 Cb 0.30 -0.49 0.00 0.00 -0.00 0.00 0.00 39.64 39.45 2jhe n ILE 36 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2jhe n GLY 37 N 1.45 1.52 3.12 7.39 0.00 0.12 -4.82 105.19 113.96 2jhe n GLY 37 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 2jhe n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jhe s ARG 38 N 0.00 2.68 -0.15 1.61 3.00 -0.76 -0.69 118.95 124.64 2jhe s ARG 38 Ca 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 55.73 54.99 2jhe s ARG 38 Cb 0.00 -2.21 -0.01 0.00 0.00 0.00 0.00 34.95 32.73 2jhe s ARG 38 CO 0.00 -0.04 -0.12 0.42 0.00 0.00 0.00 175.30 175.55 2jhe s ILE 39 N 0.91 2.99 -0.16 1.52 1.01 -0.16 0.66 121.20 127.98 2jhe s ILE 39 Ca -0.06 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 2jhe s ILE 39 Cb -0.15 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 2jhe s ILE 39 CO -0.02 0.51 -0.02 -0.31 0.00 0.00 0.00 174.94 175.09 2jhe s TYR 40 N 0.67 3.06 -0.12 3.97 1.51 0.42 0.28 117.35 127.14 2jhe s TYR 40 Ca -0.06 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 55.75 2jhe s TYR 40 Cb -0.15 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.70 2jhe s TYR 40 CO 0.02 -0.02 -0.15 -0.51 -1.11 0.00 0.00 175.55 173.78 2jhe s LEU 41 N 0.40 2.59 -0.18 -1.29 1.43 0.48 -1.27 118.68 120.84 2jhe s LEU 41 Ca -0.03 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 2jhe s LEU 41 Cb -0.14 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.52 2jhe s LEU 41 CO 0.03 0.17 -0.14 0.21 0.23 0.00 0.00 176.35 176.85 2jhe s ASN 42 N 0.31 3.67 0.13 2.29 2.47 0.22 -0.87 114.94 123.17 2jhe s ASN 42 Ca -0.12 -0.50 -0.11 0.00 0.42 0.00 0.00 52.86 52.55 2jhe s ASN 42 Cb -0.16 -1.58 0.01 0.00 -1.45 0.00 0.00 41.25 38.06 2jhe s ASN 42 CO 0.06 0.04 0.30 0.72 -3.72 0.00 0.00 177.10 174.50 2jhe s PHE 43 N 1.09 0.13 0.51 0.43 -0.12 -0.65 -0.00 117.98 119.37 2jhe s PHE 43 Ca 0.00 -0.51 -0.17 0.00 -0.05 0.00 0.00 56.93 56.20 2jhe s PHE 43 Cb -0.14 0.06 -0.08 0.00 -0.63 0.00 0.00 43.02 42.22 2jhe s PHE 43 CO -0.04 -0.68 0.99 0.00 -0.05 0.00 0.00 175.22 175.43 2jhe s ALA 44 N -3.89 3.04 0.00 1.99 0.00 -1.05 -0.42 121.76 121.44 2jhe s ALA 44 Ca 0.09 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2jhe s ALA 44 Cb 0.03 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 20.02 2jhe s ALA 44 CO -0.07 -0.23 0.00 -0.85 0.00 0.00 0.00 175.76 174.62 2jhe n GLU 45 N -1.48 0.00 -4.37 0.00 -0.00 -1.26 -4.73 120.64 108.80 2jhe n GLU 45 Ca 0.07 0.00 -0.23 0.00 -0.00 0.00 0.00 57.16 57.00 2jhe n GLU 45 Cb 0.54 0.00 -0.13 0.00 -0.00 0.00 0.00 31.44 31.85 2jhe n GLU 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2jhe s LEU 46 N 0.00 2.24 0.32 -1.84 1.02 -1.26 -4.98 118.68 114.18 2jhe s LEU 46 Ca 0.00 -0.60 -0.13 0.00 0.02 0.00 0.00 54.13 53.42 2jhe s LEU 46 Cb 0.00 -0.82 -0.11 0.00 0.02 0.00 0.00 46.19 45.28 2jhe s LEU 46 CO 0.00 0.06 -0.02 -1.84 0.02 0.00 0.00 176.35 174.57 2jhe n GLU 47 N 1.43 0.00 0.01 1.70 -0.00 -1.26 -4.51 120.64 118.01 2jhe n GLU 47 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.97 2jhe n GLU 47 Cb 0.54 -0.69 0.01 0.00 -0.00 0.00 0.00 31.44 31.30 2jhe n GLU 47 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.13 179.10 2jhe n PHE 48 N -0.89 0.01 0.00 -1.84 -1.74 -1.26 -2.78 117.46 108.97 2jhe n PHE 48 Ca 0.06 0.01 0.00 0.00 -0.56 0.00 0.00 57.45 56.96 2jhe n PHE 48 Cb 0.30 -0.10 0.00 0.00 1.52 0.00 0.00 39.48 41.20 2jhe n PHE 48 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 2jhe n GLU 49 N -1.16 0.00 -0.25 3.97 2.13 -1.26 -4.74 120.64 119.34 2jhe n GLU 49 Ca -0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 2jhe n GLU 49 Cb 0.43 0.00 0.17 0.00 0.27 0.00 0.00 31.44 32.31 2jhe n GLU 49 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 2jhe h SER 50 N 0.00 -0.11 -0.45 4.31 0.02 -1.83 -3.39 113.55 112.10 2jhe h SER 50 Ca 0.00 0.16 0.09 0.00 -0.84 0.00 0.00 61.79 61.20 2jhe h SER 50 Cb 0.00 0.24 -0.09 0.00 0.14 0.00 0.00 62.40 62.69 2jhe h SER 50 CO 0.00 -0.09 -0.20 -0.26 -1.14 0.00 0.00 176.83 175.14 2jhe h PHE 51 N 0.21 -0.51 0.08 3.45 -1.00 -1.85 0.26 116.94 117.58 2jhe h PHE 51 Ca 0.41 0.05 -0.00 0.00 2.81 0.00 0.00 57.97 61.23 2jhe h PHE 51 Cb 0.71 0.29 0.00 0.00 3.61 0.00 0.00 35.95 40.56 2jhe h PHE 51 CO -0.31 -0.29 -0.04 1.03 -1.61 0.00 0.00 178.31 177.09 2jhe h SER 52 N -0.11 -0.09 -0.71 2.17 0.87 -1.93 0.36 113.55 114.10 2jhe h SER 52 Ca 0.21 -0.42 -0.02 0.00 -1.23 0.00 0.00 61.79 60.33 2jhe h SER 52 Cb 0.44 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 2jhe h SER 52 CO -0.52 0.40 0.36 0.77 -0.53 0.00 0.00 176.83 177.31 2jhe h SER 53 N -0.62 0.92 -0.47 6.23 4.64 -1.73 -1.35 113.55 121.18 2jhe h SER 53 Ca -0.01 -0.12 0.08 0.00 -0.47 0.00 0.00 61.79 61.27 2jhe h SER 53 Cb 0.51 -0.23 -0.07 0.00 -0.31 0.00 0.00 62.40 62.29 2jhe h SER 53 CO 0.02 0.78 0.05 0.25 -0.87 0.00 0.00 176.83 177.05 2jhe h LEU 54 N 0.99 -0.10 0.29 5.97 5.85 -0.81 0.29 115.31 127.80 2jhe h LEU 54 Ca 0.25 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 2jhe h LEU 54 Cb 0.09 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2jhe h LEU 54 CO -0.03 -0.02 -0.14 0.24 -0.34 0.00 0.00 178.44 178.15 2jhe h MET 55 N 0.17 -0.38 -0.87 1.25 2.86 0.18 -1.08 114.93 117.05 2jhe h MET 55 Ca 0.23 0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.98 2jhe h MET 55 Cb 0.33 