#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 -1.99 -3.51 1.61 2.88 -1.26 -5.07 113.62 106.28 2jhb n SER 2 Ca 0.00 -3.05 -0.28 0.00 -1.33 0.00 0.00 58.87 54.21 2jhb n SER 2 Cb 0.00 1.03 -0.14 0.00 -0.75 0.00 0.00 64.21 64.35 2jhb n SER 2 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2jhb s MET 3 N 0.16 0.27 0.76 -1.46 1.00 -1.26 -5.10 119.30 113.68 2jhb s MET 3 Ca 0.33 -0.67 -0.13 0.00 0.00 0.00 0.00 55.69 55.22 2jhb s MET 3 Cb 0.18 -1.15 0.19 0.00 0.00 0.00 0.00 34.83 34.06 2jhb s MET 3 CO -0.19 -1.06 0.60 -0.35 0.00 0.00 0.00 175.02 174.02 2jhb n PRO 4 N 5.00 -2.70 0.00 2.03 -0.04 -1.26 -4.13 135.00 133.90 2jhb n PRO 4 Ca -0.02 -0.97 0.00 0.00 -0.04 0.00 0.00 63.50 62.47 2jhb n PRO 4 Cb 0.41 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 2jhb n PRO 4 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2jhb n ARG 5 N -3.69 0.00 -4.39 0.54 3.00 -1.26 -4.85 116.66 106.01 2jhb n ARG 5 Ca 0.09 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.74 2jhb n ARG 5 Cb 0.34 -0.51 -0.10 0.00 0.00 0.00 0.00 32.46 32.19 2jhb n ARG 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2jhb s VAL 6 N -1.39 0.85 0.16 5.15 -7.23 -1.26 -4.36 120.40 112.33 2jhb s VAL 6 Ca 0.00 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.21 2jhb s VAL 6 Cb 0.00 -2.70 -0.05 0.00 0.56 0.00 0.00 36.38 34.20 2jhb s VAL 6 CO 0.00 0.00 -0.09 0.68 -0.31 0.00 0.00 175.10 175.38 2jhb s VAL 7 N -3.51 1.18 0.67 1.32 -7.23 -1.20 -4.66 120.40 106.98 2jhb s VAL 7 Ca 0.37 -2.07 -0.17 0.00 -1.81 0.00 0.00 61.98 58.30 2jhb s VAL 7 Cb 0.08 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 35.10 2jhb s VAL 7 CO 0.15 -0.68 1.27 -2.84 -0.31 0.00 0.00 175.10 172.68 2jhb s PRO 8 N -3.76 2.42 -1.27 4.82 0.02 -1.26 -3.86 135.00 132.11 2jhb s PRO 8 Ca 0.19 1.98 -0.22 0.00 0.02 0.00 0.00 61.00 62.96 2jhb s PRO 8 Cb 0.03 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.73 2jhb s PRO 8 CO 0.02 -1.67 0.57 -3.47 -0.33 0.00 0.00 177.00 172.12 2jhb n ASP 9 N -2.14 -3.17 -0.34 2.53 -0.08 -1.26 -4.78 116.55 107.30 2jhb n ASP 9 Ca 0.15 -1.19 0.23 0.00 -1.51 0.00 0.00 54.79 52.46 2jhb n ASP 9 Cb 0.49 -2.24 0.48 0.00 2.34 0.00 0.00 41.12 42.19 2jhb n ASP 9 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2jhb h GLN 10 N -2.24 0.40 0.00 -0.67 7.50 -1.90 -0.32 115.11 117.89 2jhb h GLN 10 Ca -0.69 -0.02 -0.06 0.00 0.50 0.00 0.00 58.65 58.38 2jhb h GLN 10 Cb 1.39 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 28.82 2jhb h GLN 10 CO 0.55 0.27 -0.27 -0.09 -1.50 0.00 0.00 178.83 177.79 2jhb h ARG 11 N 0.42 0.00 0.17 1.46 9.65 -1.95 0.28 114.38 124.42 2jhb h ARG 11 Ca 0.64 0.00 -0.30 0.00 -1.10 0.00 0.00 59.98 59.22 2jhb h ARG 11 Cb 1.53 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 30.13 2jhb h ARG 11 CO -0.39 0.27 -1.36 1.03 2.80 0.00 0.00 179.97 182.32 2jhb h SER 12 N 0.00 0.58 0.33 -3.80 0.87 -1.49 -3.29 113.55 106.75 2jhb h SER 12 Ca -0.00 -0.63 -0.04 0.00 -1.23 0.00 0.00 61.79 59.88 2jhb h SER 12 Cb 0.86 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 2jhb h SER 12 CO 0.03 1.50 -0.20 0.50 -0.53 0.00 0.00 176.83 178.14 2jhb h LYS 13 N 0.10 0.00 -0.85 2.24 1.63 -0.78 -1.00 116.57 117.91 2jhb h LYS 13 Ca -0.19 0.00 0.13 0.00 -0.85 0.00 0.00 60.65 59.74 2jhb h LYS 13 Cb 2.05 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 33.62 2jhb h LYS 13 CO 0.23 0.20 0.55 0.35 -3.45 0.00 0.00 179.45 177.33 2jhb h PHE 14 N 0.00 0.78 0.16 1.91 3.57 -0.51 0.14 116.94 123.00 2jhb h PHE 14 Ca -0.00 0.02 -0.35 0.00 3.53 0.00 0.00 57.97 61.17 2jhb h PHE 14 Cb 0.41 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.91 2jhb h PHE 14 CO 0.00 0.31 -1.77 0.93 -2.23 0.00 0.00 178.31 175.55 2jhb h GLU 15 N 0.68 0.34 0.00 1.11 4.39 -1.56 -3.41 114.58 116.13 2jhb h GLU 15 Ca 0.42 -0.58 -0.07 0.00 0.34 0.00 0.00 59.36 59.47 2jhb h GLU 15 Cb 0.65 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 2jhb h GLU 15 CO -0.18 1.25 -0.44 -0.91 -1.16 0.00 0.00 179.01 177.57 2jhb h ASN 16 N 0.09 0.00 -1.27 1.42 2.35 -0.45 -3.38 115.58 114.35 2jhb h ASN 16 Ca -0.35 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.07 2jhb h ASN 16 Cb 2.