#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jhb n SER 2 N 0.00 1.11 -3.44 1.61 2.88 -1.26 -4.97 113.62 109.55 2jhb n SER 2 Ca 0.00 -2.96 -0.26 0.00 -1.33 0.00 0.00 58.87 54.31 2jhb n SER 2 Cb 0.00 -0.63 -0.09 0.00 -0.75 0.00 0.00 64.21 62.74 2jhb n SER 2 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2jhb n MET 3 N 0.80 1.35 -1.43 -1.46 0.00 -1.26 -4.92 117.12 110.18 2jhb n MET 3 Ca 0.24 -3.88 -0.29 0.00 0.00 0.00 0.00 57.70 53.77 2jhb n MET 3 Cb 0.56 -1.83 0.15 0.00 0.00 0.00 0.00 33.22 32.10 2jhb n MET 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2jhb s PRO 4 N -1.35 0.83 0.00 0.03 0.04 -1.26 -3.54 135.00 129.75 2jhb s PRO 4 Ca 0.34 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.69 2jhb s PRO 4 Cb 0.09 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.83 2jhb s PRO 4 CO -0.11 -2.41 0.00 0.54 0.04 0.00 0.00 177.00 175.05 2jhb n ARG 5 N -3.92 0.00 -3.89 4.56 5.12 -1.26 -4.61 116.66 112.66 2jhb n ARG 5 Ca 0.07 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.87 2jhb n ARG 5 Cb 0.59 -1.29 -0.12 0.00 -1.16 0.00 0.00 32.46 30.47 2jhb n ARG 5 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2jhb s VAL 6 N -2.35 0.04 0.48 1.55 -7.23 -1.23 -4.34 120.40 107.33 2jhb s VAL 6 Ca 0.00 -0.35 0.06 0.00 -1.81 0.00 0.00 61.98 59.88 2jhb s VAL 6 Cb 0.00 -0.20 0.03 0.00 0.56 0.00 0.00 36.38 36.78 2jhb s VAL 6 CO 0.00 -0.19 0.67 0.68 -0.31 0.00 0.00 175.10 175.94 2jhb s VAL 7 N -0.59 2.76 0.00 1.32 -7.23 0.15 -4.78 120.40 112.03 2jhb s VAL 7 Ca -0.07 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 2jhb s VAL 7 Cb -0.04 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 34.05 2jhb s VAL 7 CO 0.00 0.00 0.31 -0.81 -0.31 0.00 0.00 175.10 174.29 2jhb n PRO 8 N -2.06 0.00 -1.39 4.82 -0.04 -1.26 -4.28 135.00 130.79 2jhb n PRO 8 Ca 0.10 0.45 -0.39 0.00 -0.04 0.00 0.00 63.50 63.62 2jhb n PRO 8 Cb 0.60 -1.11 -0.02 0.00 -0.04 0.00 0.00 33.50 32.92 2jhb n PRO 8 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2jhb n ASP 9 N -1.85 5.89 -0.21 3.54 9.92 -1.26 -4.72 116.55 127.85 2jhb n ASP 9 Ca 0.00 -2.65 -0.01 0.00 -0.53 0.00 0.00 54.79 51.60 2jhb n ASP 9 Cb 0.00 -1.50 0.11 0.00 -0.64 0.00 0.00 41.12 39.08 2jhb n ASP 9 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 2jhb h GLN 10 N 5.80 0.51 -0.39 -1.24 4.20 -1.89 0.12 115.11 122.21 2jhb h GLN 10 Ca 0.68 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 59.27 2jhb h GLN 10 Cb 0.44 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 2jhb h GLN 10 CO 1.81 0.34 -0.10 -0.09 -0.67 0.00 0.00 178.83 180.11 2jhb h ARG 11 N 0.53 0.69 0.02 1.46 9.65 -1.96 0.13 114.38 124.89 2jhb h ARG 11 Ca 0.31 -0.22 -0.22 0.00 -1.10 0.00 0.00 59.98 58.74 2jhb h ARG 11 Cb 0.31 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.82 2jhb h ARG 11 CO -0.25 0.78 -0.96 0.77 2.80 0.00 0.00 179.97 183.11 2jhb h SER 12 N 0.63 0.45 0.46 -3.80 0.02 -1.81 -3.21 113.55 106.29 2jhb h SER 12 Ca 0.11 -0.38 -0.11 0.00 -0.84 0.00 0.00 61.79 60.57 2jhb h SER 12 Cb 0.55 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2jhb h SER 12 CO 0.03 1.19 -0.50 0.50 -1.14 0.00 0.00 176.83 176.91 2jhb h LYS 13 N 0.18 0.05 -0.68 3.45 1.63 -0.33 -0.23 116.57 120.65 2jhb h LYS 13 Ca -0.08 -0.03 0.12 0.00 -0.85 0.00 0.00 60.65 59.82 2jhb h LYS 13 Cb 1.61 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 33.15 2jhb h LYS 13 CO 0.16 0.55 0.23 0.35 -3.45 0.00 0.00 179.45 177.29 2jhb h PHE 14 N 0.04 0.39 -0.12 1.91 3.57 -0.78 -0.52 116.94 121.43 2jhb h PHE 14 Ca -0.00 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.35 2jhb h PHE 14 Cb 0.90 -0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.58 2jhb h PHE 14 CO 0.00 0.04 -0.65 1.05 -2.23 0.00 0.00 178.31 176.52 2jhb h GLU 15 N 0.38 0.66 0.14 1.11 -0.00 -1.46 -3.40 114.58 112.01 2jhb h GLU 15 Ca 0.36 -0.55 -0.22 0.00 -0.00 0.00 0.00 59.36 58.96 2jhb h GLU 15 Cb 0.52 0.12 0.02 0.00 -0.00 0.00 0.00 28.75 29.41 2jhb h GLU 15 CO -0.38 1.16 -0.99 -0.91 -0.00 0.00 0.00 179.01 177.88 2jhb h ASN 16 N 0.33 0.47 -1.39 3.06 2.35 -0.29 -3.44 115.58 116.66 2jhb h ASN 16 Ca -0.05 -0.93 -0.74 0.00 -0.55 0.00 0.00 56.30 54.04 2jhb h ASN 16 Cb 1.29 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 39.52 2jhb h ASN 16 CO 0.14 1.46 0.99 -0.62 -1.65 0.00 0.00 177.43 177.75 2jhb n GLU 17 N -4.06 1.06 0.30 0.81 -0.58 -0.27 -4.83 120.64 113.07 2jhb n GLU 17 Ca -0.17 0.38 0.17 0.00 -0.42 0.00 0.00 57.16 57.12 2jhb n GLU 17 Cb 0.86 -2.11 0.93 0.00 -0.57 0.00 0.00 31.44 30.54 2jhb n GLU 17 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2jhb h GLU 18 N 7.98 0.00 -0.03 3.49 5.08 -1.91 -0.11 114.58 129.08 2jhb h GLU 18 Ca -0.42 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2jhb h GLU 18 Cb 1.