#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 -2.63 -3.79 1.61 2.88 -1.26 -5.15 113.62 105.28 2jhb n SER 2 Ca 0.00 -2.89 -0.13 0.00 -1.33 0.00 0.00 58.87 54.53 2jhb n SER 2 Cb 0.00 1.23 -0.09 0.00 -0.75 0.00 0.00 64.21 64.60 2jhb n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jhb s MET 3 N 0.57 0.55 0.32 -1.46 0.00 -1.26 -5.15 119.30 112.87 2jhb s MET 3 Ca 0.31 -0.11 -0.27 0.00 0.00 0.00 0.00 55.69 55.61 2jhb s MET 3 Cb 0.06 0.24 -0.09 0.00 0.00 0.00 0.00 34.83 35.04 2jhb s MET 3 CO -0.12 -0.14 1.04 -1.25 0.00 0.00 0.00 175.02 174.55 2jhb s PRO 4 N -1.02 4.52 0.00 3.16 0.04 -1.26 -4.89 135.00 135.55 2jhb s PRO 4 Ca -0.11 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.53 2jhb s PRO 4 Cb -0.05 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.54 2jhb s PRO 4 CO 0.03 0.16 0.00 0.54 0.04 0.00 0.00 177.00 177.77 2jhb n ARG 5 N 0.75 1.67 -3.76 4.56 5.12 -1.26 -5.10 116.66 118.65 2jhb n ARG 5 Ca 0.01 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.80 2jhb n ARG 5 Cb 0.47 -0.43 -0.09 0.00 -1.16 0.00 0.00 32.46 31.26 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 -0.68 0.05 0.58 1.55 -7.23 -1.26 -4.57 120.40 108.85 2jhb s VAL 6 Ca 0.00 -0.41 -0.03 0.00 -1.81 0.00 0.00 61.98 59.74 2jhb s VAL 6 Cb 0.00 -0.60 0.03 0.00 0.56 0.00 0.00 36.38 36.36 2jhb s VAL 6 CO 0.00 -0.22 0.85 0.68 -0.31 0.00 0.00 175.10 176.10 2jhb s VAL 7 N -1.13 3.03 -0.01 1.32 -7.23 0.45 -4.94 120.40 111.89 2jhb s VAL 7 Ca -0.12 -0.37 -0.10 0.00 -1.81 0.00 0.00 61.98 59.58 2jhb s VAL 7 Cb -0.05 -3.19 -0.05 0.00 0.56 0.00 0.00 36.38 33.65 2jhb s VAL 7 CO 0.04 -0.17 0.61 1.55 -0.31 0.00 0.00 175.10 176.82 2jhb h PRO 8 N -0.11 -0.34 -2.65 4.82 0.13 -2.01 -3.34 132.00 128.50 2jhb h PRO 8 Ca -0.44 0.02 -0.47 0.00 -0.87 0.00 0.00 66.00 64.25 2jhb h PRO 8 Cb 1.28 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 2jhb h PRO 8 CO 0.57 -0.23 2.16 -3.47 -0.23 0.00 0.00 178.00 176.81 2jhb n ASP 9 N -3.81 7.13 -0.28 1.44 2.03 -1.26 -4.75 116.55 117.05 2jhb n ASP 9 Ca -0.04 -2.51 0.10 0.00 0.52 0.00 0.00 54.79 52.86 2jhb n ASP 9 Cb 0.14 -1.46 0.25 0.00 -0.72 0.00 0.00 41.12 39.33 2jhb n ASP 9 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2jhb h GLN 10 N 4.34 0.31 -0.50 -0.67 4.20 -1.90 -0.22 115.11 120.67 2jhb h GLN 10 Ca 0.59 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 59.20 2jhb h GLN 10 Cb 0.73 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 2jhb h GLN 10 CO 1.17 0.21 0.00 -0.09 -0.67 0.00 0.00 178.83 179.45 2jhb h ARG 11 N 0.32 0.84 -0.24 1.46 9.65 -1.95 0.91 114.38 125.38 2jhb h ARG 11 Ca 0.50 -0.23 -0.14 0.00 -1.10 0.00 0.00 59.98 59.01 2jhb h ARG 11 Cb 0.91 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.40 2jhb h ARG 11 CO -0.54 0.84 -0.38 1.03 2.80 0.00 0.00 179.97 183.71 2jhb h SER 12 N 0.78 0.75 -0.13 -3.80 0.87 -1.49 -3.19 113.55 107.33 2jhb h SER 12 Ca 0.15 -0.52 -0.08 0.00 -1.23 0.00 0.00 61.79 60.11 2jhb h SER 12 Cb 0.46 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2jhb h SER 12 CO 0.02 1.13 -0.14 0.50 -0.53 0.00 0.00 176.83 177.81 2jhb h LYS 13 N 0.39 0.50 -0.97 2.24 1.63 -0.90 0.22 116.57 119.68 2jhb h LYS 13 Ca 0.02 -0.15 0.23 0.00 -0.85 0.00 0.00 60.65 59.90 2jhb h LYS 13 Cb 0.98 -0.05 -0.12 0.00 -0.60 0.00 0.00 32.23 32.44 2jhb h LYS 13 CO 0.09 0.64 0.55 0.35 -3.45 0.00 0.00 179.45 177.62 2jhb h PHE 14 N 0.46 0.93 0.00 1.91 3.57 -0.81 -1.35 116.94 121.65 2jhb h PHE 14 Ca 0.08 0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.44 2jhb h PHE 14 Cb 0.52 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 2jhb h PHE 14 CO 0.02 0.07 -1.74 0.39 -2.23 0.00 0.00 178.31 174.82 2jhb n GLU 15 N -4.90 0.64 -0.06 1.11 1.02 -0.70 -4.61 120.64 113.14 2jhb n GLU 15 Ca 0.25 0.09 -0.13 0.00 -0.02 0.00 0.00 57.16 57.36 2jhb n GLU 15 Cb 0.69 -1.69 -0.11 0.00 -0.02 0.00 0.00 31.44 30.31 2jhb n GLU 15 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2jhb h ASN 16 N 0.00 -0.01 -1.73 1.62 2.35 0.10 -3.43 115.58 114.48 2jhb h ASN 16 Ca -0.22 -0.83 -0.68 0.00 -0.55 0.00 0.00 56.30 54.02 2jhb h ASN 16 Cb 1.63 0.00 0.05 0.00 0.05 0.00 0.00 38.32 40.04 2jhb h ASN 16 CO 0.03 0.87 0.60 -0.62 -1.65 0.00 0.00 177.43 176.66 2jhb n GLU 17 N -4.67 1.29 0.26 0.81 -0.58 -0.58 -4.82 120.64 112.36 2jhb n GLU 17 Ca -0.09 0.47 0.08 0.00 -0.42 0.00 0.00 57.16 57.20 2jhb n GLU 17 Cb 0.41 -2.14 0.65 0.00 -0.57 0.00 0.00 31.44 29.78 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 5.38 0.00 0.21 3.49 5.08 -1.91 0.02 114.58 126.85 2jhb h GLU 18 Ca -0.47 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2jhb h GLU 18 Cb 1.