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.44 2jhb h ASN 16 CO 0.16 0.29 1.06 -1.61 -1.65 0.00 0.00 177.43 175.68 2jhb s GLU 17 N -3.08 2.14 0.66 0.81 0.41 0.43 -4.81 118.70 115.27 2jhb s GLU 17 Ca 0.04 0.79 0.39 0.00 -0.41 0.00 0.00 54.97 55.79 2jhb s GLU 17 Cb 0.07 -4.65 2.15 0.00 -1.78 0.00 0.00 34.13 29.91 2jhb s GLU 17 CO 0.73 -3.47 2.23 1.49 -0.49 0.00 0.00 175.26 175.75 2jhb h GLU 18 N 15.87 0.00 -0.21 1.61 4.81 -1.89 0.33 114.58 135.10 2jhb h GLU 18 Ca -0.14 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.14 2jhb h GLU 18 Cb 1.15 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.47 2jhb h GLU 18 CO 1.14 0.00 -0.16 0.35 -0.73 0.00 0.00 179.01 179.61 2jhb h PHE 19 N 0.00 -0.40 -0.03 0.92 3.04 -1.93 -2.48 116.94 116.05 2jhb h PHE 19 Ca 0.01 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.88 2jhb h PHE 19 Cb 0.22 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.93 2jhb h PHE 19 CO 0.00 -0.23 -0.47 0.74 -2.02 0.00 0.00 178.31 176.33 2jhb h PHE 20 N -0.16 0.10 -0.78 0.41 0.04 -1.24 -3.04 116.94 112.26 2jhb h PHE 20 Ca 0.12 -0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.95 2jhb h PHE 20 Cb 0.35 -0.02 -0.07 0.00 2.20 0.00 0.00 35.95 38.41 2jhb h PHE 20 CO -0.31 0.54 0.45 0.00 -0.60 0.00 0.00 178.31 178.38 2jhb h ARG 21 N 0.07 0.75 -0.38 1.51 2.47 -1.29 0.32 114.38 117.83 2jhb h ARG 21 Ca 0.00 -0.05 0.01 0.00 -1.26 0.00 0.00 59.98 58.68 2jhb h ARG 21 Cb 0.86 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.99 2jhb h ARG 21 CO 0.06 0.50 0.25 0.87 0.56 0.00 0.00 179.97 182.21 2jhb h LYS 22 N 0.78 0.49 0.00 0.04 1.57 -1.36 -1.89 116.57 116.21 2jhb h LYS 22 Ca 0.37 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 2jhb h LYS 22 Cb 0.30 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2jhb h LYS 22 CO -0.22 0.33 0.00 -0.07 -0.57 0.00 0.00 179.45 178.91 2jhb h LEU 23 N 0.51 0.00-10.29 2.94 3.38 -1.39 -3.41 115.31 107.05 2jhb h LEU 23 Ca 0.14 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.63 2jhb h LEU 23 Cb -0.05 0.00 0.17 0.00 0.09 0.00 0.00 40.66 40.86 2jhb h LEU 23 CO -0.03 0.00 0.19 -0.94 0.09 0.00 0.00 178.44 177.75 2jhb s SER 24 N -5.43 2.82 0.38 -0.43 1.04 0.11 -4.28 113.70 107.90 2jhb s SER 24 Ca 0.07 1.57 0.00 0.00 0.48 0.00 0.00 55.95 58.07 2jhb s SER 24 Cb 0.08 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.97 2jhb s SER 24 CO 0.59 -3.06 0.00 0.54 0.98 0.00 0.00 173.24 172.29 2jhb n ARG 25 N -4.17 -2.34 -1.73 4.02 1.74 -1.26 -4.80 116.66 108.12 2jhb n ARG 25 Ca 0.07 1.86 -0.41 0.00 -0.77 0.00 0.00 57.85 58.60 2jhb n ARG 25 Cb 0.55 -2.67 -0.03 0.00 -1.02 0.00 0.00 32.46 29.28 2jhb n ARG 25 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2jhb s GLU 26 N -4.76 2.96 0.33 5.56 -1.05 -1.26 -4.56 118.70 115.92 2jhb s GLU 26 Ca 0.00 1.66 -0.00 0.00 -0.15 0.00 0.00 54.97 56.48 2jhb s GLU 26 Cb 0.00 -4.37 -0.01 0.00 -0.44 0.00 0.00 34.13 29.32 2jhb s GLU 26 CO 0.00 -2.30 0.42 0.00 0.95 0.00 0.00 175.26 174.33 2jhb s GLU 28 N -3.19 4.60 0.15 0.00 2.12 -1.26 -0.39 118.70 120.73 2jhb s GLU 28 Ca 0.33 1.70 0.01 0.00 0.36 0.00 0.00 54.97 57.37 2jhb s GLU 28 Cb 0.00 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 2jhb s GLU 28 CO 0.22 0.20 0.01 0.96 -0.54 0.00 0.00 175.26 176.11 2jhb s ILE 29 N -1.25 0.48 -0.08 -3.70 -4.36 0.09 -0.75 121.20 111.63 2jhb s ILE 29 Ca 0.46 -1.95 -0.30 0.00 -0.26 0.00 0.00 60.65 58.60 2jhb s ILE 29 Cb -0.29 -2.04 0.07 0.00 1.25 0.00 0.00 42.46 41.45 2jhb s ILE 29 CO 0.37 -0.52 0.69 -1.59 0.24 0.00 0.00 174.94 174.13 2jhb s LYS 30 N -3.95 1.02 0.54 0.37 -2.85 0.09 -0.90 119.74 114.06 2jhb s LYS 30 Ca 0.22 0.35 -0.21 0.00 -1.00 0.00 0.00 55.97 55.33 2jhb s LYS 30 Cb 0.07 0.48 -0.05 0.00 -2.06 0.00 0.00 37.83 36.27 2jhb s LYS 30 CO 0.02 -0.30 1.28 -0.47 0.10 0.00 0.00 175.35 175.98 2jhb s TYR 31 N -0.99 2.44 0.00 1.78 6.14 0.43 0.24 117.35 127.39 2jhb s TYR 31 Ca -0.09 1.45 0.00 0.00 0.64 0.00 0.00 57.07 59.06 2jhb s TYR 31 Cb -0.01 -3.63 0.00 0.00 0.42 0.00 0.00 41.96 38.74 2jhb s TYR 31 CO 0.09 -2.43 0.26 -2.37 0.64 0.00 0.00 175.55 171.73 2jhb n THR 32 N -1.04 0.00 0.00 4.34 5.66 -0.20 -4.72 114.28 118.32 2jhb n THR 32 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 2jhb n THR 32 Cb 0.47 1.41 0.00 0.00 -1.55 0.00 0.00 70.33 70.66 2jhb n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jhb n GLY 33 N 0.00 -0.44 0.00 1.09 0.00 -0.75 -4.63 105.19 100.46 2jhb n GLY 33 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2jhb n GLY 33 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2jhb n PHE 34 N 0.00 0.00 0.32 1.61 -0.00 -1.26 -0.19 117.46 117.94 2jhb n PHE 34 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.45 57.61 2jhb n PHE 34 Cb 0.00 -0.43 0.81 0.00 -0.00 0.00 0.00 39.48 39.86 2jhb n PHE 34 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 2jhb h ARG 35 N 0.00 0.00 -0.99 -4.13 1.12 -1.90 -2.35 114.38 106.13 2jhb h ARG 35 Ca 0.00 0.00 0.22 0.00 -1.11 0.00 0.00 59.98 59.09 2jhb h ARG 35 Cb 0.08 0.00 -0.19 0.00 -0.01 0.00 0.00 29.97 29.85 2jhb h ARG 35 CO 0.00 0.00 -0.16 0.22 -3.11 0.00 0.00 179.97 176.92 2jhb h ASP 36 N 0.00 -0.78 -4.25 -3.80 1.82 -0.84 -3.44 116.42 105.14 