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.01 2jhe h MET 55 CO -0.35 -0.25 0.53 0.00 1.06 0.00 0.00 176.91 177.90 2jhe h ALA 56 N 0.31 1.23 -0.17 6.32 0.00 -1.13 -1.71 119.26 124.11 2jhe h ALA 56 Ca -0.04 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2jhe h ALA 56 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2jhe h ALA 56 CO 0.07 0.22 0.01 1.49 0.00 0.00 0.00 179.25 181.03 2jhe h GLU 57 N 0.92 0.29 -0.34 0.00 4.81 -0.24 -1.86 114.58 118.16 2jhe h GLU 57 Ca 0.40 -0.09 0.07 0.00 -0.13 0.00 0.00 59.36 59.62 2jhe h GLU 57 Cb 0.28 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.55 2jhe h GLU 57 CO -0.21 0.50 -0.24 0.82 -0.73 0.00 0.00 179.01 179.15 2jhe h ILE 58 N 0.05 0.37 -0.03 2.32 2.04 -1.07 -2.50 117.51 118.68 2jhe h ILE 58 Ca 0.05 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.92 2jhe h ILE 58 Cb 0.36 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2jhe h ILE 58 CO 0.01 0.00 0.03 0.03 0.00 0.00 0.00 178.15 178.21 2jhe h ARG 59 N -0.20 0.00 0.00 2.37 3.08 -1.26 -1.22 114.38 117.14 2jhe h ARG 59 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2jhe h ARG 59 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2jhe h ARG 59 CO -0.46 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 178.98 2jhe n ARG 60 N -4.49 0.07 -2.39 0.04 1.74 -0.71 -4.82 116.66 106.10 2jhe n ARG 60 Ca -0.02 0.34 -0.40 0.00 -0.77 0.00 0.00 57.85 56.99 2jhe n ARG 60 Cb 0.12 -1.64 -0.04 0.00 -1.02 0.00 0.00 32.46 29.89 2jhe n ARG 60 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2jhe s ILE 61 N -3.12 3.30 0.12 0.55 1.01 -0.46 -4.97 121.20 117.62 2jhe s ILE 61 Ca 0.05 1.31 -0.31 0.00 0.00 0.00 0.00 60.65 61.70 2jhe s ILE 61 Cb 0.09 -3.83 -0.08 0.00 0.01 0.00 0.00 42.46 38.64 2jhe s ILE 61 CO 0.29 0.31 1.45 0.00 0.00 0.00 0.00 174.94 176.99 2jhe s ALA 62 N -1.16 3.64 -0.54 9.38 0.00 -1.26 -2.97 121.76 128.85 2jhe s ALA 62 Ca 0.46 1.18 -0.01 0.00 0.00 0.00 0.00 51.96 53.58 2jhe s ALA 62 Cb -0.34 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.20 2jhe s ALA 62 CO 0.44 -0.69 0.46 0.41 0.00 0.00 0.00 175.76 176.37 2jhe n GLY 63 N 3.59 0.02 3.03 0.00 0.00 -1.26 -4.98 105.19 105.59 2jhe n GLY 63 Ca 0.12 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 2jhe n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jhe s VAL 64 N -3.17 -0.31 -0.03 1.61 1.01 -1.16 -3.24 120.40 115.12 2jhe s VAL 64 Ca 0.08 0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.36 2jhe s VAL 64 Cb -0.01 -0.44 -0.09 0.00 0.00 0.00 0.00 36.38 35.84 2jhe s VAL 64 CO 0.35 0.10 0.10 0.35 0.00 0.00 0.00 175.10 175.99 2jhe n THR 65 N 5.02 0.14 -3.61 3.92 -2.24 -0.45 -4.87 114.28 112.19 2jhe n THR 65 Ca -0.12 -0.18 -0.10 0.00 -2.27 0.00 0.00 64.05 61.38 2jhe n THR 65 Cb 0.51 -0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 2jhe n THR 65 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jhe s ASP 66 N -3.08 -0.44 -0.22 3.42 2.15 -1.22 -5.02 116.67 112.27 2jhe s ASP 66 Ca -0.03 -0.26 -0.16 0.00 0.43 0.00 0.00 52.55 52.53 2jhe s ASP 66 Cb 0.03 0.65 0.06 0.00 -0.30 0.00 0.00 42.92 43.37 2jhe s ASP 66 CO 0.25 -1.13 0.56 -0.69 -0.17 0.00 0.00 175.17 173.99 2jhe s VAL 67 N -3.82 -0.01 0.08 1.11 1.01 -1.26 0.16 120.40 117.67 2jhe s VAL 67 Ca 0.05 0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 2jhe s VAL 67 Cb -0.03 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.57 2jhe s VAL 67 CO -0.05 0.01 0.28 0.00 0.00 0.00 0.00 175.10 175.34 2jhe s ARG 68 N 0.91 0.88 0.34 2.72 1.70 -0.63 -5.00 118.95 119.87 2jhe s ARG 68 Ca -0.05 -0.74 -0.23 0.00 -0.47 0.00 0.00 55.73 54.23 2jhe s ARG 68 Cb -0.05 0.38 -0.10 0.00 -0.57 0.00 0.00 34.95 34.60 2jhe s ARG 68 CO -0.08 -0.30 0.91 0.95 -1.08 0.00 0.00 175.30 175.70 2jhe s THR 69 N -3.40 4.33 0.06 4.99 -4.23 -1.26 -0.56 115.64 115.56 2jhe s THR 69 Ca 0.01 1.62 0.04 0.00 -1.18 0.00 0.00 61.69 62.19 2jhe s THR 69 Cb 0.02 -3.86 -0.03 0.00 1.34 0.00 0.00 72.50 69.97 2jhe s THR 69 CO -0.09 0.01 -0.13 0.54 -0.54 0.00 0.00 174.62 174.41 2jhe s VAL 70 N -1.78 0.97 0.22 2.29 0.11 0.07 -4.85 120.40 117.43 2jhe s VAL 70 Ca 0.53 -1.21 0.18 0.00 -2.93 0.00 0.00 61.98 58.54 2jhe s VAL 70 Cb -0.15 -0.95 0.13 0.00 -1.53 0.00 0.00 36.38 33.88 2jhe s VAL 70 CO 0.20 -0.24 1.76 -0.65 -3.33 0.00 0.00 175.10 172.84 2jhe h PRO 71 N 4.41 0.00 -3.00 1.54 0.11 -1.98 -3.39 132.00 129.70 2jhe h PRO 71 Ca -0.39 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.56 2jhe h PRO 71 Cb 1.19 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.05 2jhe h PRO 71 CO 0.41 0.38 -0.37 -1.58 -0.21 0.00 0.00 178.00 176.62 2jhe s TRP 72 N -3.71 -0.34 0.40 0.65 0.52 -1.26 -4.95 118.94 110.26 2jhe s TRP 72 Ca -0.01 0.82 -0.26 0.00 0.02 0.00 0.00 56.10 56.67 2jhe s TRP 72 Cb 0.12 0.11 -0.09 0.00 -1.15 0.00 0.00 33.47 32.46 2jhe s TRP 72 CO 0.69 -0.17 1.31 -1.64 0.02 0.00 0.00 176.95 177.16 2jhe s MET 73 N 0.28 3.97 0.46 4.98 -1.94 -1.26 -4.84 119.30 120.96 2jhe s MET 73 Ca -0.01 2.17 0.24 0.00 -1.71 0.00 0.00 55.69 56.38 2jhe s MET 73 Cb -0.03 -2.77 1.25 0.00 2.01 0.00 0.00 34.83 35.30 2jhe s MET 73 CO -0.01 -0.49 1.84 -1.35 -0.01 0.00 0.00 175.02 175.00 2jhe h PRO 74 N 2.69 0.24 -0.05 2.03 0.11 -1.98 0.14 132.00 135.18 2jhe h PRO 74 Ca -0.50 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 2jhe h PRO 74 Cb 1.25 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2jhe