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 2jhb h GLU 18 CO 0.98 0.04 0.01 0.35 -1.00 0.00 0.00 179.01 179.39 2jhb h PHE 19 N 0.00 0.04 -0.25 4.33 3.04 -1.99 -2.43 116.94 119.69 2jhb h PHE 19 Ca -0.00 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.86 2jhb h PHE 19 Cb 0.19 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.68 2jhb h PHE 19 CO 0.00 0.17 -0.21 0.74 -2.02 0.00 0.00 178.31 176.98 2jhb h PHE 20 N -0.09 0.51 -0.18 0.41 0.04 -1.42 -2.62 116.94 113.60 2jhb h PHE 20 Ca 0.01 -0.10 0.02 0.00 2.80 0.00 0.00 57.97 60.70 2jhb h PHE 20 Cb 0.14 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 2jhb h PHE 20 CO -0.03 0.65 0.12 0.00 -0.60 0.00 0.00 178.31 178.45 2jhb h ARG 21 N 0.42 0.16 -0.30 1.51 2.47 -1.05 0.30 114.38 117.89 2jhb h ARG 21 Ca 0.07 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 2jhb h ARG 21 Cb 0.61 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.88 2jhb h ARG 21 CO 0.04 0.11 0.06 0.87 0.56 0.00 0.00 179.97 181.61 2jhb h LYS 22 N 0.16 0.48 0.00 0.04 1.57 -1.04 -3.13 116.57 114.65 2jhb h LYS 22 Ca 0.07 -0.12 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 2jhb h LYS 22 Cb 0.10 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2jhb h LYS 22 CO -0.01 0.57 -0.76 -0.07 -0.57 0.00 0.00 179.45 178.61 2jhb h LEU 23 N 0.31 0.00 0.00 2.94 3.38 -1.21 -3.43 115.31 117.31 2jhb h LEU 23 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jhb h LEU 23 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2jhb h LEU 23 CO 0.00 0.76 0.00 -0.24 0.09 0.00 0.00 178.44 179.05 2jhb n SER 24 N -3.51 -3.86 -2.66 -0.43 2.88 0.93 -4.51 113.62 102.47 2jhb n SER 24 Ca -0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 2jhb n SER 24 Cb 0.77 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.27 2jhb n SER 24 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jhb n ARG 25 N -1.02 -1.25 -1.06 -1.46 1.74 -1.26 -1.82 116.66 110.53 2jhb n ARG 25 Ca 0.00 -0.33 -0.50 0.00 -0.77 0.00 0.00 57.85 56.24 2jhb n ARG 25 Cb 0.00 -0.30 -0.10 0.00 -1.02 0.00 0.00 32.46 31.04 2jhb n ARG 25 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2jhb n GLU 26 N -2.05 0.00 -4.32 5.56 0.00 -1.26 -4.66 120.64 113.92 2jhb n GLU 26 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 57.16 57.02 2jhb n GLU 26 Cb 0.11 -1.26 -0.10 0.00 0.00 0.00 0.00 31.44 30.19 2jhb n GLU 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jhb s GLU 28 N -3.98 4.39 0.08 0.00 2.56 -1.26 -0.69 118.70 119.79 2jhb s GLU 28 Ca 0.37 1.28 -0.01 0.00 0.00 0.00 0.00 54.97 56.62 2jhb s GLU 28 Cb 0.07 -2.54 -0.04 0.00 2.00 0.00 0.00 34.13 33.62 2jhb s GLU 28 CO 0.15 0.10 -0.01 0.96 -0.56 0.00 0.00 175.26 175.89 2jhb s ILE 29 N -1.82 0.26 -0.09 -3.70 -4.36 0.24 -1.03 121.20 110.70 2jhb s ILE 29 Ca 0.56 -1.85 -0.05 0.00 -0.26 0.00 0.00 60.65 59.05 2jhb s ILE 29 Cb -0.16 -1.68 0.04 0.00 1.25 0.00 0.00 42.46 41.92 2jhb s ILE 29 CO 0.20 -0.85 0.21 -0.75 0.24 0.00 0.00 174.94 174.00 2jhb s LYS 30 N -3.94 0.17 0.27 0.37 2.20 0.38 -1.61 119.74 117.58 2jhb s LYS 30 Ca 0.12 0.46 -0.29 0.00 -0.36 0.00 0.00 55.97 55.90 2jhb s LYS 30 Cb 0.07 -0.12 -0.10 0.00 -1.51 0.00 0.00 37.83 36.18 2jhb s LYS 30 CO -0.06 -0.15 1.26 -0.47 -0.36 0.00 0.00 175.35 175.56 2jhb s TYR 31 N 1.15 3.25 -0.49 4.03 6.14 0.56 -0.09 117.35 131.90 2jhb s TYR 31 Ca -0.09 1.41 0.06 0.00 0.64 0.00 0.00 57.07 59.09 2jhb s TYR 31 Cb -0.10 -3.56 0.22 0.00 0.42 0.00 0.00 41.96 38.94 2jhb s TYR 31 CO -0.07 -1.57 0.52 0.25 0.64 0.00 0.00 175.55 175.32 2jhb n THR 32 N 1.57 0.09 -1.93 4.34 -2.24 -0.53 -4.83 114.28 110.74 2jhb n THR 32 Ca 0.02 -4.22 0.00 0.00 -2.27 0.00 0.00 64.05 57.58 2jhb n THR 32 Cb 0.43 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 66.72 2jhb n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jhb n GLY 33 N 1.72 4.70 0.23 3.38 0.00 -1.25 -4.57 105.19 109.41 2jhb n GLY 33 Ca 0.25 -1.00 0.15 0.00 0.00 0.00 0.00 46.02 45.42 2jhb n GLY 33 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2jhb h PHE 34 N 0.00 0.00 -0.09 1.61 -5.15 -1.96 -2.52 116.94 108.82 2jhb h PHE 34 Ca 0.00 0.00 0.03 0.00 -0.20 0.00 0.00 57.97 57.80 2jhb h PHE 34 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.17 2jhb h PHE 34 CO 0.00 0.00 0.35 0.07 -2.00 0.00 0.00 178.31 176.73 2jhb h ARG 35 N 0.00 0.00 -0.00 6.09 -0.00 -1.92 -2.92 114.38 115.62 2jhb h ARG 35 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2jhb h ARG 35 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.98 2jhb h ARG 35 CO 0.00 0.00 -0.08 -3.47 -0.00 0.00 0.00 179.97 176.42 2jhb n ASP 36 N -3.10 0.48 -4.71 0.08 -0.08 -0.95 -4.64 116.55 103.63 2jhb n ASP 36 Ca 0.00 -0.69 -0.30 0.00 -1.51 0.00 0.00 54.79 52.29 2jhb n ASP 36 Cb 0.42 -0.07 0.14 0.00 2.34 0.00 0.00 41.12 43.96 2jhb