2jhb h ASP 36 Ca 0.02 0.29 -0.52 0.00 -0.39 0.00 0.00 57.03 56.43 2jhb h ASP 36 Cb 0.70 0.58 0.17 0.00 0.68 0.00 0.00 39.33 41.46 2jhb h ASP 36 CO -0.00 -0.34 0.29 -0.13 -1.61 0.00 0.00 179.24 177.45 2jhb s ARG 37 N -6.17 1.55 -0.01 0.28 0.52 -0.89 -4.86 118.95 109.38 2jhb s ARG 37 Ca -0.14 1.56 -0.36 0.00 -0.52 0.00 0.00 55.73 56.26 2jhb s ARG 37 Cb 0.28 -1.79 -0.15 0.00 0.52 0.00 0.00 34.95 33.81 2jhb s ARG 37 CO 0.78 -2.24 1.60 -0.35 0.02 0.00 0.00 175.30 175.12 2jhb n PRO 38 N -3.66 1.63 -0.76 3.54 -0.04 -1.26 -4.85 135.00 129.60 2jhb n PRO 38 Ca 0.12 0.59 -0.28 0.00 -0.04 0.00 0.00 63.50 63.89 2jhb n PRO 38 Cb 0.52 -2.32 0.23 0.00 -0.04 0.00 0.00 33.50 31.89 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 1.99 1.56 0.00 0.54 2.46 -1.26 -4.53 115.29 116.05 2jhb s HIS 39 Ca 0.88 1.06 0.00 0.00 0.47 0.00 0.00 55.06 57.47 2jhb s HIS 39 Cb -0.85 -3.15 0.00 0.00 -0.13 0.00 0.00 32.58 28.45 2jhb s HIS 39 CO 0.49 -3.63 0.00 -1.91 -2.47 0.00 0.00 174.74 167.23 2jhb n GLU 40 N -4.72 0.00 -2.06 2.88 2.13 -1.26 -4.94 120.64 112.67 2jhb n GLU 40 Ca 0.03 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.80 2jhb n GLU 40 Cb 0.56 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.32 2jhb n GLU 40 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2jhb n GLU 41 N -0.69 1.97 0.00 5.31 0.00 -1.26 -4.79 120.64 121.18 2jhb n GLU 41 Ca 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 57.16 53.75 2jhb n GLU 41 Cb 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 31.44 29.91 2jhb n GLU 41 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2jhb n ARG 42 N -0.51 2.13 0.05 5.31 1.85 -1.26 -4.81 116.66 119.42 2jhb n ARG 42 Ca 0.19 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.92 2jhb n ARG 42 Cb 0.90 -0.19 -0.09 0.00 -1.05 0.00 0.00 32.46 32.03 2jhb n ARG 42 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 2jhb h GLN 43 N 0.00 -0.14 -0.14 2.89 4.20 -1.93 0.99 115.11 120.98 2jhb h GLN 43 Ca 0.00 0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.56 2jhb h GLN 43 Cb 0.00 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 2jhb h GLN 43 CO 0.00 0.26 -0.59 1.15 -0.67 0.00 0.00 178.83 178.98 2jhb h THR 44 N -0.58 1.34 -0.99 -0.54 2.02 -1.96 -2.73 112.91 109.47 2jhb h THR 44 Ca -0.01 -1.88 0.10 0.00 0.77 0.00 0.00 66.41 65.39 2jhb h THR 44 Cb 0.47 1.87 -0.08 0.00 -1.74 0.00 0.00 68.15 68.67 2jhb h THR 44 CO 0.02 0.57 0.63 -0.09 0.37 0.00 0.00 175.52 177.03 2jhb h ARG 45 N 0.34 0.99 -0.68 6.66 9.65 -1.86 -2.44 114.38 127.05 2jhb h ARG 45 Ca -0.00 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 58.85 2jhb h ARG 45 Cb 1.12 -0.22 -0.04 0.00 -1.39 0.00 0.00 29.97 29.44 2jhb h ARG 45 CO 0.10 0.66 0.43 0.35 2.80 0.00 0.00 179.97 184.31 2jhb h PHE 46 N 1.02 0.80 -0.82 2.20 3.57 -0.47 0.59 116.94 123.84 2jhb h PHE 46 Ca 0.47 0.02 0.04 0.00 3.53 0.00 0.00 57.97 62.03 2jhb h PHE 46 Cb 0.40 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 2jhb h PHE 46 CO -0.00 0.46 0.52 1.96 -2.23 0.00 0.00 178.31 179.02 2jhb h GLN 47 N 0.84 0.97 -0.01 1.11 7.50 -1.50 0.62 115.11 124.64 2jhb h GLN 47 Ca 0.27 -0.06 -0.10 0.00 0.50 0.00 0.00 58.65 59.26 2jhb h GLN 47 Cb 0.01 -0.22 -0.01 0.00 0.05 0.00 0.00 27.48 27.31 2jhb h GLN 47 CO -0.10 0.64 -0.49 -0.91 -1.50 0.00 0.00 178.83 176.46 2jhb h ASN 48 N 1.00 0.02 1.02 1.46 2.35 -0.26 -1.15 115.58 120.02 2jhb h ASN 48 Ca 0.34 -0.01 -0.20 0.00 -0.55 0.00 0.00 56.30 55.88 2jhb h ASN 48 Cb 0.05 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 2jhb h ASN 48 CO -0.13 0.51 -0.99 0.00 -1.65 0.00 0.00 177.43 175.17 2jhb h ALA 49 N 1.49 0.42 -0.39 -0.83 0.00 0.46 0.12 119.26 120.53 2jhb h ALA 49 Ca -0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 54.91 53.93 2jhb h ALA 49 Cb 0.88 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2jhb h ALA 49 CO 0.06 1.19 -0.11 0.00 0.00 0.00 0.00 179.25 180.40 2jhb h ARG 51 N 0.63 0.00 -0.84 0.00 2.43 -0.90 -3.00 114.38 112.70 2jhb h ARG 51 Ca 0.11 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.44 2jhb h ARG 51 Cb 0.55 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.04 2jhb h ARG 51 CO 0.03 0.03 0.55 0.22 -1.51 0.00 0.00 179.97 179.30 2jhb h ASP 52 N 0.00 0.51 0.00 -3.80 3.58 -0.81 0.11 116.42 116.01 2jhb h ASP 52 Ca -0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2jhb h ASP 52 Cb 1.04 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2jhb h ASP 52 CO 0.00 0.25 0.00 0.61 -2.88 0.00 0.00 179.24 177.23 2jhb n GLY 53 N -1.48 0.21 3.65 -0.78 0.00 -1.13 -1.25 105.19 104.41 2jhb n GLY 53 Ca 0.17 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 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 