#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 2.55 0.03 2.12 0.52 -1.26 -2.82 118.95 120.09 2jhe s ARG 2 Ca 0.00 -0.69 0.02 0.00 -0.52 0.00 0.00 55.73 54.54 2jhe s ARG 2 Cb 0.00 -2.07 -0.04 0.00 0.52 0.00 0.00 34.95 33.36 2jhe s ARG 2 CO 0.00 0.01 0.05 -0.51 0.02 0.00 0.00 175.30 174.87 2jhe s LEU 3 N 0.77 3.70 -0.15 2.53 1.43 -0.43 -0.93 118.68 125.60 2jhe s LEU 3 Ca -0.10 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2jhe s LEU 3 Cb -0.16 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.82 2jhe s LEU 3 CO 0.01 0.24 -0.18 -0.70 0.23 0.00 0.00 176.35 175.94 2jhe s GLU 4 N -1.93 3.11 -0.17 1.70 2.12 0.23 -1.09 118.70 122.67 2jhe s GLU 4 Ca 0.24 -0.80 -0.02 0.00 0.36 0.00 0.00 54.97 54.75 2jhe s GLU 4 Cb -0.12 -2.55 -0.01 0.00 0.26 0.00 0.00 34.13 31.71 2jhe s GLU 4 CO 0.16 -0.03 -0.10 0.08 -0.54 0.00 0.00 175.26 174.83 2jhe s VAL 5 N 0.90 3.17 -0.10 3.70 1.01 0.11 -1.01 120.40 128.18 2jhe s VAL 5 Ca -0.04 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 2jhe s VAL 5 Cb -0.15 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 2jhe s VAL 5 CO -0.03 0.49 0.14 -0.36 0.00 0.00 0.00 175.10 175.34 2jhe s PHE 6 N 0.83 3.56 0.10 5.22 0.40 0.41 -0.59 117.98 127.90 2jhe s PHE 6 Ca -0.03 0.47 -0.23 0.00 -0.60 0.00 0.00 56.93 56.54 2jhe s PHE 6 Cb -0.15 -1.91 0.06 0.00 0.51 0.00 0.00 43.02 41.54 2jhe s PHE 6 CO 0.01 0.70 0.57 0.00 0.70 0.00 0.00 175.22 177.20 2jhe s GLU 8 N -3.03 0.92 -1.30 0.00 -1.05 0.20 -4.66 118.70 109.78 2jhe s GLU 8 Ca -0.02 -0.51 -0.18 0.00 -0.15 0.00 0.00 54.97 54.10 2jhe s GLU 8 Cb -0.00 -1.95 0.06 0.00 -0.44 0.00 0.00 34.13 31.80 2jhe s GLU 8 CO -0.06 -2.18 1.77 -0.40 0.95 0.00 0.00 175.26 175.34 2jhe n ASP 9 N -3.56 4.77 -4.17 0.83 5.75 -1.26 -4.92 116.55 113.99 2jhe n ASP 9 Ca 0.15 -2.90 -0.26 0.00 -0.01 0.00 0.00 54.79 51.76 2jhe n ASP 9 Cb 0.60 -1.75 -0.16 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 4.36 1.71 0.09 0.11 1.70 -1.26 -5.10 118.95 120.57 2jhe s ARG 10 Ca 0.55 -0.66 -0.33 0.00 -0.47 0.00 0.00 55.73 54.82 2jhe s ARG 10 Cb 0.04 -1.56 -0.12 0.00 -0.57 0.00 0.00 34.95 32.74 2jhe s ARG 10 CO 0.08 0.33 1.73 -0.11 -1.08 0.00 0.00 175.30 176.25 2jhe n LEU 11 N 2.89 3.50 0.00 -1.89 0.00 -1.26 -2.94 117.00 117.30 2jhe n LEU 11 Ca -0.17 1.03 0.00 0.00 0.00 0.00 0.00 56.01 56.87 2jhe n LEU 11 Cb 0.53 -1.46 0.00 0.00 0.00 0.00 0.00 43.42 42.50 2jhe n LEU 11 CO 0.24 -0.07 0.00 0.61 0.00 0.00 0.00 177.39 178.17 2jhe n GLY 12 N 3.91 0.75 0.23 -3.96 0.00 -1.26 -4.96 105.19 99.90 2jhe n GLY 12 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 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 0.90 -0.53 0.99 6.46 -1.89 -2.22 115.31 119.01 2jhe h LEU 13 Ca 0.00 -0.55 -0.08 0.00 -0.12 0.00 0.00 57.88 57.13 2jhe h LEU 13 Cb 0.00 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.65 2jhe h LEU 13 CO 0.00 1.34 0.00 0.74 -0.62 0.00 0.00 178.44 179.91 2jhe h THR 14 N 0.56 1.26 -0.47 1.05 2.02 -1.93 -1.71 112.91 113.69 2jhe h THR 14 Ca -0.03 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.06 2jhe h THR 14 Cb 1.30 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 2jhe h THR 14 CO 0.14 0.39 0.31 -0.09 0.37 0.00 0.00 175.52 176.64 2jhe h ARG 15 N 0.81 0.63 -0.18 6.66 9.65 -1.98 -1.86 114.38 128.11 2jhe h ARG 15 Ca 0.15 -0.04 -0.09 0.00 -1.10 0.00 0.00 59.98 58.90 2jhe h ARG 15 Cb 0.52 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.95 2jhe h ARG 15 CO 0.03 0.42 -0.28 1.49 2.80 0.00 0.00 179.97 184.43 2jhe h GLU 16 N 0.64 0.34 -0.14 0.20 4.81 -1.17 0.27 114.58 119.53 2jhe h GLU 16 Ca 0.17 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2jhe h GLU 16 Cb -0.06 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 2jhe h GLU 16 CO -0.04 0.60 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.74 2jhe h LEU 17 N 0.31 0.28 -0.81 1.64 3.38 -1.22 -1.68 115.31 117.20 2jhe h LEU 17 Ca 0.04 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 2jhe h LEU 17 Cb 0.65 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2jhe h LEU 17 CO 0.05 0.58 0.21 -0.07 0.09 0.00 0.00 178.44 179.30 2jhe h LEU 18 N -0.02 1.03 -0.68 1.67 3.38 -1.01 -1.83 115.31 117.85 2jhe h LEU 18 Ca 0.04 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 57.89 2jhe h LEU 18 Cb 0.46 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 2jhe h LEU 18 CO 0.01 0.96 0.35 0.44 0.09 0.00 0.00 178.44 180.30 2jhe h ASP 19 N 1.05 0.48 -0.35 -0.43 3.32 -0.41 -1.23 116.42 118.85 2jhe h ASP 19 Ca 0.23 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 2jhe h ASP 19 Cb 0.31 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 2jhe h ASP 19 CO -0.01 0.29 0.15 0.25 -1.72 0.00 0.00 179.24 178.20 2jhe h LEU 20 N 0.62 0.48 -0.59 1.55 5.85 -0.90 0.25 115.31 122.58 2jhe h LEU 20 Ca 0.32 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.96 2jhe h LEU 20 Cb 0.28 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 2jhe h LEU 20 CO -0.23 0.51 0.25 -0.07 -0.34 0.00 0.00 178.44 178.57 2jhe h LEU 21 N 0.43 0.31 -0.45 2.25 3.38 -1.19 -2.26 115.31 117.77 2jhe h LEU 21 Ca 0.12 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2jhe h LEU 21 Cb 0.18 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2jhe h LEU 21 CO -0.01 0.19 0.29 0.58 0.09 0.00 0.00 178.44 179.58 2jhe h VAL 22 N 0.47 1.13 -0.44 1.22 2.07 -0.61 -1.76 116.25 118.33 2jhe h VAL 22 Ca 0.28 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.58 2jhe h VAL 22 Cb 0.29 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2jhe h VAL 22 CO -0.25 0.12 0.29 0.25 0.02 0.00 0.00 177.57 178.01 2jhe h LEU 23 N 0.61 0.42 -1.71 2.57 5.85 -0.13 -2.78 115.31 120.13 2jhe h LEU 23 Ca 0.16 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2jhe h LEU 23 Cb -0.05 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.88 2jhe h LEU 23 CO -0.03 0.29 0.00 0.54 -0.34 0.00 0.00 178.44 178.90 2jhe n ARG 24 N -4.48 2.08 -1.00 1.25 5.12 -0.89 -4.92 116.66 113.82 2jhe n ARG 24 Ca 0.04 -1.67 -0.00 0.00 -1.93 0.00 0.00 57.85 54.29 2jhe n ARG 24 Cb 0.14 -1.37 -0.00 0.00 -1.16 0.00 0.00 32.46 30.06 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 1.25 0.47 3.66 -0.13 0.00 -1.05 -5.01 105.19 104.38 2jhe n GLY 25 Ca 0.16 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.00 5.34 -0.29 -0.61 1.01 -0.69 -5.05 121.20 118.91 2jhe s ILE 26 Ca 0.00 0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.75 2jhe s ILE 26 Cb 0.00 