#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jhb s SER 2 N 0.00 4.17 -0.76 1.61 0.01 -1.26 -4.30 113.70 113.17 2jhb s SER 2 Ca 0.00 -1.04 -0.17 0.00 1.31 0.00 0.00 55.95 56.05 2jhb s SER 2 Cb 0.00 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.67 2jhb s SER 2 CO 0.00 -3.91 0.45 0.23 0.41 0.00 0.00 173.24 170.42 2jhb n MET 3 N 8.36 -0.64 -2.15 12.44 0.00 -1.26 -4.82 117.12 129.04 2jhb n MET 3 Ca 0.43 0.07 -0.42 0.00 0.00 0.00 0.00 57.70 57.78 2jhb n MET 3 Cb 0.46 -1.43 -0.03 0.00 0.00 0.00 0.00 33.22 32.22 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 -5.93 4.29 0.00 0.03 0.04 -1.26 -4.74 135.00 127.43 2jhb s PRO 4 Ca 0.24 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.35 2jhb s PRO 4 Cb -0.13 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 30.99 2jhb s PRO 4 CO 0.66 -0.53 0.00 0.54 0.04 0.00 0.00 177.00 177.71 2jhb n ARG 5 N 4.73 2.87 -4.53 4.56 5.12 -1.26 -5.05 116.66 123.09 2jhb n ARG 5 Ca 0.13 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.83 2jhb n ARG 5 Cb 0.42 -0.48 -0.14 0.00 -1.16 0.00 0.00 32.46 31.10 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 -0.50 1.26 0.52 1.55 -7.23 -1.26 -4.37 120.40 110.38 2jhb s VAL 6 Ca 0.00 -0.93 -0.06 0.00 -1.81 0.00 0.00 61.98 59.18 2jhb s VAL 6 Cb 0.00 -1.10 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 2jhb s VAL 6 CO 0.00 0.16 0.85 0.68 -0.31 0.00 0.00 175.10 176.47 2jhb s VAL 7 N -0.68 4.65 -0.03 1.32 -7.23 0.16 -4.90 120.40 113.69 2jhb s VAL 7 Ca 0.04 0.28 -0.10 0.00 -1.81 0.00 0.00 61.98 60.39 2jhb s VAL 7 Cb -0.07 -3.79 -0.06 0.00 0.56 0.00 0.00 36.38 33.02 2jhb s VAL 7 CO 0.01 -0.83 0.51 1.55 -0.31 0.00 0.00 175.10 176.02 2jhb h PRO 8 N 0.06 -0.35 -3.33 4.82 0.13 -1.99 -3.36 132.00 127.98 2jhb h PRO 8 Ca -0.46 0.02 -0.69 0.00 -0.87 0.00 0.00 66.00 64.01 2jhb h PRO 8 Cb 1.21 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2jhb h PRO 8 CO 0.62 -0.23 3.56 -0.25 -0.23 0.00 0.00 178.00 181.47 2jhb n ASP 9 N -4.28 7.08 -0.14 1.44 8.00 -1.26 -4.79 116.55 122.60 2jhb n ASP 9 Ca -0.04 -2.68 -0.04 0.00 0.71 0.00 0.00 54.79 52.74 2jhb n ASP 9 Cb 0.14 -1.59 0.05 0.00 -0.02 0.00 0.00 41.12 39.70 2jhb n ASP 9 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2jhb h GLN 10 N 5.33 0.24 0.00 -1.24 4.20 -1.93 -0.82 115.11 120.89 2jhb h GLN 10 Ca 0.77 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 59.37 2jhb h GLN 10 Cb 0.41 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2jhb h GLN 10 CO 1.81 0.16 -0.43 -0.09 -0.67 0.00 0.00 178.83 179.61 2jhb h ARG 11 N 0.24 0.00 -0.12 1.46 9.65 -1.95 0.41 114.38 124.07 2jhb h ARG 11 Ca 0.22 