1.54 -1.03 1.61 -4.01 -1.26 -4.56 116.66 108.95 2jhb n ARG 54 Ca 0.00 0.55 0.00 0.00 -1.04 0.00 0.00 57.85 57.36 2jhb n ARG 54 Cb 0.00 -2.18 0.00 0.00 -3.04 0.00 0.00 32.46 27.24 2jhb n ARG 54 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2jhb n SER 55 N 0.30 0.32 -3.49 2.89 2.88 0.90 -4.93 113.62 112.48 2jhb n SER 55 Ca 0.09 -0.51 -0.24 0.00 -1.33 0.00 0.00 58.87 56.87 2jhb n SER 55 Cb 0.40 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.73 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 -0.54 0.23 -0.01 -1.46 2.56 -1.26 -0.92 118.70 117.29 2jhb s GLU 56 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 54.97 54.67 2jhb s GLU 56 Cb 0.00 -1.03 0.00 0.00 2.00 0.00 0.00 34.13 35.10 2jhb s GLU 56 CO 0.00 -0.97 -0.04 0.42 -0.56 0.00 0.00 175.26 174.10 2jhb s ILE 57 N 2.21 0.39 0.38 -3.70 1.01 0.03 -1.03 121.20 120.49 2jhb s ILE 57 Ca 0.09 -0.17 0.08 0.00 0.00 0.00 0.00 60.65 60.64 2jhb s ILE 57 Cb -0.15 -0.36 -0.03 0.00 0.01 0.00 0.00 42.46 41.93 2jhb s ILE 57 CO -0.32 0.13 0.28 0.00 0.00 0.00 0.00 174.94 175.03 2jhb s ALA 58 N 0.14 3.83 0.34 9.38 0.00 0.14 -2.25 121.76 133.34 2jhb s ALA 58 Ca -0.01 -1.86 -0.03 0.00 0.00 0.00 0.00 51.96 50.06 2jhb s ALA 58 Cb -0.05 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 2jhb s ALA 58 CO -0.00 -0.11 0.60 -0.06 0.00 0.00 0.00 175.76 176.18 2jhb s PHE 59 N -2.45 3.50 -0.22 0.00 0.40 -0.49 -0.73 117.98 117.99 2jhb s PHE 59 Ca 0.43 0.58 -0.03 0.00 -0.60 0.00 0.00 56.93 57.31 2jhb s PHE 59 Cb -0.03 -2.07 -0.19 0.00 0.51 0.00 0.00 43.02 41.24 2jhb s PHE 59 CO 0.26 0.07 -0.07 0.28 0.70 0.00 0.00 175.22 176.46 2jhb n VAL 60 N -1.47 1.57 -0.30 -0.44 0.31 0.07 -3.28 118.33 114.79 2jhb n VAL 60 Ca -0.02 -0.55 0.17 0.00 -0.01 0.00 0.00 64.34 63.92 2jhb n VAL 60 Cb 0.55 -1.57 0.42 0.00 -0.91 0.00 0.00 33.84 32.33 2jhb n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jhb h ALA 61 N -0.10 1.97 0.00 3.52 0.00 -1.89 -3.20 119.26 119.57 2jhb h ALA 61 Ca -0.54 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2jhb h ALA 61 Cb 1.88 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.63 2jhb h ALA 61 CO -0.08 -0.31 0.00 2.41 0.00 0.00 0.00 179.25 181.27 2jhb n THR 62 N -4.63 0.00 -1.47 0.00 -1.04 -1.26 -5.10 114.28 100.78 2jhb n THR 62 Ca 0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 2jhb n THR 62 Cb 0.66 1.20 0.00 0.00 -1.82 0.00 0.00 70.33 70.37 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 0.00 -0.31 2.83 3.41 0.00 -1.21 -5.06 105.19 104.86 2jhb n GLY 63 Ca 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.80 1.08 0.20 2.61 2.01 -1.22 -4.91 115.64 112.62 2jhb s THR 64 Ca 0.00 -1.05 -0.33 0.00 0.31 0.00 0.00 61.69 60.62 2jhb s THR 64 Cb 0.00 -1.53 -0.13 0.00 0.01 0.00 0.00 72.50 70.85 2jhb s THR 64 CO 0.00 -0.25 1.54 -3.20 -0.69 0.00 0.00 174.62 172.02 2jhb n ASN 65 N 4.82 3.12 -3.75 3.53 5.15 -1.26 -1.39 115.26 125.48 2jhb n ASN 65 Ca -0.09 1.10 -0.13 0.00 -0.60 0.00 0.00 54.58 54.87 2jhb n ASN 65 Cb 0.45 -1.45 -0.13 0.00 -0.53 0.00 0.00 39.78 38.12 2jhb n ASN 65 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2jhb s LEU 66 N 0.58 0.64 -0.55 1.20 0.20 -0.96 -4.94 118.68 114.85 2jhb s LEU 66 Ca 0.74 0.47 -0.23 0.00 0.69 0.00 0.00 54.13 55.80 2jhb s LEU 66 Cb -0.64 0.67 0.05 0.00 -0.43 0.00 0.00 46.19 45.84 2jhb s LEU 66 CO 0.42 -0.14 0.86 -0.44 -0.29 0.00 0.00 176.35 176.75 2jhb s SER 67 N 0.99 6.29 0.10 3.68 0.01 -1.26 -0.79 113.70 122.72 2jhb s SER 67 Ca -0.07 -0.56 -0.30 0.00 1.31 0.00 0.00 55.95 56.33 2jhb s SER 67 Cb -0.09 -2.39 -0.06 0.00 0.21 0.00 0.00 66.02 63.69 2jhb s SER 67 CO -0.06 -1.15 1.20 -0.76 0.41 0.00 0.00 173.24 172.88 2jhb s LEU 68 N 3.59 4.40 -0.22 2.44 1.43 -0.10 -4.84 118.68 125.39 2jhb s LEU 68 Ca 0.25 2.09 -0.03 0.00 -1.03 0.00 0.00 54.13 55.41 2jhb s LEU 68 Cb -0.15 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 42.48 2jhb s LEU 68 CO 0.16 -0.43 -0.06 -1.10 0.23 0.00 0.00 176.35 175.15 2jhb s GLN 69 N 0.62 3.31 -0.74 1.70 -0.21 -1.26 -0.07 119.66 123.00 2jhb s GLN 69 Ca 0.57 -0.66 0.01 0.00 0.02 0.00 0.00 55.36 55.29 2jhb s GLN 69 Cb -0.31 -2.95 0.36 0.00 1.00 0.00 0.00 33.01 31.11 2jhb s GLN 69 CO 0.31 -0.21 1.61 1.19 -2.12 0.00 0.00 175.29 176.08 2jhb n PHE 70 N 4.77 3.19 -3.80 0.91 3.01 -1.26 -3.90 117.46 120.38 2jhb n PHE 70 Ca -0.18 -2.79 -0.35 0.00 1.01 0.00 0.00 57.45 55.14 2jhb n PHE 70 Cb 0.51 -0.81 -0.11 0.00 -0.01 0.00 0.00 39.48 39.05 2jhb n PHE 70 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2jhb s PHE 71 N -3.91 3.51 0.07 1.38 0.40 -1.26 -4.73 117.98 113.43 2jhb s PHE 71 Ca 0.48 -2.64 -0.01 0.00 -0.60 0.00 0.00 56.93 54.15 2jhb s PHE 71 Cb 0.36 -3.15 0.02 0.00 0.51 0.00 0.00 43.02 40.76 2jhb s PHE 71 CO -0.27 -0.91 0.07 -0.35 0.70 0.00 0.00 175.22 174.47 2jhb n PRO 72 N 4.06 -0.80 0.28 0.24 -0.04 -1.26 -4.74 135.00 132.75 2jhb n PRO 72 Ca 0.02 -0.11 0.19 0.00 -0.04 0.00 0.00 63.50 63.56 2jhb n PRO 72 Cb 0.39 -0.09 0.95 0.00 -0.04 0.00 0.00 33.50 34.71 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 -2.03 1.00 -0.00 0.55 0.00 -1.98 0.02 119.26 116.82 2jhb h ALA 73 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jhb h ALA 73 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jhb h ALA 73 CO 0.02 0.00 -0.10 0.45 0.00 0.00 0.00 179.25 179.61 2jhb n SER 74 N -2.89 0.28 -0.59 0.00 2.88 -1.26 -5.07 113.62 106.97 2jhb n SER 74 Ca -0.02 -0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 2jhb n SER 74 Cb 0.13 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 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 -1.19 -1.54 0.00 0.66 7.02 -0.01 -5.01 117.44 117.37 2jhb n TRP 75 Ca 0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.60 2jhb n TRP 75 Cb 0.29 0.19 0.00 0.00 -2.42 0.00 0.00 31.31 29.37 2jhb n TRP 75 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 2jhb n GLN 76 N -1.17 0.00 -2.14 -0.99 1.13 -1.26 -4.48 117.38 108.46 2jhb n GLN 76 Ca 0.00 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.04 2jhb n GLN 76 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 2jhb n GLN 76 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jhb n GLY 77 N 0.34 -2.43 1.05 1.08 0.00 -1.26 -4.68 105.19 99.29 2jhb n GLY 77 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2jhb n GLY 77 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jhb n GLU 78 N 0.02 -2.45 -4.01 1.61 0.00 -1.26 -4.84 120.64 109.71 2jhb n GLU 78 Ca 0.03 1.91 -0.30 0.00 0.00 0.00 0.00 57.16 58.80 2jhb n GLU 78 Cb 0.10 -1.90 -0.02 0.00 0.00 0.00 0.00 31.44 29.62 2jhb n GLU 78 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 2jhb n GLN 79 N 0.49 -2.17 -1.40 5.31 7.27 -0.38 -4.65 117.38 121.85 2jhb n GLN 79 Ca 0.00 0.31 0.06 0.00 0.07 0.00 0.00 57.00 57.43 2jhb n GLN 79 Cb 0.00 -4.05 -0.03 0.00 2.41 0.00 0.00 30.24 28.57 2jhb n GLN 79 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2jhb n ARG 80 N -4.48 -3.08 0.00 3.69 1.85 0.38 -4.88 116.66 110.14 2jhb n ARG 80 Ca -0.26 2.44 0.00 0.00 -1.00 0.00 0.00 57.85 59.02 2jhb n ARG 80 Cb 0.66 -3.31 0.00 0.00 -1.05 0.00 0.00 32.46 28.76 2jhb n ARG 80 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 2jhb n GLN 81 N -3.15 0.00 -3.42 2.89 -0.06 -1.26 -4.96 117.38 107.42 2jhb n GLN 81 Ca -0.03 0.00 -0.27 0.00 -2.00 0.00 0.00 57.00 54.70 2jhb n GLN 81 Cb 0.46 0.00 -0.11 0.00 -4.06 0.00 0.00 30.24 26.53 2jhb n GLN 81 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2jhb s THR 82 N 0.00 0.18 1.19 1.69 2.01 -1.26 -5.13 115.64 114.32 2jhb s THR 82 Ca 0.00 -2.06 -0.13 0.00 0.31 0.00 0.00 61.69 59.80 2jhb s THR 82 Cb 0.00 -1.14 0.30 0.00 0.01 0.00 0.00 72.50 71.67 2jhb s THR 82 CO 0.00 -1.07 1.02 -2.84 -0.69 0.00 0.00 174.62 171.04 2jhb s PRO 83 N 0.66 -1.14 0.94 4.92 0.02 -1.26 -5.05 135.00 134.09 2jhb s PRO 83 Ca 0.24 0.75 -0.14 0.00 0.02 0.00 0.00 61.00 61.88 2jhb s PRO 83 Cb -0.11 -1.53 0.20 0.00 0.02 0.00 0.00 34.50 33.08 2jhb s PRO 83 CO -0.08 -3.85 1.28 -1.12 -0.33 0.00 0.00 177.00 172.91 2jhb s SER 84 N -2.57 3.17 0.07 2.53 0.01 -1.26 -4.88 113.70 110.77 2jhb s SER 84 Ca 0.68 0.08 0.05 0.00 1.31 0.00 0.00 55.95 58.08 2jhb s SER 84 Cb -0.24 -0.13 -0.23 0.00 0.21 0.00 0.00 66.02 65.63 2jhb s SER 84 CO 0.64 -2.68 1.09 0.03 0.41 0.00 0.00 173.24 172.73 2jhb h ARG 85 N -1.51 0.06 0.00 12.44 3.08 -1.79 -1.85 114.38 124.81 2jhb h ARG 85 Ca -0.43 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.52 2jhb h ARG 85 Cb 1.23 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2jhb h ARG 85 CO 0.35 0.94 0.00 -1.91 -1.07 0.00 0.00 179.97 178.28 2jhb n GLU 86 N -3.32 0.24 0.00 0.04 4.07 -1.26 -4.27 120.64 116.13 2jhb n GLU 86 Ca -0.06 0.12 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 2jhb n GLU 86 Cb 0.98 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.86 2jhb n GLU 86 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05 2jhb n TYR 87 N -1.21 0.00 -3.81 4.31 4.19 -1.19 -3.35 117.16 116.10 2jhb n TYR 87 Ca 0.07 0.00 -0.15 0.00 3.31 0.00 0.00 57.90 61.13 2jhb n TYR 87 Cb 0.09 0.03 -0.16 0.00 0.49 0.00 0.00 39.34 39.79 2jhb n TYR 87 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2jhb s VAL 88 N -0.62 -0.02 0.04 2.97 1.01 -0.70 -2.57 120.40 120.51 2jhb s VAL 88 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2jhb s VAL 88 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.28 2jhb