h PRO 74 CO 0.63 0.16 -0.55 0.66 -0.21 0.00 0.00 178.00 178.69 2jhe h SER 75 N 0.25 0.16 0.06 -2.05 4.64 -1.99 0.09 113.55 114.70 2jhe h SER 75 Ca 0.50 -0.08 -0.26 0.00 -0.47 0.00 0.00 61.79 61.48 2jhe h SER 75 Cb 1.53 -0.05 0.02 0.00 -0.31 0.00 0.00 62.40 63.59 2jhe h SER 75 CO -0.14 0.68 -1.02 -0.33 -0.87 0.00 0.00 176.83 175.15 2jhe h GLU 76 N 0.11 0.66 0.52 4.77 5.08 -1.18 -2.71 114.58 121.82 2jhe h GLU 76 Ca -0.00 -0.70 -0.02 0.00 -1.00 0.00 0.00 59.36 57.64 2jhe h GLU 76 Cb 1.00 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2jhe h GLU 76 CO 0.08 1.29 -0.31 -0.09 -1.00 0.00 0.00 179.01 178.98 2jhe h ARG 77 N 0.37 -0.75 -0.74 2.33 1.12 -0.93 -2.17 114.38 113.61 2jhe h ARG 77 Ca -0.12 0.05 0.12 0.00 -1.11 0.00 0.00 59.98 58.92 2jhe h ARG 77 Cb 1.67 0.17 -0.09 0.00 -0.01 0.00 0.00 29.97 31.71 2jhe h ARG 77 CO 0.20 -0.50 0.32 1.49 -3.11 0.00 0.00 179.97 178.37 2jhe h GLU 78 N -0.78 0.49 -0.28 0.20 4.81 -1.06 -0.01 114.58 117.95 2jhe h GLU 78 Ca -0.06 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.21 2jhe h GLU 78 Cb 0.64 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.83 2jhe h GLU 78 CO 0.07 0.33 -0.21 1.25 -0.73 0.00 0.00 179.01 179.71 2jhe h HIS 79 N 0.51 -0.56 -0.46 0.92 2.76 -1.40 -2.18 115.15 114.74 2jhe h HIS 79 Ca 0.39 0.04 -0.13 0.00 -2.20 0.00 0.00 60.37 58.46 2jhe h HIS 79 Cb 0.52 0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 2jhe h HIS 79 CO -0.14 -0.29 -0.24 -0.07 -1.30 0.00 0.00 177.93 175.89 2jhe h LEU 80 N -0.20 1.00 0.47 0.26 4.07 -0.60 -3.05 115.31 117.26 2jhe h LEU 80 Ca 0.15 -0.39 -0.01 0.00 0.08 0.00 0.00 57.88 57.71 2jhe h LEU 80 Cb 0.43 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 2jhe h LEU 80 CO -0.40 1.18 -0.34 0.00 -1.08 0.00 0.00 178.44 177.80 2jhe h ALA 81 N 0.89 -0.82 -0.07 1.53 0.00 -0.84 -2.01 119.26 117.93 2jhe h ALA 81 Ca 0.10 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2jhe h ALA 81 Cb 0.82 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2jhe h ALA 81 CO 0.07 -0.98 -0.10 -0.07 0.00 0.00 0.00 179.25 178.17 2jhe h LEU 82 N -0.80 -0.34 -1.65 0.00 4.07 -1.48 0.43 115.31 115.55 2jhe h LEU 82 Ca -0.05 0.04 0.14 0.00 0.08 0.00 0.00 57.88 58.10 2jhe h LEU 82 Cb 0.68 0.14 -0.04 0.00 1.08 0.00 0.00 40.66 42.51 2jhe h LEU 82 CO 0.01 -0.07 0.47 0.77 -1.08 0.00 0.00 178.44 178.54 2jhe h SER 83 N -0.07 0.33 -0.29 -0.43 4.64 -1.64 -0.44 113.55 115.64 2jhe h SER 83 Ca 0.01 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 2jhe h SER 83 Cb 0.11 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 2jhe h SER 83 CO -0.11 0.18 -0.03 0.00 -0.87 0.00 0.00 176.83 176.00 2jhe h ALA 84 N 1.67 0.40 -0.09 5.18 0.00 -0.96 -1.43 119.26 124.02 2jhe h ALA 84 Ca 0.34 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2jhe h ALA 84 Cb 0.82 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2jhe h ALA 84 CO -0.09 0.18 0.05 1.25 0.00 0.00 0.00 179.25 180.63 2jhe h LEU 85 N 0.31 0.12 -0.61 0.00 6.46 -0.07 -1.84 115.31 119.67 2jhe h LEU 85 Ca 0.08 -0.09 -0.06 0.00 -0.12 0.00 0.00 57.88 57.69 2jhe h LEU 85 Cb 0.49 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 2jhe h LEU 85 CO 0.02 0.17 0.15 -0.07 -0.62 0.00 0.00 178.44 178.09 2jhe h LEU 86 N 0.05 0.93 0.00 2.25 3.38 -1.15 -2.19 115.31 118.58 2jhe h LEU 86 Ca 0.03 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2jhe h LEU 86 Cb 0.08 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2jhe h LEU 86 CO -0.00 0.92 0.00 -1.84 0.09 0.00 0.00 178.44 177.61 2jhe n GLU 87 N -4.34 0.33 -0.05 1.13 0.28 -0.54 -3.11 120.64 114.35 2jhe n GLU 87 Ca 0.03 0.08 -0.05 0.00 -0.16 0.00 0.00 57.16 57.07 2jhe n GLU 87 Cb 0.24 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 31.47 2jhe n GLU 87 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jhe n ALA 88 N -1.25 1.78 -1.58 -1.84 0.00 -0.71 -4.35 120.51 112.58 2jhe n ALA 88 Ca 0.10 -0.99 -0.58 0.00 0.00 0.00 0.00 53.44 51.97 2jhe n ALA 88 Cb 0.15 -0.50 -0.09 0.00 0.00 0.00 0.00 19.45 19.01 2jhe n ALA 88 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jhe n LEU 89 N -2.74 1.84 0.16 0.00 4.77 -1.10 -4.80 117.00 115.13 2jhe n LEU 89 Ca -0.22 0.88 0.12 0.00 -0.03 0.00 0.00 56.01 56.76 2jhe n LEU 89 Cb 1.00 -1.08 0.58 0.00 -2.33 0.00 0.00 43.42 41.59 2jhe n LEU 89 CO 0.44 -0.62 0.86 1.55 -1.33 0.00 0.00 177.39 178.29 2jhe h PRO 90 N 8.28 0.00 -6.13 3.23 0.13 -1.92 -3.44 132.00 132.16 2jhe h PRO 90 Ca -0.35 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.19 2jhe h PRO 90 Cb 1.35 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.34 2jhe h PRO 90 CO 1.00 0.00 -0.76 -1.21 -0.23 0.00 0.00 178.00 176.81 2jhe s GLU 91 N -3.48 1.64 0.12 0.86 2.02 -1.26 -4.84 118.70 113.76 2jhe s GLU 91 Ca 0.01 -1.75 -0.32 0.00 0.02 0.00 0.00 54.97 52.92 2jhe s GLU 91 Cb 0.08 -1.69 -0.12 0.00 0.10 0.00 0.00 34.13 32.50 2jhe s GLU 91 CO 0.31 0.31 1.78 -2.30 0.02 0.00 0.00 175.26 175.38 2jhe n PRO 92 N -0.59 2.60 -3.76 0.39 -0.02 -1.25 -4.76 135.00 127.59 2jhe n PRO 92 Ca -0.05 0.94 -0.28 0.00 -2.02 0.00 0.00 63.50 62.09 2jhe n PRO 92 Cb 0.60 -2.80 -0.16 0.00 -0.02 0.00 0.00 33.50 31.12 2jhe n PRO 92 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jhe s VAL 93 N 2.36 0.68 0.36 -1.45 1.01 -1.26 -1.78 120.40 120.32 2jhe s VAL 93 Ca 0.82 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 