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 2jhb h GLU 18 CO 0.83 0.03 -0.17 0.35 -1.00 0.00 0.00 179.01 179.05 2jhb h PHE 19 N 0.00 -0.45 -0.67 4.33 3.04 -1.98 -0.00 116.94 121.20 2jhb h PHE 19 Ca -0.00 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.88 2jhb h PHE 19 Cb 0.06 0.17 -0.03 0.00 2.56 0.00 0.00 35.95 38.71 2jhb h PHE 19 CO 0.00 -0.27 0.14 0.74 -2.02 0.00 0.00 178.31 176.90 2jhb h PHE 20 N -0.40 1.14 0.00 0.41 0.04 -1.64 -2.72 116.94 113.78 2jhb h PHE 20 Ca -0.01 -0.14 -0.03 0.00 2.80 0.00 0.00 57.97 60.59 2jhb h PHE 20 Cb 0.36 -0.32 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 2jhb h PHE 20 CO -0.12 0.95 -0.15 0.00 -0.60 0.00 0.00 178.31 178.39 2jhb h ARG 21 N 1.02 0.00 -0.25 1.51 2.47 -0.71 0.28 114.38 118.71 2jhb h ARG 21 Ca 0.21 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.91 2jhb h ARG 21 Cb 0.40 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 2jhb h ARG 21 CO 0.01 0.15 0.07 0.87 0.56 0.00 0.00 179.97 181.62 2jhb h LYS 22 N 0.00 0.40 0.00 0.04 1.57 -0.68 -3.18 116.57 114.72 2jhb h LYS 22 Ca -0.00 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 2jhb h LYS 22 Cb 0.30 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2jhb h LYS 22 CO 0.02 0.49 -0.37 -0.07 -0.57 0.00 0.00 179.45 178.95 2jhb h LEU 23 N 0.23 0.00 0.00 2.94 3.38 -1.06 -3.43 115.31 117.37 2jhb h LEU 23 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2jhb h LEU 23 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2jhb h LEU 23 CO -0.00 0.37 0.00 -0.24 0.09 0.00 0.00 178.44 178.66 2jhb n SER 24 N -3.33 -2.80 -5.01 -0.43 2.88 0.87 -4.58 113.62 101.23 2jhb n SER 24 Ca 0.01 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.36 2jhb n SER 24 Cb 0.59 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.10 2jhb n SER 24 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2jhb s ARG 25 N 0.00 2.35 -0.65 -1.46 0.52 -1.26 -2.70 118.95 115.75 2jhb s ARG 25 Ca 0.00 -1.54 -0.24 0.00 -0.52 0.00 0.00 55.73 53.43 2jhb s ARG 25 Cb 0.00 -2.65 -0.15 0.00 0.52 0.00 0.00 34.95 32.67 2jhb s ARG 25 CO 0.00 -0.81 1.86 -0.85 0.02 0.00 0.00 175.30 175.52 2jhb n GLU 26 N -2.22 0.00 -4.21 3.54 0.00 -1.26 -4.82 120.64 111.67 2jhb n GLU 26 Ca 0.14 0.00 -0.17 0.00 0.00 0.00 0.00 57.16 57.13 2jhb n GLU 26 Cb 0.61 -1.07 -0.07 0.00 0.00 0.00 0.00 31.44 30.91 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 -3.37 4.41 0.13 0.00 2.12 -1.26 -0.60 118.70 120.13 2jhb s GLU 28 Ca 0.37 1.68 0.03 0.00 0.36 0.00 0.00 54.97 57.41 2jhb s GLU 28 Cb 0.02 -2.89 -0.04 0.00 0.26 0.00 0.00 34.13 31.47 2jhb s GLU 28 CO 0.24 0.04 -0.06 0.96 -0.54 0.00 0.00 175.26 175.89 2jhb s ILE 29 N -1.38 0.86 -0.03 -3.70 -4.36 0.30 -0.47 121.20 112.42 2jhb s ILE 29 Ca 0.51 -1.99 -0.02 0.00 -0.26 0.00 0.00 60.65 58.88 2jhb s ILE 29 Cb -0.28 -1.84 0.01 0.00 1.25 0.00 0.00 42.46 41.61 2jhb s ILE 29 CO 0.35 -0.74 0.08 -0.54 0.24 0.00 0.00 174.94 174.32 2jhb s LYS 30 N -3.82 0.08 0.25 0.37 1.02 -0.27 -1.21 119.74 116.16 2jhb s LYS 30 Ca 0.16 0.13 -0.30 0.00 0.02 0.00 0.00 55.97 55.98 2jhb s LYS 30 Cb 0.04 0.00 -0.09 0.00 -0.52 0.00 0.00 37.83 37.27 2jhb s LYS 30 CO -0.01 -0.03 1.06 -0.47 -0.92 0.00 0.00 175.35 174.98 2jhb s TYR 31 N 0.20 3.69 0.00 3.18 6.14 0.24 0.04 117.35 130.84 2jhb s TYR 31 Ca -0.01 1.74 0.00 0.00 0.64 0.00 0.00 57.07 59.44 2jhb s TYR 31 Cb -0.02 -3.21 0.00 0.00 0.42 0.00 0.00 41.96 39.15 2jhb s TYR 31 CO -0.01 -0.30 0.14 0.25 0.64 0.00 0.00 175.55 176.27 2jhb n THR 32 N 1.48 0.00 0.00 4.34 -2.24 -0.83 -4.80 114.28 112.23 2jhb n THR 32 Ca -0.01 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2jhb n THR 32 Cb 0.46 1.51 0.00 0.00 -2.10 0.00 0.00 70.33 70.19 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 0.08 -0.67 0.39 3.38 0.00 -0.62 -4.48 105.19 103.26 2jhb n GLY 33 Ca 0.00 -0.50 0.18 0.00 0.00 0.00 0.00 46.02 45.70 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 0.33 0.00 1.61 -5.15 -1.96 -0.99 116.94 110.77 2jhb h PHE 34 Ca 0.00 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.78 2jhb h PHE 34 Cb 0.00 -0.10 0.00 0.00 0.22 0.00 0.00 35.95 36.07 2jhb h PHE 34 CO 0.00 0.12 0.00 0.07 -2.00 0.00 0.00 178.31 176.50 2jhb h ARG 35 N 0.27 0.00 0.00 6.09 -0.00 -1.92 -2.39 114.38 116.44 2jhb h ARG 35 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.33 2jhb h ARG 35 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.95 2jhb h ARG 35 CO -0.08 0.00 0.05 -3.47 -0.00 0.00 0.00 179.97 176.47 2jhb n ASP 36 N -2.68 0.00 -4.51 0.08 2.03 -0.38 -4.68 116.55 106.42 2jhb n ASP 36 Ca -0.02 0.40 -0.32 0.00 0.52 0.00 0.00 54.79 55.38 2jhb n ASP 36 Cb 0.10 -0.40 0.16 0.00 -0.72 0.00 0.00 41.12 40.25 