s VAL 88 CO 0.00 0.09 0.00 -0.67 0.00 0.00 0.00 175.10 174.52 2jhb n ASP 89 N 4.05 -6.32 -1.29 3.32 -0.08 -1.26 -4.51 116.55 110.46 2jhb n ASP 89 Ca -0.26 1.01 0.02 0.00 -1.51 0.00 0.00 54.79 54.05 2jhb n ASP 89 Cb 0.51 -3.43 0.00 0.00 2.34 0.00 0.00 41.12 40.55 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 1.07 0.56 0.00 -2.67 -0.00 -1.26 -4.39 117.00 110.30 2jhb n LEU 90 Ca 0.00 -1.87 0.00 0.00 -0.00 0.00 0.00 56.01 54.14 2jhb n LEU 90 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2jhb n LEU 90 CO 0.00 0.64 0.00 1.21 -0.00 0.00 0.00 177.39 179.24 2jhb n GLU 91 N 0.36 0.00 0.00 1.47 2.13 -1.26 -4.31 120.64 119.02 2jhb n GLU 91 Ca -0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2jhb n GLU 91 Cb 1.02 -3.17 0.00 0.00 0.27 0.00 0.00 31.44 29.55 2jhb n GLU 91 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2jhb n ARG 92 N -1.94 0.00 -0.36 5.31 5.12 -1.26 -5.15 116.66 118.38 2jhb n ARG 92 Ca 0.00 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.90 2jhb n ARG 92 Cb 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.31 2jhb n ARG 92 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 2jhb n GLU 93 N 0.95 0.11 -2.03 5.56 4.07 -0.54 -4.93 120.64 123.82 2jhb n GLU 93 Ca 0.00 -0.18 -0.27 0.00 -0.06 0.00 0.00 57.16 56.65 2jhb n GLU 93 Cb 0.00 -0.09 -0.06 0.00 -0.06 0.00 0.00 31.44 31.23 2jhb n GLU 93 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jhb s ALA 94 N -3.61 1.69 0.00 4.31 0.00 -1.26 -3.62 121.76 119.27 2jhb s ALA 94 Ca 0.06 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.06 2jhb s ALA 94 Cb -0.00 -4.65 0.00 0.00 0.00 0.00 0.00 23.12 18.47 2jhb s ALA 94 CO 0.04 -5.23 0.00 0.41 0.00 0.00 0.00 175.76 170.98 2jhb n GLY 95 N 6.08 0.37 3.33 0.00 0.00 -1.26 -4.96 105.19 108.75 2jhb n GLY 95 Ca 0.44 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.75 1.44 0.12 1.61 -2.85 -1.24 -1.41 119.74 116.66 2jhb s LYS 96 Ca 0.00 -1.78 0.08 0.00 -1.00 0.00 0.00 55.97 53.27 2jhb s LYS 96 Cb 0.00 -0.32 -0.04 0.00 -2.06 0.00 0.00 37.83 35.42 2jhb s LYS 96 CO 0.00 -0.29 -0.21 0.54 0.10 0.00 0.00 175.35 175.50 2jhb s VAL 97 N -3.71 1.77 0.13 1.79 0.11 0.04 -1.47 120.40 119.06 2jhb s VAL 97 Ca 0.38 -1.64 -0.12 0.00 -2.93 0.00 0.00 61.98 57.67 2jhb s VAL 97 Cb 0.08 -1.65 -0.06 0.00 -1.53 0.00 0.00 36.38 33.22 2jhb s VAL 97 CO 0.14 -0.11 0.49 -0.31 -3.33 0.00 0.00 175.10 171.98 2jhb s TYR 98 N -1.35 3.57 -0.20 1.54 1.51 -1.26 -0.70 117.35 120.47 2jhb s TYR 98 Ca 0.09 0.92 -0.07 0.00 -1.01 0.00 0.00 57.07 57.00 2jhb s TYR 98 Cb -0.09 -2.26 0.09 0.00 -0.11 0.00 0.00 41.96 39.58 2jhb s TYR 98 CO 0.05 0.45 0.42 -1.17 -1.11 0.00 0.00 175.55 174.19 2jhb s LEU 99 N -2.05 -0.58 -0.09 -1.29 1.98 -0.66 -4.53 118.68 111.46 2jhb s LEU 99 Ca 0.37 0.99 -0.25 0.00 -2.89 0.00 0.00 54.13 52.35 2jhb s LEU 99 Cb -0.14 1.37 0.06 0.00 0.66 0.00 0.00 46.19 48.13 2jhb s LEU 99 CO 0.19 -0.23 0.58 -0.75 -1.89 0.00 0.00 176.35 174.26 2jhb s LYS 100 N 2.45 0.89 -0.29 1.98 2.20 -1.06 -0.61 119.74 125.29 2jhb s LYS 100 Ca -0.03 0.32 -0.14 0.00 -0.36 0.00 0.00 55.97 55.76 2jhb s LYS 100 Cb -0.11 0.42 0.10 0.00 -1.51 0.00 0.00 37.83 36.73 2jhb s LYS 100 CO -0.13 -0.23 0.72 0.00 -0.36 0.00 0.00 175.35 175.35 2jhb s ALA 101 N -0.82 -2.01 -0.00 3.13 0.00 0.14 -4.52 121.76 117.68 2jhb s ALA 101 Ca -0.09 2.37 -0.30 0.00 0.00 0.00 0.00 51.96 53.94 2jhb s ALA 101 Cb -0.02 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 2jhb s ALA 101 CO 0.06 -0.55 1.31 -1.25 0.00 0.00 0.00 175.76 175.34 2jhb s PRO 102 N 1.98 4.33 0.20 0.00 0.04 -1.25 -0.98 135.00 139.31 2jhb s PRO 102 Ca -0.09 1.85 0.06 0.00 0.04 0.00 0.00 61.00 62.87 2jhb s PRO 102 Cb -0.07 -3.52 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 2jhb s PRO 102 CO -0.19 -0.49 0.14 -1.64 0.04 0.00 0.00 177.00 174.86 2jhb s MET 103 N 2.10 2.85 -0.38 4.56 -1.94 -0.01 -4.58 119.30 121.90 2jhb s MET 103 Ca 0.61 -0.96 0.01 0.00 -1.71 0.00 0.00 55.69 53.63 2jhb s MET 103 Cb -0.29 -2.58 0.12 0.00 2.01 0.00 0.00 34.83 34.09 2jhb s MET 103 CO 0.25 0.45 0.17 0.42 -0.01 0.00 0.00 175.02 176.30 2jhb s ILE 104 N -1.89 1.20 -0.17 2.53 1.01 -1.26 -1.44 121.20 121.18 2jhb s ILE 104 Ca 0.31 -2.04 -0.00 0.00 0.00 0.00 0.00 60.65 58.92 2jhb s ILE 104 Cb -0.09 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.51 2jhb s ILE 104 CO 0.23 -0.79 -0.14 -0.76 0.00 0.00 0.00 174.94 173.48 2jhb s LEU 105 N 0.94 2.47 0.00 2.97 2.01 -0.69 -4.56 118.68 121.82 2jhb s LEU 105 Ca 0.14 -0.50 0.00 0.00 0.01 0.00 0.00 54.13 53.78 2jhb s LEU 105 Cb -0.21 -1.57 0.00 0.00 0.01 0.00 0.00 46.19 44.41 2jhb s LEU 105 CO -0.11 0.05 0.00 -3.20 1.01 0.00 0.00 176.35 174.10 2jhb n ASN 106 N 