62.18 2jhe s VAL 93 Cb -0.55 -1.16 -0.07 0.00 0.00 0.00 0.00 36.38 34.60 2jhe s VAL 93 CO 0.38 -0.22 -0.00 -1.48 0.00 0.00 0.00 175.10 173.79 2jhe s LEU 94 N 1.79 2.64 0.20 3.92 0.05 -0.49 -1.09 118.68 125.69 2jhe s LEU 94 Ca -0.01 -1.32 0.09 0.00 0.05 0.00 0.00 54.13 52.94 2jhe s LEU 94 Cb -0.17 -0.76 -0.04 0.00 -2.05 0.00 0.00 46.19 43.16 2jhe s LEU 94 CO -0.08 -0.44 -0.19 -0.94 -0.55 0.00 0.00 176.35 174.15 2jhe s SER 95 N -3.61 2.95 0.01 1.48 1.04 0.32 -0.42 113.70 115.47 2jhe s SER 95 Ca 0.34 -0.93 -0.01 0.00 0.48 0.00 0.00 55.95 55.83 2jhe s SER 95 Cb 0.08 -0.20 -0.01 0.00 0.10 0.00 0.00 66.02 65.99 2jhe s SER 95 CO 0.16 -0.03 0.00 0.68 0.98 0.00 0.00 173.24 175.04 2jhe s VAL 96 N -2.29 0.06 0.00 5.02 -7.23 -0.70 -0.42 120.40 114.84 2jhe s VAL 96 Ca 0.21 -0.54 0.00 0.00 -1.81 0.00 0.00 61.98 59.84 2jhe s VAL 96 Cb -0.05 -0.19 0.00 0.00 0.56 0.00 0.00 36.38 36.70 2jhe s VAL 96 CO 0.09 -0.29 0.00 -0.90 -0.31 0.00 0.00 175.10 173.68 2jhe n ASP 97 N 2.16 0.00 -0.02 4.85 5.68 -0.22 -1.43 116.55 127.57 2jhe n ASP 97 Ca -0.19 -0.34 0.13 0.00 -0.50 0.00 0.00 54.79 53.89 2jhe n ASP 97 Cb 0.57 0.00 0.48 0.00 -1.14 0.00 0.00 41.12 41.03 2jhe n ASP 97 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 2jhe n MET 98 N -0.34 0.14 -1.03 0.11 2.81 -1.26 -1.40 117.12 116.15 2jhe n MET 98 Ca 0.00 -0.05 -0.08 0.00 -1.81 0.00 0.00 57.70 55.77 2jhe n MET 98 Cb 0.00 -1.50 0.29 0.00 -0.71 0.00 0.00 33.22 31.30 2jhe n MET 98 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2jhe n LYS 99 N -1.39 3.49 -0.85 0.03 4.01 -1.26 -4.95 118.16 117.24 2jhe n LYS 99 Ca 0.08 -3.09 0.00 0.00 -0.51 0.00 0.00 58.31 54.79 2jhe n LYS 99 Cb 0.33 -2.19 0.00 0.00 -0.51 0.00 0.00 35.03 32.65 2jhe n LYS 99 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 2jhe n SER 100 N -0.31 -2.51 -4.72 4.39 3.41 -0.49 -4.87 113.62 108.51 2jhe n SER 100 Ca 0.43 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.62 2jhe n SER 100 Cb 1.40 -1.98 -0.03 0.00 -0.26 0.00 0.00 64.21 63.35 2jhe n SER 100 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2jhe s LYS 101 N -0.94 4.40 0.16 4.33 3.01 -1.26 -1.92 119.74 127.52 2jhe s LYS 101 Ca 0.00 1.96 -0.33 0.00 -1.01 0.00 0.00 55.97 56.59 2jhe s LYS 101 Cb 0.00 -3.26 -0.13 0.00 -1.01 0.00 0.00 37.83 33.44 2jhe s LYS 101 CO 0.00 -0.28 1.68 0.28 0.51 0.00 0.00 175.35 177.54 2jhe n VAL 102 N 3.33 0.07 -0.02 3.17 0.31 -0.37 -1.05 118.33 123.77 2jhe n VAL 102 Ca 0.08 -0.01 -0.05 0.00 -0.01 0.00 0.00 64.34 64.35 2jhe n VAL 102 Cb 0.44 -1.79 -0.02 0.00 -0.91 0.00 0.00 33.84 31.56 2jhe n VAL 102 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2jhe n ASP 103 N 4.04 1.51 -4.60 4.52 2.03 0.44 -4.51 116.55 119.97 2jhe n ASP 103 Ca 0.17 0.23 -0.30 0.00 0.52 0.00 0.00 54.79 55.41 2jhe n ASP 103 Cb 0.32 -0.54 -0.10 0.00 -0.72 0.00 0.00 41.12 40.09 2jhe n ASP 103 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 2jhe s MET 104 N -2.45 2.31 -0.18 -0.67 1.75 -1.20 -4.93 119.30 113.92 2jhe s MET 104 Ca -0.15 -0.92 -0.08 0.00 -1.25 0.00 0.00 55.69 53.30 2jhe s MET 104 Cb 0.02 -2.39 0.08 0.00 2.84 0.00 0.00 34.83 35.37 2jhe s MET 104 CO 0.22 0.54 0.41 0.00 -0.65 0.00 0.00 175.02 175.53 2jhe s ALA 105 N -1.17 -1.09 0.90 4.11 0.00 -1.26 0.12 121.76 123.37 2jhe s ALA 105 Ca 0.21 1.49 -0.12 0.00 0.00 0.00 0.00 51.96 53.54 2jhe s ALA 105 Cb -0.11 -1.16 0.13 0.00 0.00 0.00 0.00 23.12 21.98 2jhe s ALA 105 CO 0.13 -0.56 1.14 0.54 0.00 0.00 0.00 175.76 177.01 2jhe s ASN 106 N 2.14 3.60 0.58 0.00 4.22 -0.25 -4.86 114.94 120.36 2jhe s ASN 106 Ca -0.05 0.97 0.28 0.00 -2.14 0.00 0.00 52.86 51.93 2jhe s ASN 106 Cb -0.11 -1.55 1.62 0.00 1.28 0.00 0.00 41.25 42.49 2jhe s ASN 106 CO -0.13 -2.50 2.08 -0.65 -2.04 0.00 0.00 177.10 173.87 2jhe h PRO 107 N -1.46 0.00 -0.15 3.55 0.11 -1.90 -1.95 132.00 130.20 2jhe h PRO 107 Ca -0.50 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.39 2jhe h PRO 107 Cb 1.33 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.45 2jhe h PRO 107 CO 0.62 0.00 -0.75 0.00 -0.21 0.00 0.00 178.00 177.66 2jhe h ALA 108 N 1.75 0.38 -0.65 -0.75 0.00 -1.87 -1.11 119.26 117.01 2jhe h ALA 108 Ca 0.10 -0.59 0.11 0.00 0.00 0.00 0.00 54.91 54.53 2jhe h ALA 108 Cb 0.55 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 2jhe h ALA 108 CO -0.00 0.70 0.21 0.77 0.00 0.00 0.00 179.25 180.93 2jhe h SER 109 N 0.51 0.16 -0.34 0.00 0.02 -1.66 -1.18 113.55 111.05 2jhe h SER 109 Ca -0.04 0.10 -0.16 0.00 -0.84 0.00 0.00 61.79 60.85 2jhe h SER 109 Cb 1.37 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 64.00 2jhe h SER 109 CO 0.15 0.08 -0.39 0.00 -1.14 0.00 0.00 176.83 175.53 2jhe h GLN 111 N 0.73 0.03 -0.60 0.00 5.75 -1.04 0.10 115.11 120.08 2jhe h GLN 111 Ca 0.06 -0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.48 2jhe h GLN 111 Cb 0.98 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.50 2jhe h GLN 111 CO 0.09 0.02 0.06 1.25 -2.65 0.00 0.00 178.83 177.61 2jhe h LEU 112 N 0.03 0.96 0.00 -2.39 5.85 -0.96 -3.12 115.31 115.69 2jhe h LEU 112 Ca 0.12 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2jhe h LEU 112 Cb 0.17 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2jhe h LEU 112 CO -0.23 0.98 -1.26 0.49 -0.34 0.00 0.00 178.44 178.08 2jhe n PHE 113 N -4.21 0.42 -2.52 1.25 3.72 -0.62 -5.00 117.46 110.51 2jhe n PHE 