#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 -0.03 0.10 2.12 0.52 -1.26 -0.99 118.95 119.42 2jhe s ARG 2 Ca 0.00 0.28 0.08 0.00 -0.52 0.00 0.00 55.73 55.56 2jhe s ARG 2 Cb 0.00 -0.30 -0.04 0.00 0.52 0.00 0.00 34.95 35.13 2jhe s ARG 2 CO 0.00 -0.22 -0.13 -0.51 0.02 0.00 0.00 175.30 174.46 2jhe s LEU 3 N 1.42 2.90 -0.13 2.53 1.43 -0.51 -2.15 118.68 124.17 2jhe s LEU 3 Ca -0.05 -0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 52.60 2jhe s LEU 3 Cb -0.13 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 2jhe s LEU 3 CO -0.04 0.19 -0.13 -0.70 0.23 0.00 0.00 176.35 175.90 2jhe s GLU 4 N -2.12 3.40 -0.18 1.70 2.12 0.23 -0.92 118.70 122.92 2jhe s GLU 4 Ca 0.20 -0.68 0.01 0.00 0.36 0.00 0.00 54.97 54.85 2jhe s GLU 4 Cb -0.11 -2.65 0.02 0.00 0.26 0.00 0.00 34.13 31.65 2jhe s GLU 4 CO 0.12 0.21 -0.19 0.08 -0.54 0.00 0.00 175.26 174.94 2jhe s VAL 5 N 0.37 2.17 0.02 3.70 1.01 0.60 -1.10 120.40 127.17 2jhe s VAL 5 Ca -0.10 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 60.81 2jhe s VAL 5 Cb -0.16 -1.91 -0.06 0.00 0.00 0.00 0.00 36.38 34.25 2jhe s VAL 5 CO 0.05 0.53 0.45 -0.36 0.00 0.00 0.00 175.10 175.78 2jhe s PHE 6 N 1.28 3.75 -0.06 5.22 0.40 -0.86 -1.21 117.98 126.50 2jhe s PHE 6 Ca 0.04 1.07 -0.31 0.00 -0.60 0.00 0.00 56.93 57.13 2jhe s PHE 6 Cb -0.13 -2.34 0.07 0.00 0.51 0.00 0.00 43.02 41.13 2jhe s PHE 6 CO -0.12 0.63 0.70 0.00 0.70 0.00 0.00 175.22 177.13 2jhe s GLU 8 N -1.18 1.98 -1.31 0.00 2.02 0.27 -4.76 118.70 115.72 2jhe s GLU 8 Ca -0.10 1.30 -0.17 0.00 0.02 0.00 0.00 54.97 56.01 2jhe s GLU 8 Cb -0.00 -1.86 0.08 0.00 0.10 0.00 0.00 34.13 32.45 2jhe s GLU 8 CO 0.10 -1.87 1.76 -0.40 0.02 0.00 0.00 175.26 174.87 2jhe n ASP 9 N -3.60 4.86 -4.58 -0.19 5.75 -1.26 -4.94 116.55 112.60 2jhe n ASP 9 Ca 0.10 -2.92 -0.34 0.00 -0.01 0.00 0.00 54.79 51.62 2jhe n ASP 9 Cb 0.53 -1.73 -0.11 0.00 -1.03 0.00 0.00 41.12 38.78 2jhe n ASP 9 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jhe s ARG 10 N 3.91 2.83 0.19 0.11 1.70 -1.26 -5.09 118.95 121.34 2jhe s ARG 10 Ca 0.52 -0.54 -0.33 0.00 -0.47 0.00 0.00 55.73 54.91 2jhe s ARG 10 Cb 0.04 -2.62 -0.13 0.00 -0.57 0.00 0.00 34.95 31.67 2jhe s ARG 10 CO 0.06 0.63 1.65 1.47 -1.08 0.00 0.00 175.30 178.03 2jhe n LEU 11 N 2.33 3.58 0.00 -1.89 -0.00 -1.26 -3.41 117.00 116.35 2jhe n LEU 11 Ca -0.18 1.07 0.00 0.00 -0.00 0.00 0.00 56.01 56.90 2jhe n LEU 11 Cb 0.53 -1.51 0.00 0.00 -0.00 0.00 0.00 43.42 42.44 2jhe n LEU 11 CO 0.27 -0.04 0.00 0.61 -0.00 0.00 0.00 177.39 178.23 2jhe n GLY 12 N 3.68 0.85 0.05 1.47 0.00 -1.26 -4.97 105.19 105.01 2jhe n GLY 12 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 2jhe n GLY 12 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jhe h LEU 13 N 0.00 -0.01 -0.57 0.99 6.46 -1.92 -1.43 115.31 118.83 2jhe h LEU 13 Ca 0.00 -0.05 0.07 0.00 -0.12 0.00 0.00 57.88 57.79 2jhe h LEU 13 Cb 0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 39.87 2jhe h LEU 13 CO 0.00 0.04 0.24 0.74 -0.62 0.00 0.00 178.44 178.84 2jhe h THR 14 N -0.06 0.85 0.00 1.05 2.02 -1.93 0.15 112.91 115.00 2jhe h THR 14 Ca -0.00 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 66.93 2jhe h THR 14 Cb 0.05 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 2jhe h THR 14 CO 0.00 0.08 -0.44 0.03 0.37 0.00 0.00 175.52 175.57 2jhe h ARG 15 N 0.46 0.00 0.07 6.66 3.08 -1.97 -1.03 114.38 121.65 2jhe h ARG 15 Ca 0.27 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 60.06 2jhe h ARG 15 Cb 0.27 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.33 2jhe h ARG 15 CO -0.24 0.44 -1.13 1.49 -1.07 0.00 0.00 179.97 179.46 2jhe h GLU 16 N 0.00 0.47 -0.68 0.04 4.81 -0.19 -1.09 114.58 117.93 2jhe h GLU 16 Ca -0.00 -0.60 0.01 0.00 -0.13 0.00 0.00 59.36 58.63 2jhe h GLU 16 Cb 0.98 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 2jhe h GLU 16 CO 0.06 1.24 0.45 1.25 -0.73 0.00 0.00 179.01 181.28 2jhe h LEU 17 N 0.22 0.78 -0.50 1.64 6.46 -0.48 -0.53 115.31 122.89 2jhe h LEU 17 Ca -0.13 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.57 2jhe h LEU 17 Cb 1.80 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 41.51 2jhe h LEU 17 CO 0.20 0.56 0.18 0.25 -0.62 0.00 0.00 178.44 179.01 2jhe h LEU 18 N 0.92 0.71 -0.85 2.25 5.85 -1.11 -2.78 115.31 120.30 2jhe h LEU 18 Ca 0.25 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.82 2jhe h LEU 18 Cb -0.10 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 2jhe h LEU 18 CO -0.06 0.70 0.55 0.44 -0.34 0.00 0.00 178.44 179.73 2jhe h ASP 19 N 0.67 0.91 -0.25 1.25 3.32 -1.07 0.10 116.42 121.35 2jhe h ASP 19 Ca 0.16 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.21 2jhe h ASP 19 Cb 0.23 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2jhe h ASP 19 CO -0.01 0.63 0.15 0.25 -1.72 0.00 0.00 179.24 178.54 2jhe h LEU 20 N 1.07 0.25 -0.27 1.55 5.85 -0.85 -1.01 115.31 121.91 2jhe h LEU 20 Ca 0.34 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.91 2jhe h LEU 20 Cb -0.00 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 2jhe h LEU 20 CO -0.11 0.18 -0.42 -0.07 -0.34 0.00 0.00 178.44 177.68 2jhe h LEU 21 N 0.31 0.83 -0.27 2.25 4.07 -1.25 -0.97 115.31 120.29 2jhe h LEU 21 Ca 0.10 -0.52 0.06 0.00 0.08 0.00 0.00 57.88 57.60 2jhe h LEU 21 Cb -0.01 -0.24 -0.07 0.00 1.08 0.00 0.00 40.66 41.42 2jhe h LEU 21 CO -0.04 1.19 -0.22 0.58 -1.08 0.00 0.00 178.44 178.87 2jhe h VAL 22 N 0.50 0.42 -0.52 1.22 2.07 -0.87 0.41 116.25 119.48 2jhe h VAL 22 Ca 0.02 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 2jhe h VAL 22 Cb 1.02 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 2jhe h VAL 22 CO 0.10 0.00 0.11 -0.07 0.02 0.00 0.00 177.57 177.72 2jhe h LEU 23 N -0.21 0.76 -0.05 2.57 3.38 -1.06 -1.21 115.31 119.50 2jhe h LEU 23 Ca 0.15 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jhe h LEU 23 Cb 0.44 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2jhe h LEU 23 CO -0.39 0.77 0.00 0.54 0.09 0.00 0.00 178.44 179.44 2jhe n ARG 24 N -4.27 1.00 -2.20 1.13 5.12 -0.38 -4.89 116.66 112.18 2jhe n ARG 24 Ca 0.04 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.76 2jhe n ARG 24 Cb 0.24 -1.02 -0.03 0.00 -1.16 0.00 0.00 32.46 30.49 2jhe n ARG 24 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2jhe n GLY 25 N 0.48 0.10 3.72 -0.13 0.00 -0.46 -4.97 105.19 103.93 2jhe n GLY 25 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.92 4.12 -1.22 -0.61 1.01 0.10 -4.94 121.20 116.75 2jhe s ILE 26 Ca 