4.30 0.00 0.00 2.29 2.85 -1.26 -1.25 115.26 122.20 2jhb n ASN 106 Ca -0.19 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.28 2jhb n ASN 106 Cb 0.51 -0.24 0.00 0.00 1.24 0.00 0.00 39.78 41.29 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 -0.94 0.19 3.63 8.20 0.00 -1.26 -4.54 105.19 110.47 2jhb n GLY 107 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.93 4.78 -0.71 1.61 1.01 -0.38 -3.21 120.40 122.57 2jhb s VAL 108 Ca 0.00 1.50 -0.27 0.00 0.00 0.00 0.00 61.98 63.21 2jhb s VAL 108 Cb 0.00 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.23 2jhb s VAL 108 CO 0.00 -0.17 1.39 0.00 0.00 0.00 0.00 175.10 176.32 2jhb s VAL 110 N 6.36 4.37 -0.34 0.00 -7.23 -0.52 -1.18 120.40 121.87 2jhb s VAL 110 Ca 0.41 -0.55 -0.09 0.00 -1.81 0.00 0.00 61.98 59.94 2jhb s VAL 110 Cb -0.09 -3.60 0.02 0.00 0.56 0.00 0.00 36.38 33.27 2jhb s VAL 110 CO 0.16 -0.39 0.15 -0.63 -0.31 0.00 0.00 175.10 174.09 2jhb s ILE 111 N -2.43 4.28 0.04 -0.62 1.01 0.60 -0.83 121.20 123.25 2jhb s ILE 111 Ca 0.45 -0.81 -0.30 0.00 0.00 0.00 0.00 60.65 59.99 2jhb s ILE 111 Cb -0.10 -3.33 -0.06 0.00 0.01 0.00 0.00 42.46 38.99 2jhb s ILE 111 CO 0.36 -0.11 1.31 0.86 0.00 0.00 0.00 174.94 177.36 2jhb s TRP 112 N 1.52 3.17 0.12 3.97 -0.00 -0.15 -0.30 118.94 127.26 2jhb s TRP 112 Ca 0.02 1.05 0.01 0.00 -0.00 0.00 0.00 56.10 57.18 2jhb s TRP 112 Cb -0.18 -3.56 -0.04 0.00 -0.00 0.00 0.00 33.47 29.69 2jhb s TRP 112 CO 0.05 -1.91 -0.03 -1.59 -0.00 0.00 0.00 176.95 173.47 2jhb s LYS 113 N 1.67 0.89 0.00 5.86 0.00 -0.37 -0.69 119.74 127.11 2jhb s LYS 113 Ca 0.61 -1.39 0.00 0.00 0.00 0.00 0.00 55.97 55.19 2jhb s LYS 113 Cb -0.31 -0.12 0.00 0.00 0.00 0.00 0.00 37.83 37.40 2jhb s LYS 113 CO 0.27 -0.09 0.00 0.41 0.00 0.00 0.00 175.35 175.95 2jhb n GLY 114 N -0.09 -0.89 3.10 0.59 0.00 0.22 -1.31 105.19 106.81 2jhb n GLY 114 Ca -0.10 -1.25 -0.08 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.94 0.57 -0.20 1.61 -2.14 0.58 -1.65 118.94 114.76 2jhb s TRP 115 Ca 0.00 -0.99 -0.02 0.00 2.66 0.00 0.00 56.10 57.75 2jhb s TRP 115 Cb 0.00 -0.40 0.06 0.00 -3.10 0.00 0.00 33.47 30.03 2jhb s TRP 115 CO 0.00 -0.32 0.02 0.42 -2.66 0.00 0.00 176.95 174.41 2jhb s ILE 116 N -3.65 0.76 0.45 0.66 -1.09 0.12 -1.31 121.20 117.14 2jhb s ILE 116 Ca 0.06 -0.72 -0.24 0.00 -2.23 0.00 0.00 60.65 57.52 2jhb s ILE 116 Cb 0.06 -1.21 -0.07 0.00 -1.58 0.00 0.00 42.46 39.65 2jhb s ILE 116 CO -0.08 -0.19 1.22 -0.62 -1.23 0.00 0.00 174.94 174.04 2jhb s ASP 117 N 1.75 6.14 -0.00 3.58 -1.08 -0.43 -0.78 116.67 125.85 2jhb s ASP 117 Ca -0.02 2.45 0.00 0.00 -0.52 0.00 0.00 52.55 54.46 2jhb s ASP 117 Cb -0.18 -2.62 0.00 0.00 -1.46 0.00 0.00 42.92 38.67 2jhb s ASP 117 CO -0.08 -0.95 0.99 0.18 0.52 0.00 0.00 175.17 175.83 2jhb n LEU 118 N -0.33 0.04 0.32 -1.34 4.77 -0.50 -1.76 117.00 118.19 2jhb n LEU 118 Ca 0.06 -0.02 -0.16 0.00 -0.03 0.00 0.00 56.01 55.87 2jhb n LEU 118 Cb 0.46 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 2jhb n LEU 118 CO 0.51 0.01 0.52 1.12 -1.33 0.00 0.00 177.39 178.22 2jhb h HIS 119 N 0.02 -0.75 0.00 -1.77 2.07 -1.86 -3.40 115.15 109.46 2jhb h HIS 119 Ca 0.00 -0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.50 2jhb h HIS 119 Cb 0.02 0.25 0.00 0.00 2.57 0.00 0.00 27.41 30.24 2jhb h HIS 119 CO 0.00 -0.41 0.00 -2.13 -3.07 0.00 0.00 177.93 172.32 2jhb n ARG 120 N -5.37 0.10 -3.11 5.12 3.00 -1.25 -4.99 116.66 110.17 2jhb n ARG 120 Ca -0.12 -0.35 -0.14 0.00 -0.00 0.00 0.00 57.85 57.24 2jhb n ARG 120 Cb 0.35 -0.54 0.06 0.00 0.00 0.00 0.00 32.46 32.33 2jhb n ARG 120 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2jhb n LEU 121 N -0.02 -3.19 -4.35 6.15 7.99 -0.72 -4.78 117.00 118.08 2jhb n LEU 121 Ca 0.00 -0.40 -0.20 0.00 -0.01 0.00 0.00 56.01 55.40 2jhb n LEU 121 Cb 0.37 -2.27 -0.10 0.00 -0.11 0.00 0.00 43.42 41.31 2jhb n LEU 121 CO 0.00 0.35 -0.46 -1.81 -1.51 0.00 0.00 177.39 173.97 2jhb s ASP 122 N -3.58 2.69 0.00 -1.43 1.01 -1.18 -0.43 116.67 113.75 2jhb s ASP 122 Ca 0.20 -0.97 0.00 0.00 0.71 0.00 0.00 52.55 52.48 2jhb s ASP 122 Cb -0.09 -0.16 0.00 0.00 1.01 0.00 0.00 42.92 43.69 2jhb s ASP 122 CO 0.50 -0.11 0.00 0.61 0.21 0.00 0.00 175.17 176.38 2jhb n GLY 123 N -0.20 -0.68 3.00 0.21 0.00 -0.08 -1.32 105.19 106.13 2jhb n GLY 123 Ca -0.09 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.02 0.63 0.02 1.61 -1.94 -0.43 -0.73 119.30 117.44 2jhb s MET 124 Ca 0.00 -0.29 -0.06 0.00 -1.71 0.00 0.00 55.69 53.63 2jhb s MET 124 Cb 0.00 -0.60 0.02 0.00 2.01 0.00 0.00 34.83 36.25 2jhb s MET 124 CO 0.00 0.16 0.27 0.41 -0.01 0.00 0.00 175.02 175.85 2jhb n GLY 125 N 2.84 0.82 0.00 -0.03 0.00 0.48 -0.31 105.19 109.00 2jhb n GLY 125 Ca -0.13 