2jhb n ASP 36 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2jhb n ARG 37 N -1.40 -0.75 -1.70 -0.67 5.12 -0.90 -4.89 116.66 111.47 2jhb n ARG 37 Ca 0.00 -0.17 -0.42 0.00 -1.93 0.00 0.00 57.85 55.33 2jhb n ARG 37 Cb 0.05 -2.08 -0.03 0.00 -1.16 0.00 0.00 32.46 29.24 2jhb n ARG 37 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2jhb s PRO 38 N -4.10 4.13 0.42 5.56 0.04 -1.26 -4.88 135.00 134.90 2jhb s PRO 38 Ca 0.62 2.62 -0.25 0.00 0.04 0.00 0.00 61.00 64.03 2jhb s PRO 38 Cb -0.21 -3.50 -0.08 0.00 0.04 0.00 0.00 34.50 30.75 2jhb s PRO 38 CO 0.63 -0.83 1.17 -1.58 0.04 0.00 0.00 177.00 176.43 2jhb s HIS 39 N 2.46 3.01 0.00 0.56 2.46 -1.26 -4.76 115.29 117.75 2jhb s HIS 39 Ca 0.80 1.54 0.00 0.00 0.47 0.00 0.00 55.06 57.88 2jhb s HIS 39 Cb -0.47 -3.40 0.00 0.00 -0.13 0.00 0.00 32.58 28.58 2jhb s HIS 39 CO 0.36 -1.40 0.00 -1.91 -2.47 0.00 0.00 174.74 169.32 2jhb n GLU 40 N -0.08 0.00 -2.84 2.88 2.13 -1.26 -5.09 120.64 116.38 2jhb n GLU 40 Ca 0.05 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.87 2jhb n GLU 40 Cb 0.47 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.19 2jhb n GLU 40 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2jhb s GLU 41 N -1.02 0.46 0.00 5.31 2.12 -1.26 -4.94 118.70 119.37 2jhb s GLU 41 Ca 0.00 -0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.03 2jhb s GLU 41 Cb 0.00 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.41 2jhb s GLU 41 CO 0.00 -0.62 0.00 2.89 -0.54 0.00 0.00 175.26 176.99 2jhb n ARG 42 N 3.45 4.12 -0.31 4.30 0.00 -1.26 -4.95 116.66 122.01 2jhb n ARG 42 Ca 0.10 0.00 0.16 0.00 -0.00 0.00 0.00 57.85 58.11 2jhb n ARG 42 Cb 0.61 -0.51 0.33 0.00 -0.00 0.00 0.00 32.46 32.89 2jhb n ARG 42 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 2jhb h GLN 43 N 0.00 0.16 0.05 2.89 7.50 -1.92 0.52 115.11 124.32 2jhb h GLN 43 Ca 0.00 -0.01 -0.14 0.00 0.50 0.00 0.00 58.65 59.00 2jhb h GLN 43 Cb 0.00 -0.04 0.01 0.00 0.05 0.00 0.00 27.48 27.51 2jhb h GLN 43 CO 0.00 0.11 -0.60 1.15 -1.50 0.00 0.00 178.83 177.99 2jhb h THR 44 N 0.17 1.50 -0.86 -0.54 2.02 -1.98 -3.32 112.91 109.90 2jhb h THR 44 Ca 0.60 -2.25 0.15 0.00 0.77 0.00 0.00 66.41 65.68 2jhb h THR 44 Cb 1.27 2.89 -0.06 0.00 -1.74 0.00 0.00 68.15 70.51 2jhb h THR 44 CO -0.70 0.64 0.56 -0.09 0.37 0.00 0.00 175.52 176.29 2jhb h ARG 45 N -0.31 0.59 -0.36 6.66 2.43 -1.40 -1.66 114.38 120.33 2jhb h ARG 45 Ca -0.09 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.11 2jhb h ARG 45 Cb 1.38 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.73 2jhb h ARG 45 CO 0.11 0.39 -0.06 0.35 -1.51 0.00 0.00 179.97 179.25 2jhb h PHE 46 N 0.60 -0.13 -0.41 2.20 3.57 -0.15 0.36 116.94 122.99 2jhb h PHE 46 Ca 0.43 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.94 2jhb h PHE 46 Cb 0.78 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 2jhb h PHE 46 CO -0.00 -0.12 0.19 1.96 -2.23 0.00 0.00 178.31 178.10 2jhb h GLN 47 N 0.03 0.57 0.03 1.11 7.50 -1.43 -0.43 115.11 122.50 2jhb h GLN 47 Ca 0.17 -0.06 -0.23 0.00 0.50 0.00 0.00 58.65 59.03 2jhb h GLN 47 Cb 0.26 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 27.68 2jhb h GLN 47 CO -0.34 0.45 -1.00 -0.91 -1.50 0.00 0.00 178.83 175.54 2jhb h ASN 48 N 0.57 0.46 -0.11 1.46 2.35 -0.42 -2.01 115.58 117.88 2jhb h ASN 48 Ca 0.14 -0.39 -0.12 0.00 -0.55 0.00 0.00 56.30 55.39 2jhb h ASN 48 Cb 0.08 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2jhb h ASN 48 CO -0.02 1.21 -0.31 0.00 -1.65 0.00 0.00 177.43 176.67 2jhb h ALA 49 N 0.75 0.94 -0.61 -0.83 0.00 -0.22 0.21 119.26 119.49 2jhb h ALA 49 Ca -0.08 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.46 2jhb h ALA 49 Cb 1.65 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 2jhb h ALA 49 CO 0.17 0.61 0.37 0.00 0.00 0.00 0.00 179.25 180.40 2jhb h ARG 51 N 0.74 0.00 0.00 0.00 2.43 -0.87 -2.37 114.38 114.30 2jhb h ARG 51 Ca 0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2jhb h ARG 51 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2jhb h ARG 51 CO -0.10 0.15 0.00 0.22 -1.51 0.00 0.00 179.97 178.73 2jhb h ASP 52 N 0.00 0.00 0.00 -3.80 1.82 -0.29 -2.00 116.42 112.15 2jhb h ASP 52 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2jhb h ASP 52 Cb 1.06 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.07 2jhb h ASP 52 CO 0.02 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.26 2jhb n GLY 53 N -1.14 0.25 3.51 -0.78 0.00 -0.89 -0.51 105.19 105.63 2jhb n GLY 53 Ca -0.01 -2.05 -0.35 0.00 0.00 0.00 0.00 46.02 43.60 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 0.15 -1.56 1.61 1.85 -1.26 -4.58 116.66 112.86 2jhb n ARG 54 Ca 0.00 0.10 -0.01 0.00 -1.00 0.00 0.00 57.85 56.94 2jhb n ARG 54 Cb 0.00 -1.99 0.00 0.00 -1.05 0.00 0.00 32.46 29.42 2jhb n ARG 54 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2jhb n SER 55 N -1.26 -0.21 -3.86 2.89 2.88 0.38 -4.93 113.62 109.51 2jhb n SER 55 Ca 0.10 -1.20 -0.29 0.00 -1.33 0.00 0.00 58.87 56.16 2jhb n SER 55 Cb 0.51 0.36 -0.16 0.00 -0.75 0.00 0.00 64.21 64.17 2jhb n SER 55 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2jhb s GLU 56 N -2.05 1.28 0.06 -1.46 2.56 -1.26 -0.16 118.70 117.67 2jhb s GLU 56 Ca 0.02 -0.61 0.02 0.00 0.00 0.00 0.00 54.97 54.40 2jhb s GLU 56 Cb -0.00 -2.17 -0.03 0.00 2.00 0.00 0.00 34.13 33.92 2jhb s GLU 56 CO 0.02 -0.53 -0.07 0.42 -0.56 0.00 0.00 175.26 174.54 2jhb s ILE 57 N 1.63 0.56 0.31 -3.70 1.01 -0.45 -1.58 121.20 118.97 2jhb s ILE 57 Ca -0.01 -1.35 0.04 0.00 0.00 0.00 0.00 60.65 59.33 2jhb s ILE 57 Cb -0.17 -0.94 -0.06 0.00 0.01 0.00 0.00 42.46 41.30 2jhb s ILE 57 CO -0.07 -0.55 0.04 0.00 0.00 0.00 0.00 174.94 174.35 2jhb s ALA 58 N -2.12 2.31 -0.13 9.38 0.00 0.11 -0.76 121.76 130.53 2jhb s ALA 58 Ca -0.03 -2.01 -0.06 0.00 0.00 0.00 0.00 51.96 49.85 2jhb s ALA 58 Cb -0.05 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 2jhb s ALA 58 CO -0.01 -0.27 0.09 -0.06 0.00 0.00 0.00 175.76 175.50 2jhb s PHE 59 N -3.27 3.40 0.03 0.00 0.40 -0.89 -1.11 117.98 116.54 2jhb s PHE 59 Ca 0.35 0.33 -0.17 0.00 -0.60 0.00 0.00 56.93 56.84 2jhb s PHE 59 Cb 0.08 -1.96 -0.26 0.00 0.51 0.00 0.00 43.02 41.39 2jhb s PHE 59 CO 0.14 0.51 1.10 0.28 0.70 0.00 0.00 175.22 177.95 2jhb h VAL 60 N 4.28 1.36 -0.82 -0.44 2.07 -1.04 0.76 116.25 122.42 2jhb h VAL 60 Ca -0.49 -2.29 0.13 0.00 0.82 0.00 0.00 66.70 64.87 2jhb h VAL 60 Cb 1.20 2.64 -0.09 0.00 -1.52 0.00 0.00 31.29 33.53 2jhb h VAL 60 CO 0.62 0.68 0.42 0.00 0.02 0.00 0.00 177.57 179.31 2jhb h ALA 61 N 0.30 1.20 0.00 1.67 0.00 -1.90 -3.32 119.26 117.21 2jhb h ALA 61 Ca -0.13 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jhb h ALA 61 Cb 1.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2jhb h ALA 61 CO 0.18 -0.06 -0.01 2.41 0.00 0.00 0.00 179.25 181.77 2jhb n THR 62 N -4.85 0.00 -2.34 0.00 -1.04 -1.25 -5.04 114.28 99.76 2jhb n THR 62 Ca 0.15 -0.27 -0.15 0.00 -2.04 0.00 0.00 64.05 61.75 2jhb n THR 62 Cb 0.38 0.98 -0.00 0.00 -1.82 0.00 0.00 70.33 69.87 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 0.58 -0.22 3.40 3.41 0.00 0.26 -4.95 105.19 107.67 2jhb n GLY 63 Ca 0.00 -0.26 -0.45 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.76 4.81 0.02 2.61 2.01 -1.24 -4.82 115.64 116.27 2jhb s THR 64 Ca 0.03 -1.17 -0.30 0.00 0.31 0.00 0.00 61.69 60.56 2jhb s THR 64 Cb -0.01 -4.58 -0.07 0.00 0.01 0.00 0.00 72.50 67.86 2jhb s THR 64 CO 0.03 -1.24 1.56 0.21 -0.69 0.00 0.00 174.62 174.49 2jhb s ASN 65 N 3.48 6.71 0.21 3.53 2.47 -1.26 -2.09 114.94 127.99 2jhb s ASN 65 Ca 0.18 2.29 0.02 0.00 0.42 0.00 0.00 52.86 55.78 2jhb s ASN 65 Cb -0.18 -2.56 -0.05 0.00 -1.45 0.00 0.00 41.25 37.02 2jhb s ASN 65 CO 0.02 -0.83 0.01 -1.48 -3.72 0.00 0.00 177.10 171.10 2jhb s LEU 66 N 2.83 2.09 -0.38 3.21 -0.00 0.06 -4.96 118.68 121.52 2jhb s LEU 66 Ca 0.70 -1.22 -0.15 0.00 -0.00 0.00 0.00 54.13 53.46 2jhb s LEU 66 Cb -0.35 -0.14 0.00 0.00 -0.00 0.00 0.00 46.19 45.70 2jhb s LEU 66 CO 0.29 -0.56 0.31 -0.44 -0.00 0.00 0.00 176.35 175.95 2jhb s SER 67 N -3.25 6.12 0.53 1.48 0.01 -1.26 -1.34 113.70 115.99 2jhb s SER 67 Ca 0.28 -0.61 -0.17 0.00 1.31 0.00 0.00 55.95 56.76 2jhb s SER 67 Cb 0.06 -2.17 -0.07 0.00 0.21 0.00 0.00 66.02 64.05 2jhb s SER 67 CO 0.07 -0.38 1.00 -0.76 0.41 0.00 0.00 173.24 173.59 2jhb s LEU 68 N 1.81 3.60 -0.40 2.44 1.43 0.77 -4.92 118.68 123.41 2jhb s LEU 68 Ca 0.07 1.64 0.02 0.00 -1.03 0.00 0.00 54.13 54.84 2jhb s LEU 68 Cb -0.18 -4.52 0.15 0.00 0.03 0.00 0.00 46.19 41.68 2jhb s LEU 68 CO 0.11 -0.74 0.27 -1.10 0.23 0.00 0.00 176.35 175.13 2jhb s GLN 69 N -4.03 0.86 -1.16 1.70 -0.21 -1.26 -0.47 119.66 115.09 2jhb s GLN 69 Ca 0.60 -1.79 -0.21 0.00 0.02 0.00 0.00 55.36 53.99 2jhb s GLN 69 Cb -0.12 -1.57 0.04 0.00 1.00 0.00 0.00 33.01 32.36 2jhb s GLN 69 CO 0.32 -1.27 1.67 -0.06 -2.12 0.00 0.00 175.29 173.83 2jhb s PHE 70 N 0.50 2.53 -0.37 0.91 0.40 -1.26 -3.33 117.98 117.35 2jhb s PHE 70 Ca 0.24 -0.95 0.05 0.00 -0.60 0.00 0.00 56.93 55.66 2jhb s PHE 70 Cb -0.12 -4.60 0.17 0.00 0.51 0.00 0.00 43.02 38.97 2jhb s PHE 70 CO -0.08 -1.79 0.50 -0.59 0.70 0.00 0.00 175.22 173.96 2jhb s PHE 71 N 5.66 -1.07 0.00 0.36 -0.71 -1.26 -4.40 117.98 116.56 2jhb s PHE 71 Ca 0.54 -0.11 0.00 0.00 -1.04 0.00 0.00 56.93 56.32 2jhb s PHE 71 Cb 0.01 -0.04 0.00 0.00 -1.21 0.00 0.00 43.02 41.79 2jhb s PHE 71 CO 0.01 -1.06 