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 59.02 2jhb h ARG 11 Cb 0.27 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.85 2jhb h ARG 11 CO -0.27 0.43 -0.21 0.77 2.80 0.00 0.00 179.97 183.48 2jhb h SER 12 N 0.00 0.40 -0.17 -3.80 0.02 -1.66 -2.95 113.55 105.39 2jhb h SER 12 Ca -0.00 -0.54 -0.08 0.00 -0.84 0.00 0.00 61.79 60.33 2jhb h SER 12 Cb 0.83 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 2jhb h SER 12 CO 0.06 0.86 -0.13 0.50 -1.14 0.00 0.00 176.83 176.98 2jhb h LYS 13 N -0.05 0.55 -0.81 3.45 3.64 -0.90 0.17 116.57 122.61 2jhb h LYS 13 Ca 0.01 -0.16 0.19 0.00 -1.27 0.00 0.00 60.65 59.41 2jhb h LYS 13 Cb 0.79 -0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 32.43 2jhb h LYS 13 CO 0.05 0.67 0.25 0.35 -2.27 0.00 0.00 179.45 178.49 2jhb h PHE 14 N 0.50 0.39 0.21 1.91 3.57 -0.92 -1.04 116.94 121.57 2jhb h PHE 14 Ca 0.09 0.04 -0.30 0.00 3.53 0.00 0.00 57.97 61.33 2jhb h PHE 14 Cb 0.52 -0.05 0.03 0.00 2.79 0.00 0.00 35.95 39.25 2jhb h PHE 14 CO 0.02 -0.10 -1.32 1.05 -2.23 0.00 0.00 178.31 175.73 2jhb h GLU 15 N 0.30 0.52 0.17 1.11 -0.00 -1.18 -3.41 114.58 112.09 2jhb h GLU 15 Ca 0.48 -0.85 -0.30 0.00 -0.00 0.00 0.00 59.36 58.69 2jhb h GLU 15 Cb 0.88 0.31 0.03 0.00 -0.00 0.00 0.00 28.75 29.97 2jhb h GLU 15 CO -0.55 1.40 -1.30 -0.91 -0.00 0.00 0.00 179.01 177.66 2jhb h ASN 16 N 0.09 0.84 -2.50 3.06 2.35 0.28 -3.42 115.58 116.27 2jhb h ASN 16 Ca -0.23 -0.87 -0.60 0.00 -0.55 0.00 0.00 56.30 54.06 2jhb h ASN 16 Cb 2.03 -0.27 0.08 0.00 0.05 0.00 0.00 38.32 40.21 2jhb h ASN 16 CO 0.25 1.63 0.54 -0.62 -1.65 0.00 0.00 177.43 177.58 2jhb n GLU 17 N -3.80 1.84 -0.31 0.81 -0.58 -0.49 -4.88 120.64 113.23 2jhb n GLU 17 Ca -0.15 0.66 0.04 0.00 -0.42 0.00 0.00 57.16 57.28 2jhb n GLU 17 Cb 1.02 -2.28 0.23 0.00 -0.57 0.00 0.00 31.44 29.84 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 4.05 1.02 0.05 3.49 5.08 -1.91 -1.93 114.58 124.42 2jhb h GLU 18 Ca -0.45 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2jhb h GLU 18 Cb 1.29 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 2jhb h GLU 18 CO 0.75 0.67 -0.04 0.35 -1.00 0.00 0.00 179.01 179.74 2jhb h PHE 19 N 1.05 -0.09 -0.30 4.33 3.04 -1.97 -0.25 116.94 122.75 2jhb h PHE 19 Ca 0.40 -0.00 -0.16 0.00 3.98 0.00 0.00 57.97 62.19 2jhb h PHE 19 Cb 0.20 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 2jhb h PHE 19 CO -0.00 -0.06 -0.44 0.74 -2.02 0.00 0.00 178.31 176.53 2jhb h PHE 20 N -0.09 0.92 -0.11 0.41 0.04 -1.81 -2.93 116.94 113.37 2jhb h PHE 20 Ca -0.00 -0.29 -0.08 0.00 2.80 0.00 0.00 57.97 60.40 2jhb h PHE 20 Cb 0.08 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 2jhb h PHE 20 CO -0.09 1.06 -0.29 