n ASP 36 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2jhb s ARG 37 N -2.38 1.22 0.20 -0.67 3.00 -1.11 -4.93 118.95 114.29 2jhb s ARG 37 Ca 0.32 0.89 -0.33 0.00 0.00 0.00 0.00 55.73 56.61 2jhb s ARG 37 Cb 0.20 -1.80 -0.13 0.00 0.00 0.00 0.00 34.95 33.22 2jhb s ARG 37 CO 0.45 -2.28 1.60 -0.35 0.00 0.00 0.00 175.30 174.72 2jhb n PRO 38 N -3.92 2.36 -0.76 3.54 -0.04 -1.26 -4.91 135.00 130.01 2jhb n PRO 38 Ca 0.07 0.85 -0.29 0.00 -0.04 0.00 0.00 63.50 64.09 2jhb n PRO 38 Cb 0.55 -2.63 0.21 0.00 -0.04 0.00 0.00 33.50 31.59 2jhb n PRO 38 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2jhb s HIS 39 N 0.78 1.65 0.00 0.54 2.46 -1.26 -4.37 115.29 115.10 2jhb s HIS 39 Ca 0.75 1.30 0.00 0.00 0.47 0.00 0.00 55.06 57.58 2jhb s HIS 39 Cb -0.61 -3.17 0.00 0.00 -0.13 0.00 0.00 32.58 28.67 2jhb s HIS 39 CO 0.39 -3.30 0.00 -1.91 -2.47 0.00 0.00 174.74 167.44 2jhb n GLU 40 N -4.53 0.00 0.08 2.88 2.13 -1.26 -4.69 120.64 115.25 2jhb n GLU 40 Ca 0.06 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.76 2jhb n GLU 40 Cb 0.54 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.20 2jhb n GLU 40 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2jhb h GLU 41 N 0.00 0.27 -0.31 5.31 4.57 -1.98 -2.95 114.58 119.50 2jhb h GLU 41 Ca 0.00 -0.32 0.09 0.00 -1.18 0.00 0.00 59.36 57.95 2jhb h GLU 41 Cb 0.00 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 2jhb h GLU 41 CO 0.00 1.05 0.28 0.00 -1.18 0.00 0.00 179.01 179.16 2jhb h ARG 42 N 0.14 0.00 -0.29 1.92 2.47 -1.84 -1.82 114.38 114.96 2jhb h ARG 42 Ca -0.07 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.60 2jhb h ARG 42 Cb 1.62 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.93 2jhb h ARG 42 CO 0.16 0.00 -0.02 0.37 0.56 0.00 0.00 179.97 181.04 2jhb h GLN 43 N 0.00 0.51 -0.02 0.04 4.15 -1.86 0.20 115.11 118.14 2jhb h GLN 43 Ca 0.15 -0.17 -0.10 0.00 0.77 0.00 0.00 58.65 59.29 2jhb h GLN 43 Cb 0.70 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.35 2jhb h GLN 43 CO -0.00 0.68 -0.38 1.15 -1.93 0.00 0.00 178.83 178.35 2jhb h THR 44 N 0.30 1.47 -0.23 2.39 2.02 -1.63 -3.20 112.91 114.03 2jhb h THR 44 Ca 0.08 -1.92 0.05 0.00 0.77 0.00 0.00 66.41 65.39 2jhb h THR 44 Cb 0.46 2.58 -0.01 0.00 -1.74 0.00 0.00 68.15 69.44 2jhb h THR 44 CO 0.02 0.54 0.16 -0.09 0.37 0.00 0.00 175.52 176.52 2jhb h ARG 45 N -0.28 0.07 0.43 6.66 9.65 -1.32 -1.62 114.38 127.98 2jhb h ARG 45 Ca -0.04 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 2jhb h ARG 45 Cb 1.09 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.64 2jhb h ARG 45 CO 0.08 0.05 -0.32 0.35 2.80 0.00 0.00 179.97 182.93 2jhb h PHE 46 N 0.08 -0.85 -0.10 2.20 3.57 -0.58 0.35 116.94 121.60 2jhb h PHE 46 Ca 0.10 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 2jhb h PHE 46 Cb 0.32 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 2jhb h PHE 46 CO -0.00 -0.47 -0.09 1.96 -2.23 0.00 0.00 178.31 177.48 2jhb h GLN 47 N -0.74 0.15 0.08 1.11 4.20 -1.39 -0.51 115.11 118.01 2jhb h GLN 47 Ca -0.04 -0.03 -0.27 0.00 0.06 0.00 0.00 58.65 58.38 2jhb h GLN 47 Cb 0.63 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.40 2jhb h GLN 47 CO 0.01 0.25 -1.13 -0.91 -0.67 0.00 0.00 178.83 176.37 2jhb h ASN 48 N 0.15 0.66 -0.01 1.46 2.35 -0.64 -1.98 115.58 117.57 2jhb h ASN 48 Ca 0.03 -0.59 -0.16 0.00 -0.55 0.00 0.00 56.30 55.03 2jhb h ASN 48 Cb 0.25 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2jhb h ASN 48 CO 0.01 1.42 -0.52 0.00 -1.65 0.00 0.00 177.43 176.69 2jhb h ALA 49 N 0.52 0.71 -0.66 -0.83 0.00 -0.07 0.75 119.26 119.67 2jhb h ALA 49 Ca -0.14 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.29 2jhb h ALA 49 Cb 1.80 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 2jhb h ALA 49 CO 0.20 0.68 0.44 0.00 0.00 0.00 0.00 179.25 180.57 2jhb h ARG 51 N 0.86 0.31 -0.61 0.00 2.43 -0.76 -3.26 114.38 113.36 2jhb h ARG 51 Ca 0.25 -0.48 0.11 0.00 -0.81 0.00 0.00 59.98 59.06 2jhb h ARG 51 Cb -0.04 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 2jhb h ARG 51 CO -0.06 1.20 0.41 0.22 -1.51 0.00 0.00 179.97 180.23 2jhb h ASP 52 N 0.11 0.32 0.00 -3.80 1.82 -0.44 -3.13 116.42 111.29 2jhb h ASP 52 Ca -0.13 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 2jhb h ASP 52 Cb 1.89 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.84 2jhb h ASP 52 CO 0.20 0.19 0.00 0.61 -1.61 0.00 0.00 179.24 178.62 2jhb n GLY 53 N -1.53 -0.06 3.59 -0.78 0.00 -1.07 -0.10 105.19 105.24 2jhb n GLY 53 Ca 0.10 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 2jhb n GLY 53 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jhb n ARG 54 N 0.00 -0.56 -0.96 1.61 0.00 -1.26 -4.55 116.66 110.94 2jhb n ARG 54 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.74 2jhb n ARG 54 Cb 0.00 -2.23 0.00 0.00 -0.00 0.00 0.00 32.46 30.23 2jhb n ARG 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2jhb n SER 55 N -3.53 0.00 -3.79 2.89 2.88 0.75 -4.86 113.62 107.97 2jhb n SER 55 Ca 0.10 -0.67 -0.28 0.00 -1.33 0.00 0.00 58.87 56.69 2jhb n SER 55 Cb 0.53 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.82 2jhb n SER 55 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2jhb s GLU 56 N -1.00 0.90 0.31 -1.46 2.02 -1.26 -0.45 118.70 117.75 2jhb s GLU 56 Ca 0.00 -0.52 0.10 0.00 0.02 0.00 0.00 54.97 54.57 2jhb s GLU 56 Cb 0.00 -2.16 -0.06 0.00 0.10 0.00 0.00 34.13 32.02 2jhb s GLU 56 CO 0.00 -0.60 -0.13 0.42 0.02 0.00 0.00 175.26 174.97 2jhb s ILE 57 N 1.75 2.21 0.12 -1.63 1.01 -0.77 -1.46 121.20 122.44 2jhb s ILE 57 Ca -0.02 -2.26 0.03 0.00 0.00 0.00 0.00 60.65 58.41 2jhb s ILE 57 Cb -0.17 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 2jhb s ILE 57 CO -0.07 -0.30 -0.09 0.00 0.00 0.00 0.00 174.94 174.48 2jhb s ALA 58 N -2.65 1.23 0.01 9.38 0.00 0.87 -0.43 121.76 130.17 2jhb s ALA 58 Ca 0.31 -1.41 -0.19 0.00 0.00 0.00 0.00 51.96 50.66 2jhb s ALA 58 Cb 0.00 0.09 -0.06 0.00 0.00 0.00 0.00 23.12 23.16 2jhb s ALA 58 CO 0.15 -0.15 0.55 -0.06 0.00 0.00 0.00 175.76 176.25 2jhb s PHE 59 N -3.41 3.72 -0.08 0.00 0.40 -0.41 -0.47 117.98 117.73 2jhb s PHE 59 Ca 0.14 1.17 -0.16 0.00 -0.60 0.00 0.00 56.93 57.48 2jhb s PHE 59 Cb 0.03 -2.53 -0.12 0.00 0.51 0.00 0.00 43.02 40.91 2jhb s PHE 59 CO -0.02 0.45 0.58 0.28 0.70 0.00 0.00 175.22 177.21 2jhb h VAL 60 N 3.93 0.70 -0.45 -0.44 2.07 -1.36 -1.61 116.25 119.09 2jhb h VAL 60 Ca -0.47 -1.27 0.09 0.00 0.82 0.00 0.00 66.70 65.87 2jhb h VAL 60 Cb 1.21 1.25 -0.10 0.00 -1.52 0.00 0.00 31.29 32.13 2jhb h VAL 60 CO 0.67 0.21 -0.31 0.00 0.02 0.00 0.00 177.57 178.16 2jhb h ALA 61 N -0.54 -0.09 0.00 1.67 0.00 -1.93 -3.09 119.26 115.28 2jhb h ALA 61 Ca -0.02 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jhb h ALA 61 Cb 0.46 0.69 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2jhb h ALA 61 CO 0.03 -0.68 -1.07 2.41 0.00 0.00 0.00 179.25 179.93 2jhb n THR 62 N -5.42 0.00 -2.21 0.00 -1.04 -1.26 -5.06 114.28 99.29 2jhb n THR 62 Ca 0.02 -0.25 -0.04 0.00 -2.04 0.00 0.00 64.05 61.75 2jhb n THR 62 Cb 0.34 0.59 0.00 0.00 -1.82 0.00 0.00 70.33 69.44 2jhb n THR 62 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jhb n GLY 63 N 1.57 -0.98 2.64 3.41 0.00 -0.61 -5.05 105.19 106.17 2jhb n GLY 63 Ca -0.00 0.53 -0.25 0.00 0.00 0.00 0.00 46.02 46.31 2jhb n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jhb s THR 64 N -1.99 -0.04 0.06 2.61 2.01 -1.20 -4.92 115.64 112.18 2jhb s THR 64 Ca 0.11 -0.04 -0.31 0.00 0.31 0.00 0.00 61.69 61.77 2jhb s THR 64 Cb -0.03 -0.50 -0.08 0.00 0.01 0.00 0.00 72.50 71.90 2jhb s THR 64 CO 0.39 -0.15 1.68 0.21 -0.69 0.00 0.00 174.62 176.07 2jhb s ASN 65 N 2.12 6.59 -0.05 3.53 3.84 -1.26 -1.29 114.94 128.42 2jhb s ASN 65 Ca 0.03 2.49 0.02 0.00 0.21 0.00 0.00 52.86 55.61 2jhb s ASN 65 Cb -0.15 -2.56 0.01 0.00 -0.55 0.00 0.00 41.25 38.01 2jhb s ASN 65 CO -0.07 -0.91 -0.09 -1.48 -2.79 0.00 0.00 177.10 171.76 2jhb s LEU 66 N 2.87 1.57 -0.69 3.21 -0.00 0.43 -4.96 118.68 121.11 2jhb s LEU 66 Ca 0.75 -0.23 -0.27 0.00 -0.00 0.00 0.00 54.13 54.39 2jhb s LEU 66 Cb -0.40 -0.66 0.03 0.00 -0.00 0.00 0.00 46.19 45.16 2jhb s LEU 66 CO 0.33 0.01 1.22 -0.44 -0.00 0.00 0.00 176.35 177.47 2jhb s SER 67 N 0.66 6.23 -0.32 1.48 0.01 -1.26 -1.84 113.70 118.66 2jhb s SER 67 Ca -0.12 -0.36 -0.29 0.00 1.31 0.00 0.00 55.95 56.49 2jhb s SER 67 Cb -0.14 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.54 2jhb s SER 67 CO 0.02 -1.71 1.40 -0.22 0.41 0.00 0.00 173.24 173.15 2jhb s LEU 68 N 5.37 3.79 -0.36 2.44 0.20 0.40 -4.86 118.68 125.66 2jhb s LEU 68 Ca 0.36 1.17 0.01 0.00 0.69 0.00 0.00 54.13 56.37 2jhb s LEU 68 Cb -0.09 -3.54 0.11 0.00 -0.43 0.00 0.00 46.19 42.24 2jhb s LEU 68 CO 0.17 -1.23 0.12 0.00 -0.29 0.00 0.00 176.35 175.12 2jhb s GLN 69 N 4.52 1.11 -1.17 1.98 -2.07 -1.26 -0.18 119.66 122.59 2jhb s GLN 69 Ca 0.61 -1.57 -0.18 0.00 -1.82 0.00 0.00 55.36 52.40 2jhb s GLN 69 Cb -0.17 -2.47 -0.04 0.00 -1.09 0.00 0.00 33.01 29.24 2jhb s GLN 69 CO 0.27 -1.02 2.03 1.19 -1.32 0.00 0.00 175.29 176.44 2jhb n PHE 70 N 4.32 3.04 -3.89 9.60 3.01 -1.26 -4.51 117.46 127.78 2jhb n PHE 70 Ca 0.02 -2.41 -0.29 0.00 1.01 0.00 0.00 57.45 55.78 2jhb n PHE 70 Cb 0.40 -2.28 -0.13 0.00 -0.01 0.00 0.00 39.48 37.45 2jhb n PHE 70 CO 0.00 0.00 0.00 -0.59 1.01 0.00 0.00 176.76 177.18 2jhb s PHE 71 N 4.75 3.06 0.00 1.38 -0.71 -1.26 -4.87 117.98 120.33 2jhb s PHE 71 Ca 0.54 -3.09 0.00 0.00 -1.04 0.00 0.00 56.93 53.34 2jhb s PHE 71 Cb 0.11 -2.60 0.00 0.00 -1.21 0.00 0.00 43.02 39.32 2jhb s PHE 71 CO 0.03 -0.69 0.00 -0.35 -1.34 0.00 0.00 175.22 172.86 2jhb n PRO 72 N 2.84 2.43 -0.05 1.99 -0.04 -1.26 -4.60 135.00 136.31 2jhb n PRO 72 Ca 0.10 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.45 2jhb n PRO 72 Cb 0.34 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.70 2jhb n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jhb h ALA 73 N -2.00 -0.02 -1.95 0.55 0.00 -1.99 -3.43 119.26 110.43 2jhb h ALA 73 Ca 0.00 -0.37 -0.70 0.00 0.00 0.00 0.00 54.91 53.84 2jhb h ALA 73 Cb 0.00 0.01 -0.19 0.00 0.00 0.00 0.00 17.79 17.60 2jhb h ALA 73 CO 0.00 -0.03 0.10 -1.54 0.00 0.00 0.00 179.25 177.78 2jhb s SER 74 N -6.01 6.19 0.01 0.00 1.04 -1.26 -5.02 113.70 108.65 2jhb s SER 74 Ca -0.15 -1.31 -0.06 0.00 0.48 0.00 0.00 55.95 54.92 2jhb s SER 74 Cb -0.02 -2.30 -0.00 0.00 0.10 0.00 0.00 66.02 63.80 2jhb s SER 74 CO 0.54 -1.06 0.10 -1.66 0.98 0.00 0.00 173.24 172.13 2jhb s TRP 75 N 2.68 0.09 0.00 5.02 1.48 -1.26 -5.08 118.94 121.87 2jhb s TRP 75 Ca 0.12 -0.22 0.00 0.00 -1.06 0.00 0.00 56.10 54.94 2jhb s TRP 75 Cb -0.23 -0.08 0.00 0.00 -1.16 0.00 0.00 33.47 32.00 2jhb s TRP 75 CO 0.08 -0.26 0.06 0.94 -4.06 0.00 0.00 176.95 173.70 2jhb n GLN 76 N 1.49 0.00 0.00 3.25 0.00 -1.26 -5.09 117.38 115.77 2jhb n GLN 76 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.77 2jhb n GLN 76 Cb 0.55 -0.36 0.00 0.00 0.00 0.00 0.00 30.24 30.43 2jhb n GLN 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jhb n GLY 77 N 1.93 -2.03 3.36 1.69 0.00 -1.26 -5.14 105.19 103.74 2jhb n GLY 77 Ca 0.00 0.70 -0.23 0.00 0.00 0.00 0.00 46.02 46.49 2jhb n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jhb s GLU 78 N 0.00 1.34 -1.24 1.61 2.12 -1.26 -4.54 118.70 116.73 2jhb s GLU 78 Ca 0.00 -1.45 -0.17 0.00 0.36 0.00 0.00 54.97 53.71 2jhb s GLU 78 Cb 0.00 -1.45 0.02 0.00 0.26 0.00 0.00 34.13 32.97 2jhb s GLU 78 CO 0.00 0.30 0.33 0.94 -0.54 0.00 0.00 175.26 176.29 2jhb n GLN 79 N 0.25 -0.58 -1.97 4.30 0.00 0.86 -4.76 117.38 115.48 2jhb n GLN 79 Ca -0.13 0.03 -0.41 0.00 -0.00 0.00 0.00 57.00 56.49 2jhb n GLN 79 Cb 0.57 -2.61 -0.02 0.00 0.00 0.00 0.00 30.24 28.17 2jhb n GLN 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 2jhb s ARG 80 N -7.13 4.24 0.45 3.69 3.00 -0.22 -4.90 118.95 118.08 2jhb s ARG 80 Ca 0.24 2.35 -0.25 0.00 -1.00 0.00 0.00 55.73 57.08 2jhb s ARG 80 Cb -0.14 -3.10 -0.08 0.00 0.00 0.00 0.00 34.95 31.64 2jhb s ARG 80 CO 0.89 -0.47 1.33 -0.65 0.00 0.00 0.00 175.30 176.40 2jhb s GLN 81 N -0.31 3.70 0.00 5.12 -0.21 -1.26 -4.58 119.66 122.13 2jhb s GLN 81 Ca 0.61 2.18 0.00 0.00 0.02 0.00 0.00 55.36 58.17 2jhb s GLN 81 Cb -0.43 -2.58 0.00 0.00 1.00 0.00 0.00 33.01 31.00 2jhb s GLN 81 CO 0.43 -0.72 0.00 2.41 -2.12 0.00 0.00 175.29 175.29 2jhb n THR 82 N -0.27 0.00 -0.73 -0.19 -1.04 -1.26 -4.96 114.28 105.83 2jhb n THR 82 Ca 0.06 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.75 2jhb n THR 82 Cb 0.44 0.00 0.15 0.00 -1.82 0.00 0.00 70.33 69.10 2jhb n THR 82 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2jhb n PRO 83 N 0.00 -0.60 -1.92 -2.82 -0.02 -1.26 -5.02 135.00 123.35 2jhb n PRO 83 Ca 0.00 -0.13 -0.30 0.00 -2.02 0.00 0.00 63.50 61.05 2jhb n PRO 83 Cb 0.00 -1.98 0.03 0.00 -0.02 0.00 0.00 33.50 31.53 2jhb n PRO 83 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2jhb s SER 84 N -2.17 5.72 0.16 2.55 0.01 -1.26 -4.70 113.70 114.00 2jhb s SER 84 Ca 0.60 1.19 -0.16 0.00 1.31 0.00 0.00 55.95 58.89 2jhb s SER 84 Cb -0.21 -2.09 0.04 0.00 0.21 0.00 0.00 66.02 63.97 2jhb s SER 84 CO 0.65 -1.16 1.78 0.03 0.41 0.00 0.00 173.24 174.95 2jhb h ARG 85 N -0.51 0.40 0.00 12.44 3.08 -1.74 0.17 114.38 128.23 2jhb h ARG 85 Ca -0.45 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2jhb h ARG 85 Cb 1.23 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2jhb h ARG 85 CO 0.63 0.27 0.00 -1.91 -1.07 0.00 0.00 179.97 177.89 2jhb n GLU 86 N -4.91 0.21 -0.00 0.04 4.07 -1.26 -3.07 120.64 115.73 2jhb n GLU 86 Ca 0.01 0.13 -0.00 0.00 -0.06 0.00 0.00 57.16 57.23 2jhb n GLU 86 Cb 0.08 -1.50 -0.00 0.00 -0.06 0.00 0.00 31.44 29.96 2jhb n GLU 86 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2jhb n TYR 87 N -1.33 0.01 -3.99 4.31 4.01 -0.13 -4.42 117.16 115.61 2jhb n TYR 87 Ca 0.08 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.73 2jhb n TYR 87 Cb 0.16 -0.10 -0.11 0.00 -0.31 0.00 0.00 39.34 38.98 2jhb n TYR 87 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2jhb s VAL 88 N -1.04 0.12 -0.03 -0.72 1.01 0.41 -2.52 120.40 117.64 2jhb s VAL 88 Ca -0.01 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 2jhb s VAL 88 Cb 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 36.38 35.97 2jhb s VAL 88 CO 0.01 -0.56 0.05 -0.67 0.00 0.00 0.00 175.10 173.92 2jhb n ASP 89 N 1.41 -1.88 -1.20 3.32 -0.08 -1.26 -3.71 116.55 113.16 2jhb n ASP 89 Ca -0.23 0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 