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 3.53 0.29 0.00 1.43 -1.26 -1.23 118.68 121.44 2jhb s LEU 127 Ca 0.00 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 52.78 2jhb s LEU 127 Cb 0.00 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 2jhb s LEU 127 CO 0.00 0.02 0.22 -0.70 0.23 0.00 0.00 176.35 176.12 2jhb s GLU 128 N -3.43 1.58 0.44 1.70 2.56 0.59 -4.61 118.70 117.53 2jhb s GLU 128 Ca 0.31 -1.90 -0.03 0.00 0.00 0.00 0.00 54.97 53.34 2jhb s GLU 128 Cb -0.08 0.23 -0.03 0.00 2.00 0.00 0.00 34.13 36.24 2jhb s GLU 128 CO 0.22 -0.55 0.71 0.12 -0.56 0.00 0.00 175.26 175.20 2jhb s PHE 129 N -3.66 3.53 -0.50 5.30 5.36 -1.26 -0.29 117.98 126.46 2jhb s PHE 129 Ca 0.39 0.66 0.03 0.00 -0.96 0.00 0.00 56.93 57.05 2jhb s PHE 129 Cb 0.04 -2.18 0.14 0.00 -0.34 0.00 0.00 43.02 40.68 2jhb s PHE 129 CO 0.22 -0.16 0.30 0.34 -1.46 0.00 0.00 175.22 174.45 2jhb s ASP 130 N -4.09 3.83 0.09 6.13 -1.08 -0.32 -4.29 116.67 116.94 2jhb s ASP 130 Ca 0.45 -2.98 -0.26 0.00 -0.52 0.00 0.00 52.55 49.24 2jhb s ASP 130 Cb -0.10 -1.24 -0.14 0.00 -1.46 0.00 0.00 42.92 39.98 2jhb s ASP 130 CO 0.42 -0.22 1.69 -0.08 0.52 0.00 0.00 175.17 177.50 2jhb h GLU 131 N 6.34 -0.35 -0.24 4.34 4.81 -1.99 0.70 114.58 128.20 2jhb h GLU 131 Ca 0.03 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 2jhb h GLU 131 Cb 0.89 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 2jhb h GLU 131 CO 0.57 -0.23 -0.37 1.49 -0.73 0.00 0.00 179.01 179.74 2jhb h GLU 132 N -0.36 0.54 -0.03 1.92 4.57 -1.97 0.21 114.58 119.45 2jhb h GLU 132 Ca -0.02 -0.26 -0.22 0.00 -1.18 0.00 0.00 59.36 57.69 2jhb h GLU 132 Cb 0.31 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 2jhb h GLU 132 CO 0.01 0.83 -0.89 -0.09 -1.18 0.00 0.00 179.01 177.69 2jhb h ARG 133 N 0.45 0.47 -0.66 1.92 9.65 -1.95 -1.40 114.38 122.87 2jhb h ARG 133 Ca 0.05 -0.47 0.01 0.00 -1.10 0.00 0.00 59.98 58.46 2jhb h ARG 133 Cb 0.85 0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.52 2jhb h ARG 133 CO 0.07 1.11 0.43 0.00 2.80 0.00 0.00 179.97 184.38 2jhb h ALA 134 N 0.74 0.84 -0.95 2.80 0.00 -0.52 0.75 119.26 122.90 2jhb h ALA 134 Ca -0.07 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2jhb h ALA 134 Cb 1.51 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 2jhb h ALA 134 CO 0.16 0.27 0.63 1.96 0.00 0.00 0.00 179.25 182.27 2jhb h GLN 135 N 0.89 1.22 -0.20 0.00 4.20 -0.89 -0.30 115.11 120.04 2jhb h GLN 135 Ca 0.24 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 2jhb h GLN 135 Cb -0.09 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.40 2jhb h GLN 135 CO -0.05 0.81 0.04 0.37 -0.67 0.00 0.00 178.83 179.32 2jhb h GLN 136 N 1.25 0.32 0.00 1.46 -0.00 -0.23 -2.01 115.11 115.91 2jhb h GLN 136 Ca 0.36 -0.08 -0.10 0.00 -0.00 0.00 0.00 58.65 58.82 2jhb h GLN 136 Cb -0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.34 2jhb h GLN 136 CO -0.09 0.47 -0.50 1.49 0.00 0.00 0.00 178.83 180.19 2jhb h GLU 137 N 0.13 0.00 -0.37 1.69 4.57 -0.65 -0.50 114.58 119.45 2jhb h GLU 137 Ca 0.06 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 2jhb h GLU 137 Cb 0.29 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 2jhb h GLU 137 CO 0.00 0.50 0.16 -0.44 -1.18 0.00 0.00 179.01 178.05 2jhb h ASP 138 N 0.00 0.50 -0.16 1.04 3.32 -0.95 0.85 116.42 121.01 2jhb h ASP 138 Ca -0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.89 2jhb h ASP 138 Cb 0.97 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 2jhb h ASP 138 CO 0.06 0.51 0.11 0.00 -1.72 0.00 0.00 179.24 178.20 2jhb h ALA 139 N 1.00 0.20 0.00 3.45 0.00 -0.91 -2.71 119.26 120.29 2jhb h ALA 139 Ca 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2jhb h ALA 139 Cb 0.16 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2jhb h ALA 139 CO -0.01 -0.32 -0.09 -0.07 0.00 0.00 0.00 179.25 178.76 2jhb h LEU 140 N 0.22 0.00 -5.04 0.00 3.38 -0.90 -1.27 115.31 111.70 2jhb h LEU 140 Ca 0.06 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.50 2jhb h LEU 140 Cb -0.02 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.74 2jhb h LEU 140 CO -0.01 0.09 3.08 0.00 0.09 0.00 0.00 178.44 181.68 2jhb n ALA 141 N -2.43 6.53 -3.80 1.53 0.00 0.28 -4.64 120.51 117.96 2jhb n ALA 141 Ca -0.03 -2.87 -0.31 0.00 0.00 0.00 0.00 53.44 50.23 2jhb n ALA 141 Cb 0.17 -3.16 0.02 0.00 0.00 0.00 0.00 19.45 16.49 2jhb n ALA 141 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2jhb n GLN 142 N 3.66 -1.80 0.00 0.00 -0.06 -1.20 -4.89 117.38 113.11 2jhb n GLN 142 Ca 0.64 0.40 0.00 0.00 -2.00 0.00 0.00 57.00 56.05 2jhb n GLN 142 Cb 0.26 -4.10 0.00 0.00 -4.06 0.00 0.00 30.24 22.34 2jhb n GLN 142 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80