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 2jhe s ILE 26 CO 0.00 0.33 0.40 -1.81 0.00 0.00 0.00 174.94 173.86 2jhe s ASP 27 N 1.04 6.26 0.13 3.58 1.01 -1.26 -4.19 116.67 123.25 2jhe s ASP 27 Ca 0.09 0.21 -0.30 0.00 0.71 0.00 0.00 52.55 53.26 2jhe s ASP 27 Cb -0.14 -2.22 -0.07 0.00 1.01 0.00 0.00 42.92 41.51 2jhe s ASP 27 CO 0.05 -0.24 1.11 -0.22 0.21 0.00 0.00 175.17 176.08 2jhe s LEU 28 N 2.11 4.45 -0.08 1.23 2.96 -1.26 -4.25 118.68 123.84 2jhe s LEU 28 Ca 0.15 2.02 0.15 0.00 -0.22 0.00 0.00 54.13 56.24 2jhe s LEU 28 Cb -0.16 -3.59 -0.23 0.00 0.50 0.00 0.00 46.19 42.71 2jhe s LEU 28 CO 0.10 -0.27 0.23 0.54 -1.32 0.00 0.00 176.35 175.63 2jhe n ARG 29 N 2.87 0.92 -3.62 1.98 1.74 0.20 -4.98 116.66 115.78 2jhe n ARG 29 Ca 0.04 -0.09 -0.08 0.00 -0.77 0.00 0.00 57.85 56.95 2jhe n ARG 29 Cb 0.47 -1.39 -0.06 0.00 -1.02 0.00 0.00 32.46 30.45 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 -4.32 -0.09 -0.04 -0.13 0.00 -1.10 -4.98 107.32 96.66 2jhe s GLY 30 Ca -0.07 2.59 0.01 0.00 0.00 0.00 0.00 44.72 47.25 2jhe s GLY 30 CO 0.66 1.47 -0.03 -1.50 0.00 0.00 0.00 173.10 173.70 2jhe s ILE 31 N -0.44 0.43 0.13 0.90 2.07 -1.26 -0.33 121.20 122.71 2jhe s ILE 31 Ca 0.03 -0.08 0.09 0.00 -1.41 0.00 0.00 60.65 59.28 2jhe s ILE 31 Cb -0.03 -0.47 -0.04 0.00 0.13 0.00 0.00 42.46 42.05 2jhe s ILE 31 CO -0.05 0.19 -0.21 -1.61 -1.91 0.00 0.00 174.94 171.35 2jhe s GLU 32 N 0.85 1.24 -0.05 3.50 2.02 -0.44 -4.98 118.70 120.84 2jhe s GLU 32 Ca -0.11 -1.29 0.02 0.00 0.02 0.00 0.00 54.97 53.61 2jhe s GLU 32 Cb -0.13 -1.49 0.01 0.00 0.10 0.00 0.00 34.13 32.62 2jhe s GLU 32 CO -0.00 0.33 -0.09 0.42 0.02 0.00 0.00 175.26 175.95 2jhe s ILE 33 N -1.43 0.84 -0.35 -1.63 1.01 -1.26 -0.25 121.20 118.12 2jhe s ILE 33 Ca 0.11 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 2jhe s ILE 33 Cb -0.09 -0.79 0.02 0.00 0.01 0.00 0.00 42.46 41.61 2jhe s ILE 33 CO 0.06 0.28 0.18 -0.62 0.00 0.00 0.00 174.94 174.84 2jhe s ASP 34 N 0.67 5.65 0.60 3.58 -1.08 0.13 -5.00 116.67 121.22 2jhe s ASP 34 Ca -0.12 -0.86 0.29 0.00 -0.52 0.00 0.00 52.55 51.35 2jhe s ASP 34 Cb -0.14 -2.01 1.03 0.00 -1.46 0.00 0.00 42.92 40.34 2jhe s ASP 34 CO 0.02 -0.32 1.35 1.55 0.52 0.00 0.00 175.17 178.29 2jhe h PRO 35 N 8.40 0.00 -0.11 4.34 0.13 -2.00 0.17 132.00 142.93 2jhe h PRO 35 Ca -0.27 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.79 2jhe h PRO 35 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2jhe h PRO 35 CO 0.65 0.00 -0.23 0.82 -0.23 0.00 0.00 178.00 179.00 2jhe h ILE 36 N 0.00 1.22 0.00 -3.56 5.03 -1.99 -3.46 117.51 114.75 2jhe h ILE 36 Ca 0.53 -1.01 0.00 0.00 -0.12 0.00 0.00 64.86 64.26 2jhe h ILE 36 Cb 2.96 1.40 0.00 0.00 -3.03 0.00 0.00 36.82 38.15 2jhe h ILE 36 CO -0.01 0.30 0.00 0.61 -0.68 0.00 0.00 178.15 178.38 2jhe n GLY 37 N -0.67 0.13 2.82 5.37 0.00 0.48 -5.00 105.19 108.32 2jhe n GLY 37 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.02 -0.14 1.61 0.52 -0.58 -2.07 118.95 118.27 2jhe s ARG 38 Ca 0.00 0.10 0.02 0.00 -0.52 0.00 0.00 55.73 55.33 2jhe s ARG 38 Cb 0.00 -0.13 0.01 0.00 0.52 0.00 0.00 34.95 35.36 2jhe s ARG 38 CO 0.00 -0.09 -0.21 0.42 0.02 0.00 0.00 175.30 175.44 2jhe s ILE 39 N 0.54 2.01 -0.11 1.52 1.01 0.24 0.19 121.20 126.60 2jhe s ILE 39 Ca -0.05 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.62 2jhe s ILE 39 Cb -0.07 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 2jhe s ILE 39 CO -0.02 0.54 0.07 -0.31 0.00 0.00 0.00 174.94 175.22 2jhe s TYR 40 N 0.89 3.35 -0.08 3.97 1.51 0.65 0.08 117.35 127.73 2jhe s TYR 40 Ca -0.05 0.33 0.02 0.00 -1.01 0.00 0.00 57.07 56.35 2jhe s TYR 40 Cb -0.15 -1.87 0.01 0.00 -0.11 0.00 0.00 41.96 39.84 2jhe s TYR 40 CO -0.03 0.56 -0.14 -0.51 -1.11 0.00 0.00 175.55 174.32 2jhe s LEU 41 N -0.85 1.68 -0.19 -1.29 1.43 -0.25 -1.33 118.68 117.88 2jhe s LEU 41 Ca 0.13 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 2jhe s LEU 41 Cb -0.12 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.16 2jhe s LEU 41 CO 0.03 0.03 -0.12 0.21 0.23 0.00 0.00 176.35 176.73 2jhe s ASN 42 N 0.77 3.78 0.23 2.29 3.84 0.55 -1.31 114.94 125.08 2jhe s ASN 42 Ca -0.12 -0.49 -0.20 0.00 0.21 0.00 0.00 52.86 52.26 2jhe s ASN 42 Cb -0.16 -1.62 0.03 0.00 -0.55 0.00 0.00 41.25 38.96 2jhe s ASN 42 CO 0.02 0.01 0.63 0.72 -2.79 0.00 0.00 177.10 175.69 2jhe s PHE 43 N 1.29 -0.21 0.69 0.43 -0.12 -1.13 0.63 117.98 119.56 2jhe s PHE 43 Ca 0.04 -0.16 -0.15 0.00 -0.05 0.00 0.00 56.93 56.61 2jhe s PHE 43 Cb -0.14 0.57 0.02 0.00 -0.63 0.00 0.00 43.02 42.84 2jhe s PHE 43 CO -0.06 -1.06 1.17 0.00 -0.05 0.00 0.00 175.22 175.22 2jhe s ALA 44 N -3.88 2.27 -0.25 1.99 0.00 -1.26 -1.63 121.76 119.00 2jhe s ALA 44 Ca 0.09 0.78 -0.41 0.00 0.00 0.00 0.00 51.96 52.42 2jhe s ALA 44 Cb -0.03 -3.42 -0.17 0.00 0.00 0.00 0.00 23.12 19.50 2jhe s ALA 44 CO 0.00 -1.61 1.59 0.39 0.00 0.00 0.00 175.76 176.13 2jhe n GLU 45 N -2.51 0.79 -2.93 0.00 -0.58 -1.26 -4.67 120.64 109.48 2jhe n GLU 45 Ca 0.12 0.29 -0.33 0.00 -0.42 0.00 0.00 57.16 56.82 2jhe n GLU 45 Cb 0.51 -1.91 -0.07 0.00 -0.57 0.00 0.00 31.44 29.40 2jhe n GLU 45 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2jhe s LEU 46 N 2.63 4.00 0.86 -4.62 1.02 -1.26 -5.06 118.68 116.25 2jhe s LEU 46 Ca 0.97 1.56 -0.12 0.00 0.02 0.00 0.00 54.13 56.55 2jhe s LEU 46 Cb -1.17 -4.36 0.09 0.00 0.02 0.00 0.00 46.19 40.77 2jhe s LEU 46 CO 0.66 -0.29 1.01 -1.84 0.02 0.00 0.00 176.35 175.90 2jhe n GLU 47 N -0.49 -0.09 -0.32 1.70 0.00 -1.26 -4.85 120.64 115.33 2jhe n GLU 47 Ca 0.06 0.04 0.05 0.00 0.00 0.00 0.00 57.16 57.31 2jhe n GLU 47 Cb 0.54 -2.28 0.21 0.00 0.00 0.00 0.00 31.44 29.90 2jhe n GLU 47 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.13 177.87 2jhe h PHE 48 N -1.28 0.94 0.23 -1.84 0.05 -1.99 -2.28 116.94 110.76 2jhe h PHE 48 Ca -0.45 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.36 2jhe h PHE 48 Cb 1.29 -0.29 0.00 0.00 2.00 0.00 0.00 35.95 38.96 2jhe h PHE 48 CO 0.45 0.35 -0.11 1.05 -0.18 0.00 0.00 178.31 179.87 2jhe h GLU 49 N 0.83 -0.30 -0.26 1.51 4.11 -2.01 -2.31 114.58 116.16 2jhe h GLU 49 Ca 0.45 0.02 0.07 0.00 0.07 0.00 0.00 59.36 59.97 2jhe h GLU 49 Cb 0.47 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2jhe h GLU 49 CO -0.28 0.07 0.21 0.77 0.07 0.00 0.00 179.01 179.85 2jhe h SER 50 N -0.76 0.00 0.13 3.06 0.02 -1.94 -2.85 113.55 111.21 2jhe h SER 50 Ca -0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2jhe h SER 