0.00 -0.60 0.00 0.00 178.31 178.40 2jhb h ARG 21 N 0.61 0.20 -0.43 1.51 2.47 -1.20 0.10 114.38 117.65 2jhb h ARG 21 Ca 0.04 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 2jhb h ARG 21 Cb 1.00 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.29 2jhb h ARG 21 CO 0.10 0.48 0.24 0.87 0.56 0.00 0.00 179.97 182.21 2jhb h LYS 22 N 0.18 0.59 0.01 0.04 1.57 -0.89 -2.95 116.57 115.11 2jhb h LYS 22 Ca 0.03 -0.06 -0.21 0.00 -1.87 0.00 0.00 60.65 58.53 2jhb h LYS 22 Cb 0.60 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 2jhb h LYS 22 CO 0.04 0.46 -0.93 -0.07 -0.57 0.00 0.00 179.45 178.39 2jhb h LEU 23 N 0.56 0.40 0.00 2.94 3.38 -1.31 -3.42 115.31 117.86 2jhb h LEU 23 Ca 0.15 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2jhb h LEU 23 Cb 0.04 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2jhb h LEU 23 CO -0.03 1.13 0.00 -0.24 0.09 0.00 0.00 178.44 179.40 2jhb n SER 24 N -3.69 -2.01 -2.57 -0.43 2.88 0.33 -4.72 113.62 103.41 2jhb n SER 24 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 2jhb n SER 24 Cb 0.83 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.29 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 0.00 0.47 -1.51 -1.46 1.74 -1.26 -2.13 116.66 112.52 2jhb n ARG 25 Ca 0.00 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.64 2jhb n ARG 25 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 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 -0.50 1.10 -4.58 5.56 -0.00 -1.26 -4.48 120.64 116.48 2jhb n GLU 26 Ca 0.00 0.22 -0.26 0.00 -0.00 0.00 0.00 57.16 57.12 2jhb n GLU 26 Cb 0.00 -2.74 -0.11 0.00 -0.00 0.00 0.00 31.44 28.59 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 -3.78 4.40 0.11 0.00 2.12 -1.26 -1.01 118.70 119.29 2jhb s GLU 28 Ca 0.33 1.43 0.03 0.00 0.36 0.00 0.00 54.97 57.11 2jhb s GLU 28 Cb 0.09 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.74 2jhb s GLU 28 CO 0.16 0.09 -0.08 0.96 -0.54 0.00 0.00 175.26 175.85 2jhb s ILE 29 N -1.62 0.88 0.00 -3.70 -4.36 0.42 -0.86 121.20 111.96 2jhb s ILE 29 Ca 0.53 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.98 2jhb s ILE 29 Cb -0.21 -1.70 -0.00 0.00 1.25 0.00 0.00 42.46 41.80 2jhb s ILE 29 CO 0.26 -0.80 -0.02 -0.54 0.24 0.00 0.00 174.94 174.09 2jhb s LYS 30 N -3.69 0.14 0.45 0.37 1.02 0.20 -1.42 119.74 116.82 2jhb s LYS 30 Ca 0.13 -0.15 -0.23 0.00 0.02 0.00 0.00 55.97 55.74 2jhb s LYS 30 Cb 0.03 -0.07 -0.08 0.00 -0.52 0.00 0.00 37.83 37.20 2jhb s LYS 30 CO -0.02 0.02 1.15 -0.47 -0.92 0.00 0.00 175.35 175.10 2jhb s TYR 31 N -0.28 2.93 0.00 3.18 6.14 -0.21 -0.18 117.35 128.92 2jhb s TYR 31 Ca -0.02 1.55 0.00 0.00 0.64 0.00 0.00 57.07 59.24 2jhb