113 Ca 0.04 0.12 -0.07 0.00 -0.05 0.00 0.00 57.45 57.49 2jhe n PHE 113 Cb 0.30 -0.62 0.04 0.00 -0.94 0.00 0.00 39.48 38.26 2jhe n PHE 113 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jhe n GLY 114 N 1.28 0.09 3.46 1.37 0.00 0.32 -5.07 105.19 106.64 2jhe n GLY 114 Ca -0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 2jhe n GLY 114 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jhe s GLN 115 N -4.36 1.19 0.75 1.61 -2.07 -1.00 -5.06 119.66 110.72 2jhe s GLN 115 Ca 0.04 -0.19 -0.08 0.00 -1.82 0.00 0.00 55.36 53.32 2jhe s GLN 115 Cb -0.01 0.55 0.09 0.00 -1.09 0.00 0.00 33.01 32.56 2jhe s GLN 115 CO 0.31 -0.47 1.07 0.15 -1.32 0.00 0.00 175.29 175.03 2jhe s LYS 116 N -2.76 1.88 0.47 9.60 1.02 -1.26 -4.53 119.74 124.17 2jhe s LYS 116 Ca -0.03 -0.37 0.15 0.00 0.02 0.00 0.00 55.97 55.73 2jhe s LYS 116 Cb -0.01 -2.13 1.10 0.00 -0.52 0.00 0.00 37.83 36.27 2jhe s LYS 116 CO -0.04 -1.46 2.05 1.25 -0.92 0.00 0.00 175.35 176.23 2jhe h LEU 117 N -0.77 0.00 -0.11 3.17 5.85 -1.97 -1.88 115.31 119.60 2jhe h LEU 117 Ca -0.43 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 2jhe h LEU 117 Cb 1.30 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 2jhe h LEU 117 CO 0.55 0.12 0.01 0.44 -0.34 0.00 0.00 178.44 179.22 2jhe h ASP 118 N 0.01 0.18 -0.38 1.25 3.45 -2.00 -1.55 116.42 117.39 2jhe h ASP 118 Ca 0.00 -0.28 -0.08 0.00 0.43 0.00 0.00 57.03 57.10 2jhe h ASP 118 Cb 0.20 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 38.91 2jhe h ASP 118 CO 0.01 0.41 -0.04 0.08 -1.57 0.00 0.00 179.24 178.14 2jhe h ARG 119 N -0.06 0.79 -0.57 3.56 -0.00 -1.90 -3.26 114.38 112.94 2jhe h ARG 119 Ca 0.03 -0.23 -0.10 0.00 -0.00 0.00 0.00 59.98 59.69 2jhe h ARG 119 Cb 0.31 -0.08 -0.02 0.00 -0.00 0.00 0.00 29.97 30.18 2jhe h ARG 119 CO 0.00 0.82 -0.03 -0.07 -0.00 0.00 0.00 179.97 180.70 2jhe h LEU 120 N 0.73 1.00 0.00 0.08 4.07 -1.29 -3.27 115.31 116.62 2jhe h LEU 120 Ca 0.13 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.81 2jhe h LEU 120 Cb 0.50 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.98 2jhe h LEU 120 CO 0.03 1.06 0.00 0.54 -1.08 0.00 0.00 178.44 178.99 2jhe n ARG 121 N -4.17 0.17 0.20 1.13 1.74 -0.59 -2.50 116.66 112.63 2jhe n ARG 121 Ca 0.03 0.09 0.08 0.00 -0.77 0.00 0.00 57.85 57.28 2jhe n ARG 121 Cb 0.36 -1.50 0.27 0.00 -1.02 0.00 0.00 32.46 30.57 2jhe n ARG 121 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2jhe h ASN 122 N 0.00 0.00 -3.38 0.55 2.35 -1.69 -3.38 115.58 110.03 2jhe h ASN 122 Ca 0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 2jhe h ASN 122 Cb 0.30 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 2jhe h ASN 122 CO 0.00 0.27 -0.05 -1.00 -1.65 0.00 0.00 177.43 175.00 2jhe s HIS 123 N -3.34 3.60 0.70 1.19 3.76 -1.04 -4.91 115.29 115.25 2jhe s HIS 123 Ca 0.03 1.11 -0.11 0.00 -0.15 0.00 0.00 55.06 55.94 2jhe s HIS 123 Cb 0.08 -2.41 0.01 0.00 1.11 0.00 0.00 32.58 31.37 2jhe s HIS 123 CO 0.67 0.40 1.09 0.95 -0.85 0.00 0.00 174.74 177.00 2jhe s THR 124 N -1.50 3.61 0.18 1.30 -4.23 -1.26 -1.24 115.64 112.50 2jhe s THR 124 Ca 0.39 0.52 0.12 0.00 -1.18 0.00 0.00 61.69 61.55 2jhe s THR 124 Cb -0.15 -3.51 -0.01 0.00 1.34 0.00 0.00 72.50 70.17 2jhe s THR 124 CO 0.19 -0.68 1.57 0.00 -0.54 0.00 0.00 174.62 175.16 2jhe h ALA 125 N -0.62 0.84 0.00 3.99 0.00 -1.72 -3.03 119.26 118.72 2jhe h ALA 125 Ca -0.45 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 53.85 2jhe h ALA 125 Cb 1.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2jhe h ALA 125 CO 0.64 0.77 -0.24 0.00 0.00 0.00 0.00 179.25 180.41 2jhe h ALA 126 N 1.39 1.04 0.00 0.00 0.00 -1.88 0.46 119.26 120.27 2jhe h ALA 126 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2jhe h ALA 126 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2jhe h ALA 126 CO 0.08 0.30 -0.08 1.96 0.00 0.00 0.00 179.25 181.51 2jhe h GLN 127 N 0.00 0.00 0.00 0.00 4.20 -1.93 -3.35 115.11 114.03 2jhe h GLN 127 Ca -0.00 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 2jhe h GLN 127 Cb 0.73 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.46 2jhe h GLN 127 CO 0.03 0.00 -2.13 1.28 -0.67 0.00 0.00 178.83 177.34 2jhe n LEU 128 N -2.66 1.83 -3.90 1.46 4.77 -0.89 -4.95 117.00 112.66 2jhe n LEU 128 Ca 0.04 -0.07 -0.29 0.00 -0.03 0.00 0.00 56.01 55.66 2jhe n LEU 128 Cb 0.48 -0.29 -0.16 0.00 -2.33 0.00 0.00 43.42 41.13 2jhe n LEU 128 CO 0.33 0.67 -0.42 -0.63 -1.33 0.00 0.00 177.39 176.01 2jhe s ILE 129 N -2.40 1.27 0.57 -0.08 1.01 0.16 -4.97 121.20 116.77 2jhe s ILE 129 Ca -0.20 -0.96 -0.14 0.00 0.00 0.00 0.00 60.65 59.35 2jhe s ILE 129 Cb 0.06 -1.55 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 2jhe s ILE 129 CO 0.54 -0.04 1.02 0.20 0.00 0.00 0.00 174.94 176.65 2jhe s ASN 130 N 1.53 6.25 0.00 3.58 0.01 -1.26 -4.32 114.94 120.73 2jhe s ASN 130 Ca -0.03 1.58 0.00 0.00 -0.71 0.00 0.00 52.86 53.70 2jhe s ASN 130 Cb -0.18 -2.50 0.00 0.00 0.41 0.00 0.00 41.25 38.98 2jhe s ASN 130 CO -0.07 -0.85 0.00 0.61 -1.51 0.00 0.00 177.10 175.28 2jhe n GLY 131 N -1.81 0.73 3.45 0.66 0.00 -1.26 -4.44 105.19 102.53 2jhe n GLY 131 Ca 0.07 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.33 2jhe n GLY 131 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jhe s PHE 132 N -2.00 -0.87 -1.04 1.61 5.36 -1.26 -4.94 117.98 114.84 2jhe s PHE 132 Ca 0.00 1.74 -0.21 0.00 -0.96 