50 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2jhe h SER 50 CO 0.05 0.00 -0.06 0.15 -1.14 0.00 0.00 176.83 175.83 2jhe h PHE 51 N 0.00 -0.16 -0.14 3.45 3.57 -1.01 -2.96 116.94 119.68 2jhe h PHE 51 Ca 0.12 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.49 2jhe h PHE 51 Cb 0.54 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 2jhe h PHE 51 CO 0.00 0.12 -0.47 1.03 -2.23 0.00 0.00 178.31 176.76 2jhe h SER 52 N -0.44 0.40 1.33 0.41 0.87 -1.19 -2.41 113.55 112.52 2jhe h SER 52 Ca -0.02 -0.19 -0.14 0.00 -1.23 0.00 0.00 61.79 60.21 2jhe h SER 52 Cb 0.35 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2jhe h SER 52 CO 0.03 0.81 -0.67 0.77 -0.53 0.00 0.00 176.83 177.24 2jhe h SER 53 N 0.30 0.00 0.04 6.23 4.64 -1.64 -2.79 113.55 120.33 2jhe h SER 53 Ca 0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2jhe h SER 53 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2jhe h SER 53 CO 0.08 0.67 -0.02 0.25 -0.87 0.00 0.00 176.83 176.94 2jhe h LEU 54 N 0.00 -0.05 -0.42 5.97 5.85 -1.36 0.73 115.31 126.03 2jhe h LEU 54 Ca -0.01 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.58 2jhe h LEU 54 Cb 1.51 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.46 2jhe h LEU 54 CO 0.09 0.19 -0.31 0.24 -0.34 0.00 0.00 178.44 178.31 2jhe h MET 55 N -0.29 -0.22 -0.87 1.25 2.86 -1.49 0.58 114.93 116.76 2jhe h MET 55 Ca -0.01 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.75 2jhe h MET 55 Cb 0.26 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.91 2jhe h MET 55 CO 0.01 -0.14 0.56 0.00 1.06 0.00 0.00 176.91 178.40 2jhe h ALA 56 N 0.84 1.69 -0.05 6.32 0.00 -1.36 -2.03 119.26 124.68 2jhe h ALA 56 Ca 0.18 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2jhe h ALA 56 Cb 0.53 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2jhe h ALA 56 CO -0.55 0.12 -0.45 1.49 0.00 0.00 0.00 179.25 179.86 2jhe h GLU 57 N 0.82 0.39 -0.79 0.00 4.81 -0.01 -2.91 114.58 116.89 2jhe h GLU 57 Ca 0.41 -0.36 0.09 0.00 -0.13 0.00 0.00 59.36 59.37 2jhe h GLU 57 Cb 0.46 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.85 2jhe h GLU 57 CO -0.17 1.01 0.44 0.82 -0.73 0.00 0.00 179.01 180.38 2jhe h ILE 58 N -0.11 0.90 0.00 2.32 2.04 -0.89 -2.11 117.51 119.67 2jhe h ILE 58 Ca -0.04 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2jhe h ILE 58 Cb 1.13 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2jhe h ILE 58 CO 0.09 0.14 -0.03 0.03 0.00 0.00 0.00 178.15 178.38 2jhe h ARG 59 N 0.75 0.00 0.00 2.37 3.08 -1.20 -2.51 114.38 116.86 2jhe h ARG 59 Ca 0.38 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.41 2jhe h ARG 59 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 2jhe h ARG 59 CO -0.24 0.03 -0.11 0.00 -1.07 0.00 0.00 179.97 178.57 2jhe h ARG 60 N 0.00 0.00 -6.71 0.04 3.08 -1.19 -3.45 114.38 106.15 2jhe h ARG 60 Ca -0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 2jhe h ARG 60 Cb 0.08 0.00 0.08 0.00 0.08 0.00 0.00 29.97 30.22 2jhe h ARG 60 CO 0.00 0.11 0.78 -0.89 -1.07 0.00 0.00 179.97 178.90 2jhe n ILE 61 N -3.13 0.95 -1.69 2.04 5.41 -0.95 -4.89 119.36 117.11 2jhe n ILE 61 Ca 0.04 -0.24 -0.42 0.00 1.00 0.00 0.00 62.75 63.13 2jhe n ILE 61 Cb 0.57 -1.77 -0.03 0.00 -0.71 0.00 0.00 39.64 37.70 2jhe n ILE 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jhe n ALA 62 N 2.12 2.18 0.00 -1.39 0.00 -1.26 -2.25 120.51 119.92 2jhe n ALA 62 Ca 0.10 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2jhe n ALA 62 Cb 0.35 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 17.18 2jhe n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jhe n GLY 63 N 4.29 2.29 3.71 0.00 0.00 -1.26 -4.94 105.19 109.28 2jhe n GLY 63 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.65 4.96 -0.36 1.61 1.01 -0.95 0.62 120.40 124.64 2jhe s VAL 64 Ca 0.00 1.66 0.18 0.00 0.00 0.00 0.00 61.98 63.82 2jhe s VAL 64 Cb 0.00 -4.14 -0.25 0.00 0.00 0.00 0.00 36.38 31.99 2jhe s VAL 64 CO 0.00 0.18 0.55 0.35 0.00 0.00 0.00 175.10 176.18 2jhe n THR 65 N 4.00 0.00 0.00 3.92 -2.24 0.72 -4.91 114.28 115.77 2jhe n THR 65 Ca 0.02 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2jhe n THR 65 Cb 0.51 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 2jhe n THR 65 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jhe n ASP 66 N -1.84 0.00 -3.94 3.42 -0.08 -1.18 -4.99 116.55 107.94 2jhe n ASP 66 Ca -0.01 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.18 2jhe n ASP 66 Cb 0.39 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.75 2jhe n ASP 66 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2jhe s VAL 67 N -2.00 0.10 0.12 5.18 1.01 -1.26 -0.44 120.40 123.11 2jhe s VAL 67 Ca 0.00 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 2jhe s VAL 67 Cb 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 36.01 2jhe s VAL 67 CO 0.00 -0.47 0.28 0.00 0.00 0.00 0.00 175.10 174.91 2jhe s ARG 68 N -1.53 0.98 0.32 2.72 1.70 -0.18 -4.99 118.95 117.97 2jhe s ARG 68 Ca -0.15 -0.92 -0.27 0.00 -0.47 0.00 0.00 55.73 53.92 2jhe s ARG 68 Cb -0.08 0.39 -0.09 0.00 -0.57 0.00 0.00 34.95 34.60 2jhe s ARG 68 CO -0.00 -0.35 1.05 0.95 -1.08 0.00 0.00 175.30 175.86 2jhe s THR 69 N -3.86 3.71 0.08 4.99 -4.23 -1.26 0.74 115.64 115.81 2jhe s THR 69 Ca 0.07 1.54 0.03 0.00 -1.18 0.00 0.00 61.69 62.15 2jhe s THR 69 Cb 0.03 -3.91 -0.03 0.00 1.34 0.00 0.00 72.50 69.93 2jhe s THR 69 CO -0.09 0.23 -0.10 0.54 -0.54 0.00 0.00 174.62 174.67 2jhe s VAL 70 N -1.38 0.81 -0.21 2.29 0.11 -0.10 -4.85 120.40 117.06 2jhe s VAL 70 Ca 0.49 -1.46 0.28 0.00 -2.93 0.00 0.00 61.98 58.36 2jhe s VAL 70 Cb -0.26 -1.13 0.36 0.00 -1.53 0.00 0.00 36.38 33.81 2jhe s VAL 70 CO 0.33 -0.50 1.80 1.55 -3.33 0.00 0.00 175.10 174.95 2jhe h PRO 71 N 3.87 0.00 -3.11 1.54 0.13 -1.98 -3.36 132.00 129.09 2jhe h PRO 71 Ca -0.37 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.70 2jhe h PRO 71 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 2jhe h PRO 71 CO 0.49 0.00 -0.04 1.67 -0.23 0.00 0.00 178.00 179.88 2jhe s TRP 72 N -3.42 -0.29 0.56 1.56 -2.14 -1.26 -4.91 118.94 109.03 2jhe s TRP 72 Ca 0.04 0.16 -0.19 0.00 2.66 0.00 0.00 56.10 58.77 2jhe s TRP 72 Cb 0.08 0.28 -0.05 0.00 -3.10 0.00 0.00 33.47 30.67 2jhe s TRP 72 CO 0.59 -0.65 1.15 -1.64 -2.66 0.00 0.00 176.95 173.74 2jhe s MET 73 N -3.04 3.25 0.31 3.25 -1.94 -1.26 -4.95 119.30 114.93 2jhe s MET 73 Ca -0.02 1.66 0.08 0.00 -1.71 0.00 0.00 55.69 55.69 2jhe s MET 73 Cb 0.00 -1.99 