0.00 -0.35 -1.34 0.00 0.00 175.22 172.48 2jhb n PRO 72 N 4.54 0.00 -0.29 1.99 -0.04 -1.26 -4.53 135.00 135.41 2jhb n PRO 72 Ca 0.09 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.40 2jhb n PRO 72 Cb 0.51 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.94 2jhb n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jhb n ALA 73 N -3.00 1.69 -1.56 0.55 0.00 -1.26 -4.86 120.51 112.06 2jhb n ALA 73 Ca 0.00 -1.05 -0.54 0.00 0.00 0.00 0.00 53.44 51.85 2jhb n ALA 73 Cb 0.00 -2.90 -0.06 0.00 0.00 0.00 0.00 19.45 16.49 2jhb n ALA 73 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jhb n SER 74 N 5.83 1.10 -3.15 0.00 2.88 -1.26 -4.99 113.62 114.03 2jhb n SER 74 Ca 0.19 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.87 2jhb n SER 74 Cb 0.13 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 2jhb n SER 74 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 2jhb n TRP 75 N 2.08 -1.45 0.17 0.66 8.01 -1.26 -4.86 117.44 120.78 2jhb n TRP 75 Ca 0.18 0.00 0.08 0.00 -1.31 0.00 0.00 57.50 56.45 2jhb n TRP 75 Cb 0.17 0.00 0.42 0.00 -2.01 0.00 0.00 31.31 29.88 2jhb n TRP 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2jhb n GLN 76 N -0.59 0.10 0.00 -0.99 -0.00 -1.26 -4.83 117.38 109.81 2jhb n GLN 76 Ca 0.00 0.59 0.00 0.00 -0.00 0.00 0.00 57.00 57.59 2jhb n GLN 76 Cb 0.00 -2.07 0.00 0.00 -0.00 0.00 0.00 30.24 28.17 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 -1.28 1.95 2.75 2.61 0.00 -1.26 -5.10 105.19 104.87 2jhb n GLY 77 Ca -0.01 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 2jhb n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jhb n GLU 78 N 0.00 0.43 -4.12 1.61 1.02 -1.26 -4.75 120.64 113.57 2jhb n GLU 78 Ca 0.00 -2.85 -0.35 0.00 -0.02 0.00 0.00 57.16 53.94 2jhb n GLU 78 Cb 0.00 2.10 -0.04 0.00 -0.02 0.00 0.00 31.44 33.49 2jhb n GLU 78 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2jhb n GLN 79 N -0.61 -1.23 -2.20 3.49 0.00 0.34 -4.89 117.38 112.27 2jhb n GLN 79 Ca 0.03 0.18 -0.42 0.00 -0.00 0.00 0.00 57.00 56.80 2jhb n GLN 79 Cb 0.51 -3.51 -0.03 0.00 0.00 0.00 0.00 30.24 27.22 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 -7.11 4.37 0.06 3.69 6.06 -0.75 -4.93 118.95 120.34 2jhb s ARG 80 Ca 0.19 2.06 -0.19 0.00 -2.50 0.00 0.00 55.73 55.29 2jhb s ARG 80 Cb -0.10 -3.21 -0.12 0.00 0.06 0.00 0.00 34.95 31.59 2jhb s ARG 80 CO 0.96 -0.30 1.42 0.37 -2.50 0.00 0.00 175.30 175.24 2jhb h GLN 81 N 5.71 0.41 -2.62 5.12 4.15 -1.90 -3.41 115.11 122.57 2jhb h GLN 81 Ca -0.44 -0.18 -0.59 0.00 0.77 0.00 0.00 58.65 58.21 2jhb h GLN 81 Cb 1.21 -0.01 -0.39 0.00 0.21 0.00 0.00 27.48 28.50 2jhb h GLN 81 CO 0.79 0.70 -0.85 0.99 -1.93 0.00 0.00 178.83 178.54 2jhb s THR 82 N -4.57 0.44 0.69 2.39 2.01 -1.26 -5.15 115.64 110.20 2jhb s THR 82 Ca -0.14 -2.08 -0.10 0.00 0.31 0.00 0.00 61.69 59.68 2jhb s THR 82 Cb 0.06 -1.32 0.15 0.00 0.01 0.00 0.00 72.50 71.40 2jhb s THR 82 CO 0.75 -1.02 0.34 -2.65 -0.69 0.00 0.00 174.62 171.36 2jhb n PRO 83 N 3.69 -1.80 -1.88 4.92 -0.02 -1.26 -5.02 135.00 133.62 2jhb n PRO 83 Ca 0.15 -0.58 -0.30 0.00 -2.02 0.00 0.00 63.50 60.75 2jhb n PRO 83 Cb 0.39 -0.96 0.03 0.00 -0.02 0.00 0.00 33.50 32.94 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 -2.09 5.75 0.08 2.55 0.01 -1.26 -4.93 113.70 113.80 2jhb s SER 84 Ca 0.27 1.24 -0.16 0.00 1.31 0.00 0.00 55.95 58.61 2jhb s SER 84 Cb -0.05 -2.13 -0.11 0.00 0.21 0.00 0.00 66.02 63.94 2jhb s SER 84 CO 0.22 -1.16 1.38 -0.09 0.41 0.00 0.00 173.24 174.01 2jhb h ARG 85 N -0.53 0.63 0.00 12.44 2.43 -1.80 -1.62 114.38 125.93 2jhb h ARG 85 Ca -0.45 -0.35 -0.09 0.00 -0.81 0.00 0.00 59.98 58.28 2jhb h ARG 85 Cb 1.23 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 2jhb h ARG 85 CO 0.63 0.96 -0.45 1.49 -1.51 0.00 0.00 179.97 181.09 2jhb h GLU 86 N 0.33 0.00 0.73 0.20 4.81 -1.94 -3.30 114.58 115.42 2jhb h GLU 86 Ca 0.03 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2jhb h GLU 86 Cb 0.87 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.26 2jhb h GLU 86 CO 0.07 0.45 -0.35 1.88 -0.73 0.00 0.00 179.01 180.32 2jhb h TYR 87 N 0.00 -0.91 -3.69 0.92 -1.99 -1.51 -3.08 116.97 106.70 2jhb h TYR 87 Ca -0.00 -0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.63 2jhb h TYR 87 Cb 1.12 0.30 -0.12 0.00 2.00 0.00 0.00 36.73 40.03 2jhb h TYR 87 CO 0.00 -0.57 -0.23 0.08 -0.00 0.00 0.00 178.16 177.44 2jhb s VAL 88 N -4.87 0.08 -0.12 -2.88 1.01 -0.69 -2.19 120.40 110.74 2jhb s VAL 88 Ca -0.14 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 60.73 2jhb s VAL 88 Cb 0.01 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.83 2jhb s VAL 88 CO 0.43 -0.36 0.12 -0.67 0.00 0.00 