s TYR 31 Cb -0.02 -3.34 0.00 0.00 0.42 0.00 0.00 41.96 39.02 2jhb s TYR 31 CO -0.00 -1.38 0.07 0.25 0.64 0.00 0.00 175.55 175.13 2jhb n THR 32 N -0.45 0.00 0.00 4.34 -2.24 -0.45 -4.80 114.28 110.68 2jhb n THR 32 Ca 0.07 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2jhb n THR 32 Cb 0.48 1.78 0.00 0.00 -2.10 0.00 0.00 70.33 70.50 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 0.01 -0.70 0.33 3.38 0.00 -0.71 -4.71 105.19 102.78 2jhb n GLY 33 Ca 0.00 -0.40 0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 1.61 -5.15 -1.96 -2.58 116.94 108.87 2jhb h PHE 34 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 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 0.00 2.89 -2.00 0.00 0.00 178.31 179.20 2jhb n ARG 35 N -3.36 0.09 0.32 6.09 1.85 -1.26 -1.64 116.66 118.75 2jhb n ARG 35 Ca -0.03 0.12 0.19 0.00 -1.00 0.00 0.00 57.85 57.13 2jhb n ARG 35 Cb 0.12 -1.50 1.06 0.00 -1.05 0.00 0.00 32.46 31.09 2jhb n ARG 35 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 2jhb h ASP 36 N 0.00 0.00 -3.96 2.89 3.58 -1.74 -3.42 116.42 113.77 2jhb h ASP 36 Ca 0.00 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.91 2jhb h ASP 36 Cb 0.02 0.00 0.11 0.00 1.72 0.00 0.00 39.33 41.18 2jhb h ASP 36 CO 0.00 0.00 0.72 -0.13 -2.88 0.00 0.00 179.24 176.95 2jhb s ARG 37 N -4.37 3.90 0.68 0.28 1.81 -0.65 -4.99 118.95 115.61 2jhb s ARG 37 Ca -0.05 2.44 -0.17 0.00 -1.72 0.00 0.00 55.73 56.24 2jhb s ARG 37 Cb 0.14 -2.80 0.01 0.00 -0.45 0.00 0.00 34.95 31.85 2jhb s ARG 37 CO 0.48 -0.65 1.23 -1.25 -0.68 0.00 0.00 175.30 174.44 2jhb s PRO 38 N -2.27 2.41 0.29 3.54 0.04 -1.26 -4.92 135.00 132.83 2jhb s PRO 38 Ca 0.57 1.86 -0.30 0.00 0.04 0.00 0.00 61.00 63.18 2jhb s PRO 38 Cb -0.44 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.14 2jhb s PRO 38 CO 0.58 -1.65 1.48 -1.01 0.04 0.00 0.00 177.00 176.44 2jhb s HIS 39 N -1.74 2.89 0.00 0.56 3.76 -1.26 -4.70 115.29 114.80 2jhb s HIS 39 Ca 0.77 1.01 0.00 0.00 -0.15 0.00 0.00 55.06 56.69 2jhb s HIS 39 Cb -0.32 -3.91 0.00 0.00 1.11 0.00 0.00 32.58 29.46 2jhb s HIS 39 CO 0.41 -2.91 0.00 -1.91 -0.85 0.00 0.00 174.74 169.48 2jhb n GLU 40 N 1.90 0.00 -0.04 1.40 2.13 -1.26 -4.94 120.64 119.83 2jhb n GLU 40 Ca 0.06 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.90 2jhb n GLU 40 Cb 0.39 0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.14 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 -0.99 2.14 0.19 5.31 4.07 -1.26 -4.83 120.64 125.27 2jhb n GLU 41 Ca 0.00 -1.65 0.14 0.00 -0.06 0.00 0.00 57.16 55.59 2jhb n GLU 41 Cb 0.00 -1.05 0.60 0.00 -0.06 0.00 0.00 31.44 30.93 2jhb n GLU 41 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jhb