0.88 0.00 2.01 0.00 0.00 34.83 35.74 2jhe s MET 73 CO -0.06 -0.94 1.65 -1.35 -0.01 0.00 0.00 175.02 174.31 2jhe h PRO 74 N 1.10 0.25 0.00 2.03 0.11 -1.99 0.04 132.00 133.55 2jhe h PRO 74 Ca -0.50 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2jhe h PRO 74 Cb 1.27 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2jhe h PRO 74 CO 0.56 0.17 -0.07 0.66 -0.21 0.00 0.00 178.00 179.11 2jhe h SER 75 N 0.26 0.00 0.95 -2.05 4.64 -2.03 -3.22 113.55 112.10 2jhe h SER 75 Ca 0.64 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.96 2jhe h SER 75 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2jhe h SER 75 CO -0.64 0.07 -1.04 -0.62 -0.87 0.00 0.00 176.83 173.73 2jhe n GLU 76 N -3.78 0.60 0.00 4.77 1.02 -0.01 -4.67 120.64 118.57 2jhe n GLU 76 Ca -0.02 0.11 -0.10 0.00 -0.02 0.00 0.00 57.16 57.13 2jhe n GLU 76 Cb 0.17 -1.81 -0.04 0.00 -0.02 0.00 0.00 31.44 29.74 2jhe n GLU 76 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2jhe h ARG 77 N 0.00 -0.11 -0.06 3.49 2.43 -1.54 -1.68 114.38 116.92 2jhe h ARG 77 Ca 0.00 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 2jhe h ARG 77 Cb 0.99 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.58 2jhe h ARG 77 CO 0.00 -0.07 -0.49 0.93 -1.51 0.00 0.00 179.97 178.83 2jhe h GLU 78 N -0.11 0.43 0.00 0.20 5.08 -1.84 -2.66 114.58 115.68 2jhe h GLU 78 Ca 0.08 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 2jhe h GLU 78 Cb 0.22 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 2jhe h GLU 78 CO -0.18 1.03 -0.11 1.12 -1.00 0.00 0.00 179.01 179.87 2jhe h HIS 79 N -0.03 0.00 0.00 4.33 2.07 -1.81 -1.01 115.15 118.70 2jhe h HIS 79 Ca -0.04 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.32 2jhe h HIS 79 Cb 1.16 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.12 2jhe h HIS 79 CO 0.13 0.11 -0.75 -0.07 -3.07 0.00 0.00 177.93 174.27 2jhe h LEU 80 N 0.00 0.00 -0.14 6.12 4.07 -1.24 -1.49 115.31 122.62 2jhe h LEU 80 Ca -0.00 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.82 2jhe h LEU 80 Cb 0.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.14 2jhe h LEU 80 CO 0.01 0.75 -0.46 0.00 -1.08 0.00 0.00 178.44 177.67 2jhe h ALA 81 N 1.25 0.25 -0.10 1.53 0.00 -0.99 -1.53 119.26 119.67 2jhe h ALA 81 Ca -0.01 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.43 2jhe h ALA 81 Cb 1.49 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2jhe h ALA 81 CO 0.10 0.40 0.01 -0.07 0.00 0.00 0.00 179.25 179.68 2jhe h LEU 82 N 0.20 -0.02 -0.44 0.00 4.07 -1.22 -2.52 115.31 115.39 2jhe h LEU 82 Ca -0.02 0.02 0.03 0.00 0.08 0.00 0.00 57.88 57.99 2jhe h LEU 82 Cb 1.09 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.82 2jhe h LEU 82 CO 0.10 0.00 0.24 0.28 -1.08 0.00 0.00 178.44 177.98 2jhe h SER 83 N 0.04 0.36 -0.45 -0.43 0.02 -1.28 -2.53 113.55 109.28 2jhe h SER 83 Ca 0.04 0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.10 2jhe h SER 83 Cb 0.05 -0.05 -0.09 0.00 0.14 0.00 0.00 62.40 62.44 2jhe h SER 83 CO -0.07 0.25 -0.15 0.00 -1.14 0.00 0.00 176.83 175.73 2jhe h ALA 84 N 1.22 0.23 -0.46 3.77 0.00 -1.15 0.22 119.26 123.09 2jhe h ALA 84 Ca 0.19 0.17 -0.14 0.00 0.00 0.00 0.00 54.91 55.13 2jhe h ALA 84 Cb 0.07 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2jhe h ALA 84 CO -0.11 -0.49 -0.26 1.37 0.00 0.00 0.00 179.25 179.76 2jhe h LEU 85 N -0.05 1.02 -1.18 0.00 8.10 -1.27 0.32 115.31 122.26 2jhe h LEU 85 Ca 0.22 -0.41 -0.08 0.00 0.11 0.00 0.00 57.88 57.72 2jhe h LEU 85 Cb 0.38 -0.28 -0.01 0.00 -0.44 0.00 0.00 40.66 40.30 2jhe h LEU 85 CO -0.48 1.21 -0.33 -0.07 -4.11 0.00 0.00 178.44 174.66 2jhe h LEU 86 N 0.84 0.15 -0.52 0.17 3.38 -1.32 -2.78 115.31 115.22 2jhe h LEU 86 Ca 0.10 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2jhe h LEU 86 Cb 0.84 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2jhe h LEU 86 CO 0.07 0.47 -0.46 -0.33 0.09 0.00 0.00 178.44 178.29 2jhe h GLU 87 N 0.13 0.00 -0.10 1.13 5.08 -0.14 -3.28 114.58 117.39 2jhe h GLU 87 Ca 0.02 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 2jhe h GLU 87 Cb 0.65 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2jhe h GLU 87 CO 0.05 0.46 -0.63 0.00 -1.00 0.00 0.00 179.01 177.88 2jhe h ALA 88 N 1.54 0.73 -0.25 3.43 0.00 -0.66 -3.39 119.26 120.66 2jhe h ALA 88 Ca -0.00 -0.56 -0.61 0.00 0.00 0.00 0.00 54.91 53.74 2jhe h ALA 88 Cb 1.14 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2jhe h ALA 88 CO 0.06 0.73 0.84 1.28 0.00 0.00 0.00 179.25 182.16 2jhe n LEU 89 N -3.88 0.68 0.17 0.00 4.77 -1.15 -4.76 117.00 112.83 2jhe n LEU 89 Ca -0.03 0.64 0.12 0.00 -0.03 0.00 0.00 56.01 56.72 2jhe n LEU 89 Cb 0.64 -0.68 0.61 0.00 -2.33 0.00 0.00 43.42 41.66 2jhe n LEU 89 CO 0.46 -0.60 0.87 1.55 -1.33 0.00 0.00 177.39 178.34 2jhe h PRO 90 N 5.83 0.00 -5.62 3.23 0.13 -1.93 -3.44 132.00 130.21 2jhe h PRO 90 Ca -0.16 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.46 2jhe h PRO 90 Cb 1.07 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.06 2jhe h PRO 90 CO 0.80 0.00 -0.69 -1.21 -0.23 0.00 0.00 178.00 176.67 2jhe s GLU 91 N -3.53 1.54 -0.13 0.86 8.01 -1.26 -4.86 118.70 119.33 2jhe s GLU 91 Ca -0.01 -1.76 -0.35 0.00 0.01 0.00 0.00 54.97 52.87 2jhe s GLU 91 Cb 0.08 -1.25 -0.12 0.00 -4.31 0.00 0.00 34.13 28.52 2jhe s GLU 91 CO 0.28 0.10 1.88 -2.30 0.01 0.00 0.00 175.26 175.23 2jhe n PRO 92 N -0.56 1.99 -4.32 0.39 -0.02 -1.25 -4.74 135.00 126.48 2jhe n PRO 92 Ca -0.06 0.73 -0.29 0.00 -2.02 0.00 0.00 63.50 61.86 2jhe n PRO 92 Cb 0.62 -2.56 -0.11 0.00 -0.02 0.00 0.00 33.50 31.43 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 4.15 2.81 -0.28 -1.45 1.01 -1.26 -1.84 120.40 123.54 2jhe s VAL 93 Ca 0.94 -1.61 -0.26 0.00 0.00 0.00 0.00 61.98 61.05 2jhe s VAL 93 Cb -0.75 -2.31 0.17 0.00 0.00 0.00 0.00 36.38 33.49 2jhe s VAL 93 CO 0.54 0.04 1.28 -1.48 0.00 0.00 0.00 175.10 175.48 2jhe s LEU 94 N -2.32 -0.18 0.33 3.92 0.05 -0.92 -1.92 118.68 117.64 2jhe s LEU 94 Ca 0.19 0.30 0.08 0.00 0.05 0.00 0.00 54.13 54.75 2jhe s LEU 94 Cb -0.10 1.36 -0.04 0.00 -2.05 0.00 0.00 46.19 45.37 2jhe s LEU 94 CO 0.11 -0.09 0.17 -0.94 -0.55 0.00 0.00 176.35 175.05 2jhe s SER 95 N -0.25 4.84 0.02 1.48 1.04 0.31 -0.99 113.70 120.15 2jhe s SER 95 Ca 0.06 -0.69 -0.05 0.00 0.48 0.00 0.00 55.95 55.75 2jhe s SER 95 Cb -0.04 -0.81 -0.01 0.00 0.10 0.00 0.00 66.02 65.26 2jhe s SER 95 CO -0.10 -0.29 0.09 0.68 0.98 0.00 0.00 173.24 174.60 2jhe s VAL 96 N -2.38 0.10 0.00 5.02 -7.23 -0.06 -1.26 120.40 114.60 2jhe s VAL 96 Ca 0.38 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.69 2jhe s VAL 96 Cb -0.04 -0.53 0.00 0.00 0.56 0.00 0.00 36.38 36.37 2jhe s VAL 96 CO 0.23 -0.47 0.00 -0.90 -0.31 0.00 0.00 175.10 173.65 2jhe n ASP 97 N 1.28 0.00 0.23 4.85 5.68 -0.04 -2.32 116.55 126.24 2jhe n ASP 97 Ca -0.22 -0.40 0.12 0.00 -0.50 0.00 0.00 54.79 53.80 2jhe n ASP 97 Cb 0.56 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.94 2jhe n ASP 97 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 2jhe h MET 98 N 0.00 0.00 -0.21 0.11 2.86 -1.91 -1.11 114.93 114.67 2jhe h MET 98 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2jhe h MET 98 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2jhe h MET 98 CO 0.00 0.10 0.00 1.63 1.06 0.00 0.00 176.91 179.70 2jhe n LYS 99 N -3.17 1.81 -1.06 1.72 4.01 -1.26 -4.92 118.16 115.29 2jhe n LYS 99 Ca 0.02 -1.23 -0.02 0.00 -0.51 0.00 0.00 58.31 56.57 2jhe n LYS 99 Cb 0.45 -1.39 -0.01 0.00 -0.51 0.00 0.00 35.03 33.57 2jhe n LYS 99 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 2jhe n SER 100 N 0.46 -4.77 -4.74 4.39 7.64 -0.42 -4.85 113.62 111.33 2jhe n SER 100 Ca 0.16 0.05 -0.41 0.00 1.01 0.00 0.00 58.87 59.68 2jhe n SER 100 Cb 0.35 -2.45 -0.03 0.00 -1.01 0.00 0.00 64.21 61.07 2jhe n SER 100 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2jhe s LYS 101 N -1.52 4.33 0.19 1.43 0.00 -1.26 -1.04 119.74 121.88 2jhe s LYS 101 Ca 0.00 2.17 -0.33 0.00 0.00 0.00 0.00 55.97 57.81 2jhe s LYS 101 Cb 0.00 -3.16 -0.13 0.00 0.00 0.00 0.00 37.83 34.55 2jhe s LYS 101 CO 0.00 -0.34 1.69 0.28 0.00 0.00 0.00 175.35 176.98 2jhe n VAL 102 N 2.56 0.01 0.00 1.79 0.31 0.05 -0.86 118.33 122.20 2jhe n VAL 102 Ca 0.07 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 2jhe n VAL 102 Cb 0.42 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 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 3.87 0.00 -4.73 4.52 -0.08 -0.39 -4.66 116.55 115.09 2jhe n ASP 103 Ca 0.16 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 53.03 2jhe n ASP 103 Cb 0.33 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.76 2jhe n ASP 103 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 2jhe s MET 104 N 0.00 4.48 -0.10 -0.67 1.75 -1.26 -4.86 119.30 118.64 2jhe s MET 104 Ca 0.00 1.83 -0.05 0.00 -1.25 0.00 0.00 55.69 56.22 2jhe s MET 104 Cb 0.00 -3.28 0.05 0.00 2.84 0.00 0.00 34.83 34.44 2jhe s MET 104 CO 0.00 -0.14 0.23 0.00 -0.65 0.00 0.00 175.02 174.47 2jhe s ALA 105 N 0.32 -0.51 0.82 4.11 0.00 -1.26 0.11 121.76 125.35 2jhe s ALA 105 Ca 0.55 0.94 -0.12 0.00 0.00 0.00 0.00 51.96 53.33 2jhe s ALA 105 Cb -0.31 -0.67 0.08 0.00 0.00 0.00 0.00 23.12 22.22 2jhe s ALA 105 CO 0.34 -0.27 1.12 0.54 0.00 0.00 0.00 175.76 177.50 2jhe s ASN 106 N 1.44 4.33 0.29 0.00 4.22 -0.81 -4.87 114.94 119.54 2jhe s ASN 106 Ca -0.07 1.08 0.04 0.00 -2.14 0.00 0.00 52.86 51.76 2jhe s ASN 106 Cb -0.11 -1.73 0.71 0.00 1.28 0.00 0.00 41.25 41.40 2jhe s ASN 106 CO -0.08 -2.05 1.73 -0.65 -2.04 0.00 0.00 177.10 174.01 2jhe h PRO 107 N -1.15 0.51 -0.14 3.55 0.11 -1.90 -2.06 132.00 130.93 2jhe h PRO 107 Ca -0.48 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 2jhe h PRO 107 Cb 1.30 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2jhe h PRO 107 CO 0.62 0.34 -0.48 0.00 -0.21 0.00 0.00 178.00 178.27 2jhe h ALA 108 N 1.67 0.92 -0.86 -0.75 0.00 -1.87 0.14 119.26 118.51 2jhe h ALA 108 Ca 0.55 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jhe h ALA 108 Cb 0.97 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2jhe h ALA 108 CO -0.46 0.65 0.55 0.77 0.00 0.00 0.00 179.25 180.76 2jhe h SER 109 N 0.28 1.01 -0.22 0.00 0.02 -1.63 -1.84 113.55 111.17 2jhe h SER 109 Ca 0.02 -0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 2jhe h SER 109 Cb 0.95 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 2jhe h SER 109 CO 0.08 0.75 -0.22 0.00 -1.14 0.00 0.00 176.83 176.30 2jhe h GLN 111 N 0.23 0.59 -0.21 0.00 4.15 -0.60 0.20 115.11 119.47 2jhe h GLN 111 Ca 0.04 -0.36 0.06 0.00 0.77 0.00 0.00 58.65 59.15 2jhe h GLN 111 Cb 0.77 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.43 2jhe h GLN 111 CO 0.05 0.97 -0.18 1.25 -1.93 0.00 0.00 178.83 178.99 2jhe h LEU 112 N 0.27 -0.59 -0.54 -2.39 5.85 -1.49 -1.75 115.31 114.67 2jhe h LEU 112 Ca 0.02 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2jhe h LEU 112 Cb 0.92 0.29 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2jhe h LEU 112 CO 0.08 -0.23 0.00 -0.26 -0.34 0.00 0.00 178.44 177.69 2jhe h PHE 113 N -0.19 0.00 -1.87 1.25 0.04 -1.51 -3.48 116.94 111.18 2jhe h PHE 113 Ca 0.12 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.87 2jhe h PHE 113 Cb 0.38 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.54 2jhe h PHE 113 CO -0.33 0.00 -0.05 0.41 -0.60 0.00 0.00 178.31 177.74 2jhe n GLY 114 N 0.64 0.58 3.54 -1.45 0.00 0.60 -5.07 105.19 104.03 2jhe n GLY 114 Ca 0.03 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.49 0.90 0.78 1.61 -0.21 -0.49 -5.02 119.66 112.73 2jhe s GLN 115 Ca 0.02 0.58 -0.11 0.00 0.02 0.00 0.00 55.36 55.86 2jhe s GLN 115 Cb -0.01 0.43 0.06 0.00 1.00 0.00 0.00 33.01 34.50 2jhe s GLN 115 CO 0.05 -0.20 1.09 -1.59 -2.12 0.00 0.00 175.29 172.51 2jhe s LYS 116 N -0.42 2.21 0.20 2.91 0.00 -1.26 -4.49 119.74 118.88 2jhe s LYS 116 Ca -0.06 1.09 -0.14 0.00 0.00 0.00 0.00 55.97 56.86 2jhe s LYS 116 Cb -0.03 -1.90 0.21 0.00 0.00 0.00 0.00 37.83 36.12 2jhe s LYS 116 CO 0.05 -1.66 1.65 1.25 0.00 0.00 0.00 175.35 176.64 2jhe h LEU 117 N -1.13 -0.46 -1.29 2.77 5.85 -1.96 -2.10 115.31 117.00 2jhe h LEU 117 Ca -0.44 0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.37 2jhe h LEU 117 Cb 1.24 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 2jhe h LEU 117 CO 0.53 -0.17 -0.35 -0.78 -0.34 0.00 0.00 178.44 177.33 2jhe h ASP 118 N 0.03 0.00 0.11 1.25 3.58 -1.99 0.39 116.42 119.78 2jhe h ASP 118 Ca 0.28 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.72 2jhe h ASP 118 Cb 0.