0.00 1.66 -0.18 0.00 0.00 0.00 0.00 60.65 62.13 2jhe s ILE 26 Cb 0.00 -4.06 0.08 0.00 0.01 0.00 0.00 42.46 38.49 2jhe s ILE 26 CO 0.00 0.20 1.61 -0.62 0.00 0.00 0.00 174.94 176.14 2jhe s ASP 27 N 0.48 6.80 -0.08 3.58 -1.08 -1.26 -4.65 116.67 120.46 2jhe s ASP 27 Ca 0.53 -2.33 -0.30 0.00 -0.52 0.00 0.00 52.55 49.93 2jhe s ASP 27 Cb -0.28 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.61 2jhe s ASP 27 CO 0.31 -1.16 1.24 -0.22 0.52 0.00 0.00 175.17 175.86 2jhe s LEU 28 N 3.89 4.26 -0.22 -1.34 2.96 -1.26 -0.85 118.68 126.12 2jhe s LEU 28 Ca 0.50 1.81 0.04 0.00 -0.22 0.00 0.00 54.13 56.26 2jhe s LEU 28 Cb 0.02 -3.55 -0.16 0.00 0.50 0.00 0.00 46.19 42.99 2jhe s LEU 28 CO 0.03 -0.64 -0.16 0.54 -1.32 0.00 0.00 176.35 174.79 2jhe n ARG 29 N 5.59 0.65 -3.67 1.98 5.12 0.44 -4.98 116.66 121.80 2jhe n ARG 29 Ca 0.12 0.11 -0.15 0.00 -1.93 0.00 0.00 57.85 56.00 2jhe n ARG 29 Cb 0.46 -1.46 -0.08 0.00 -1.16 0.00 0.00 32.46 30.22 2jhe n ARG 29 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2jhe s GLY 30 N -6.06 -0.36 -0.05 -0.13 0.00 -0.34 -4.98 107.32 95.39 2jhe s GLY 30 Ca -0.27 1.02 0.04 0.00 0.00 0.00 0.00 44.72 45.51 2jhe s GLY 30 CO 0.56 0.77 -0.18 -0.42 0.00 0.00 0.00 173.10 173.83 2jhe s ILE 31 N -0.72 1.51 -0.07 0.90 1.01 -1.26 -0.12 121.20 122.45 2jhe s ILE 31 Ca -0.08 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.85 2jhe s ILE 31 Cb -0.03 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 41.15 2jhe s ILE 31 CO 0.05 0.43 -0.16 -1.61 0.00 0.00 0.00 174.94 173.65 2jhe s GLU 32 N 0.09 2.01 -0.17 2.79 2.02 -0.16 -4.97 118.70 120.30 2jhe s GLU 32 Ca -0.06 -0.55 -0.08 0.00 0.02 0.00 0.00 54.97 54.30 2jhe s GLU 32 Cb -0.12 -1.63 -0.04 0.00 0.10 0.00 0.00 34.13 32.44 2jhe s GLU 32 CO 0.03 0.11 0.09 0.42 0.02 0.00 0.00 175.26 175.93 2jhe s ILE 33 N 0.46 5.08 -0.23 -1.63 1.01 -1.26 -0.78 121.20 123.85 2jhe s ILE 33 Ca -0.13 0.07 -0.21 0.00 0.00 0.00 0.00 60.65 60.37 2jhe s ILE 33 Cb -0.15 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 2jhe s ILE 33 CO 0.05 0.48 0.65 -0.62 0.00 0.00 0.00 174.94 175.51 2jhe s ASP 34 N 0.09 6.64 0.61 3.58 -1.08 0.88 -4.96 116.67 122.43 2jhe s ASP 34 Ca 0.07 0.79 0.27 0.00 -0.52 0.00 0.00 52.55 53.16 2jhe s ASP 34 Cb -0.12 -2.35 1.27 0.00 -1.46 0.00 0.00 42.92 40.26 2jhe s ASP 34 CO -0.00 -0.36 1.69 1.55 0.52 0.00 0.00 175.17 178.57 2jhe h PRO 35 N 7.74 0.00 0.42 4.34 0.13 -1.98 0.13 132.00 142.78 2jhe h PRO 35 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 2jhe h PRO 35 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2jhe h PRO 35 CO 0.78 0.00 -0.28 0.82 -0.23 0.00 0.00 178.00 179.09 2jhe h ILE 36 N 0.00 0.41 0.00 -3.56 2.04 -2.02 -3.47 117.51 110.91 2jhe h ILE 36 Ca 0.25 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.11 2jhe h ILE 36 Cb 1.64 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2jhe h ILE 36 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 2jhe n GLY 37 N -1.41 0.01 3.02 5.37 0.00 0.44 -5.00 105.19 107.62 2jhe n GLY 37 Ca -0.11 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 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 0.17 -0.10 1.61 0.52 -1.17 -3.59 118.95 116.39 2jhe s ARG 38 Ca 0.00 0.27 0.03 0.00 -0.52 0.00 0.00 55.73 55.50 2jhe s ARG 38 Cb 0.00 0.03 0.01 0.00 0.52 0.00 0.00 34.95 35.51 2jhe s ARG 38 CO 0.00 -0.06 -0.19 0.42 0.02 0.00 0.00 175.30 175.49 2jhe s ILE 39 N 0.35 1.74 -0.05 1.52 1.01 -0.35 -0.09 121.20 125.34 2jhe s ILE 39 Ca -0.02 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.85 2jhe s ILE 39 Cb -0.04 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 2jhe s ILE 39 CO -0.01 0.49 -0.16 -0.31 0.00 0.00 0.00 174.94 174.95 2jhe s TYR 40 N 0.65 2.67 -0.06 3.97 1.51 0.04 -0.29 117.35 125.85 2jhe s TYR 40 Ca -0.13 -0.23 0.04 0.00 -1.01 0.00 0.00 57.07 55.74 2jhe s TYR 40 Cb -0.16 -1.63 0.00 0.00 -0.11 0.00 0.00 41.96 40.06 2jhe s TYR 40 CO 0.03 0.13 -0.18 -0.51 -1.11 0.00 0.00 175.55 173.92 2jhe s LEU 41 N -0.64 1.89 -0.17 -1.29 1.43 -0.10 -0.99 118.68 118.82 2jhe s LEU 41 Ca 0.09 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2jhe s LEU 41 Cb -0.11 -1.03 0.03 0.00 0.03 0.00 0.00 46.19 45.11 2jhe s LEU 41 CO 0.01 0.13 -0.13 0.21 0.23 0.00 0.00 176.35 176.80 2jhe s ASN 42 N 0.23 2.92 0.09 2.29 3.84 0.82 -1.42 114.94 123.73 2jhe s ASN 42 Ca -0.09 -0.62 -0.05 0.00 0.21 0.00 0.00 52.86 52.31 2jhe s ASN 42 Cb -0.14 -1.19 -0.02 0.00 -0.55 0.00 0.00 41.25 39.35 2jhe s ASN 42 CO 0.04 -0.09 0.11 0.72 -2.79 0.00 0.00 177.10 175.09 2jhe s PHE 43 N 1.46 0.43 0.94 0.43 -0.12 -0.16 -0.42 117.98 120.53 2jhe s PHE 43 Ca 0.03 -0.88 -0.10 0.00 -0.05 0.00 0.00 56.93 55.92 2jhe s PHE 43 Cb -0.14 -0.24 0.16 0.00 -0.63 0.00 0.00 43.02 42.17 2jhe s PHE 43 CO -0.10 -0.51 1.14 0.00 -0.05 0.00 0.00 175.22 175.70 2jhe n ALA 44 N -0.03 -0.96 -1.73 1.99 0.00 -0.03 -2.31 120.51 117.43 2jhe n ALA 44 Ca -0.12 -0.60 -0.42 0.00 0.00 0.00 0.00 53.44 52.30 2jhe n ALA 44 Cb 0.62 -2.19 -0.02 0.00 0.00 0.00 0.00 19.45 17.86 2jhe n ALA 44 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jhe s GLU 45 N -4.62 4.11 0.02 0.00 0.41 -1.26 -4.68 118.70 112.69 2jhe s GLU 45 Ca 0.67 2.62 0.01 0.00 -0.41 0.00 0.00 54.97 57.85 2jhe s GLU 45 Cb -0.23 -3.05 -0.04 0.00 -1.78 0.00 0.00 34.13 29.03 2jhe s GLU 45 CO 0.58 -0.72 0.07 -0.51 -0.49 0.00 0.00 175.26 174.20 2jhe s LEU 46 N 0.49 3.83 0.55 1.80 1.02 -1.26 -5.04 118.68 120.07 2jhe s LEU 46 Ca 0.70 0.08 -0.21 0.00 0.02 0.00 0.00 54.13 54.73 2jhe s LEU 46 Cb -0.49 -2.32 -0.05 0.00 0.02 0.00 0.00 46.19 43.35 2jhe s LEU 46 CO 0.39 0.24 1.25 -1.83 0.02 0.00 0.00 176.35 176.42 2jhe s GLU 47 N -1.93 3.20 0.28 1.70 4.04 -1.26 -4.77 118.70 119.96 2jhe s GLU 47 Ca 0.25 1.95 0.02 0.00 0.04 0.00 0.00 54.97 57.23 2jhe s GLU 47 Cb -0.12 -2.15 0.66 0.00 0.02 0.00 0.00 34.13 32.55 2jhe s GLU 47 CO 0.16 -1.05 1.72 0.35 -1.84 0.00 0.00 175.26 174.60 2jhe h PHE 48 N 1.34 0.72 -0.53 4.83 3.57 -1.99 0.02 116.94 124.90 2jhe h PHE 48 Ca -0.50 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 60.96 2jhe h PHE 48 Cb 1.29 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 2jhe h PHE 48 CO 0.48 0.05 0.06 1.49 -2.23 0.00 0.00 178.31 178.15 2jhe h GLU 49 N 0.50 0.90 -0.06 1.11 4.81 -2.00 -2.22 114.58 117.62 2jhe h GLU 49 Ca 0.53 -0.26 -0.13 0.00 -0.13 0.00 0.00 59.36 59.37 2jhe h GLU 49 Cb 0.92 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 2jhe h GLU 49 CO -0.46 0.89 -0.56 0.77 -0.73 0.00 0.00 179.01 178.93 2jhe h SER 50 N 0.78 0.20 -0.53 1.04 0.02 -1.64 -2.44 113.55 110.98 2jhe h SER 50 Ca 0.16 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 2jhe h SER 50 Cb 0.45 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2jhe h SER 50 CO 0.02 0.72 0.09 0.15 -1.14 0.00 0.00 176.83 176.67 2jhe h PHE 51 N 0.14 0.92 0.16 3.45 3.57 -0.79 -0.98 116.94 123.41 2jhe h PHE 51 Ca -0.00 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 2jhe h PHE 51 Cb 1.03 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 2jhe h PHE 51 CO 0.01 0.82 -0.09 1.03 -2.23 0.00 0.00 178.31 177.86 2jhe h SER 52 N 0.75 -0.22 -0.34 0.41 0.87 -1.41 -0.90 113.55 112.71 2jhe h SER 52 Ca 0.16 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.79 2jhe h SER 52 Cb 0.39 0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.37 2jhe h SER 52 CO 0.01 -0.15 0.03 0.77 -0.53 0.00 0.00 176.83 176.96 2jhe h SER 53 N -0.24 -0.06 -0.53 6.23 4.64 -1.36 -0.44 113.55 121.80 2jhe h SER 53 Ca -0.02 0.07 0.08 0.00 -0.47 0.00 0.00 61.79 61.45 2jhe h SER 53 Cb 0.19 0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 62.33 2jhe h SER 53 CO 0.02 0.00 0.18 0.25 -0.87 0.00 0.00 176.83 176.41 2jhe h LEU 54 N 0.14 0.16 -0.18 5.97 5.85 -0.87 -0.27 115.31 126.11 2jhe h LEU 54 Ca 0.16 0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.79 2jhe h LEU 54 Cb 0.20 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2jhe h LEU 54 CO -0.24 0.11 -0.52 0.24 -0.34 0.00 0.00 178.44 177.69 2jhe h MET 55 N 0.35 0.66 -0.68 1.25 2.86 -0.55 -1.17 114.93 117.66 2jhe h MET 55 Ca 0.26 -0.48 0.14 0.00 -2.06 0.00 0.00 59.70 57.56 2jhe h MET 55 Cb 0.30 0.08 -0.11 0.00 0.06 0.00 0.00 31.60 31.93 2jhe h MET 55 CO -0.27 1.10 0.09 0.00 1.06 0.00 0.00 176.91 178.89 2jhe h ALA 56 N 0.57 0.78 -0.04 6.32 0.00 -0.91 -1.78 119.26 124.19 2jhe h ALA 56 Ca -0.01 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2jhe h ALA 56 Cb 1.14 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2jhe h ALA 56 CO 0.11 -0.36 -0.21 0.93 0.00 0.00 0.00 179.25 179.72 2jhe h GLU 57 N 0.20 0.22 -0.93 0.00 5.08 -0.56 -3.02 114.58 115.57 2jhe h GLU 57 Ca 0.37 -0.18 0.24 0.00 -1.00 0.00 0.00 59.36 58.79 2jhe h GLU 57 Cb 0.61 0.04 -0.17 0.00 0.50 0.00 0.00 28.75 29.73 2jhe h GLU 57 CO -0.51 0.83 0.00 0.82 -1.00 0.00 0.00 179.01 179.15 2jhe h ILE 58 N -0.34 0.10 0.00 3.13 2.04 -1.29 -0.88 117.51 120.27 2jhe h ILE 58 Ca -0.01 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2jhe h ILE 58 Cb 0.87 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2jhe h ILE 58 CO 0.04 0.01 0.00 -1.14 0.00 0.00 0.00 178.15 177.06 2jhe n ARG 59 N -5.46 0.06 0.00 2.37 0.63 -0.67 -2.12 116.66 111.47 2jhe n ARG 59 Ca 0.20 0.37 0.10 0.00 -0.92 0.00 0.00 57.85 57.61 2jhe n ARG 59 Cb 0.67 -1.63 -0.07 0.00 0.45 0.00 0.00 32.46 31.88 2jhe n ARG 59 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2jhe n ARG 60 N -1.74 0.43 -1.74 -0.14 1.74 -0.35 -4.85 116.66 110.01 2jhe n ARG 60 Ca 0.02 -0.35 -0.42 0.00 -0.77 0.00 0.00 57.85 56.33 2jhe n ARG 60 Cb 0.14 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.07 2jhe n ARG 60 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2jhe n ILE 61 N -0.98 1.26 -2.13 0.55 5.41 -0.90 -4.92 119.36 117.64 2jhe n ILE 61 Ca 0.06 -0.31 -0.41 0.00 1.00 0.00 0.00 62.75 63.08 2jhe n ILE 61 Cb 0.38 -1.88 -0.03 0.00 -0.71 0.00 0.00 39.64 37.41 2jhe n ILE 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jhe s ALA 62 N -0.29 3.56 0.00 -1.39 0.00 -1.26 -2.49 121.76 119.89 2jhe s ALA 62 Ca 0.62 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.79 2jhe s ALA 62 Cb -0.52 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.10 2jhe s ALA 62 CO 0.52 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2jhe n GLY 63 N 2.03 2.48 3.69 0.00 0.00 -1.26 -4.95 105.19 107.18 2jhe n GLY 63 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.91 4.82 -1.40 1.61 1.01 -1.04 -0.56 120.40 121.93 2jhe s VAL 64 Ca 0.00 1.96 0.20 0.00 0.00 0.00 0.00 61.98 64.14 2jhe s VAL 64 Cb 0.00 -4.28 -0.11 0.00 0.00 0.00 0.00 36.38 31.99 2jhe s VAL 64 CO 0.00 0.04 0.93 0.35 0.00 0.00 0.00 175.10 176.42 2jhe n THR 65 N 4.43 0.00 -3.61 3.92 -2.24 0.73 -4.91 114.28 112.60 2jhe n THR 65 Ca 0.07 -0.16 -0.03 0.00 -2.27 0.00 0.00 64.05 61.67 2jhe n THR 65 Cb 0.49 1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 69.82 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 -2.59 -0.08 -0.09 3.42 2.15 -1.15 -4.97 116.67 113.36 2jhe s ASP 66 Ca 0.12 -0.01 -0.08 0.00 0.43 0.00 0.00 52.55 53.01 2jhe s ASP 66 Cb 0.16 0.10 0.03 0.00 -0.30 0.00 0.00 42.92 42.90 2jhe s ASP 66 CO 0.67 -0.16 0.25 -0.69 -0.17 0.00 0.00 175.17 175.06 2jhe s VAL 67 N -2.29 -0.01 -0.08 1.11 1.01 -1.26 -2.03 120.40 116.86 2jhe s VAL 67 Ca 0.11 0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.91 2jhe s VAL 67 Cb -0.00 -0.35 0.05 0.00 0.00 0.00 0.00 36.38 36.07 2jhe s VAL 67 CO -0.04 0.01 0.48 0.00 0.00 0.00 0.00 175.10 175.55 2jhe s ARG 68 N 0.32 0.75 0.63 2.72 1.70 -0.26 -4.98 118.95 119.84 2jhe s ARG 68 Ca -0.02 0.24 -0.15 0.00 -0.47 0.00 0.00 55.73 55.33 2jhe s ARG 68 Cb -0.03 0.35 -0.02 0.00 -0.57 0.00 0.00 34.95 34.68 2jhe s ARG 68 CO -0.01 -0.18 1.08 0.95 -1.08 0.00 0.00 175.30 176.06 2jhe s THR 69 N -0.74 3.52 -0.02 4.99 -4.23 -1.26 0.75 115.64 118.66 2jhe s THR 69 Ca -0.08 0.70 -0.07 0.00 -1.18 0.00 0.00 61.69 61.06 2jhe s THR 69 Cb -0.03 -3.23 0.01 0.00 1.34 0.00 0.00 72.50 70.58 2jhe s THR 69 CO 0.05 -0.44 0.15 0.54 -0.54 0.00 0.00 174.62 174.38 2jhe s VAL 70 N -2.42 0.06 -0.11 2.29 0.11 -0.91 -4.78 120.40 114.64 2jhe s VAL 70 Ca 0.65 -0.50 0.21 0.00 -2.93 0.00 0.00 61.98 59.41 2jhe s VAL 70 Cb -0.18 -0.39 0.21 0.00 -1.53 0.00 0.00 36.38 34.48 2jhe s VAL 70 CO 0.40 -0.28 1.65 1.55 -3.33 0.00 0.00 175.10 175.09 2jhe h PRO 71 N 4.67 0.00 -3.47 1.54 0.13 -1.97 -3.41 132.00 129.49 2jhe h PRO 71 Ca -0.29 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.69 2jhe h PRO 71 Cb 1.19 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.11 2jhe h PRO 71 CO 0.40 0.25 -0.49 -1.58 -0.23 0.00 0.00 178.00 176.36 2jhe s TRP 72 N -3.30 0.00 0.64 1.56 0.52 -1.26 -5.02 118.94 112.09 2jhe s TRP 72 Ca 0.03 -0.04 -0.15 0.00 0.02 0.00 0.00 56.10 55.97 2jhe s TRP 72 Cb 0.08 -0.03 -0.01 0.00 -1.15 0.00 0.00 33.47 32.36 2jhe s TRP 72 CO 0.68 -0.26 1.08 -1.64 0.02 0.00 0.00 176.95 176.82 2jhe s MET 73 N -1.18 3.03 0.24 4.98 -1.94 -1.26 -4.85 119.30 118.31 2jhe s MET 73 Ca -0.13 1.24 -0.05 0.00 -1.71 0.00 0.00 55.69 55.04 2jhe s MET 73 Cb -0.07 -1.99 0.44 0.00 2.01 0.00 0.00 34.83 35.23 2jhe s MET 73 CO 0.01 -1.05 1.72 -1.35 -0.01 0.00 0.00 175.02 174.34 2jhe h PRO 74 N 0.06 0.37 -0.83 2.03 0.11 -1.99 -0.36 132.00 131.40 2jhe h PRO 74 Ca -0.46 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 65.73 2jhe h PRO 74 Cb 1.23 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 2jhe h PRO 74 CO 0.56 0.25 0.54 0.66 -0.21 0.00 0.00 178.00 179.79 2jhe h SER 75 N 0.38 0.68 -0.10 -2.05 4.64 -1.99 -0.19 113.55 114.91 2jhe h SER 75 Ca 0.40 0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.53 2jhe h SER 75 Cb 0.63 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.61 2jhe h SER 75 CO -0.43 0.39 -0.74 -0.33 -0.87 0.00 0.00 176.83 174.85 2jhe h GLU 76 N 0.74 0.75 -0.33 4.77 5.08 -1.71 -1.10 114.58 122.77 2jhe h GLU 76 Ca 0.39 -0.59 0.02 0.00 -1.00 0.00 0.00 59.36 58.18 2jhe h GLU 76 Cb 0.50 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 2jhe h GLU 76 CO -0.16 1.20 0.17 0.00 -1.00 0.00 0.00 179.01 179.22 2jhe h ARG 77 N 0.52 0.34 -0.43 2.33 3.08 -0.66 -1.31 114.38 118.25 2jhe h ARG 77 Ca -0.04 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.06 2jhe h ARG 77 Cb 1.36 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 31.27 2jhe h ARG 77 CO 0.15 0.23 0.07 0.93 -1.07 0.00 0.00 179.97 180.27 2jhe h GLU 78 N 0.35 0.19 -0.83 0.04 4.39 -0.93 -1.33 114.58 116.47 2jhe h GLU 78 Ca 0.14 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.86 2jhe h GLU 78 Cb 0.04 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 2jhe h GLU 78 CO -0.09 0.12 0.53 1.25 -1.16 0.00 0.00 179.01 179.66 2jhe h HIS 79 N 0.19 0.99 -0.46 4.33 2.76 -1.06 -2.17 115.15 119.74 2jhe h HIS 79 Ca 0.21 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.36 2jhe h HIS 79 Cb 0.27 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 28.89 2jhe h HIS 79 CO -0.22 0.56 0.10 -0.07 -1.30 0.00 0.00 177.93 176.99 2jhe h LEU 80 N 1.02 0.71 -1.25 0.26 3.38 -0.78 -0.87 115.31 117.78 2jhe h LEU 80 Ca 0.34 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 2jhe h LEU 80 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2jhe h LEU 80 CO -0.12 0.77 -0.36 0.00 0.09 0.00 0.00 178.44 178.81 2jhe h ALA 81 N 0.97 1.38 0.16 1.53 0.00 -1.09 -1.55 119.26 120.65 2jhe h ALA 81 Ca 0.14 -0.34 -0.30 0.00 0.00 0.00 0.00 54.91 54.41 2jhe h ALA 81 Cb 0.35 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.10 2jhe h ALA 81 CO 0.00 0.47 -1.31 -0.07 0.00 0.00 0.00 179.25 178.34 2jhe h LEU 82 N 0.02 0.78 -0.95 0.00 3.38 -1.27 -3.01 115.31 114.27 2jhe h LEU 82 Ca -0.00 -0.77 0.05 0.00 0.09 0.00 0.00 57.88 57.25 2jhe h LEU 82 Cb 0.65 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 2jhe h LEU 82 CO 0.05 1.58 0.61 0.28 0.09 0.00 0.00 178.44 181.05 2jhe h SER 83 N 0.20 1.00 -0.54 -0.43 0.02 -1.08 -2.45 113.55 110.28 2jhe h SER 83 Ca -0.20 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.67 2jhe h SER 83 Cb 1.99 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 64.29 2jhe h SER 83 CO 0.24 0.67 0.02 0.00 -1.14 0.00 0.00 176.83 176.63 2jhe h ALA 84 N 1.40 0.95 0.89 3.77 0.00 -1.33 -0.22 119.26 124.72 2jhe h ALA 84 Ca 0.39 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2jhe h ALA 84 Cb 0.06 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.64 2jhe h ALA 84 CO -0.14 0.64 -0.43 -0.07 0.00 0.00 0.00 179.25 179.25 2jhe h LEU 85 N 0.91 -1.01 -0.79 0.00 3.38 -1.38 -1.41 115.31 115.02 2jhe h LEU 85 Ca 0.17 0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.36 2jhe h LEU 85 Cb 0.50 0.26 -0.13 0.00 0.09 0.00 0.00 40.66 41.38 2jhe h LEU 85 CO 0.02 -0.67 0.12 0.25 0.09 0.00 0.00 178.44 178.25 2jhe h LEU 86 N -1.29 -0.15 -0.83 1.67 5.85 -1.41 -1.52 115.31 117.63 2jhe h LEU 86 Ca -0.12 0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 2jhe h LEU 86 Cb 0.92 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 2jhe h LEU 86 CO 0.20 -0.14 -0.36 -0.33 -0.34 0.00 0.00 178.44 177.48 2jhe h GLU 87 N 0.18 0.00 0.00 1.25 5.08 -0.98 -3.05 114.58 117.06 2jhe h GLU 87 Ca 0.46 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.72 2jhe h GLU 87 Cb 0.84 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2jhe h GLU 87 CO -0.63 0.36 -0.43 0.00 -1.00 0.00 0.00 179.01 177.31 2jhe h ALA 88 N 1.64 0.94 -1.88 3.43 0.00 -0.21 -3.40 119.26 119.79 2jhe h ALA 88 Ca -0.00 -0.39 -0.66 0.00 0.00 0.00 0.00 54.91 53.86 2jhe h ALA 88 Cb 0.93 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.68 2jhe h ALA 88 CO 0.05 0.54 0.97 1.28 0.00 0.00 0.00 179.25 182.08 2jhe n LEU 89 N -3.53 2.96 -0.02 0.00 4.77 -1.04 -4.85 117.00 115.30 2jhe n LEU 89 Ca -0.00 1.03 -0.02 0.00 -0.03 0.00 0.00 56.01 56.98 2jhe n LEU 89 Cb 0.56 -1.29 0.23 0.00 -2.33 0.00 0.00 43.42 40.59 2jhe n LEU 89 CO 0.38 -0.26 0.85 1.55 -1.33 0.00 0.00 177.39 178.58 2jhe h PRO 90 N 7.95 0.57 -6.20 3.23 0.13 -1.91 -3.43 132.00 132.33 2jhe h PRO 90 Ca -0.47 -0.16 -0.53 0.00 -0.87 0.00 0.00 66.00 63.97 2jhe h PRO 90 Cb 1.29 -0.06 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 2jhe h PRO 90 CO 0.94 0.66 -0.55 -1.21 -0.23 0.00 0.00 178.00 177.61 2jhe s GLU 91 N -4.81 2.86 0.20 0.86 2.02 -1.26 -4.70 118.70 113.87 2jhe s GLU 91 Ca -0.08 -1.03 -0.32 0.00 0.02 0.00 0.00 54.97 53.56 2jhe s GLU 91 Cb 0.15 -2.55 -0.14 0.00 0.10 0.00 0.00 34.13 31.68 2jhe s GLU 91 CO 0.78 0.42 1.40 -2.30 0.02 0.00 0.00 175.26 175.59 2jhe n PRO 92 N -0.90 1.86 -4.22 0.39 -0.02 -1.24 -4.82 135.00 126.05 2jhe n PRO 92 Ca -0.08 0.66 -0.18 0.00 -2.02 0.00 0.00 63.50 61.89 2jhe n PRO 92 Cb 0.57 -2.32 -0.15 0.00 -0.02 0.00 0.00 33.50 31.58 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 0.19 0.53 0.08 -1.45 1.01 -1.26 -1.65 120.40 117.85 2jhe s VAL 93 Ca 0.73 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.41 2jhe s VAL 93 Cb -0.71 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 2jhe s VAL 93 CO 0.47 0.17 0.12 -1.48 0.00 0.00 0.00 175.10 174.38 2jhe s LEU 94 N 0.14 1.76 0.28 3.92 0.05 -0.59 -1.70 118.68 122.55 2jhe s LEU 94 Ca -0.02 -0.82 0.09 0.00 0.05 0.00 0.00 54.13 53.44 2jhe s LEU 94 Cb -0.06 0.72 -0.05 0.00 -2.05 0.00 0.00 46.19 44.75 2jhe s LEU 94 CO -0.00 -0.70 -0.14 -0.94 -0.55 0.00 0.00 176.35 174.02 2jhe s SER 95 N -2.90 3.23 0.03 1.48 1.04 -0.24 -0.35 113.70 115.98 2jhe s SER 95 Ca 0.08 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.41 