h ARG 42 N 0.00 0.00 0.10 5.31 2.47 -1.92 -2.30 114.38 118.04 2jhb h ARG 42 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2jhb h ARG 42 Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.03 2jhb h ARG 42 CO 0.00 0.00 -0.05 1.96 0.56 0.00 0.00 179.97 182.44 2jhb h GLN 43 N 0.00 -0.13 -0.44 0.04 4.20 -1.92 0.10 115.11 116.95 2jhb h GLN 43 Ca 0.00 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2jhb h GLN 43 Cb 0.35 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 2jhb h GLN 43 CO 0.00 0.21 0.15 1.15 -0.67 0.00 0.00 178.83 179.67 2jhb h THR 44 N -0.48 1.22 -0.43 -0.54 2.02 -1.86 -2.15 112.91 110.68 2jhb h THR 44 Ca -0.01 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.47 2jhb h THR 44 Cb 0.40 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2jhb h THR 44 CO 0.02 0.26 0.29 -0.09 0.37 0.00 0.00 175.52 176.37 2jhb h ARG 45 N 0.58 0.54 0.10 6.66 9.65 -1.44 -1.86 114.38 128.60 2jhb h ARG 45 Ca 0.14 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 59.01 2jhb h ARG 45 Cb 0.25 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.67 2jhb h ARG 45 CO -0.01 0.36 -0.21 0.35 2.80 0.00 0.00 179.97 183.26 2jhb h PHE 46 N 0.56 -0.56 0.00 2.20 3.57 -0.13 0.44 116.94 123.02 2jhb h PHE 46 Ca 0.16 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 2jhb h PHE 46 Cb -0.02 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 2jhb h PHE 46 CO -0.00 -0.30 -0.16 1.96 -2.23 0.00 0.00 178.31 177.58 2jhb h GLN 47 N -0.39 0.00 -0.04 1.11 7.50 -1.16 0.11 115.11 122.24 2jhb h GLN 47 Ca 0.03 0.00 -0.22 0.00 0.50 0.00 0.00 58.65 58.97 2jhb h GLN 47 Cb 0.42 0.00 0.02 0.00 0.05 0.00 0.00 27.48 27.96 2jhb h GLN 47 CO -0.13 0.16 -0.82 -0.91 -1.50 0.00 0.00 178.83 175.63 2jhb h ASN 48 N 0.00 0.78 0.06 1.46 2.35 -0.41 -1.61 115.58 118.21 2jhb h ASN 48 Ca -0.00 -0.72 -0.15 0.00 -0.55 0.00 0.00 56.30 54.88 2jhb h ASN 48 Cb 0.30 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2jhb h ASN 48 CO 0.02 1.39 -0.53 0.00 -1.65 0.00 0.00 177.43 176.66 2jhb h ALA 49 N 0.41 0.75 -0.70 -0.83 0.00 0.18 0.26 119.26 119.33 2jhb h ALA 49 Ca -0.09 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.34 2jhb h ALA 49 Cb 1.48 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 2jhb h ALA 49 CO 0.16 0.68 0.44 0.00 0.00 0.00 0.00 179.25 180.54 2jhb h ARG 51 N 0.88 0.00 -0.37 0.00 2.43 -0.59 -2.03 114.38 114.70 2jhb h ARG 51 Ca 0.28 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.55 2jhb h ARG 51 Cb -0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2jhb h ARG 51 CO -0.10 0.33 0.27 0.22 -1.51 0.00 0.00 179.97 179.18 2jhb h ASP 52 N 0.00 0.00 0.00 -3.80 1.82 -0.24 0.30 116.42 114.50 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 1.02 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.03 2jhb h ASP 52 CO 0.04 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.28 2jhb n GLY 53 N -1.60 0.14 3.46 -0.78 0.00 -0.76 -1.53 105.19 104.12 2jhb n GLY 53 Ca 0.06 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.31 0.00 1.61 -4.01 -1.26 -4.51 116.66 108.18 2jhb n ARG 54 Ca 0.00 -0.04 0.00 0.00 -1.04 0.00 0.00 57.85 56.77 2jhb n ARG 54 Cb 0.00 -1.94 0.00 0.00 -3.04 0.00 0.00 32.46 27.48 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 -1.77 0.00 -3.70 2.89 2.88 0.11 -4.82 113.62 109.22 2jhb n SER 55 Ca 0.08 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.40 2jhb n SER 55 Cb 0.53 0.00 -0.18 0.00 -0.75 0.00 0.00 64.21 63.81 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 1.13 0.16 0.09 -1.46 2.02 -1.26 -0.54 118.70 118.83 2jhb s GLU 56 Ca 0.00 0.24 0.07 0.00 0.02 0.00 0.00 54.97 55.29 2jhb s GLU 56 Cb 0.00 -0.80 -0.03 0.00 0.10 0.00 0.00 34.13 33.40 2jhb s GLU 56 CO 0.00 -0.36 -0.17 0.42 0.02 0.00 0.00 175.26 175.17 2jhb s ILE 57 N 2.10 1.40 0.27 -1.63 1.01 -0.59 -1.34 121.20 122.43 2jhb s ILE 57 Ca 0.05 -1.44 0.05 0.00 0.00 0.00 0.00 60.65 59.31 2jhb s ILE 57 Cb -0.13 -1.32 -0.06 0.00 0.01 0.00 0.00 42.46 40.97 2jhb s ILE 57 CO -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 174.94 174.72 2jhb s ALA 58 N -1.28 2.16 -0.07 9.38 0.00 0.74 -0.82 121.76 131.88 2jhb s ALA 58 Ca 0.02 -1.89 -0.03 0.00 0.00 0.00 0.00 51.96 50.07 2jhb s ALA 58 Cb -0.10 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 2jhb s ALA 58 CO 0.03 -0.19 0.05 -0.06 0.00 0.00 0.00 175.76 175.59 2jhb s PHE 59 N -3.22 3.28 -0.02 0.00 0.40 -0.98 -0.63 117.98 116.82 2jhb s PHE 59 Ca 0.31 0.27 -0.25 0.00 -0.60 0.00 0.00 56.93 56.66 2jhb s PHE 59 Cb 0.06 -1.81 -0.18 0.00 0.51 0.00 0.00 43.02 41.59 2jhb s PHE 59 CO 0.12 0.55 1.21 0.28 0.70 0.00 0.00 175.22 178.07 2jhb h VAL 60 N 3.92 1.12 0.00 -0.44 2.07 -1.30 -1.59 116.25 120.02 2jhb h VAL 60 Ca -0.51 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.04 2jhb h VAL 60 Cb 1.20 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2jhb h VAL 60 CO 0.57 0.23 0.00 0.00 0.02 0.00 0.00 177.57 178.39 2jhb h ALA 61 N 0.22 1.00 0.00 1.67 0.00 -1.95 -3.07 119.26 117.13 2jhb h ALA 61 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jhb h ALA 61 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2jhb h ALA 61 CO 0.02 0.00 -0.21 2.41 0.00 0.00 0.00 179.25 181.47 2jhb n THR 62 N -2.82 0.00 -2.18 0.00 -1.04 -1.26 -5.09 114.28 101.89 2jhb n THR 62 Ca -0.01 