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.48 2jhe h ASP 118 CO -0.56 0.35 -0.05 0.03 -2.88 0.00 0.00 179.24 176.13 2jhe h ARG 119 N 0.00 -0.14 -0.85 0.28 -0.00 -1.88 -3.33 114.38 108.47 2jhe h ARG 119 Ca -0.00 0.01 0.20 0.00 -0.50 0.00 0.00 59.98 59.69 2jhe h ARG 119 Cb 0.63 0.03 -0.12 0.00 0.00 0.00 0.00 29.97 30.51 2jhe h ARG 119 CO 0.05 0.36 0.32 1.25 0.00 0.00 0.00 179.97 181.94 2jhe h LEU 120 N -0.78 0.21 -1.73 3.04 5.85 -0.73 0.54 115.31 121.70 2jhe h LEU 120 Ca -0.01 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2jhe h LEU 120 Cb 0.56 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2jhe h LEU 120 CO 0.02 -0.02 0.00 0.03 -0.34 0.00 0.00 178.44 178.13 2jhe h ARG 121 N 0.35 0.00 0.00 1.25 3.08 -0.38 -2.28 114.38 116.40 2jhe h ARG 121 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.57 2jhe h ARG 121 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.00 2jhe h ARG 121 CO -0.53 0.00 0.00 -1.71 -1.07 0.00 0.00 179.97 176.66 2jhe n ASN 122 N -2.48 0.00 -4.87 7.04 2.85 0.19 -4.27 115.26 113.72 2jhe n ASN 122 Ca -0.01 0.10 -0.37 0.00 -0.11 0.00 0.00 54.58 54.19 2jhe n ASN 122 Cb 0.07 -0.36 -0.06 0.00 1.24 0.00 0.00 39.78 40.67 2jhe n ASN 122 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 2jhe s HIS 123 N -2.72 3.62 0.91 1.20 3.76 -0.86 -4.97 115.29 116.24 2jhe s HIS 123 Ca 0.22 0.62 -0.12 0.00 -0.15 0.00 0.00 55.06 55.63 2jhe s HIS 123 Cb 0.18 -2.01 0.14 0.00 1.11 0.00 0.00 32.58 32.00 2jhe s HIS 123 CO 0.45 0.69 1.11 -0.08 -0.85 0.00 0.00 174.74 176.06 2jhe s THR 124 N -1.10 2.34 0.13 1.30 -1.32 -1.26 -0.77 115.64 114.95 2jhe s THR 124 Ca 0.20 0.11 -0.09 0.00 -1.21 0.00 0.00 61.69 60.69 2jhe s THR 124 Cb -0.13 -2.74 -0.14 0.00 -1.51 0.00 0.00 72.50 67.99 2jhe s THR 124 CO 0.09 -0.14 1.35 0.00 -2.21 0.00 0.00 174.62 173.70 2jhe h ALA 125 N -1.55 0.40 0.00 11.08 0.00 -1.41 -2.93 119.26 124.85 2jhe h ALA 125 Ca -0.51 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 53.80 2jhe h ALA 125 Cb 1.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2jhe h ALA 125 CO 0.59 0.70 0.00 0.00 0.00 0.00 0.00 179.25 180.54 2jhe n ALA 126 N -2.58 1.51 0.44 0.00 0.00 -1.26 -1.63 120.51 116.99 2jhe n ALA 126 Ca -0.06 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.61 2jhe n ALA 126 Cb 0.73 -1.36 0.27 0.00 0.00 0.00 0.00 19.45 19.09 2jhe n ALA 126 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2jhe h GLN 127 N 0.00 0.00 0.00 0.00 4.20 -1.91 -3.38 115.11 114.02 2jhe h GLN 127 Ca 0.00 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.46 2jhe h GLN 127 Cb 0.28 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 2jhe h GLN 127 CO 0.00 0.00 -1.95 1.28 -0.67 0.00 0.00 178.83 177.49 2jhe n LEU 128 N -2.60 1.31 -4.05 1.46 4.77 -0.72 -4.90 117.00 112.27 2jhe n LEU 128 Ca 0.04 -0.04 -0.32 0.00 -0.03 0.00 0.00 56.01 55.67 2jhe n LEU 128 Cb 0.48 -0.08 -0.16 0.00 -2.33 0.00 0.00 43.42 41.33 2jhe n LEU 128 CO 0.33 0.53 -0.48 -0.63 -1.33 0.00 0.00 177.39 175.81 2jhe s ILE 129 N -2.33 1.88 0.39 -0.08 1.01 -0.64 -5.01 121.20 116.42 2jhe s ILE 129 Ca -0.14 -1.12 -0.24 0.00 0.00 0.00 0.00 60.65 59.15 2jhe s ILE 129 Cb 0.05 -1.88 -0.09 0.00 0.01 0.00 0.00 42.46 40.55 2jhe s ILE 129 CO 0.49 0.24 1.03 0.54 0.00 0.00 0.00 174.94 177.23 2jhe s ASN 130 N 1.30 6.85 0.00 3.58 4.22 -1.26 -4.42 114.94 125.21 2jhe s ASN 130 Ca -0.01 1.98 0.00 0.00 -2.14 0.00 0.00 52.86 52.69 2jhe s ASN 130 Cb -0.16 -2.58 0.00 0.00 1.28 0.00 0.00 41.25 39.79 2jhe s ASN 130 CO -0.09 -0.42 0.00 0.61 -2.04 0.00 0.00 177.10 175.16 2jhe n GLY 131 N 0.29 0.79 3.13 0.45 0.00 -1.26 -4.66 105.19 103.94 2jhe n GLY 131 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 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 1.11 -1.12 1.61 5.36 -1.26 -5.10 117.98 116.59 2jhe s PHE 132 Ca 0.00 -0.37 -0.08 0.00 -0.96 0.00 0.00 56.93 55.52 2jhe s PHE 132 Cb 0.00 -0.66 0.28 0.00 -0.34 0.00 0.00 43.02 42.30 2jhe s PHE 132 CO 0.00 0.02 1.29 -1.71 -1.46 0.00 0.00 175.22 173.36 2jhe n ASN 133 N 1.81 5.81 0.09 6.13 2.85 -1.26 -4.79 115.26 125.90 2jhe n ASN 133 Ca -0.19 -3.17 -0.13 0.00 -0.11 0.00 0.00 54.58 50.98 2jhe n ASN 133 Cb 0.55 -1.36 -0.06 0.00 1.24 0.00 0.00 39.78 40.15 2jhe n ASN 133 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 2jhe h PHE 134 N 6.22 -1.04 -0.87 1.20 0.04 -1.98 -1.11 116.94 119.40 2jhe h PHE 134 Ca 0.20 0.03 0.04 0.00 2.80 0.00 0.00 57.97 61.04 2jhe h PHE 134 Cb 0.77 0.45 -0.05 0.00 2.20 0.00 0.00 35.95 39.32 2jhe h PHE 134 CO 0.88 -0.47 0.57 -0.07 -0.60 0.00 0.00 178.31 178.62 2jhe h LEU 135 N -0.57 0.91 -0.28 1.54 -0.00 -1.92 0.27 115.31 115.25 2jhe h LEU 135 Ca 0.04 -0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.71 2jhe h LEU 135 Cb 0.63 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.07 2jhe h LEU 135 CO -0.25 0.61 -0.87 0.08 -0.00 0.00 0.00 178.44 178.01 2jhe h ARG 136 N 1.05 0.25 0.50 1.13 -0.00 -1.93 0.20 114.38 115.58 2jhe h ARG 136 Ca 0.36 -0.27 -0.02 0.00 -0.00 0.00 0.00 59.98 60.05 2jhe h ARG 136 Cb 0.09 0.07 0.00 0.00 -0.00 0.00 0.00 29.97 30.14 2jhe h ARG 136 CO -0.12 0.98 -0.24 0.11 -0.00 0.00 0.00 179.97 180.70 2jhe h TRP 137 N 0.14 -0.62 0.00 4.08 -0.00 -0.79 -1.15 115.95 117.61 2jhe h TRP 137 Ca -0.05 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.81 2jhe h TRP 137 Cb 1.49 0.21 -0.00 0.00 -0.00 0.00 0.00 29.16 30.86 2jhe h TRP 137 CO 0.04 -0.37 -0.05 -0.07 -0.00 0.00 0.00 178.44 177.98 2jhe h LEU 138 N -0.71 0.00 -0.73 0.11 3.38 -0.47 0.15 115.31 117.04 2jhe h LEU 138 Ca -0.07 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 2jhe h LEU 138 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2jhe h LEU 138 CO 0.11 0.05 -0.42 -0.33 0.09 0.00 0.00 178.44 177.94 2jhe h GLU 139 N 0.00 0.46 0.00 1.13 5.08 -0.91 -3.24 114.58 117.11 2jhe h GLU 139 Ca -0.00 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2jhe h GLU 139 Cb 0.11 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2jhe h GLU 139 CO 0.01 0.81 0.02 0.45 -1.00 0.00 0.00 179.01 179.29 2jhe n SER 140 N -4.02 0.00 -3.90 1.42 2.88 0.51 -4.84 113.62 105.68 2jhe n SER 140 Ca -0.02 0.20 -0.24 0.00 -1.33 0.00 0.00 58.87 57.48 2jhe n SER 140 Cb 0.52 -0.20 -0.01 0.00 -0.75 0.00 0.00 64.21 63.77 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 -1.18 -3.66 -1.65 -1.46 0.00 -1.22 -4.88 120.64 106.59 2jhe n GLU 141 Ca 0.00 0.45 -0.44 0.00 0.00 0.00 0.00 57.16 57.17 2jhe n GLU 141 Cb 0.02 -4.68 -0.02 0.00 0.00 0.00 0.00 31.44 26.76 2jhe n GLU 141 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 2jhe n PRO 142 N -4.37 1.83 -0.01 3.44 -0.04 -1.26 -5.00 135.00 129.58 2jhe n PRO 142 Ca -0.31 0.65 -0.01 0.00 -0.04 0.00 0.00 63.50 63.79 2jhe n PRO 142 Cb 0.68 -2.19 -0.00 0.00 -0.04 0.00 0.00 33.50 31.95 2jhe n PRO 142 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2jhe h GLN 143 N 2.94 