2jhe s SER 95 Cb 0.06 -0.25 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 2jhe s SER 95 CO -0.09 -0.14 -0.04 0.68 0.98 0.00 0.00 173.24 174.63 2jhe s VAL 96 N -2.74 0.19 0.36 5.02 -7.23 -0.49 -1.30 120.40 114.21 2jhe s VAL 96 Ca 0.29 -1.00 -0.04 0.00 -1.81 0.00 0.00 61.98 59.42 2jhe s VAL 96 Cb -0.01 -0.40 0.08 0.00 0.56 0.00 0.00 36.38 36.61 2jhe s VAL 96 CO 0.13 -0.51 0.50 -0.90 -0.31 0.00 0.00 175.10 174.00 2jhe n ASP 97 N 1.48 0.30 0.08 4.85 5.68 -0.27 -1.93 116.55 126.74 2jhe n ASP 97 Ca -0.23 -1.34 0.09 0.00 -0.50 0.00 0.00 54.79 52.81 2jhe n ASP 97 Cb 0.55 -0.36 0.38 0.00 -1.14 0.00 0.00 41.12 40.56 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 -2.00 0.10 -0.36 0.11 2.81 -1.20 0.21 117.12 116.79 2jhe n MET 98 Ca 0.07 0.41 0.10 0.00 -1.81 0.00 0.00 57.70 56.47 2jhe n MET 98 Cb 0.25 -1.71 0.29 0.00 -0.71 0.00 0.00 33.22 31.34 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 -1.90 2.62 -1.35 0.03 4.01 -1.26 -4.90 118.16 115.40 2jhe n LYS 99 Ca 0.02 -2.38 -0.13 0.00 -0.51 0.00 0.00 58.31 55.30 2jhe n LYS 99 Cb 0.15 -1.54 -0.06 0.00 -0.51 0.00 0.00 35.03 33.07 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 1.37 -5.06 -4.75 4.39 3.41 0.13 -4.88 113.62 108.24 2jhe n SER 100 Ca 0.22 0.33 -0.41 0.00 -0.26 0.00 0.00 58.87 58.75 2jhe n SER 100 Cb 0.58 -4.05 -0.04 0.00 -0.26 0.00 0.00 64.21 60.44 2jhe n SER 100 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2jhe s LYS 101 N -3.06 4.56 0.07 4.33 2.20 -1.26 -0.46 119.74 126.11 2jhe s LYS 101 Ca 0.00 1.87 -0.31 0.00 -0.36 0.00 0.00 55.97 57.18 2jhe s LYS 101 Cb 0.00 -3.20 -0.08 0.00 -1.51 0.00 0.00 37.83 33.05 2jhe s LYS 101 CO 0.00 0.06 1.52 0.08 -0.36 0.00 0.00 175.35 176.65 2jhe s VAL 102 N -0.76 3.24 -0.05 4.02 1.01 -0.05 -1.11 120.40 126.70 2jhe s VAL 102 Ca 0.48 0.74 -0.05 0.00 0.00 0.00 0.00 61.98 63.15 2jhe s VAL 102 Cb -0.33 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2jhe s VAL 102 CO 0.41 0.01 -0.10 -0.67 0.00 0.00 0.00 175.10 174.75 2jhe n ASP 103 N 5.08 0.59 -4.59 3.32 2.03 -0.42 -4.42 116.55 118.14 2jhe n ASP 103 Ca 0.14 0.13 -0.25 0.00 0.52 0.00 0.00 54.79 55.33 2jhe n ASP 103 Cb 0.42 -0.58 -0.09 0.00 -0.72 0.00 0.00 41.12 40.15 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 -1.57 2.13 -0.24 -0.67 1.75 -1.23 -4.89 119.30 114.58 2jhe s MET 104 Ca -0.08 -1.36 -0.14 0.00 -1.25 0.00 0.00 55.69 52.86 2jhe s MET 104 Cb 0.01 -2.13 0.07 0.00 2.84 0.00 0.00 34.83 35.62 2jhe s MET 104 CO 0.13 0.40 0.59 0.00 -0.65 0.00 0.00 175.02 175.48 2jhe s ALA 105 N -2.00 -1.56 0.71 4.11 0.00 -1.26 -1.08 121.76 120.68 2jhe s ALA 105 Ca 0.28 2.05 -0.11 0.00 0.00 0.00 0.00 51.96 54.18 2jhe s ALA 105 Cb -0.08 -1.22 0.02 0.00 0.00 0.00 0.00 23.12 21.85 2jhe s ALA 105 CO 0.17 -0.33 1.08 0.54 0.00 0.00 0.00 175.76 177.22 2jhe s ASN 106 N 1.44 5.31 0.29 0.00 4.22 -0.69 -4.89 114.94 120.62 2jhe s ASN 106 Ca -0.09 1.33 0.03 0.00 -2.14 0.00 0.00 52.86 51.99 2jhe s ASN 106 Cb -0.06 -2.17 0.64 0.00 1.28 0.00 0.00 41.25 40.94 2jhe s ASN 106 CO -0.16 -1.45 1.79 -0.65 -2.04 0.00 0.00 177.10 174.59 2jhe h PRO 107 N -0.73 0.76 -0.98 3.55 0.11 -1.87 -1.66 132.00 131.19 2jhe h PRO 107 Ca -0.45 -0.05 0.25 0.00 0.11 0.00 0.00 66.00 65.87 2jhe h PRO 107 Cb 1.24 -0.17 -0.13 0.00 0.11 0.00 0.00 31.00 32.05 2jhe h PRO 107 CO 0.61 0.51 0.54 0.00 -0.21 0.00 0.00 178.00 179.44 2jhe h ALA 108 N 1.60 1.73 -0.29 -0.75 0.00 -1.84 0.86 119.26 120.57 2jhe h ALA 108 Ca 0.53 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.52 2jhe h ALA 108 Cb 0.74 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2jhe h ALA 108 CO -0.35 -0.34 -0.10 0.77 0.00 0.00 0.00 179.25 179.23 2jhe h SER 109 N 0.49 0.59 -0.53 0.00 0.02 -1.60 -1.82 113.55 110.70 2jhe h SER 109 Ca 0.64 -0.38 0.02 0.00 -0.84 0.00 0.00 61.79 61.22 2jhe h SER 109 Cb 1.26 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.61 2jhe h SER 109 CO -0.51 0.84 0.33 0.00 -1.14 0.00 0.00 176.83 176.34 2jhe h GLN 111 N 0.66 -0.05 0.40 0.00 -0.00 -0.96 -0.08 115.11 115.08 2jhe h GLN 111 Ca 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.85 2jhe h GLN 111 Cb -0.01 0.01 -0.03 0.00 -0.00 0.00 0.00 27.48 27.45 2jhe h GLN 111 CO -0.08 -0.02 -0.44 1.25 -0.00 0.00 0.00 178.83 179.54 2jhe h LEU 112 N -0.07 -1.23 0.00 0.06 5.85 -0.94 -2.58 115.31 116.40 2jhe h LEU 112 Ca -0.01 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2jhe h LEU 112 Cb 0.06 0.41 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2jhe h LEU 112 CO 0.01 -0.59 0.00 0.49 -0.34 0.00 0.00 178.44 178.01 2jhe n PHE 113 N -5.52 0.00 -3.61 1.25 3.72 -0.37 -4.94 117.46 108.00 2jhe n PHE 113 Ca -0.11 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.08 2jhe n PHE 113 Cb 0.42 -0.21 0.06 0.00 -0.94 0.00 0.00 39.48 38.81 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 0.98 -0.41 3.14 1.37 0.00 -0.14 -5.02 105.19 105.12 2jhe n GLY 114 Ca 0.15 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 2jhe n GLY 114 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jhe s GLN 115 N -5.92 0.30 0.68 1.61 -0.21 -0.64 -5.04 119.66 110.44 2jhe s GLN 115 Ca 0.24 0.42 -0.16 0.00 0.02 0.00 0.00 55.36 55.87 2jhe s GLN 115 Cb -0.11 0.10 0.01 0.00 1.00 0.00 0.00 33.01 34.02 2jhe s GLN 115 CO 0.76 -0.06 1.22 -1.59 -2.12 0.00 0.00 175.29 173.50 2jhe s LYS 116 N 0.36 2.44 0.27 2.91 0.00 -1.26 -4.48 119.74 119.98 2jhe s LYS 116 Ca -0.02 1.80 -0.01 0.00 0.00 0.00 0.00 55.97 57.75 2jhe s LYS 116 Cb -0.03 -1.86 0.51 0.00 0.00 0.00 0.00 37.83 36.45 2jhe s LYS 116 CO -0.02 -1.62 1.81 1.25 0.00 0.00 0.00 175.35 176.78 2jhe h LEU 117 N 0.14 0.76 -0.54 2.77 5.85 -1.94 -1.34 115.31 121.00 2jhe h LEU 117 Ca -0.49 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.40 2jhe h LEU 117 Cb 1.30 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 42.14 2jhe h LEU 117 CO 0.52 0.39 -0.16 -0.78 -0.34 0.00 0.00 178.44 178.06 2jhe h ASP 118 N 0.84 -0.58 -0.08 1.25 3.58 -1.99 -0.86 116.42 118.57 2jhe h ASP 118 Ca 0.47 0.17 -0.17 0.00 0.42 0.00 0.00 57.03 57.91 2jhe h ASP 118 Cb 0.52 0.36 -0.00 0.00 1.72 0.00 0.00 39.33 41.93 2jhe h ASP 118 CO -0.29 -0.20 -0.57 0.03 -2.88 0.00 0.00 179.24 175.33 2jhe h ARG 119 N -0.03 0.68 -0.81 0.28 3.08 -1.65 -3.17 114.38 112.76 2jhe h ARG 119 Ca 0.26 -0.44 0.12 0.00 0.07 0.00 0.00 59.98 59.99 2jhe h ARG 119 Cb 0.42 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.45 2jhe h ARG 119 CO -0.57 1.06 0.43 1.25 -1.07 0.00 