2jhb n ASP 89 Cb 0.56 -1.86 -0.01 0.00 2.34 0.00 0.00 41.12 42.15 2jhb n ASP 89 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jhb n LEU 90 N 0.35 0.26 0.00 -2.67 -0.00 -1.26 -4.25 117.00 109.42 2jhb n LEU 90 Ca -0.08 -1.84 0.00 0.00 -0.00 0.00 0.00 56.01 54.09 2jhb n LEU 90 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.54 2jhb n LEU 90 CO 0.07 0.80 0.00 1.21 -0.00 0.00 0.00 177.39 179.47 2jhb n GLU 91 N 0.28 0.00 0.00 1.47 2.13 -1.26 -4.45 120.64 118.80 2jhb n GLU 91 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 2jhb n GLU 91 Cb 0.94 -3.71 0.00 0.00 0.27 0.00 0.00 31.44 28.94 2jhb n GLU 91 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2jhb n ARG 92 N -2.00 0.00 -1.71 5.31 3.00 -1.26 -5.12 116.66 114.87 2jhb n ARG 92 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.60 2jhb n ARG 92 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 32.46 32.63 2jhb n ARG 92 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2jhb n GLU 93 N 2.18 -1.05 -1.78 -0.14 0.00 -0.07 -4.94 120.64 114.85 2jhb n GLU 93 Ca 0.00 -1.85 -0.23 0.00 0.00 0.00 0.00 57.16 55.09 2jhb n GLU 93 Cb 0.00 -1.15 -0.06 0.00 0.00 0.00 0.00 31.44 30.24 2jhb n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jhb s ALA 94 N -3.91 1.25 0.00 4.31 0.00 -1.26 -3.08 121.76 119.07 2jhb s ALA 94 Ca 0.65 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2jhb s ALA 94 Cb -0.02 -4.52 0.00 0.00 0.00 0.00 0.00 23.12 18.58 2jhb s ALA 94 CO 0.46 -5.21 0.00 0.41 0.00 0.00 0.00 175.76 171.41 2jhb n GLY 95 N 6.65 0.13 3.32 0.00 0.00 -1.26 -4.94 105.19 109.09 2jhb n GLY 95 Ca 0.41 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.26 2jhb n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jhb s LYS 96 N -1.34 1.50 0.12 1.61 -2.85 -1.18 -1.78 119.74 115.83 2jhb s LYS 96 Ca 0.00 -1.84 0.08 0.00 -1.00 0.00 0.00 55.97 53.21 2jhb s LYS 96 Cb 0.00 -0.14 -0.04 0.00 -2.06 0.00 0.00 37.83 35.60 2jhb s LYS 96 CO 0.00 -0.39 -0.19 0.54 0.10 0.00 0.00 175.35 175.42 2jhb s VAL 97 N -3.70 1.63 0.37 1.79 0.11 -0.10 -0.89 120.40 119.62 2jhb s VAL 97 Ca 0.37 -1.65 -0.15 0.00 -2.93 0.00 0.00 61.98 57.62 2jhb s VAL 97 Cb 0.06 -1.59 -0.08 0.00 -1.53 0.00 0.00 36.38 33.24 2jhb s VAL 97 CO 0.16 -0.20 0.79 -0.31 -3.33 0.00 0.00 175.10 172.21 2jhb s TYR 98 N -1.55 3.40 -0.16 1.54 1.51 -1.26 -1.58 117.35 119.24 2jhb s TYR 98 Ca 0.09 1.24 -0.12 0.00 -1.01 0.00 0.00 57.07 57.26 2jhb s TYR 98 Cb -0.08 -2.57 0.05 0.00 -0.11 0.00 0.00 41.96 39.25 2jhb s TYR 98 CO 0.05 -0.02 0.41 -1.17 -1.11 0.00 0.00 175.55 173.71 2jhb s LEU 99 N -3.32 0.19 -0.28 -1.29 1.98 -0.90 -4.66 118.68 110.40 2jhb s LEU 99 Ca 0.55 0.86 -0.26 0.00 -2.89 0.00 0.00 54.13 52.39 2jhb s LEU 99 Cb -0.10 1.39 0.14 0.00 0.66 0.00 0.00 46.19 48.28 2jhb s LEU 99 CO 0.22 -0.17 1.15 -0.75 -1.89 0.00 0.00 176.35 174.91 2jhb s LYS 100 N 0.73 0.38 -0.08 1.98 2.20 -1.05 -0.72 119.74 123.18 2jhb s LYS 100 Ca -0.04 0.40 -0.10 0.00 -0.36 0.00 0.00 55.97 55.87 2jhb s LYS 100 Cb -0.05 0.18 0.02 0.00 -1.51 0.00 0.00 37.83 36.48 2jhb s LYS 100 CO -0.05 -0.06 0.26 0.00 -0.36 0.00 0.00 175.35 175.15 2jhb s ALA 101 N 0.02 -0.65 0.56 3.13 0.00 0.04 -4.50 121.76 120.35 2jhb s ALA 101 Ca 0.04 0.62 -0.17 0.00 0.00 0.00 0.00 51.96 52.45 2jhb s ALA 101 Cb -0.04 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 2jhb s ALA 101 CO -0.08 -0.15 1.04 -1.25 0.00 0.00 0.00 175.76 175.32 2jhb s PRO 102 N -0.20 3.51 0.16 0.00 0.04 -1.26 -0.84 135.00 136.41 2jhb s PRO 102 Ca -0.03 1.22 -0.23 0.00 0.04 0.00 0.00 61.00 62.00 2jhb s PRO 102 Cb -0.03 -2.06 0.07 0.00 0.04 0.00 0.00 34.50 32.52 2jhb s PRO 102 CO 0.01 -0.65 0.59 0.00 0.04 0.00 0.00 177.00 176.99 2jhb s MET 103 N -3.86 1.28 -0.47 4.56 0.23 0.11 -4.16 119.30 116.99 2jhb s MET 103 Ca 0.64 -0.50 0.03 0.00 -1.03 0.00 0.00 55.69 54.83 2jhb s MET 103 Cb -0.15 0.58 0.15 0.00 -1.53 0.00 0.00 34.83 33.88 2jhb s MET 103 CO 0.32 -0.56 0.29 0.42 -2.03 0.00 0.00 175.02 173.46 2jhb s ILE 104 N -3.76 1.38 -0.22 3.16 1.01 -1.25 -0.92 121.20 120.60 2jhb s ILE 104 Ca 0.01 -2.79 -0.07 0.00 0.00 0.00 0.00 60.65 57.80 2jhb s ILE 104 Cb -0.01 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 2jhb s ILE 104 CO -0.12 -0.98 0.06 -0.76 0.00 0.00 0.00 174.94 173.14 2jhb s LEU 105 N 0.06 3.57 0.00 2.97 2.01 -0.80 -4.42 118.68 122.07 2jhb s LEU 105 Ca 0.21 -0.10 0.00 0.00 0.01 0.00 0.00 54.13 54.26 2jhb s LEU 105 Cb -0.16 -1.93 0.00 0.00 0.01 0.00 0.00 46.19 44.11 2jhb s LEU 105 CO -0.06 0.05 0.00 -3.20 1.01 0.00 0.00 176.35 174.15 2jhb n ASN 106 N 4.34 0.00 0.00 2.29 2.85 -1.26 -1.09 115.26 122.38 2jhb n ASN 106 Ca -0.16 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 2jhb n ASN 106 Cb 0.52 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.54 