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.96 2jhb n THR 62 Cb 0.13 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 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 0.72 -1.17 2.64 3.41 0.00 -0.60 -5.05 105.19 105.13 2jhb n GLY 63 Ca 0.00 0.56 -0.28 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.75 0.21 -0.32 2.61 2.01 -1.25 -4.93 115.64 112.23 2jhb s THR 64 Ca 0.12 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.20 2jhb s THR 64 Cb -0.03 -0.98 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 2jhb s THR 64 CO 0.39 -0.46 1.64 0.21 -0.69 0.00 0.00 174.62 175.71 2jhb s ASN 65 N 1.98 6.15 -0.01 3.53 2.47 -1.26 -2.31 114.94 125.48 2jhb s ASN 65 Ca 0.05 1.27 0.08 0.00 0.42 0.00 0.00 52.86 54.67 2jhb s ASN 65 Cb -0.16 -2.53 -0.02 0.00 -1.45 0.00 0.00 41.25 37.08 2jhb s ASN 65 CO -0.20 -1.51 -0.25 -1.48 -3.72 0.00 0.00 177.10 169.94 2jhb s LEU 66 N 6.02 2.12 -0.35 3.21 -0.00 0.00 -4.96 118.68 124.72 2jhb s LEU 66 Ca 0.73 -0.47 -0.29 0.00 -0.00 0.00 0.00 54.13 54.09 2jhb s LEU 66 Cb -0.21 -1.35 0.01 0.00 -0.00 0.00 0.00 46.19 44.65 2jhb s LEU 66 CO 0.32 0.31 1.25 -0.44 -0.00 0.00 0.00 176.35 177.80 2jhb s SER 67 N -0.74 6.65 0.37 1.48 0.01 -1.26 -1.54 113.70 118.68 2jhb s SER 67 Ca 0.10 0.98 -0.25 0.00 1.31 0.00 0.00 55.95 58.09 2jhb s SER 67 Cb -0.10 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.50 2jhb s SER 67 CO -0.00 -1.14 1.08 -0.76 0.41 0.00 0.00 173.24 172.83 2jhb s LEU 68 N 4.46 4.24 -0.32 2.44 1.43 0.29 -4.88 118.68 126.35 2jhb s LEU 68 Ca 0.54 2.15 -0.02 0.00 -1.03 0.00 0.00 54.13 55.77 2jhb s LEU 68 Cb -0.14 -4.03 0.12 0.00 0.03 0.00 0.00 46.19 42.18 2jhb s LEU 68 CO 0.25 -0.45 0.17 -1.10 0.23 0.00 0.00 176.35 175.45 2jhb s GLN 69 N -2.22 0.36 -0.77 1.70 -0.21 -1.26 0.08 119.66 117.34 2jhb s GLN 69 Ca 0.55 -0.90 -0.07 0.00 0.02 0.00 0.00 55.36 54.95 2jhb s GLN 69 Cb -0.26 -1.21 -0.12 0.00 1.00 0.00 0.00 33.01 32.42 2jhb s GLN 69 CO 0.33 -1.11 3.15 1.19 -2.12 0.00 0.00 175.29 176.72 2jhb n PHE 70 N 4.67 1.34 -3.63 0.91 3.01 -1.26 -4.15 117.46 118.35 2jhb n PHE 70 Ca 0.03 -2.26 -0.37 0.00 1.01 0.00 0.00 57.45 55.86 2jhb n PHE 70 Cb 0.40 -1.91 -0.07 0.00 -0.01 0.00 0.00 39.48 37.89 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 0.80 3.83 1.11 1.38 -0.71 -1.26 -4.87 117.98 118.26 2jhb s PHE 71 Ca 0.65 -2.93 -0.19 0.00 -1.04 0.00 0.00 56.93 53.43 2jhb s PHE 71 Cb 0.26 -3.28 0.28 0.00 -1.21 0.00 0.00 43.02 39.08 2jhb s PHE 71 CO -0.06 -0.77 0.79 -0.35 -1.34 0.00 0.00 175.22 173.49 2jhb n PRO 72 N 2.58 -3.63 -0.66 1.99 -0.04 -1.26 -4.75 135.00 129.23 2jhb n PRO 72 Ca 0.19 -1.30 -0.07 0.00 -0.04 0.00 0.00 63.50 62.28 2jhb n PRO 