0.00 179.97 181.07 2jhe h LEU 120 N 0.51 0.55 -1.25 3.04 5.85 -0.45 0.21 115.31 123.77 2jhe h LEU 120 Ca 0.01 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2jhe h LEU 120 Cb 1.14 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2jhe h LEU 120 CO 0.11 0.27 0.09 0.54 -0.34 0.00 0.00 178.44 179.12 2jhe n ARG 121 N -4.83 0.12 0.08 1.25 1.74 -0.41 -1.84 116.66 112.77 2jhe n ARG 121 Ca 0.15 0.62 0.13 0.00 -0.77 0.00 0.00 57.85 57.97 2jhe n ARG 121 Cb 0.36 -1.99 0.46 0.00 -1.02 0.00 0.00 32.46 30.26 2jhe n ARG 121 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jhe n ASN 122 N -2.19 0.59 -4.77 0.55 5.03 0.06 -4.41 115.26 110.13 2jhe n ASN 122 Ca -0.01 0.57 -0.35 0.00 0.87 0.00 0.00 54.58 55.65 2jhe n ASN 122 Cb 0.12 -0.72 -0.08 0.00 -1.02 0.00 0.00 39.78 38.08 2jhe n ASN 122 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 2jhe s HIS 123 N -3.10 3.33 0.74 3.10 3.76 -0.77 -4.96 115.29 117.40 2jhe s HIS 123 Ca 0.11 0.31 -0.12 0.00 -0.15 0.00 0.00 55.06 55.21 2jhe s HIS 123 Cb 0.13 -1.83 0.04 0.00 1.11 0.00 0.00 32.58 32.03 2jhe s HIS 123 CO 0.55 0.58 1.11 0.95 -0.85 0.00 0.00 174.74 177.08 2jhe s THR 124 N -0.98 3.11 0.30 1.30 -4.23 -1.26 -0.87 115.64 113.01 2jhe s THR 124 Ca 0.15 0.43 -0.00 0.00 -1.18 0.00 0.00 61.69 61.09 2jhe s THR 124 Cb -0.12 -2.89 0.27 0.00 1.34 0.00 0.00 72.50 71.11 2jhe s THR 124 CO 0.05 -0.41 1.93 0.00 -0.54 0.00 0.00 174.62 175.65 2jhe h ALA 125 N -0.72 1.48 0.00 3.99 0.00 -1.11 -2.27 119.26 120.63 2jhe h ALA 125 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2jhe h ALA 125 Cb 1.24 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2jhe h ALA 125 CO 0.51 0.42 0.00 0.00 0.00 0.00 0.00 179.25 180.19 2jhe n ALA 126 N -2.40 2.23 0.80 0.00 0.00 -1.26 -1.35 120.51 118.53 2jhe n ALA 126 Ca 0.12 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2jhe n ALA 126 Cb 0.13 -1.35 0.22 0.00 0.00 0.00 0.00 19.45 18.45 2jhe n ALA 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jhe n GLN 127 N -1.12 0.13 -0.03 0.00 6.02 -0.85 -4.40 117.38 117.12 2jhe n GLN 127 Ca 0.14 0.03 -0.04 0.00 -0.01 0.00 0.00 57.00 57.12 2jhe n GLN 127 Cb 0.11 -1.58 -0.05 0.00 1.02 0.00 0.00 30.24 29.75 2jhe n GLN 127 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2jhe n LEU 128 N -1.77 0.87 -3.92 1.08 4.77 -0.65 -4.97 117.00 112.42 2jhe n LEU 128 Ca 0.04 -0.01 -0.27 0.00 -0.03 0.00 0.00 56.01 55.74 2jhe n LEU 128 Cb 0.38 0.03 -0.17 0.00 -2.33 0.00 0.00 43.42 41.33 2jhe n LEU 128 CO 0.36 0.29 -0.44 -0.63 -1.33 0.00 0.00 177.39 175.64 2jhe s ILE 129 N -2.15 1.08 0.60 -0.08 1.01 -0.45 -4.98 121.20 116.22 2jhe s ILE 129 Ca -0.05 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 2jhe s ILE 129 Cb 0.02 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 2jhe s ILE 129 CO 0.23 0.37 1.00 0.20 0.00 0.00 0.00 174.94 176.75 2jhe s ASN 130 N 1.69 6.22 0.00 3.58 0.01 -1.26 -4.39 114.94 120.79 2jhe s ASN 130 Ca 0.05 1.34 0.00 0.00 -0.71 0.00 0.00 52.86 53.54 2jhe s ASN 130 Cb -0.13 -2.42 0.00 0.00 0.41 0.00 0.00 41.25 39.11 2jhe s ASN 130 CO -0.08 -0.84 0.00 0.61 -1.51 0.00 0.00 177.10 175.28 2jhe n GLY 131 N -2.69 0.71 3.22 0.66 0.00 -1.26 -4.55 105.19 101.27 2jhe n GLY 131 Ca 0.05 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.51 -0.95 1.61 5.36 -1.26 -4.97 117.98 115.26 2jhe s PHE 132 Ca 0.00 1.13 -0.20 0.00 -0.96 0.00 0.00 56.93 56.90 2jhe s PHE 132 Cb 0.00 0.20 0.11 0.00 -0.34 0.00 0.00 43.02 42.99 2jhe s PHE 132 CO 0.00 -0.30 1.21 -0.80 -1.46 0.00 0.00 175.22 173.87 2jhe s ASN 133 N 1.23 6.60 0.13 6.13 0.01 -1.26 -4.77 114.94 123.02 2jhe s ASN 133 Ca -0.08 -1.92 -0.11 0.00 -0.71 0.00 0.00 52.86 50.04 2jhe s ASN 133 Cb -0.08 -2.44 -0.07 0.00 0.41 0.00 0.00 41.25 39.07 2jhe s ASN 133 CO -0.10 -1.16 1.42 -0.26 -1.51 0.00 0.00 177.10 175.49 2jhe h PHE 134 N 9.03 1.09 -0.01 2.20 -1.00 -1.96 -2.50 116.94 123.79 2jhe h PHE 134 Ca 0.17 -0.38 -0.01 0.00 2.81 0.00 0.00 57.97 60.56 2jhe h PHE 134 Cb 1.02 -0.21 -0.00 0.00 3.61 0.00 0.00 35.95 40.37 2jhe h PHE 134 CO 1.19 1.21 -0.02 1.25 -1.61 0.00 0.00 178.31 180.33 2jhe h LEU 135 N 0.67 0.04 -0.59 1.54 6.46 -1.92 -1.47 115.31 120.04 2jhe h LEU 135 Ca 0.02 -0.53 0.11 0.00 -0.12 0.00 0.00 57.88 57.36 2jhe h LEU 135 Cb 1.13 -0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 40.96 2jhe h LEU 135 CO 0.12 0.56 0.11 -0.09 -0.62 0.00 0.00 178.44 178.51 2jhe h ARG 136 N -0.48 0.23 -0.60 1.25 2.43 -1.98 -1.03 114.38 114.20 2jhe h ARG 136 Ca 0.00 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2jhe h ARG 136 Cb 0.55 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 2jhe h ARG 136 CO 0.00 0.15 0.21 2.35 -1.51 0.00 0.00 179.97 181.18 2jhe h TRP 137 N 0.24 0.91 -0.91 2.20 7.01 -1.35 -2.61 115.95 121.45 2jhe h TRP 137 Ca 0.31 -0.06 0.01 0.00 2.11 0.00 0.00 58.89 61.25 2jhe h TRP 137 Cb 0.46 -0.27 -0.05 0.00 -2.10 0.00 0.00 29.16 27.20 2jhe h TRP 137 CO -0.26 0.72 0.60 -0.07 -2.79 0.00 0.00 178.44 176.65 2jhe h LEU 138 N 0.87 1.04 -0.33 0.65 4.07 -0.54 -2.37 115.31 118.71 2jhe h LEU 138 Ca 0.20 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.13 2jhe h LEU 138 Cb 0.22 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.70 2jhe h LEU 138 CO -0.01 0.76 0.00 -0.62 -1.08 0.00 0.00 178.44 177.48 2jhe n GLU 139 N -4.45 1.22 0.00 1.13 1.02 -0.46 -3.21 120.64 115.89 2jhe n GLU 139 Ca 0.10 -0.33 0.14 0.00 -0.02 0.00 0.00 57.16 57.05 2jhe n GLU 139 Cb 0.01 -1.32 0.58 0.00 -0.02 0.00 0.00 31.44 30.70 2jhe n GLU 139 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2jhe n SER 140 N -0.45 0.54 -3.47 1.62 7.64 -0.89 -4.93 113.62 113.68 2jhe n SER 140 Ca 0.14 -0.61 -0.23 0.00 1.01 0.00 0.00 58.87 59.18 2jhe n SER 140 Cb 0.14 -0.05 0.06 0.00 -1.01 0.00 0.00 64.21 63.35 2jhe n SER 140 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jhe n GLU 141 N -0.91 -1.92 -2.18 1.43 1.02 -1.20 -4.92 120.64 111.95 2jhe n GLU 141 Ca 0.14 0.67 -0.37 0.00 -0.02 0.00 0.00 57.16 57.58 2jhe n GLU 141 Cb 0.29 -5.03 -0.00 0.00 -0.02 0.00 0.00 31.44 26.68 2jhe n GLU 141 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2jhe s PRO 142 N -5.19 3.62 -0.17 3.49 0.04 -1.26 -4.94 135.00 130.59 2jhe s PRO 142 Ca 0.45 1.83 0.16 0.00 0.04 0.00 0.00 61.00 63.47 2jhe s PRO 142 Cb -0.11 -2.34 -0.22 0.00 0.04 0.00 0.00 34.50 31.87 2jhe s PRO 142 CO 0.80 -0.68 0.06 1.04 0.04 0.00 0.00 177.00 178.26 2jhe n GLN 143 N -0.66 1.10 -4.26 4.56 1.13 -1.26 -4.87 117.38 113.14 2jhe n