0.00 0.00 0.54 4.20 -1.98 -3.46 115.11 117.36 2jhe h GLN 143 Ca -0.44 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 57.90 2jhe h GLN 143 Cb 1.30 0.00 0.16 0.00 0.30 0.00 0.00 27.48 29.24 2jhe h GLN 143 CO 0.66 0.00 0.33 -0.40 -0.67 0.00 0.00 178.83 178.76 2jhe n ASP 144 N -2.72 -0.20 -4.91 1.46 5.68 -1.26 -4.81 116.55 109.79 2jhe n ASP 144 Ca -0.01 -1.38 -0.27 0.00 -0.50 0.00 0.00 54.79 52.63 2jhe n ASP 144 Cb 0.05 -0.90 0.02 0.00 -1.14 0.00 0.00 41.12 39.15 2jhe n ASP 144 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2jhe s SER 145 N -5.12 5.84 -0.06 -1.12 0.01 -1.26 -4.55 113.70 107.43 2jhe s SER 145 Ca 0.66 0.78 0.04 0.00 1.31 0.00 0.00 55.95 58.74 2jhe s SER 145 Cb -0.02 -1.89 -0.00 0.00 0.21 0.00 0.00 66.02 64.31 2jhe s SER 145 CO 0.47 -0.88 -0.20 -2.28 0.41 0.00 0.00 173.24 170.75 2jhe s HIS 146 N -2.89 2.07 -0.16 2.43 5.04 0.38 -4.93 115.29 117.23 2jhe s HIS 146 Ca 0.52 -0.69 -0.03 0.00 -1.54 0.00 0.00 55.06 53.32 2jhe s HIS 146 Cb -0.10 -1.39 -0.03 0.00 0.04 0.00 0.00 32.58 31.10 2jhe s HIS 146 CO 0.45 -0.25 -0.04 -0.80 -2.34 0.00 0.00 174.74 171.75 2jhe s ASN 147 N 0.13 4.70 0.04 9.88 0.01 -1.26 0.49 114.94 128.93 2jhe s ASN 147 Ca -0.08 -0.16 0.02 0.00 -0.71 0.00 0.00 52.86 51.93 2jhe s ASN 147 Cb -0.14 -1.77 -0.02 0.00 0.41 0.00 0.00 41.25 39.73 2jhe s ASN 147 CO 0.04 0.16 -0.08 -0.70 -1.51 0.00 0.00 177.10 175.01 2jhe s GLU 148 N 0.44 0.55 -0.05 -0.60 2.56 -0.21 -5.01 118.70 116.39 2jhe s GLU 148 Ca -0.04 -0.68 -0.19 0.00 0.00 0.00 0.00 54.97 54.06 2jhe s GLU 148 Cb -0.14 -0.38 -0.05 0.00 2.00 0.00 0.00 34.13 35.56 2jhe s GLU 148 CO 0.03 0.08 0.51 -1.58 -0.56 0.00 0.00 175.26 173.74 2jhe s HIS 149 N -1.15 3.63 0.09 5.30 5.65 -1.26 -0.42 115.29 127.13 2jhe s HIS 149 Ca -0.07 1.04 0.02 0.00 0.25 0.00 0.00 55.06 56.30 2jhe s HIS 149 Cb -0.09 -2.53 -0.04 0.00 -1.18 0.00 0.00 32.58 28.75 2jhe s HIS 149 CO 0.00 0.33 -0.08 0.14 -0.65 0.00 0.00 174.74 174.49 2jhe s VAL 150 N -0.04 0.73 -0.10 0.89 -7.23 -0.44 -4.94 120.40 109.27 2jhe s VAL 150 Ca 0.28 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 2jhe s VAL 150 Cb -0.17 -1.46 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 2jhe s VAL 150 CO 0.14 -0.74 -0.10 0.54 -0.31 0.00 0.00 175.10 174.63 2jhe s VAL 151 N -3.05 3.36 -0.04 1.32 0.11 -1.25 -0.89 120.40 119.95 2jhe s VAL 151 Ca 0.07 -0.58 -0.02 0.00 -2.93 0.00 0.00 61.98 58.53 2jhe s VAL 151 Cb 0.01 -2.39 0.03 0.00 -1.53 0.00 0.00 36.38 32.50 2jhe s VAL 151 CO -0.03 0.55 0.05 -0.63 -3.33 0.00 0.00 175.10 171.71 2jhe s ILE 152 N -0.16 -0.02 -1.41 7.04 1.01 -0.00 -4.58 121.20 123.07 2jhe s ILE 152 Ca 0.01 0.36 -0.00 0.00 0.00 0.00 0.00 60.65 61.01 2jhe s ILE 152 Cb -0.13 -0.21 0.00 0.00 0.01 0.00 0.00 42.46 42.13 2jhe s ILE 152 CO 0.03 0.19 0.41 -0.46 0.00 0.00 0.00 174.94 175.11 2jhe n ASN 153 N 5.17 -0.30 -2.08 3.58 2.04 -1.26 -1.32 115.26 121.09 2jhe n ASN 153 Ca -0.06 -1.01 -0.20 0.00 -0.44 0.00 0.00 54.58 52.87 2jhe n ASN 153 Cb 0.50 -3.03 -0.04 0.00 -2.53 0.00 0.00 39.78 34.69 2jhe n ASN 153 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2jhe n GLY 154 N -1.99 0.44 3.26 4.83 0.00 -1.26 -5.00 105.19 105.46 2jhe n GLY 154 Ca -0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 -4.51 2.97 -0.01 1.61 -0.21 -0.43 -5.09 119.66 113.99 2jhe s GLN 155 Ca 0.00 -0.85 -0.30 0.00 0.02 0.00 0.00 55.36 54.22 2jhe s GLN 155 Cb 0.00 -2.32 -0.05 0.00 1.00 0.00 0.00 33.01 31.64 2jhe s GLN 155 CO 0.00 0.24 1.30 -0.80 -2.12 0.00 0.00 175.29 173.91 2jhe s ASN 156 N 0.20 6.95 0.10 5.90 0.01 -1.26 -0.82 114.94 126.02 2jhe s ASN 156 Ca -0.14 2.00 0.03 0.00 -0.71 0.00 0.00 52.86 54.04 2jhe s ASN 156 Cb -0.17 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 38.89 2jhe s ASN 156 CO 0.07 -0.63 -0.08 -0.36 -1.51 0.00 0.00 177.10 174.59 2jhe s PHE 157 N 2.08 0.99 -0.20 2.20 0.40 -0.07 -1.88 117.98 121.51 2jhe s PHE 157 Ca 0.60 -0.80 -0.08 0.00 -0.60 0.00 0.00 56.93 56.05 2jhe s PHE 157 Cb -0.29 -0.55 -0.04 0.00 0.51 0.00 0.00 43.02 42.65 2jhe s PHE 157 CO 0.25 -0.06 0.09 -0.51 0.70 0.00 0.00 175.22 175.69 2jhe s LEU 158 N -2.84 3.88 -0.16 -0.37 1.02 -0.41 -1.33 118.68 118.47 2jhe s LEU 158 Ca 0.10 0.08 -0.04 0.00 0.02 0.00 0.00 54.13 54.29 2jhe s LEU 158 Cb 0.02 -2.00 -0.03 0.00 0.02 0.00 0.00 46.19 44.20 2jhe s LEU 158 CO -0.02 0.15 -0.03 -0.32 0.02 0.00 0.00 176.35 176.15 2jhe s MET 159 N 0.55 3.68 -0.06 1.70 -2.45 0.44 -0.38 119.30 122.78 2jhe s MET 159 Ca 0.04 -0.51 0.04 0.00 -1.25 0.00 0.00 55.69 54.02 2jhe s MET 159 Cb -0.13 -2.95 -0.02 0.00 1.25 0.00 0.00 34.83 32.98 2jhe s MET 159 CO 0.01 0.21 -0.19 -2.00 1.05 0.00 0.00 175.02 174.10 2jhe s GLU 160 N 0.46 2.59 -0.10 4.11 2.12 0.56 -1.04 118.70 127.39 2jhe s GLU 160 Ca -0.03 -0.78 0.01 0.00 0.36 0.00 0.00 54.97 54.52 2jhe s GLU 160 Cb -0.14 -2.31 0.02 0.00 0.26 0.00 0.00 34.13 31.96 2jhe s GLU 160 CO 0.03 0.49 -0.10 -1.50 -0.54 0.00 0.00 175.26 173.64 2jhe s ILE 161 N -0.40 1.15 -0.07 -3.70 2.07 0.18 -1.80 121.20 118.63 2jhe s ILE 161 Ca 0.04 -0.40 0.03 0.00 -1.41 0.00 0.00 60.65 58.91 2jhe s ILE 161 Cb -0.12 -1.11 0.01 0.00 0.13 0.00 0.00 42.46 41.36 2jhe s ILE 161 CO 0.02 0.38 -0.15 -0.89 -1.91 0.00 0.00 174.94 172.39 2jhe s THR 162 N 1.36 1.35 0.67 4.00 2.01 -0.21 -0.47 115.64 124.36 2jhe s THR 162 Ca -0.01 -0.61 -0.17 0.00 0.31 0.00 0.00 61.69 61.21 2jhe s THR 162 Cb -0.14 -1.21 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 2jhe s THR 162 CO -0.05 0.40 1.07 -0.81 -0.69 0.00 0.00 174.62 174.55 2jhe n PRO 163 N 3.68 0.78 -3.97 4.92 -0.04 -1.26 -1.31 135.00 137.80 2jhe n PRO 163 Ca -0.22 0.32 -0.29 0.00 -0.04 0.00 0.00 63.50 63.28 2jhe n PRO 163 Cb 0.52 -2.31 -0.17 0.00 -0.04 0.00 0.00 33.50 31.51 2jhe n PRO 163 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jhe s VAL 164 N -1.61 1.35 -0.07 0.52 1.01 0.30 -4.77 120.40 117.13 2jhe s VAL 164 Ca 0.77 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 62.20 2jhe s VAL 164 Cb -0.37 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 34.72 2jhe s VAL 164 CO 0.46 0.41 0.09 0.00 0.00 0.00 0.00 175.10 176.06 2jhe n TYR 165 N 4.84 -2.27 0.00 5.22 4.19 -1.26 -0.47 117.16 127.42 2jhe n TYR 165 Ca -0.15 1.33 0.00 0.00 3.31 0.00 0.00 57.90 62.39 2jhe n TYR 165 Cb 0.50 -2.43 0.00 0.00 0.49 0.00 0.00 39.34 37.90 2jhe n TYR 165 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 2jhe n LEU 166 N 2.09 0.00 -3.59 2.98 4.32 -1.26 -0.18 117.00 