0.00 175.10 174.63 2jhb n ASP 89 N -0.20 -3.08 -0.64 3.32 -0.08 -1.25 -3.99 116.55 110.63 2jhb n ASP 89 Ca -0.11 0.02 0.06 0.00 -1.51 0.00 0.00 54.79 53.25 2jhb n ASP 89 Cb 0.63 -1.80 0.16 0.00 2.34 0.00 0.00 41.12 42.45 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 -0.94 2.27 0.00 -2.67 -0.00 -1.25 -4.55 117.00 109.87 2jhb n LEU 90 Ca 0.01 -3.35 0.00 0.00 -0.00 0.00 0.00 56.01 52.66 2jhb n LEU 90 Cb 0.38 -0.41 0.00 0.00 -0.00 0.00 0.00 43.42 43.39 2jhb n LEU 90 CO 0.09 1.10 0.00 1.21 -0.00 0.00 0.00 177.39 179.80 2jhb n GLU 91 N -0.88 0.00 0.00 1.47 2.13 -1.26 -4.35 120.64 117.74 2jhb n GLU 91 Ca 0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.98 2jhb n GLU 91 Cb 0.75 -3.21 0.00 0.00 0.27 0.00 0.00 31.44 29.25 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 -1.95 0.00 -2.03 5.31 3.00 -1.26 -5.14 116.66 114.59 2jhb n ARG 92 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.65 2jhb n ARG 92 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 32.46 32.58 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 2.41 -0.27 -1.41 -0.14 4.07 -0.56 -4.93 120.64 119.82 2jhb n GLU 93 Ca 0.00 -2.08 -0.18 0.00 -0.06 0.00 0.00 57.16 54.85 2jhb n GLU 93 Cb 0.00 -0.70 -0.11 0.00 -0.06 0.00 0.00 31.44 30.57 2jhb n GLU 93 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jhb n ALA 94 N -3.13 0.28 -1.33 4.31 0.00 -1.26 -1.88 120.51 117.50 2jhb n ALA 94 Ca -0.15 -2.23 -0.11 0.00 0.00 0.00 0.00 53.44 50.95 2jhb n ALA 94 Cb 0.48 -3.26 -0.05 0.00 0.00 0.00 0.00 19.45 16.62 2jhb n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jhb n GLY 95 N 5.90 1.21 3.27 0.00 0.00 -1.26 -4.98 105.19 109.33 2jhb n GLY 95 Ca 0.40 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.84 1.38 0.16 1.61 -2.85 -0.79 -1.32 119.74 115.11 2jhb s LYS 96 Ca 0.00 -1.67 0.06 0.00 -1.00 0.00 0.00 55.97 53.36 2jhb s LYS 96 Cb 0.00 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 36.04 2jhb s LYS 96 CO 0.00 -0.49 -0.13 0.54 0.10 0.00 0.00 175.35 175.37 2jhb s VAL 97 N -3.95 1.46 0.18 1.79 0.11 -0.16 -1.49 120.40 118.34 2jhb s VAL 97 Ca 0.37 -2.03 0.03 0.00 -2.93 0.00 0.00 61.98 57.42 2jhb s VAL 97 Cb 0.05 -1.85 -0.03 0.00 -1.53 0.00 0.00 36.38 33.02 2jhb s VAL 97 CO 0.15 -0.59 0.31 -0.31 -3.33 0.00 0.00 175.10 171.33 2jhb s TYR 98 N -2.85 3.47 -0.05 1.54 1.51 -1.26 -0.75 117.35 118.96 2jhb s TYR 98 Ca 0.17 0.06 -0.09 0.00 -1.01 0.00 0.00 57.07 56.20 2jhb s TYR 98 Cb -0.01 -1.63 0.02 0.00 -0.11 0.00 0.00 41.96 40.23 2jhb s TYR 98 CO 0.04 0.49 0.23 -0.51 -1.11 0.00 0.00 175.55 174.68 2jhb s LEU 99 N -3.52 1.17 -0.29 -1.29 1.43 0.09 -4.68 118.68 111.58 2jhb s LEU 99 Ca 0.34 0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.65 2jhb s LEU 99 Cb -0.10 0.86 0.17 0.00 0.03 0.00 0.00 46.19 47.15 2jhb s LEU 99 CO 0.29 -0.22 0.58 -0.75 0.23 0.00 0.00 176.35 176.48 2jhb s LYS 100 N -0.51 0.54 -0.25 1.70 2.36 -0.93 -1.19 119.74 121.46 2jhb s LYS 100 Ca -0.06 1.03 -0.02 0.00 -2.55 0.00 0.00 55.97 54.37 2jhb s LYS 100 Cb -0.04 0.50 0.08 0.00 -1.05 0.00 0.00 37.83 37.32 2jhb s LYS 100 CO 0.01 -0.55 0.07 0.00 1.55 0.00 0.00 175.35 176.44 2jhb s ALA 101 N 2.83 1.21 0.07 3.13 0.00 -0.12 -4.26 121.76 124.62 2jhb s ALA 101 Ca 0.15 -1.17 -0.31 0.00 0.00 0.00 0.00 51.96 50.64 2jhb s ALA 101 Cb -0.14 -1.40 -0.08 0.00 0.00 0.00 0.00 23.12 21.50 2jhb s ALA 101 CO -0.20 -1.44 1.52 -1.25 0.00 0.00 0.00 175.76 174.40 2jhb s PRO 102 N 1.77 4.25 0.39 0.00 0.04 -1.21 -1.67 135.00 138.57 2jhb s PRO 102 Ca 0.04 2.19 0.08 0.00 0.04 0.00 0.00 61.00 63.35 2jhb s PRO 102 Cb -0.17 -3.46 -0.06 0.00 0.04 0.00 0.00 34.50 30.85 2jhb s PRO 102 CO -0.19 -0.62 0.09 0.00 0.04 0.00 0.00 177.00 176.33 2jhb s MET 103 N 2.06 2.11 -0.31 4.56 0.23 -0.10 -4.35 119.30 123.49 2jhb s MET 103 Ca 0.69 -1.90 0.00 0.00 -1.03 0.00 0.00 55.69 53.45 2jhb s MET 103 Cb -0.38 -1.87 0.10 0.00 -1.53 0.00 0.00 34.83 31.16 2jhb s MET 103 CO 0.30 -0.03 0.08 0.42 -2.03 0.00 0.00 175.02 173.76 2jhb s ILE 104 N -2.61 1.23 -0.04 3.16 1.01 -1.26 -3.28 121.20 119.40 2jhb s ILE 104 Ca 0.38 -1.62 0.05 0.00 0.00 0.00 0.00 60.65 59.47 2jhb s ILE 104 Cb 0.05 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 2jhb s ILE 104 CO 0.20 -0.64 -0.20 -0.76 0.00 0.00 0.00 174.94 173.54 2jhb s LEU 105 N 1.44 2.36 0.00 2.97 2.01 -1.07 -4.71 118.68 121.69 2jhb s LEU 105 Ca 0.10 -0.36 0.00 0.00 0.01 0.00 0.00 54.13 53.88 2jhb s LEU 105 Cb -0.18 -1.45 0.00 0.00 0.01 0.00 0.00 46.19 44.58 2jhb s LEU 105 CO -0.20 0.31 0.00 -3.20 1.01 0.00 0.00 176.35 174.26 2jhb n ASN 106 N 2.54 0.00 0.00 2.29 2.85 -1.26 -0.53 115.26 121.15 2jhb n ASN 106 Ca -0.17 