GLN 143 Ca 0.08 -0.01 -0.23 0.00 -1.94 0.00 0.00 57.00 54.91 2jhe n GLN 143 Cb 0.48 -1.45 -0.07 0.00 0.11 0.00 0.00 30.24 29.31 2jhe n GLN 143 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2jhe s ASP 144 N -5.17 4.74 0.64 1.08 1.01 -1.26 -4.85 116.67 112.86 2jhe s ASP 144 Ca -0.09 -0.57 -0.18 0.00 0.71 0.00 0.00 52.55 52.43 2jhe s ASP 144 Cb 0.05 -0.96 -0.01 0.00 1.01 0.00 0.00 42.92 43.01 2jhe s ASP 144 CO 0.73 -0.01 1.24 -0.44 0.21 0.00 0.00 175.17 176.90 2jhe s SER 145 N -3.71 4.79 -0.04 0.27 0.01 -1.26 -4.55 113.70 109.20 2jhe s SER 145 Ca 0.32 2.48 0.04 0.00 1.31 0.00 0.00 55.95 60.10 2jhe s SER 145 Cb -0.07 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.56 2jhe s SER 145 CO 0.21 -1.87 -0.17 -2.28 0.41 0.00 0.00 173.24 169.54 2jhe s HIS 146 N -1.57 1.68 -0.13 2.43 2.46 -0.38 -4.98 115.29 114.80 2jhe s HIS 146 Ca 0.79 -0.48 -0.02 0.00 0.47 0.00 0.00 55.06 55.83 2jhe s HIS 146 Cb -0.33 -1.13 -0.03 0.00 -0.13 0.00 0.00 32.58 30.96 2jhe s HIS 146 CO 0.38 -0.16 -0.06 -0.80 -2.47 0.00 0.00 174.74 171.63 2jhe s ASN 147 N 0.04 4.66 -0.01 9.88 0.01 -1.25 -0.99 114.94 127.28 2jhe s ASN 147 Ca -0.04 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.00 2jhe s ASN 147 Cb -0.11 -1.60 0.01 0.00 0.41 0.00 0.00 41.25 39.96 2jhe s ASN 147 CO 0.02 0.22 -0.01 -0.70 -1.51 0.00 0.00 177.10 175.13 2jhe s GLU 148 N 0.02 0.12 -0.17 -0.60 2.56 -0.22 -4.98 118.70 115.43 2jhe s GLU 148 Ca -0.01 -0.01 -0.25 0.00 0.00 0.00 0.00 54.97 54.71 2jhe s GLU 148 Cb -0.14 -0.17 -0.02 0.00 2.00 0.00 0.00 34.13 35.81 2jhe s GLU 148 CO 0.03 -0.01 0.80 -1.01 -0.56 0.00 0.00 175.26 174.51 2jhe s HIS 149 N 0.21 3.41 0.15 5.30 3.76 -1.26 0.03 115.29 126.89 2jhe s HIS 149 Ca -0.02 1.20 0.07 0.00 -0.15 0.00 0.00 55.06 56.16 2jhe s HIS 149 Cb -0.03 -2.98 -0.04 0.00 1.11 0.00 0.00 32.58 30.64 2jhe s HIS 149 CO -0.01 -0.23 -0.14 0.14 -0.85 0.00 0.00 174.74 173.65 2jhe s VAL 150 N 2.11 1.49 -0.14 -0.90 -7.23 -0.25 -4.99 120.40 110.49 2jhe s VAL 150 Ca 0.37 -1.91 0.02 0.00 -1.81 0.00 0.00 61.98 58.64 2jhe s VAL 150 Cb -0.16 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 35.03 2jhe s VAL 150 CO 0.12 -0.49 -0.20 0.54 -0.31 0.00 0.00 175.10 174.77 2jhe s VAL 151 N -2.48 2.31 -0.19 1.32 0.11 -1.26 -1.11 120.40 119.11 2jhe s VAL 151 Ca 0.14 -0.90 -0.00 0.00 -2.93 0.00 0.00 61.98 58.29 2jhe s VAL 151 Cb -0.03 -1.94 0.05 0.00 -1.53 0.00 0.00 36.38 32.93 2jhe s VAL 151 CO 0.04 0.54 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.67 2jhe s ILE 152 N 0.69 1.19 -1.41 7.04 1.01 -0.36 -4.47 121.20 124.88 2jhe s ILE 152 Ca -0.09 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 2jhe s ILE 152 Cb -0.16 -1.42 0.04 0.00 0.01 0.00 0.00 42.46 40.93 2jhe s ILE 152 CO 0.01 0.03 0.97 0.59 0.00 0.00 0.00 174.94 176.54 2jhe n ASN 153 N 4.83 -4.13 0.00 3.58 3.02 -1.26 -1.24 115.26 120.06 2jhe n ASN 153 Ca -0.12 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 2jhe n ASN 153 Cb 0.47 -4.31 0.00 0.00 -0.61 0.00 0.00 39.78 35.33 2jhe n ASN 153 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jhe n GLY 154 N -1.70 0.39 3.69 7.41 0.00 -1.26 -5.00 105.19 108.72 2jhe n GLY 154 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 2jhe n GLY 154 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jhe s GLN 155 N -0.72 3.96 0.01 1.61 -0.21 -0.37 -5.09 119.66 118.85 2jhe s GLN 155 Ca 0.00 -0.29 -0.26 0.00 0.02 0.00 0.00 55.36 54.83 2jhe s GLN 155 Cb 0.00 -3.26 -0.04 0.00 1.00 0.00 0.00 33.01 30.71 2jhe s GLN 155 CO 0.00 0.34 0.82 -0.80 -2.12 0.00 0.00 175.29 173.53 2jhe s ASN 156 N 0.19 7.22 0.03 5.90 0.02 -1.26 -1.23 114.94 125.81 2jhe s ASN 156 Ca 0.06 1.46 0.04 0.00 -1.02 0.00 0.00 52.86 53.40 2jhe s ASN 156 Cb -0.12 -2.49 -0.02 0.00 0.02 0.00 0.00 41.25 38.64 2jhe s ASN 156 CO -0.00 -0.10 -0.12 -0.36 0.02 0.00 0.00 177.10 176.54 2jhe s PHE 157 N 0.45 1.07 -0.12 2.20 0.40 -0.26 -1.64 117.98 120.08 2jhe s PHE 157 Ca 0.42 -0.32 -0.23 0.00 -0.60 0.00 0.00 56.93 56.20 2jhe s PHE 157 Cb -0.20 -0.65 -0.03 0.00 0.51 0.00 0.00 43.02 42.65 2jhe s PHE 157 CO 0.24 0.01 0.69 -1.17 0.70 0.00 0.00 175.22 175.68 2jhe s LEU 158 N -0.97 4.25 -0.18 -0.37 2.96 -0.46 -1.09 118.68 122.82 2jhe s LEU 158 Ca 0.01 1.07 -0.00 0.00 -0.22 0.00 0.00 54.13 54.98 2jhe s LEU 158 Cb -0.07 -3.03 0.00 0.00 0.50 0.00 0.00 46.19 43.59 2jhe s LEU 158 CO 0.01 -0.19 -0.14 -0.32 -1.32 0.00 0.00 176.35 174.38 2jhe s MET 159 N 1.28 3.18 -0.20 1.98 -2.45 0.10 -1.08 119.30 122.13 2jhe s MET 159 Ca 0.35 -0.75 -0.02 0.00 -1.25 0.00 0.00 55.69 54.02 2jhe s MET 159 Cb -0.17 -2.69 -0.00 0.00 1.25 0.00 0.00 34.83 33.22 2jhe s MET 159 CO 0.15 -0.09 -0.09 -2.00 1.05 0.00 0.00 175.02 174.04 2jhe s GLU 160 N 1.09 3.31 -0.13 4.11 2.12 -0.64 -1.05 118.70 127.50 2jhe s GLU 160 Ca -0.00 -0.67 0.02 0.00 0.36 0.00 0.00 54.97 54.67 2jhe s GLU 160 Cb -0.14 -2.86 -0.00 0.00 0.26 0.00 0.00 34.13 31.38 2jhe s GLU 160 CO -0.04 -0.13 -0.18 -1.50 -0.54 0.00 0.00 175.26 172.87 2jhe s ILE 161 N 1.24 2.52 -0.02 -3.70 2.07 -0.16 -0.96 121.20 122.19 2jhe s ILE 161 Ca 0.03 -0.84 0.06 0.00 -1.41 0.00 0.00 60.65 58.49 2jhe s ILE 161 Cb -0.14 -2.03 -0.02 0.00 0.13 0.00 0.00 42.46 40.41 2jhe s ILE 161 CO -0.04 0.54 -0.21 -0.89 -1.91 0.00 0.00 174.94 172.43 2jhe s THR 162 N 0.51 1.67 0.27 4.00 2.01 0.47 -1.25 115.64 123.32 2jhe s THR 162 Ca -0.12 -0.90 -0.29 0.00 0.31 0.00 0.00 61.69 60.69 2jhe s THR 162 Cb -0.16 -1.39 -0.09 0.00 0.01 0.00 0.00 72.50 70.86 2jhe s THR 162 CO 0.05 0.47 1.22 -2.84 -0.69 0.00 0.00 174.62 172.83 2jhe s PRO 163 N -0.46 4.48 -0.27 4.92 0.02 -1.26 -0.26 135.00 142.18 2jhe s PRO 163 Ca 0.07 2.00 -0.05 0.00 0.02 0.00 0.00 61.00 63.03 2jhe s PRO 163 Cb -0.09 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.28 2jhe s PRO 163 CO -0.00 -0.04 0.03 0.08 -0.33 0.00 0.00 177.00 176.73 2jhe s VAL 164 N -0.81 3.68 0.00 3.83 1.01 -0.50 -4.84 120.40 122.77 2jhe s VAL 164 Ca 0.49 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2jhe s VAL 164 Cb -0.35 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2jhe s VAL 164 CO 0.44 0.20 0.00 0.00 0.00 0.00 0.00 175.10 175.74 2jhe n TYR 165 N 4.82 0.00 -2.66 5.22 9.36 -1.26 -1.24 117.16 131.40 2jhe n TYR 165 Ca -0.16 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.63 2jhe n TYR 165 Cb 0.49 0.04 0.00 0.00 -0.63 0.00 0.00 39.34 39.24 2jhe n TYR 165 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 2jhe n LEU 166 N 0.00 5.28 0.00 2.98 -0.00 -1.26 -4.67 117.00 119.33 2jhe n LEU 166 Ca 0.00 -4.19 0.00 0.00 -0.00 0.00 0.00 56.01 51.82 2jhe n LEU 166 Cb 0.00 -1.68 0.00 0.00 -0.00 0.00 0.00 43.42 41.74 2jhe n LEU 166 CO 0.00 0.52 0.00 1.67 -0.00 0.00 0.00 177.39 179.58 2jhe n GLN 167 N 6.88 0.00 0.00 1.96 -0.06 -1.25 -4.99 117.38 119.92 2jhe n GLN 167 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.44 2jhe n GLN 167 Cb 0.44 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.62 2jhe n GLN 167 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 2jhe n ASP 168 N 0.26 0.03 0.00 1.69 5.68 -0.38 -5.01 116.55 118.82 2jhe n ASP 168 Ca 0.00 -0.49 0.00 0.00 -0.50 0.00 0.00 54.79 53.80 2jhe n ASP 168 Cb 0.00 0.90 0.00 0.00 -1.14 0.00 0.00 41.12 40.88 2jhe n ASP 168 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2jhe n GLU 169 N -0.90 0.00 -3.51 0.11 0.28 -1.24 -3.27 120.64 112.10 2jhe n GLU 169 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.83 2jhe n GLU 169 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 2jhe n GLU 169 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2jhe s ASN 170 N -4.00 -0.65 -0.19 -1.84 -0.87 -0.81 -1.41 114.94 105.16 2jhe s ASN 170 Ca 0.00 0.66 -0.08 0.00 -1.57 0.00 0.00 52.86 51.87 2jhe s ASN 170 Cb 0.00 0.54 -0.04 0.00 -0.02 0.00 0.00 41.25 41.73 2jhe s ASN 170 CO 0.00 -0.64 0.07 -0.62 -2.57 0.00 0.00 177.10 173.34 2jhe s ASP 171 N -1.32 5.63 -0.13 -1.22 2.15 0.64 -1.40 116.67 121.02 2jhe s ASP 171 Ca -0.10 0.06 -0.01 0.00 0.43 0.00 0.00 52.55 52.93 2jhe s ASP 171 Cb -0.00 -1.97 -0.02 0.00 -0.30 0.00 0.00 42.92 40.63 2jhe s ASP 171 CO 0.08 0.14 -0.11 0.00 -0.17 0.00 0.00 175.17 175.11 2jhe s GLN 172 N 0.55 3.40 -0.12 4.34 1.03 0.53 -0.40 119.66 128.98 2jhe s GLN 172 Ca 0.04 -0.65 0.02 0.00 0.04 0.00 0.00 55.36 54.81 2jhe s GLN 172 Cb -0.13 -2.68 0.01 0.00 0.03 0.00 0.00 33.01 30.25 2jhe s GLN 172 CO 0.01 0.25 -0.17 -1.58 -2.54 0.00 0.00 175.29 171.26 2jhe s HIS 173 N 0.28 2.17 -0.13 9.60 2.46 -0.14 -1.54 115.29 127.99 2jhe s HIS 173 Ca -0.08 -1.07 0.01 0.00 0.47 0.00 0.00 55.06 54.39 2jhe s HIS 173 Cb -0.15 -1.54 -0.01 0.00 -0.13 0.00 0.00 32.58 30.75 2jhe s HIS 173 CO 0.05 -0.54 -0.17 0.14 -2.47 0.00 0.00 174.74 171.76 2jhe s VAL 174 N 1.01 2.69 -0.17 0.89 -7.23 -0.66 -1.62 120.40 115.32 2jhe s VAL 174 Ca -0.05 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 2jhe s VAL 174 Cb -0.15 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.69 2jhe s VAL 174 CO -0.03 0.53 -0.15 -0.76 -0.31 0.00 0.00 175.10 174.38 2jhe s LEU 175 N 0.44 2.43 -0.23 1.32 1.02 -0.24 -3.72 118.68 119.70 2jhe s LEU 175 Ca -0.12 -0.51 -0.36 0.00 0.02 0.00 0.00 54.13 53.16 2jhe s LEU 175 Cb -0.16 -1.56 -0.12 0.00 0.02 0.00 0.00 46.19 44.37 2jhe s LEU 175 CO 0.05 0.05 1.99 0.41 0.02 0.00 0.00 176.35 178.87 2jhe n THR 176 N 4.30 0.37 -0.25 5.49 -1.04 -1.26 -1.36 114.28 120.53 2jhe n THR 176 Ca -0.19 -0.17 0.32 0.00 -2.04 0.00 0.00 64.05 61.97 2jhe n THR 176 Cb 0.51 -1.69 0.69 0.00 -1.82 0.00 0.00 70.33 68.02 2jhe n THR 176 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jhe h ALA 178 N 10.30 2.94 0.10 2.41 0.00 -1.62 -2.67 119.26 130.72 2jhe h ALA 178 Ca -0.40 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.20 2jhe h ALA 178 Cb 1.30 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2jhe h ALA 178 CO 0.98 -1.45 -1.45 0.28 0.00 0.00 0.00 179.25 177.61 2jhe h VAL 179 N 0.00 0.98 -0.69 0.00 2.07 -1.89 -2.95 116.25 113.77 2jhe h VAL 179 Ca 0.50 -2.37 0.01 0.00 0.82 0.00 0.00 66.70 65.67 2jhe h VAL 179 Cb 2.30 2.65 -0.04 0.00 -1.52 0.00 0.00 31.29 34.68 2jhe h VAL 179 CO -0.01 0.69 0.46 0.58 0.02 0.00 0.00 177.57 179.31 2jhe h VAL 180 N -0.34 1.16 -0.46 2.57 2.07 -1.88 -2.02 116.25 117.36 2jhe h VAL 180 Ca -0.32 -0.32 0.09 0.00 0.82 0.00 0.00 66.70 66.98 2jhe h VAL 180 Cb 1.74 0.16 -0.10 0.00 -1.52 0.00 0.00 31.29 31.57 2jhe h VAL 180 CO 0.03 0.17 -0.20 0.24 0.02 0.00 0.00 177.57 177.84 2jhe h MET 181 N 0.92 -0.09 -0.55 1.57 0.00 -1.58 0.76 114.93 115.97 2jhe h MET 181 Ca 0.26 0.01 -0.02 0.00 0.00 0.00 0.00 59.70 59.94 2jhe h MET 181 Cb -0.09 0.02 -0.02 0.00 0.00 0.00 0.00 31.60 31.51 2jhe h MET 181 CO -0.06 -0.06 0.25 -0.07 0.00 0.00 0.00 176.91 176.96 2jhe h LEU 182 N -0.10 0.73 -0.73 1.22 4.07 -1.30 -0.21 115.31 119.00 2jhe h LEU 182 Ca 0.22 -0.15 0.08 0.00 0.08 0.00 0.00 57.88 58.12 2jhe h LEU 182 Cb 0.44 -0.19 -0.07 0.00 1.08 0.00 0.00 40.66 41.92 2jhe h LEU 182 CO -0.53 0.68 0.39 -0.09 -1.08 0.00 0.00 178.44 177.81 2jhe h ARG 183 N 0.74 0.66 -0.26 1.13 2.43 -1.08 0.29 114.38 118.29 2jhe h ARG 183 Ca 0.19 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 2jhe h ARG 183 Cb 0.15 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2jhe h ARG 183 CO -0.02 0.43 -0.12 0.77 -1.51 0.00 0.00 179.97 179.53 2jhe h SER 184 N 0.68 0.55 0.87 -3.80 0.02 -0.54 -0.76 113.55 110.57 2jhe h SER 184 Ca 0.35 -0.40 -0.08 0.00 -0.84 0.00 0.00 61.79 60.82 2jhe h SER 184 Cb 0.32 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2jhe h SER 184 CO -0.24 0.83 -0.38 0.71 -1.14 0.00 0.00 176.83 176.62 2jhe h THR 185 N 0.27 0.87 -0.37 -2.27 1.35 -0.84 0.38 112.91 112.32 2jhe h THR 185 Ca 0.06 -1.54 -0.14 0.00 -0.55 0.00 0.00 66.41 64.25 2jhe h THR 185 Cb 0.62 1.94 -0.01 0.00 -1.73 0.00 0.00 68.15 68.97 2jhe h THR 185 CO 0.04 0.37 -0.31 0.40 -0.25 0.00 0.00 175.52 175.77 2jhe h ILE 186 N 0.00 1.28 -0.48 6.82 2.04 -0.40 -3.26 117.51 123.50 2jhe h ILE 186 Ca -0.00 -1.47 -0.04 0.00 1.00 0.00 0.00 64.86 64.34 2jhe h ILE 186 Cb 0.91 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 2jhe h ILE 186 CO 0.05 0.49 0.14 0.08 0.00 0.00 0.00 178.15 178.90 2jhe h ARG 187 N 0.65 0.76 -1.40 2.37 -0.00 -0.91 -2.92 114.38 112.93 2jhe h ARG 187 Ca 0.07 -0.17 0.41 0.00 -0.00 0.00 0.00 59.98 60.28 2jhe h ARG 187 Cb 0.89 -0.11 -0.06 0.00 -0.00 0.00 0.00 29.97 30.69 2jhe h ARG 187 CO 0.08 0.73 1.01 0.00 -0.00 0.00 0.00 179.97 181.78 2jhe h MET 188 N 0.65 0.00 0.00 0.08 -0.00 -0.97 0.68 114.93 115.38 2jhe h MET 188 Ca 0.15 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.85 2jhe h MET 188 Cb 0.30 -0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.90 2jhe h MET 188 CO -0.00 0.00 0.04 0.78 -0.00 0.00 0.00 176.91 177.73 2jhe h GLY 189 N 0.00 0.00 0.00 -3.00 0.00 -1.57 -3.51 103.07 95.00 2jhe h GLY 189 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.00 2jhe h GLY 189 CO -0.01 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 175.57