0.00 0.00 56.93 57.51 2jhe s PHE 132 Cb 0.00 0.47 0.08 0.00 -0.34 0.00 0.00 43.02 43.23 2jhe s PHE 132 CO 0.00 -0.46 1.39 1.21 -1.46 0.00 0.00 175.22 175.90 2jhe s ASN 133 N 1.70 6.61 0.15 6.13 3.84 -1.26 -4.82 114.94 127.29 2jhe s ASN 133 Ca -0.09 -1.83 -0.17 0.00 0.21 0.00 0.00 52.86 50.99 2jhe s ASN 133 Cb -0.07 -2.51 0.02 0.00 -0.55 0.00 0.00 41.25 38.13 2jhe s ASN 133 CO -0.16 -1.30 1.79 -0.26 -2.79 0.00 0.00 177.10 174.38 2jhe h PHE 134 N 9.11 0.38 -0.27 0.43 0.04 -1.97 -2.38 116.94 122.28 2jhe h PHE 134 Ca 0.22 0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.88 2jhe h PHE 134 Cb 0.99 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 39.01 2jhe h PHE 134 CO 1.25 0.22 -0.35 -0.07 -0.60 0.00 0.00 178.31 178.76 2jhe h LEU 135 N 0.41 0.62 -0.36 1.54 3.38 -1.96 -0.03 115.31 118.91 2jhe h LEU 135 Ca 0.14 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2jhe h LEU 135 Cb 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2jhe h LEU 135 CO -0.07 0.92 0.02 -0.09 0.09 0.00 0.00 178.44 179.31 2jhe h ARG 136 N 0.50 0.62 -0.27 1.13 2.43 -1.93 -2.79 114.38 114.07 2jhe h ARG 136 Ca 0.05 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2jhe h ARG 136 Cb 0.84 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 2jhe h ARG 136 CO 0.07 0.72 0.17 2.35 -1.51 0.00 0.00 179.97 181.77 2jhe h TRP 137 N 0.45 0.34 -0.73 2.20 7.01 -1.02 -2.24 115.95 121.97 2jhe h TRP 137 Ca 0.11 0.00 0.12 0.00 2.11 0.00 0.00 58.89 61.23 2jhe h TRP 137 Cb 0.42 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 27.32 2jhe h TRP 137 CO 0.03 0.23 0.48 -0.07 -2.79 0.00 0.00 178.44 176.33 2jhe h LEU 138 N 0.35 0.46 -3.68 0.65 4.07 -1.00 0.19 115.31 116.34 2jhe h LEU 138 Ca 0.10 0.02 -0.44 0.00 0.08 0.00 0.00 57.88 57.63 2jhe h LEU 138 Cb -0.02 -0.08 -0.26 0.00 1.08 0.00 0.00 40.66 41.38 2jhe h LEU 138 CO -0.02 0.26 -0.00 -1.84 -1.08 0.00 0.00 178.44 175.76 2jhe n GLU 139 N -4.49 2.60 0.00 1.13 0.28 -1.06 -3.90 120.64 115.21 2jhe n GLU 139 Ca 0.13 -3.49 0.13 0.00 -0.16 0.00 0.00 57.16 53.77 2jhe n GLU 139 Cb 0.44 -2.10 0.39 0.00 1.43 0.00 0.00 31.44 31.59 2jhe n GLU 139 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2jhe n SER 140 N -0.96 0.87 -3.59 -1.84 2.88 0.06 -4.97 113.62 106.07 2jhe n SER 140 Ca 0.46 -0.74 -0.21 0.00 -1.33 0.00 0.00 58.87 57.05 2jhe n SER 140 Cb 0.97 0.12 0.01 0.00 -0.75 0.00 0.00 64.21 64.57 2jhe n SER 140 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2jhe n GLU 141 N -0.82 -1.34 -2.41 -1.46 0.00 -1.25 -4.91 120.64 108.45 2jhe n GLU 141 Ca 0.11 0.86 -0.41 0.00 0.00 0.00 0.00 57.16 57.72 2jhe n GLU 141 Cb 0.34 -3.58 -0.03 0.00 0.00 0.00 0.00 31.44 28.16 2jhe n GLU 141 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2jhe s PRO 142 N -4.77 4.48 -0.07 3.44 0.04 -1.26 -4.93 135.00 131.93 2jhe s PRO 142 Ca 0.12 1.82 -0.01 0.00 0.04 0.00 0.00 61.00 62.96 2jhe s PRO 142 Cb -0.05 -3.29 -0.26 0.00 0.04 0.00 0.00 34.50 30.94 2jhe s PRO 142 CO 0.86 -0.14 0.58 1.96 0.04 0.00 0.00 177.00 180.30 2jhe h GLN 143 N 5.87 0.21 -6.02 4.56 1.08 -1.97 -3.44 115.11 115.40 2jhe h GLN 143 Ca -0.43 -0.35 -0.60 0.00 -1.45 0.00 0.00 58.65 55.81 2jhe h GLN 143 Cb 1.21 0.13 -0.13 0.00 -0.05 0.00 0.00 27.48 28.65 2jhe h GLN 143 CO 0.77 1.02 -0.67 -0.51 -0.95 0.00 0.00 178.83 178.49 2jhe s ASP 144 N -6.81 3.89 0.68 1.46 1.01 -1.26 -4.80 116.67 110.84 2jhe s ASP 144 Ca -0.14 -1.08 -0.16 0.00 0.71 0.00 0.00 52.55 51.87 2jhe s ASP 144 Cb 0.07 -0.42 0.01 0.00 1.01 0.00 0.00 42.92 43.59 2jhe s ASP 144 CO 0.81 -0.17 1.22 -0.44 0.21 0.00 0.00 175.17 176.80 2jhe s SER 145 N -3.63 4.54 -0.04 0.27 0.01 -1.26 -4.61 113.70 108.97 2jhe s SER 145 Ca 0.33 2.41 0.03 0.00 1.31 0.00 0.00 55.95 60.02 2jhe s SER 145 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2jhe s SER 145 CO 0.17 -2.04 -0.11 -2.28 0.41 0.00 0.00 173.24 169.40 2jhe s HIS 146 N -1.78 1.17 -0.16 2.43 2.46 -0.10 -4.96 115.29 114.36 2jhe s HIS 146 Ca 0.76 -0.33 -0.02 0.00 0.47 0.00 0.00 55.06 55.94 2jhe s HIS 146 Cb -0.31 -0.84 -0.02 0.00 -0.13 0.00 0.00 32.58 31.29 2jhe s HIS 146 CO 0.41 -0.15 -0.08 -0.80 -2.47 0.00 0.00 174.74 171.65 2jhe s ASN 147 N 0.28 4.30 -0.05 9.88 0.01 -1.26 -0.34 114.94 127.77 2jhe s ASN 147 Ca -0.06 -0.28 -0.04 0.00 -0.71 0.00 0.00 52.86 51.77 2jhe s ASN 147 Cb -0.11 -1.69 0.01 0.00 0.41 0.00 0.00 41.25 39.88 2jhe s ASN 147 CO 0.01 0.13 0.13 -0.70 -1.51 0.00 0.00 177.10 175.16 2jhe s GLU 148 N 0.59 0.15 -0.03 -0.60 2.56 -0.20 -4.99 118.70 116.18 2jhe s GLU 148 Ca -0.05 0.18 -0.23 0.00 0.00 0.00 0.00 54.97 54.87 2jhe s GLU 148 Cb -0.15 0.07 -0.04 0.00 2.00 0.00 0.00 34.13 36.00 2jhe s GLU 148 CO 0.03 -0.02 0.69 -1.01 -0.56 0.00 0.00 175.26 174.39 2jhe s HIS 149 N 0.09 3.64 0.05 5.30 3.76 -1.26 -0.37 115.29 126.50 2jhe s HIS 149 Ca -0.00 1.29 0.02 0.00 -0.15 0.00 0.00 55.06 56.22 2jhe s HIS 149 Cb -0.01 -2.76 -0.03 0.00 1.11 0.00 0.00 32.58 30.89 2jhe s HIS 149 CO 0.00 0.19 -0.07 0.14 -0.85 0.00 0.00 174.74 174.15 2jhe s VAL 150 N 0.38 0.52 -0.21 -0.90 -7.23 0.57 -4.95 120.40 108.57 2jhe s VAL 150 Ca 0.36 -1.31 -0.03 0.00 -1.81 0.00 0.00 61.98 59.20 2jhe s VAL 150 Cb -0.18 -0.88 -0.00 0.00 0.56 0.00 0.00 36.38 35.87 2jhe s VAL 150 CO 0.19 -0.54 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.67 2jhe s VAL 151 N -2.05 3.11 -0.46 1.32 1.01 -1.26 -0.92 120.40 121.15 