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.30 2jhb n ASN 106 Cb 0.52 -0.50 0.00 0.00 1.24 0.00 0.00 39.78 41.04 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 -1.46 1.57 2.88 8.20 0.00 -1.26 -4.65 105.19 110.47 2jhb n GLY 107 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 0.87 -1.16 1.61 1.01 0.31 -0.41 120.40 120.64 2jhb s VAL 108 Ca 0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.57 2jhb s VAL 108 Cb 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.46 2jhb s VAL 108 CO 0.00 0.34 1.77 0.00 0.00 0.00 0.00 175.10 177.21 2jhb s VAL 110 N 7.27 2.81 0.06 0.00 -7.23 -1.21 -1.71 120.40 120.40 2jhb s VAL 110 Ca 0.59 -0.27 0.08 0.00 -1.81 0.00 0.00 61.98 60.57 2jhb s VAL 110 Cb 0.00 -3.15 -0.03 0.00 0.56 0.00 0.00 36.38 33.76 2jhb s VAL 110 CO 0.05 -0.15 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.87 2jhb s ILE 111 N -3.06 2.74 -0.01 -0.62 1.01 0.09 -0.93 121.20 120.42 2jhb s ILE 111 Ca 0.57 -1.30 -0.15 0.00 0.00 0.00 0.00 60.65 59.77 2jhb s ILE 111 Cb -0.11 -2.18 -0.06 0.00 0.01 0.00 0.00 42.46 40.13 2jhb s ILE 111 CO 0.43 0.27 0.40 0.86 0.00 0.00 0.00 174.94 176.90 2jhb s TRP 112 N -0.98 3.71 0.22 3.97 -0.00 -0.67 -0.40 118.94 124.79 2jhb s TRP 112 Ca 0.15 0.97 0.07 0.00 -0.00 0.00 0.00 56.10 57.29 2jhb s TRP 112 Cb -0.10 -2.29 -0.05 0.00 -0.00 0.00 0.00 33.47 31.03 2jhb s TRP 112 CO 0.06 0.62 -0.12 -1.59 -0.00 0.00 0.00 176.95 175.92 2jhb s LYS 113 N -0.98 1.36 0.00 5.86 -2.85 0.03 -0.94 119.74 122.22 2jhb s LYS 113 Ca 0.23 -1.62 0.00 0.00 -1.00 0.00 0.00 55.97 53.58 2jhb s LYS 113 Cb -0.16 -1.08 0.00 0.00 -2.06 0.00 0.00 37.83 34.53 2jhb s LYS 113 CO 0.13 0.14 0.00 0.41 0.10 0.00 0.00 175.35 176.13 2jhb n GLY 114 N -0.41 0.41 3.76 0.59 0.00 -0.34 -0.78 105.19 108.42 2jhb n GLY 114 Ca -0.07 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.00 3.33 -0.29 1.61 -2.14 0.46 -0.73 118.94 119.18 2jhb s TRP 115 Ca 0.00 0.32 0.02 0.00 2.66 0.00 0.00 56.10 59.10 2jhb s TRP 115 Cb 0.00 -1.84 0.07 0.00 -3.10 0.00 0.00 33.47 28.59 2jhb s TRP 115 CO 0.00 0.58 -0.03 0.42 -2.66 0.00 0.00 176.95 175.25 2jhb s ILE 116 N -0.95 2.45 0.55 0.66 -1.09 0.07 -0.94 121.20 121.95 2jhb s ILE 116 Ca 0.14 -1.74 -0.22 0.00 -2.23 0.00 0.00 60.65 56.61 2jhb s ILE 116 Cb -0.12 -2.52 -0.05 0.00 -1.58 0.00 0.00 42.46 38.20 2jhb s ILE 116 CO 0.03 -0.20 1.36 -1.81 -1.23 0.00 0.00 174.94 173.10 2jhb s ASP 117 N 1.14 5.23 0.00 3.58 1.01 0.03 -0.99 116.67 126.67 2jhb s ASP 117 Ca -0.03 2.77 0.00 0.00 0.71 0.00 0.00 52.55 56.00 2jhb s ASP 117 Cb -0.20 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.09 2jhb s ASP 117 CO -0.05 -1.60 0.88 0.18 0.21 0.00 0.00 175.17 174.80 2jhb n LEU 118 N -1.06 0.08 0.03 1.23 4.77 -0.43 -2.77 117.00 118.85 2jhb n LEU 118 Ca 0.11 -0.04 -0.01 0.00 -0.03 0.00 0.00 56.01 56.03 2jhb n LEU 118 Cb 0.45 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 2jhb n LEU 118 CO 0.53 0.02 0.41 0.45 -1.33 0.00 0.00 177.39 177.47 2jhb h HIS 119 N 0.01 -0.08 0.00 -1.77 3.86 -1.86 -3.40 115.15 111.91 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 0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.54 2jhb h HIS 119 CO 0.00 -0.05 0.00 0.54 0.86 0.00 0.00 177.93 179.28 2jhb n ARG 120 N -2.28 0.81 -2.42 2.45 5.12 -1.26 -4.97 116.66 114.12 2jhb n ARG 120 Ca -0.01 -0.74 -0.07 0.00 -1.93 0.00 0.00 57.85 55.10 2jhb n ARG 120 Cb 0.03 -0.75 0.03 0.00 -1.16 0.00 0.00 32.46 30.62 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 -0.16 -3.19 -4.70 0.55 7.99 -1.11 -4.85 117.00 111.52 2jhb n LEU 121 Ca 0.00 -0.28 -0.24 0.00 -0.01 0.00 0.00 56.01 55.48 2jhb n LEU 121 Cb 0.29 -1.62 -0.07 0.00 -0.11 0.00 0.00 43.42 41.91 2jhb n LEU 121 CO 0.00 0.10 -0.22 -1.81 -1.51 0.00 0.00 177.39 173.95 2jhb s ASP 122 N -3.37 4.45 0.00 -1.43 1.01 -1.21 -0.59 116.67 115.53 2jhb s ASP 122 Ca 0.10 -0.93 0.00 0.00 0.71 0.00 0.00 52.55 52.43 2jhb s ASP 122 Cb -0.01 -0.59 0.00 0.00 1.01 0.00 0.00 42.92 43.32 2jhb s ASP 122 CO 0.31 -0.35 0.00 0.61 0.21 0.00 0.00 175.17 175.95 2jhb n GLY 123 N -1.11 -0.54 2.92 0.21 0.00 -0.35 -0.79 105.19 105.53 2jhb n GLY 123 Ca -0.03 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 2jhb n GLY 123 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jhb s MET 124 N -1.80 0.69 0.04 1.61 -1.94 -0.12 -0.54 119.30 117.23 2jhb s MET 124 Ca 0.00 -0.14 -0.02 0.00 -1.71 0.00 0.00 55.69 53.82 2jhb s MET 124 Cb 0.00 -0.69 0.01 0.00 2.01 0.00 0.00 34.83 36.16 2jhb s MET 124 CO 0.00 0.00 0.11 0.41 -0.01 0.00 0.00 175.02 175.53 2jhb n GLY 125 N 3.62 1.59 0.00 -0.03 0.00 0.23 -0.40 105.19 110.21 2jhb n GLY 125 Ca -0.21 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2jhb