2jhb n ASN 106 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jhb n GLY 107 N 0.00 0.85 3.25 8.20 0.00 -1.26 -4.60 105.19 111.64 2jhb n GLY 107 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2jhb n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jhb s VAL 108 N -0.85 2.78 -0.87 1.61 1.01 -0.25 -0.67 120.40 123.15 2jhb s VAL 108 Ca 0.00 -0.71 -0.25 0.00 0.00 0.00 0.00 61.98 61.02 2jhb s VAL 108 Cb 0.00 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 2jhb s VAL 108 CO 0.00 0.49 1.71 0.00 0.00 0.00 0.00 175.10 177.31 2jhb s VAL 110 N 7.93 4.12 -0.21 0.00 -7.23 -0.09 -0.97 120.40 123.94 2jhb s VAL 110 Ca 0.59 -0.81 0.02 0.00 -1.81 0.00 0.00 61.98 59.96 2jhb s VAL 110 Cb -0.06 -3.46 0.04 0.00 0.56 0.00 0.00 36.38 33.46 2jhb s VAL 110 CO 0.02 -0.23 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.81 2jhb s ILE 111 N -2.30 1.96 0.18 -0.62 1.01 0.11 -0.71 121.20 120.83 2jhb s ILE 111 Ca 0.45 -1.21 -0.30 0.00 0.00 0.00 0.00 60.65 59.59 2jhb s ILE 111 Cb -0.10 -1.96 -0.08 0.00 0.01 0.00 0.00 42.46 40.33 2jhb s ILE 111 CO 0.33 0.21 1.26 0.86 0.00 0.00 0.00 174.94 177.61 2jhb s TRP 112 N 1.26 3.33 0.11 3.97 -0.00 -0.02 -0.01 118.94 127.58 2jhb s TRP 112 Ca -0.02 1.30 0.01 0.00 -0.00 0.00 0.00 56.10 57.38 2jhb s TRP 112 Cb -0.17 -3.53 -0.04 0.00 -0.00 0.00 0.00 33.47 29.73 2jhb s TRP 112 CO -0.09 -1.60 -0.02 -1.59 -0.00 0.00 0.00 176.95 173.65 2jhb s LYS 113 N -0.08 0.87 0.00 5.86 -2.85 0.03 -0.78 119.74 122.79 2jhb s LYS 113 Ca 0.55 -1.37 0.00 0.00 -1.00 0.00 0.00 55.97 54.15 2jhb s LYS 113 Cb -0.35 -0.07 0.00 0.00 -2.06 0.00 0.00 37.83 35.36 2jhb s LYS 113 CO 0.37 -0.10 0.00 0.41 0.10 0.00 0.00 175.35 176.13 2jhb n GLY 114 N -0.07 -1.36 2.75 0.59 0.00 0.10 -0.63 105.19 106.58 2jhb n GLY 114 Ca -0.10 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.65 2jhb n GLY 114 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2jhb s TRP 115 N -2.96 0.53 -0.42 1.61 -2.14 0.51 -2.13 118.94 113.93 2jhb s TRP 115 Ca 0.00 -0.07 -0.19 0.00 2.66 0.00 0.00 56.10 58.50 2jhb s TRP 115 Cb 0.00 -0.71 0.02 0.00 -3.10 0.00 0.00 33.47 29.68 2jhb s TRP 115 CO 0.00 -0.29 0.55 0.42 -2.66 0.00 0.00 176.95 174.98 2jhb s ILE 116 N 1.94 4.94 0.56 0.66 -1.09 -0.62 -1.21 121.20 126.39 2jhb s ILE 116 Ca 0.04 -0.03 -0.20 0.00 -2.23 0.00 0.00 60.65 58.23 2jhb s ILE 116 Cb -0.12 -4.12 -0.05 0.00 -1.58 0.00 0.00 42.46 36.58 2jhb s ILE 116 CO -0.04 -0.49 1.09 0.47 -1.23 0.00 0.00 174.94 174.73 2jhb n ASP 117 N 5.96 1.38 0.00 3.58 9.92 -0.00 -0.93 116.55 136.46 2jhb n ASP 117 Ca -0.04 0.88 0.13 0.00 -0.53 0.00 0.00 54.79 55.23 2jhb n ASP 117 Cb 0.48 -1.44 0.75 0.00 -0.64 0.00 0.00 41.12 40.27 2jhb n ASP 117 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2jhb n LEU 118 N -0.70 0.00 0.05 0.64 4.77 -0.73 -3.06 117.00 117.98 2jhb n LEU 118 Ca 0.12 0.05 -0.02 0.00 -0.03 0.00 0.00 56.01 56.14 2jhb n LEU 118 Cb 0.45 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.48 2jhb n LEU 118 CO 0.51 -0.01 0.41 0.45 -1.33 0.00 0.00 177.39 177.43 2jhb h HIS 119 N 0.00 -0.13 0.00 -1.77 3.86 -1.85 -3.36 115.15 111.90 2jhb h HIS 119 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2jhb h HIS 119 Cb 0.04 0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.56 2jhb h HIS 119 CO 0.00 -0.08 0.00 0.54 0.86 0.00 0.00 177.93 179.25 2jhb n ARG 120 N -2.43 1.32 -2.93 2.45 5.12 -1.26 -4.96 116.66 113.97 2jhb n ARG 120 Ca -0.02 -1.04 -0.08 0.00 -1.93 0.00 0.00 57.85 54.78 2jhb n ARG 120 Cb 0.05 -0.96 0.04 0.00 -1.16 0.00 0.00 32.46 30.43 2jhb n ARG 120 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2jhb n LEU 121 N -0.28 -5.53 -4.23 0.55 7.99 -1.18 -4.77 117.00 109.56 2jhb n LEU 121 Ca 0.00 -0.39 -0.17 0.00 -0.01 0.00 0.00 56.01 55.44 2jhb n LEU 121 Cb 0.17 -2.89 -0.08 0.00 -0.11 0.00 0.00 43.42 40.51 2jhb n LEU 121 CO 0.00 -0.33 -0.07 -0.62 -1.51 0.00 0.00 177.39 174.85 2jhb s ASP 122 N -3.14 1.28 0.00 -1.43 -1.08 -1.17 -0.32 116.67 110.80 2jhb s ASP 122 Ca 0.24 -1.64 0.00 0.00 -0.52 0.00 0.00 52.55 50.63 2jhb s ASP 122 Cb -0.03 0.55 0.00 0.00 -1.46 0.00 0.00 42.92 41.98 2jhb s ASP 122 CO 0.64 -1.08 0.00 0.61 0.52 0.00 0.00 175.17 175.86 2jhb n GLY 123 N -0.56 0.31 3.12 2.66 0.00 -0.63 -0.82 105.19 109.27 2jhb n GLY 123 Ca 0.05 -1.05 -0.21 0.00 0.00 0.00 0.00 46.02 44.81 2jhb n GLY 123 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jhb s MET 124 N -1.49 1.05 0.18 1.61 1.75 -0.35 -0.59 119.30 121.45 2jhb s MET 124 Ca 0.00 -0.62 -0.22 0.00 -1.25 0.00 0.00 55.69 53.60 2jhb s MET 124 Cb 0.00 -1.03 0.08 0.00 2.84 0.00 0.00 34.83 36.71 2jhb s MET 124 CO 0.00 0.27 1.05 0.20 -0.65 0.00 0.00 175.02 175.89 2jhb s GLY 125 N -0.69 0.09 -0.00 2.11 0.00 0.13 -0.37 107.32 108.60 2jhb s GLY 125 Ca 0.04 -0.30 -0.06 0.00 0.00 0.00 0.00 44.72 44.39 2jhb s GLY 125 CO 0.00 2.48 0.27 0.00 0.00 0.00 0.00 173.10 175.85 2jhb s LEU 127 N 0.00 3.60 0.29 0.00 1.43 -0.76 -0.79 118.68 122.45 2jhb s LEU 127 Ca 0.06 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.67 2jhb s LEU 127 Cb -0.00 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 2jhb s LEU 127 CO -0.00 -0.18 0.41 -0.70 0.23 0.00 0.00 176.35 176.11 2jhb s GLU 128 N -3.88 1.69 0.24 1.70 2.56 0.98 -4.65 118.70 117.34 2jhb s GLU 128 Ca 0.36 -1.61 0.08 0.00 0.00 0.00 0.00 54.97 53.80 2jhb s GLU 128 Cb -0.06 0.42 -0.04 0.00 2.00 0.00 0.00 34.13 36.44 2jhb s GLU 128 CO 0.25 -0.68 0.05 0.12 -0.56 0.00 0.00 175.26 174.44 2jhb s PHE 129 N -3.52 2.83 -0.13 5.30 5.36 -1.26 -0.71 117.98 125.85 2jhb s PHE 129 Ca 0.30 -0.17 -0.00 0.00 -0.96 0.00 0.00 56.93 56.10 2jhb s PHE 129 Cb 0.01 -1.28 0.03 0.00 -0.34 0.00 0.00 43.02 41.43 2jhb s PHE 129 CO 0.16 0.57 -0.10 0.34 -1.46 0.00 0.00 175.22 174.74 2jhb s ASP 130 N -3.56 2.42 0.12 6.13 -1.08 -0.15 -4.56 116.67 115.99 2jhb s ASP 130 Ca 0.31 -0.40 -0.15 0.00 -0.52 0.00 0.00 52.55 51.79 2jhb s ASP 130 Cb -0.07 -0.96 -0.03 0.00 -1.46 0.00 0.00 42.92 40.40 2jhb s ASP 130 CO 0.21 -0.10 1.57 -0.33 0.52 0.00 0.00 175.17 177.03 2jhb h GLU 131 N 8.13 0.68 0.17 4.34 5.08 -2.01 -3.10 114.58 127.87 2jhb h GLU 131 Ca -0.32 -0.21 -0.31 0.00 -1.00 0.00 0.00 59.36 57.52 2jhb h GLU 131 Cb 1.13 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.33 2jhb h GLU 131 CO 0.45 0.77 -1.43 1.49 -1.00 0.00 0.00 179.01 179.29 2jhb h GLU 132 N 0.50 0.37 -0.73 2.33 4.81 -1.96 -2.45 114.58 117.45 2jhb h GLU 132 Ca 0.11 -0.63 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 2jhb h GLU 132 Cb 0.46 0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 2jhb h GLU 132 CO 0.02 1.28 0.38 -0.09 -0.73 0.00 0.00 179.01 179.87 2jhb h ARG 133 N 0.10 1.03 -0.26 1.92 9.65 -1.96 -0.53 114.38 124.33 2jhb h ARG 133 Ca -0.22 -0.13 0.01 0.00 -1.10 0.00 0.00 59.98 58.55 2jhb h ARG 133 Cb 2.06 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 30.42 2jhb h ARG 133 CO 0.22 0.77 0.13 0.00 2.80 0.00 0.00 179.97 183.89 2jhb h ALA 134 N 1.38 0.31 -0.92 2.80 0.00 -1.40 0.23 119.26 121.67 2jhb h ALA 134 Ca 0.26 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.19 2jhb h ALA 134 Cb 0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2jhb h ALA 134 CO -0.04 -0.26 0.61 1.96 0.00 0.00 0.00 179.25 181.52 2jhb h GLN 135 N 0.28 1.17 -0.27 0.00 4.20 -1.29 -0.24 115.11 118.96 2jhb h GLN 135 Ca 0.10 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 2jhb h GLN 135 Cb 0.02 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 2jhb h GLN 135 CO -0.06 0.78 -0.08 1.96 -0.67 0.00 0.00 178.83 180.75 2jhb h GLN 136 N 1.21 0.53 -0.12 1.46 1.08 0.17 -2.84 115.11 116.59 2jhb h GLN 136 Ca 0.35 -0.21 -0.13 0.00 -1.45 0.00 0.00 58.65 57.21 2jhb h GLN 136 Cb -0.07 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 2jhb h GLN 136 CO -0.09 0.75 -0.51 1.49 -0.95 0.00 0.00 178.83 179.52 2jhb h GLU 137 N 0.28 0.33 -0.74 1.46 4.57 -0.38 -0.69 114.58 119.41 2jhb h GLU 137 Ca 0.07 -0.19 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 2jhb h GLU 137 Cb 0.56 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.13 2jhb h GLU 137 CO 0.03 0.76 0.44 -0.44 -1.18 0.00 0.00 179.01 178.62 2jhb h ASP 138 N 0.26 0.88 -0.23 1.04 3.32 -1.01 0.18 116.42 120.87 2jhb h ASP 138 Ca 0.01 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 2jhb h ASP 138 Cb 0.98 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 2jhb h ASP 138 CO 0.08 0.67 -0.19 0.00 -1.72 0.00 0.00 179.24 178.09 2jhb h ALA 139 N 1.48 0.33 0.00 3.45 0.00 -1.22 -3.28 119.26 120.01 2jhb h ALA 139 Ca 0.27 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jhb h ALA 139 Cb -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2jhb h ALA 139 CO -0.05 0.25 0.00 -0.07 0.00 0.00 0.00 179.25 179.38 2jhb h LEU 140 N 0.22 0.00 -1.94 0.00 3.38 0.12 -0.39 115.31 116.70 2jhb h LEU 140 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2jhb h LEU 140 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2jhb h LEU 140 CO 0.05 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.58 2jhb n ALA 141 N -2.08 2.21 -3.42 1.53 0.00 -0.07 -4.75 120.51 113.93 2jhb n ALA 141 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 2jhb n ALA 141 Cb 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2jhb n ALA 141 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jhb n GLN 142 N 0.61 -1.49 0.00 0.00 3.00 -1.11 -4.66 117.38 113.74 2jhb n GLN 142 Ca 0.00 1.16 0.00 0.00 -0.01 0.00 0.00 57.00 58.15 2jhb n GLN 142 Cb 0.35 -3.95 0.00 0.00 0.00 0.00 0.00 30.24 26.64 2jhb n GLN 142 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00