2jhe s VAL 151 Ca -0.04 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.37 2jhe s VAL 151 Cb -0.05 -2.40 0.12 0.00 0.00 0.00 0.00 36.38 34.05 2jhe s VAL 151 CO -0.01 0.45 0.21 -0.63 0.00 0.00 0.00 175.10 175.12 2jhe s ILE 152 N 1.42 2.76 -0.14 2.22 1.01 -0.36 -4.34 121.20 123.77 2jhe s ILE 152 Ca 0.05 -2.79 -0.12 0.00 0.00 0.00 0.00 60.65 57.79 2jhe s ILE 152 Cb -0.14 -2.92 0.02 0.00 0.01 0.00 0.00 42.46 39.42 2jhe s ILE 152 CO -0.05 -0.73 0.21 -0.46 0.00 0.00 0.00 174.94 173.90 2jhe n ASN 153 N 3.73 -3.22 0.00 3.58 0.23 -1.26 -3.13 115.26 115.19 2jhe n ASN 153 Ca 0.04 0.04 0.00 0.00 -0.53 0.00 0.00 54.58 54.13 2jhe n ASN 153 Cb 0.37 -0.86 0.00 0.00 -2.08 0.00 0.00 39.78 37.21 2jhe n ASN 153 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jhe n GLY 154 N 0.34 0.69 3.21 4.83 0.00 -1.26 -4.99 105.19 108.01 2jhe n GLY 154 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 2jhe n GLY 154 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jhe s GLN 155 N -0.31 1.76 -0.16 1.61 -2.07 -1.18 -5.13 119.66 114.18 2jhe s GLN 155 Ca 0.00 -0.73 -0.09 0.00 -1.82 0.00 0.00 55.36 52.72 2jhe s GLN 155 Cb 0.00 -1.65 -0.05 0.00 -1.09 0.00 0.00 33.01 30.22 2jhe s GLN 155 CO 0.00 0.40 0.15 -0.80 -1.32 0.00 0.00 175.29 173.72 2jhe s ASN 156 N -0.37 6.30 -0.03 12.60 0.01 -1.26 -1.22 114.94 130.97 2jhe s ASN 156 Ca 0.05 0.35 0.03 0.00 -0.71 0.00 0.00 52.86 52.57 2jhe s ASN 156 Cb -0.09 -2.09 0.00 0.00 0.41 0.00 0.00 41.25 39.48 2jhe s ASN 156 CO 0.00 0.26 -0.09 -0.36 -1.51 0.00 0.00 177.10 175.40 2jhe s PHE 157 N -0.16 1.00 -0.36 2.20 0.08 -0.09 -2.37 117.98 118.27 2jhe s PHE 157 Ca 0.11 -0.26 -0.29 0.00 0.12 0.00 0.00 56.93 56.62 2jhe s PHE 157 Cb -0.12 -0.72 0.02 0.00 -0.57 0.00 0.00 43.02 41.64 2jhe s PHE 157 CO 0.01 -0.11 1.08 -1.17 -0.10 0.00 0.00 175.22 174.92 2jhe s LEU 158 N 0.23 3.86 -0.09 -0.37 2.96 -0.40 -0.32 118.68 124.56 2jhe s LEU 158 Ca -0.04 0.86 -0.13 0.00 -0.22 0.00 0.00 54.13 54.60 2jhe s LEU 158 Cb -0.09 -3.52 -0.05 0.00 0.50 0.00 0.00 46.19 43.03 2jhe s LEU 158 CO 0.01 -0.97 0.32 -0.32 -1.32 0.00 0.00 176.35 174.06 2jhe s MET 159 N 3.84 3.96 -0.12 1.98 -2.45 0.50 -0.97 119.30 126.04 2jhe s MET 159 Ca 0.45 0.20 0.02 0.00 -1.25 0.00 0.00 55.69 55.11 2jhe s MET 159 Cb -0.11 -3.30 0.01 0.00 1.25 0.00 0.00 34.83 32.69 2jhe s MET 159 CO 0.20 0.53 -0.18 -2.00 1.05 0.00 0.00 175.02 174.62 2jhe s GLU 160 N -0.45 2.50 -0.09 4.11 2.12 0.08 -1.04 118.70 125.94 2jhe s GLU 160 Ca 0.20 -0.67 0.03 0.00 0.36 0.00 0.00 54.97 54.89 2jhe s GLU 160 Cb -0.14 -2.07 0.01 0.00 0.26 0.00 0.00 34.13 32.19 2jhe s GLU 160 CO 0.08 -0.03 -0.17 -1.50 -0.54 0.00 0.00 175.26 173.10 2jhe s ILE 161 N 0.89 1.52 0.01 -3.70 2.07 0.54 -0.59 121.20 121.94 2jhe s ILE 161 Ca -0.08 -0.69 0.03 0.00 -1.41 0.00 0.00 60.65 58.51 2jhe s ILE 161 Cb -0.15 -1.36 -0.01 0.00 0.13 0.00 0.00 42.46 41.07 2jhe s ILE 161 CO -0.01 0.44 -0.11 0.28 -1.91 0.00 0.00 174.94 173.63 2jhe s THR 162 N 0.65 0.86 0.20 4.00 -1.32 -0.01 -0.93 115.64 119.09 2jhe s THR 162 Ca -0.14 -0.60 -0.32 0.00 -1.21 0.00 0.00 61.69 59.42 2jhe s THR 162 Cb -0.16 -0.74 -0.12 0.00 -1.51 0.00 0.00 72.50 69.96 2jhe s THR 162 CO 0.04 0.14 1.72 -2.65 -2.21 0.00 0.00 174.62 171.66 2jhe n PRO 163 N 2.54 2.74 -3.72 7.08 -0.02 -1.26 -1.43 135.00 140.92 2jhe n PRO 163 Ca -0.15 0.99 -0.38 0.00 -2.02 0.00 0.00 63.50 61.94 2jhe n PRO 163 Cb 0.56 -2.83 -0.12 0.00 -0.02 0.00 0.00 33.50 31.09 2jhe n PRO 163 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jhe s VAL 164 N 1.18 4.12 0.51 -1.45 1.01 -0.78 -4.87 120.40 120.11 2jhe s VAL 164 Ca 0.75 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 62.08 2jhe s VAL 164 Cb -0.52 -3.17 0.04 0.00 0.00 0.00 0.00 36.38 32.73 2jhe s VAL 164 CO 0.33 0.00 0.55 -0.31 0.00 0.00 0.00 175.10 175.67 2jhe s TYR 165 N 1.51 1.98 -0.63 5.22 2.02 -1.26 -0.26 117.35 125.93 2jhe s TYR 165 Ca 0.02 -0.66 -0.10 0.00 -0.37 0.00 0.00 57.07 55.97 2jhe s TYR 165 Cb -0.18 -2.14 0.01 0.00 -0.40 0.00 0.00 41.96 39.26 2jhe s TYR 165 CO 0.04 -0.61 0.65 1.47 -1.57 0.00 0.00 175.55 175.53 2jhe n LEU 166 N -1.88 -5.67 -4.43 -1.29 -0.00 -1.26 -4.69 117.00 97.78 2jhe n LEU 166 Ca 0.07 -0.08 -0.46 0.00 -0.00 0.00 0.00 56.01 55.53 2jhe n LEU 166 Cb 0.62 -2.81 -0.14 0.00 -0.00 0.00 0.00 43.42 41.09 2jhe n LEU 166 CO 0.40 -1.05 2.09 1.67 -0.00 0.00 0.00 177.39 180.50 2jhe n GLN 167 N -1.32 0.00 0.00 1.47 -0.06 -1.26 -4.79 117.38 111.42 2jhe n GLN 167 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.96 2jhe n GLN 167 Cb 0.55 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.23 2jhe n GLN 167 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 2jhe n ASP 168 N 9.65 0.37 0.00 1.69 -0.08 0.64 -5.04 116.55 123.78 2jhe n ASP 168 Ca 0.63 -0.98 0.00 0.00 -1.51 0.00 0.00 54.79 52.93 2jhe n ASP 168 Cb 0.01 0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.48 2jhe n ASP 168 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2jhe n GLU 169 N -0.01 0.00 -3.56 -0.67 0.28 -1.15 -4.08 120.64 111.45 2jhe n GLU 169 Ca 0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.84 2jhe n GLU 169 Cb 0.15 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.96 2jhe n GLU 169 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2jhe s ASN 170 N -4.00 -0.54 -0.13 -1.84 2.20 -0.51 -1.87 114.94 108.25 2jhe s ASN 170 Ca 