n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jhb s LEU 127 N 0.00 3.97 0.20 0.00 1.43 -1.10 -0.79 118.68 122.40 2jhb s LEU 127 Ca 0.00 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 2jhb s LEU 127 Cb 0.00 -2.51 -0.05 0.00 0.03 0.00 0.00 46.19 43.66 2jhb s LEU 127 CO 0.00 -0.03 0.05 -0.70 0.23 0.00 0.00 176.35 175.90 2jhb s GLU 128 N -3.80 1.21 0.40 1.70 2.56 0.47 -4.84 118.70 116.39 2jhb s GLU 128 Ca 0.33 -1.62 -0.07 0.00 0.00 0.00 0.00 54.97 53.62 2jhb s GLU 128 Cb -0.08 -0.16 -0.05 0.00 2.00 0.00 0.00 34.13 35.83 2jhb s GLU 128 CO 0.26 -0.23 0.71 0.12 -0.56 0.00 0.00 175.26 175.56 2jhb s PHE 129 N -3.78 3.50 -0.35 5.30 5.36 -1.26 -0.73 117.98 126.02 2jhb s PHE 129 Ca 0.30 0.83 0.03 0.00 -0.96 0.00 0.00 56.93 57.13 2jhb s PHE 129 Cb 0.07 -2.28 0.10 0.00 -0.34 0.00 0.00 43.02 40.57 2jhb s PHE 129 CO 0.08 -0.08 0.07 0.34 -1.46 0.00 0.00 175.22 174.17 2jhb s ASP 130 N -3.52 4.83 0.45 6.13 -1.08 -0.70 -4.54 116.67 118.25 2jhb s ASP 130 Ca 0.47 -2.11 0.31 0.00 -0.52 0.00 0.00 52.55 50.71 2jhb s ASP 130 Cb -0.10 -1.66 1.49 0.00 -1.46 0.00 0.00 42.92 41.19 2jhb s ASP 130 CO 0.36 -0.40 1.94 -0.08 0.52 0.00 0.00 175.17 177.51 2jhb h GLU 131 N 7.68 0.00 0.00 4.34 4.81 -1.98 -0.38 114.58 129.05 2jhb h GLU 131 Ca -0.06 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.90 2jhb h GLU 131 Cb 1.03 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 2jhb h GLU 131 CO 0.54 0.00 -1.65 -1.91 -0.73 0.00 0.00 179.01 175.27 2jhb n GLU 132 N -2.68 0.56 0.25 1.92 2.13 -1.26 -3.99 120.64 117.57 2jhb n GLU 132 Ca -0.00 0.41 0.11 0.00 0.66 0.00 0.00 57.16 58.34 2jhb n GLU 132 Cb 0.17 -1.61 0.63 0.00 0.27 0.00 0.00 31.44 30.90 2jhb n GLU 132 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jhb h ARG 133 N -1.00 0.00 0.21 5.31 2.47 -1.89 0.23 114.38 119.70 2jhb h ARG 133 Ca -0.41 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.30 2jhb h ARG 133 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.63 2jhb h ARG 133 CO -0.25 0.16 -0.10 0.00 0.56 0.00 0.00 179.97 180.35 2jhb h ALA 134 N 1.84 -0.28 -0.96 0.04 0.00 -1.29 -0.48 119.26 118.12 2jhb h ALA 134 Ca -0.00 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2jhb h ALA 134 Cb 0.47 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 2jhb h ALA 134 CO 0.02 -0.65 0.63 1.96 0.00 0.00 0.00 179.25 181.21 2jhb h GLN 135 N -0.29 1.14 -0.79 0.00 4.20 -1.25 -0.28 115.11 117.84 2jhb h GLN 135 Ca -0.03 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.56 2jhb h GLN 135 Cb 0.22 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 2jhb h GLN 135 CO 0.05 0.75 0.30 0.37 -0.67 0.00 0.00 178.83 179.63 2jhb h GLN 136 N 1.17 1.18 -0.12 1.46 5.75 -0.27 0.31 115.11 124.60 2jhb h GLN 136 Ca 0.39 -0.22 -0.18 0.00 -0.15 0.00 0.00 58.65 58.49 2jhb h GLN 136 Cb 0.07 -0.19 0.01 0.00 1.07 0.00 0.00 27.48 28.45 2jhb h GLN 136 CO -0.13 0.97 -0.64 1.49 -2.65 0.00 0.00 178.83 177.87 2jhb h GLU 137 N 1.15 0.64 -0.90 1.69 4.57 -0.76 0.18 114.58 121.14 2jhb h GLU 137 Ca 0.26 -0.53 0.12 0.00 -1.18 0.00 0.00 59.36 58.03 2jhb h GLU 137 Cb 0.23 0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 28.85 2jhb h GLU 137 CO -0.02 1.15 0.53 -0.44 -1.18 0.00 0.00 179.01 179.05 2jhb h ASP 138 N 0.29 0.73 -0.09 1.04 3.32 -0.81 -0.68 116.42 120.24 2jhb h ASP 138 Ca -0.05 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 2jhb h ASP 138 Cb 1.28 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2jhb h ASP 138 CO 0.13 0.37 -0.37 0.00 -1.72 0.00 0.00 179.24 177.66 2jhb h ALA 139 N 1.52 0.16 0.00 3.45 0.00 -0.83 -3.26 119.26 120.30 2jhb h ALA 139 Ca 0.46 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jhb h ALA 139 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2jhb h ALA 139 CO -0.29 0.25 0.00 -0.07 0.00 0.00 0.00 179.25 179.13 2jhb h LEU 140 N -0.06 0.00 -3.12 0.00 3.38 -0.14 -1.92 115.31 113.45 2jhb h LEU 140 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jhb h LEU 140 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2jhb h LEU 140 CO 0.08 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.61 2jhb n ALA 141 N -1.89 2.18 -4.12 1.53 0.00 -0.31 -4.62 120.51 113.29 2jhb n ALA 141 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 2jhb n ALA 141 Cb 0.12 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.09 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 1.50 -1.21 0.00 0.00 3.00 -1.24 -4.72 117.38 114.71 2jhb n GLN 142 Ca 0.00 0.18 0.15 0.00 -0.01 0.00 0.00 57.00 57.32 2jhb n GLN 142 Cb 0.17 -3.50 0.79 0.00 0.00 0.00 0.00 30.24 27.71 2jhb n GLN 142 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00