121.35 2jhe n LEU 166 Ca -0.16 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.55 2jhe n LEU 166 Cb 0.25 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 41.93 2jhe n LEU 166 CO 0.15 0.00 -0.25 0.00 -1.22 0.00 0.00 177.39 176.06 2jhe s GLN 167 N 0.00 1.18 0.00 3.23 0.00 -1.26 -4.89 119.66 117.92 2jhe s GLN 167 Ca 0.00 -2.07 0.26 0.00 -0.00 0.00 0.00 55.36 53.55 2jhe s GLN 167 Cb 0.00 -2.00 0.70 0.00 0.00 0.00 0.00 33.01 31.71 2jhe s GLN 167 CO 0.00 -1.25 1.54 -0.25 0.00 0.00 0.00 175.29 175.32 2jhe n ASP 168 N 3.24 1.52 0.00 12.60 10.43 0.74 -4.96 116.55 140.12 2jhe n ASP 168 Ca 0.17 -1.29 0.00 0.00 2.57 0.00 0.00 54.79 56.23 2jhe n ASP 168 Cb 0.39 0.12 0.00 0.00 1.84 0.00 0.00 41.12 43.47 2jhe n ASP 168 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 2jhe n GLU 169 N -0.08 0.00 -3.50 -1.24 0.28 -1.15 -4.13 120.64 110.82 2jhe n GLU 169 Ca 0.14 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 57.01 2jhe n GLU 169 Cb 0.39 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.22 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 -0.51 0.14 -1.84 -0.87 -0.98 -0.54 114.94 106.34 2jhe s ASN 170 Ca 0.00 0.13 0.09 0.00 -1.57 0.00 0.00 52.86 51.51 2jhe s ASN 170 Cb 0.00 0.55 -0.04 0.00 -0.02 0.00 0.00 41.25 41.74 2jhe s ASN 170 CO 0.00 -0.83 -0.20 1.51 -2.57 0.00 0.00 177.10 175.01 2jhe s ASP 171 N -2.29 2.68 -0.04 -1.22 -4.77 -0.43 -0.88 116.67 109.72 2jhe s ASP 171 Ca -0.02 -0.80 -0.09 0.00 -3.30 0.00 0.00 52.55 48.34 2jhe s ASP 171 Cb -0.00 -0.16 0.02 0.00 -1.09 0.00 0.00 42.92 41.68 2jhe s ASP 171 CO -0.06 0.01 0.21 0.00 0.70 0.00 0.00 175.17 176.03 2jhe s GLN 172 N -2.47 0.43 0.06 2.11 0.00 -0.16 -1.04 119.66 118.59 2jhe s GLN 172 Ca 0.13 -0.04 0.03 0.00 -0.00 0.00 0.00 55.36 55.48 2jhe s GLN 172 Cb -0.07 0.19 -0.04 0.00 0.00 0.00 0.00 33.01 33.09 2jhe s GLN 172 CO 0.06 -0.09 0.04 -1.01 0.00 0.00 0.00 175.29 174.29 2jhe s HIS 173 N -0.70 3.12 -0.08 9.60 3.76 -0.74 -2.17 115.29 128.08 2jhe s HIS 173 Ca -0.08 0.06 0.05 0.00 -0.15 0.00 0.00 55.06 54.94 2jhe s HIS 173 Cb -0.04 -1.61 -0.01 0.00 1.11 0.00 0.00 32.58 32.03 2jhe s HIS 173 CO 0.02 0.50 -0.24 0.08 -0.85 0.00 0.00 174.74 174.24 2jhe s VAL 174 N -1.31 2.05 -0.11 -0.90 1.01 -0.77 -0.32 120.40 120.05 2jhe s VAL 174 Ca 0.26 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.21 2jhe s VAL 174 Cb -0.12 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.53 2jhe s VAL 174 CO 0.19 0.56 -0.13 -0.76 0.00 0.00 0.00 175.10 174.96 2jhe s LEU 175 N 0.08 1.59 -0.36 3.92 2.01 0.49 -3.86 118.68 122.55 2jhe s LEU 175 Ca -0.11 -0.40 -0.27 0.00 0.01 0.00 0.00 54.13 53.36 2jhe s LEU 175 Cb -0.16 -1.03 -0.05 0.00 0.01 0.00 0.00 46.19 44.97 2jhe s LEU 175 CO 0.06 -0.03 2.18 -0.89 1.01 0.00 0.00 176.35 178.68 2jhe s THR 176 N 1.22 3.12 0.35 5.49 2.01 -1.26 -1.29 115.64 125.27 2jhe s THR 176 Ca -0.02 0.10 0.23 0.00 0.31 0.00 0.00 61.69 62.31 2jhe s THR 176 Cb -0.14 -3.20 0.37 0.00 0.01 0.00 0.00 72.50 69.54 2jhe s THR 176 CO -0.04 -0.16 1.34 0.00 -0.69 0.00 0.00 174.62 175.07 2jhe n ALA 178 N 12.88 1.03 -0.09 7.40 0.00 -0.79 -0.90 120.51 140.05 2jhe n ALA 178 Ca 0.30 0.80 -0.13 0.00 0.00 0.00 0.00 53.44 54.41 2jhe n ALA 178 Cb 0.49 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 19.03 2jhe n ALA 178 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jhe h VAL 179 N 0.00 1.28 -0.40 0.00 2.07 -1.89 -2.99 116.25 114.31 2jhe h VAL 179 Ca 0.74 -1.65 -0.15 0.00 0.82 0.00 0.00 66.70 66.46 2jhe h VAL 179 Cb 2.18 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 33.46 2jhe h VAL 179 CO -0.52 0.54 -0.34 0.58 0.02 0.00 0.00 177.57 177.85 2jhe h VAL 180 N 0.70 1.27 -0.66 2.57 2.07 -1.45 -2.53 116.25 118.22 2jhe h VAL 180 Ca 0.04 -1.51 0.08 0.00 0.82 0.00 0.00 66.70 66.12 2jhe h VAL 180 Cb 1.06 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 32.09 2jhe h VAL 180 CO 0.11 0.51 0.33 0.24 0.02 0.00 0.00 177.57 178.78 2jhe h MET 181 N 0.77 0.58 -0.11 1.57 0.00 -1.04 -0.67 114.93 116.03 2jhe h MET 181 Ca 0.07 -0.03 -0.17 0.00 0.00 0.00 0.00 59.70 59.57 2jhe h MET 181 Cb 0.92 -0.13 0.01 0.00 0.00 0.00 0.00 31.60 32.40 2jhe h MET 181 CO 0.09 0.38 -0.60 -0.07 0.00 0.00 0.00 176.91 176.71 2jhe h LEU 182 N 0.60 0.72 -1.02 1.22 4.07 -1.42 0.32 115.31 119.80 2jhe h LEU 182 Ca 0.31 -0.65 0.09 0.00 0.08 0.00 0.00 57.88 57.72 2jhe h LEU 182 Cb 0.28 -0.21 -0.08 0.00 1.08 0.00 0.00 40.66 41.73 2jhe h LEU 182 CO -0.23 1.25 0.64 0.03 -1.08 0.00 0.00 178.44 179.05 2jhe h ARG 183 N 0.24 1.06 0.05 1.13 3.08 -1.39 -2.62 114.38 115.92 2jhe h ARG 183 Ca -0.04 -0.06 -0.29 0.00 0.07 0.00 0.00 59.98 59.65 2jhe h ARG 183 Cb 1.25 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 31.03 2jhe h ARG 183 CO 0.12 0.70 -1.61 0.77 -1.07 0.00 0.00 179.97 178.89 2jhe h SER 184 N 1.09 0.15 0.74 7.04 0.02 -0.90 -2.96 113.55 118.73 2jhe h SER 184 Ca 0.46 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 2jhe h SER 184 Cb 0.32 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 2jhe h SER 184 CO -0.21 1.23 -0.04 0.71 -1.14 0.00 0.00 176.83 177.38 2jhe h THR 185 N 0.03 0.13 0.00 -2.27 1.35 -0.38 -1.79 112.91 109.98 2jhe h THR 185 Ca -0.26 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 2jhe h THR 185 Cb 1.98 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 2jhe h THR 185 CO 0.11 0.04 0.00 -0.38 -0.25 0.00 0.00 175.52 175.04 2jhe n ILE 186 N -3.19 0.56 -0.24 6.82 5.41 -0.99 -4.24 119.36 123.49 2jhe n ILE 186 Ca -0.00 -0.24 -0.01 0.00 1.00 0.00 0.00 62.75 63.50 2jhe n ILE 186 Cb 0.27 -0.61 -0.02 0.00 -0.71 0.00 0.00 39.64 38.57 2jhe n ILE 186 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2jhe n ARG 187 N -2.20 0.48 0.00 0.38 0.00 -0.67 -1.81 116.66 112.83 2jhe n ARG 187 Ca 0.06 -0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 2jhe n ARG 187 Cb 0.41 -1.42 0.00 0.00 -0.00 0.00 0.00 32.46 31.45 2jhe n ARG 187 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 2jhe n MET 188 N 2.11 0.00 0.00 2.89 2.81 -1.26 -5.09 117.12 118.58 2jhe n MET 188 Ca 0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 2jhe n MET 188 Cb 0.23 -0.52 0.00 0.00 -0.71 0.00 0.00 33.22 32.22 2jhe n MET 188 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jhe n GLY 189 N 1.81 0.00 0.00 3.03 0.00 -0.75 -5.24 105.19 104.04 2jhe n GLY 189 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jhe n GLY 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86