0.00 0.44 -0.03 0.00 -0.94 0.00 0.00 52.86 52.32 2jhe s ASN 170 Cb 0.00 0.50 -0.03 0.00 -2.00 0.00 0.00 41.25 39.72 2jhe s ASN 170 CO 0.00 -0.65 -0.00 -1.81 -2.94 0.00 0.00 177.10 171.70 2jhe s ASP 171 N -1.55 5.12 -0.14 3.54 -0.00 -0.51 -1.72 116.67 121.42 2jhe s ASP 171 Ca -0.09 0.03 -0.00 0.00 -0.00 0.00 0.00 52.55 52.48 2jhe s ASP 171 Cb -0.01 -1.66 -0.01 0.00 -0.00 0.00 0.00 42.92 41.23 2jhe s ASP 171 CO 0.04 0.26 -0.13 -1.10 -0.00 0.00 0.00 175.17 174.25 2jhe s GLN 172 N -0.20 3.37 -0.08 8.23 1.11 0.44 -0.83 119.66 131.70 2jhe s GLN 172 Ca 0.05 -0.69 0.05 0.00 0.01 0.00 0.00 55.36 54.78 2jhe s GLN 172 Cb -0.13 -2.66 -0.01 0.00 -1.01 0.00 0.00 33.01 29.21 2jhe s GLN 172 CO 0.02 0.16 -0.24 -1.58 0.01 0.00 0.00 175.29 173.66 2jhe s HIS 173 N 0.48 2.51 -0.08 0.91 2.46 0.25 -1.40 115.29 120.41 2jhe s HIS 173 Ca -0.09 -0.84 0.02 0.00 0.47 0.00 0.00 55.06 54.62 2jhe s HIS 173 Cb -0.16 -1.65 -0.02 0.00 -0.13 0.00 0.00 32.58 30.62 2jhe s HIS 173 CO 0.04 -0.29 -0.14 0.14 -2.47 0.00 0.00 174.74 172.02 2jhe s VAL 174 N 0.05 3.03 -0.14 0.89 -7.23 -0.73 -0.74 120.40 115.53 2jhe s VAL 174 Ca -0.10 -0.71 0.01 0.00 -1.81 0.00 0.00 61.98 59.37 2jhe s VAL 174 Cb -0.16 -2.22 0.02 0.00 0.56 0.00 0.00 36.38 34.59 2jhe s VAL 174 CO 0.06 0.56 -0.16 -0.76 -0.31 0.00 0.00 175.10 174.49 2jhe s LEU 175 N -0.28 1.80 -0.07 1.32 2.01 -0.14 -3.94 118.68 119.38 2jhe s LEU 175 Ca 0.02 -0.50 -0.29 0.00 0.01 0.00 0.00 54.13 53.36 2jhe s LEU 175 Cb -0.13 -1.22 -0.07 0.00 0.01 0.00 0.00 46.19 44.78 2jhe s LEU 175 CO 0.03 -0.01 1.89 -0.89 1.01 0.00 0.00 176.35 178.38 2jhe s THR 176 N 1.21 3.24 0.25 5.49 2.01 -1.26 -1.28 115.64 125.31 2jhe s THR 176 Ca -0.00 0.28 -0.04 0.00 0.31 0.00 0.00 61.69 62.24 2jhe s THR 176 Cb -0.14 -3.22 0.19 0.00 0.01 0.00 0.00 72.50 69.34 2jhe s THR 176 CO -0.07 -0.06 1.85 0.00 -0.69 0.00 0.00 174.62 175.65 2jhe h ALA 178 N 11.19 1.19 -0.12 7.40 0.00 -1.83 -0.83 119.26 136.26 2jhe h ALA 178 Ca -0.43 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 2jhe h ALA 178 Cb 1.21 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2jhe h ALA 178 CO 0.96 0.61 0.07 0.28 0.00 0.00 0.00 179.25 181.16 2jhe h VAL 179 N 1.06 1.07 -0.67 0.00 2.07 -1.89 -2.93 116.25 114.95 2jhe h VAL 179 Ca 0.25 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.60 2jhe h VAL 179 Cb 0.14 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2jhe h VAL 179 CO -0.03 0.06 0.44 0.58 0.02 0.00 0.00 177.57 178.64 2jhe h VAL 180 N 0.12 1.18 -0.97 2.57 2.07 -1.92 -1.10 116.25 118.20 2jhe h VAL 180 Ca 0.04 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.23 2jhe h VAL 180 Cb 0.04 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 29.96 2jhe h VAL 180 CO -0.01 0.18 0.64 -0.03 0.02 0.00 0.00 177.57 178.37 2jhe h MET 181 N 0.92 1.27 0.00 1.57 4.05 -1.19 0.20 114.93 121.75 2jhe h MET 181 Ca 0.25 -0.08 -0.18 0.00 -0.28 0.00 0.00 59.70 59.40 2jhe h MET 181 Cb -0.09 -0.29 -0.02 0.00 -0.80 0.00 0.00 31.60 30.41 2jhe h MET 181 CO -0.05 0.84 -0.85 -0.07 0.23 0.00 0.00 176.91 177.01 2jhe h LEU 182 N 1.31 0.11 -1.33 3.39 4.07 -1.27 0.19 115.31 121.79 2jhe h LEU 182 Ca 0.35 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.23 2jhe h LEU 182 Cb -0.15 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 41.52 2jhe h LEU 182 CO -0.08 0.91 0.43 -0.09 -1.08 0.00 0.00 178.44 178.53 2jhe h ARG 183 N 0.04 0.88 0.16 1.13 2.43 -0.80 -1.35 114.38 116.87 2jhe h ARG 183 Ca -0.02 -0.06 -0.25 0.00 -0.81 0.00 0.00 59.98 58.84 2jhe h ARG 183 Cb 1.49 -0.20 0.03 0.00 -0.42 0.00 0.00 29.97 30.87 2jhe h ARG 183 CO 0.12 0.59 -1.06 0.77 -1.51 0.00 0.00 179.97 178.88 2jhe h SER 184 N 0.90 0.66 -0.61 -3.80 0.02 -0.35 -1.30 113.55 109.07 2jhe h SER 184 Ca 0.24 -0.90 -0.07 0.00 -0.84 0.00 0.00 61.79 60.22 2jhe h SER 184 Cb -0.09 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.21 2jhe h SER 184 CO -0.05 1.51 0.11 0.71 -1.14 0.00 0.00 176.83 177.97 2jhe h THR 185 N -0.08 1.26 -0.19 -2.27 1.35 -0.56 -0.29 112.91 112.13 2jhe h THR 185 Ca -0.18 -0.98 -0.00 0.00 -0.55 0.00 0.00 66.41 64.70 2jhe h THR 185 Cb 1.81 0.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.94 2jhe h THR 185 CO 0.20 0.36 0.10 0.40 -0.25 0.00 0.00 175.52 176.34 2jhe h ILE 186 N 0.91 1.10 -0.18 6.82 2.04 -1.33 -2.31 117.51 124.56 2jhe h ILE 186 Ca 0.19 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.78 2jhe h ILE 186 Cb 0.41 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 2jhe h ILE 186 CO 0.01 0.10 0.12 0.08 0.00 0.00 0.00 178.15 178.45 2jhe h ARG 187 N 0.20 0.20 0.00 2.37 0.11 -1.09 -2.02 114.38 114.15 2jhe h ARG 187 Ca 0.07 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.11 2jhe h ARG 187 Cb 0.06 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.09 2jhe h ARG 187 CO -0.01 0.14 -0.13 0.00 0.10 0.00 0.00 179.97 180.06 2jhe h MET 188 N 0.21 0.00 0.00 0.08 -0.00 -0.49 -3.02 114.93 111.71 2jhe h MET 188 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.77 2jhe h MET 188 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.62 2jhe h MET 188 CO -0.01 0.13 0.00 0.78 -0.00 0.00 0.00 176.91 177.81 2jhe h GLY 189 N 0.88 0.00 -0.48 -3.00 0.00 -1.07 -3.51 103.07 95.90 2jhe h GLY 189 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jhe h GLY 189 CO 0.02 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.10