72 Cb 0.38 -1.45 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 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 -4.95 4.61 -3.18 0.55 0.00 -1.26 -4.13 120.51 112.14 2jhb n ALA 73 Ca -0.16 -1.09 -0.21 0.00 0.00 0.00 0.00 53.44 51.98 2jhb n ALA 73 Cb 0.48 -2.11 -0.06 0.00 0.00 0.00 0.00 19.45 17.76 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 2.46 -0.83 -4.83 0.00 2.88 -1.26 -5.13 113.62 106.90 2jhb n SER 74 Ca 0.26 -2.64 -0.30 0.00 -1.33 0.00 0.00 58.87 54.85 2jhb n SER 74 Cb 0.61 -0.09 0.06 0.00 -0.75 0.00 0.00 64.21 64.04 2jhb n SER 74 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 2jhb s TRP 75 N -0.23 3.11 0.00 0.66 0.52 -1.26 -4.93 118.94 116.81 2jhb s TRP 75 Ca 0.33 1.24 0.00 0.00 0.02 0.00 0.00 56.10 57.69 2jhb s TRP 75 Cb 0.10 -2.98 0.00 0.00 -1.15 0.00 0.00 33.47 29.44 2jhb s TRP 75 CO -0.16 -1.35 0.00 1.04 0.02 0.00 0.00 176.95 176.50 2jhb n GLN 76 N -3.17 5.05 0.00 4.98 3.00 -1.26 -5.04 117.38 120.93 2jhb n GLN 76 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2jhb n GLN 76 Cb 0.55 -0.49 0.00 0.00 0.00 0.00 0.00 30.24 30.30 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 0.18 2.16 3.86 1.08 0.00 -1.26 -4.92 105.19 106.29 2jhb n GLY 77 Ca 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 46.02 45.27 2jhb n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jhb s GLU 78 N 0.00 1.46 -0.77 1.61 2.02 -1.26 -5.06 118.70 116.71 2jhb s GLU 78 Ca 0.00 -0.93 -0.01 0.00 0.02 0.00 0.00 54.97 54.04 2jhb s GLU 78 Cb 0.00 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.65 2jhb s GLU 78 CO 0.00 -0.69 0.65 1.04 0.02 0.00 0.00 175.26 176.29 2jhb n GLN 79 N -0.65 -1.47 -1.63 1.61 1.13 -0.58 -4.87 117.38 110.91 2jhb n GLN 79 Ca -0.04 1.17 -0.46 0.00 -1.94 0.00 0.00 57.00 55.73 2jhb n GLN 79 Cb 0.60 -4.04 -0.03 0.00 0.11 0.00 0.00 30.24 26.87 2jhb n GLN 79 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2jhb n ARG 80 N -2.10 1.68 0.00 -1.09 1.74 0.10 -4.94 116.66 112.07 2jhb n ARG 80 Ca -0.15 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 2jhb n ARG 80 Cb 0.60 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 2jhb n ARG 80 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jhb n GLN 81 N 1.73 0.00 -3.56 5.56 10.64 -1.26 -4.74 117.38 125.74 2jhb n GLN 81 Ca 0.12 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 55.01 2jhb n GLN 81 Cb 0.29 -0.88 -0.12 0.00 -0.86 0.00 0.00 30.24 28.68 2jhb n GLN 81 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2jhb s THR 82 N -0.77 0.92 1.04 -0.39 2.01 -1.26 -5.12 115.64 112.08 2jhb s THR 82 Ca 0.00 -2.62 -0.12 0.00 0.31 0.00 0.00 61.69 59.27 2jhb s THR 82 Cb 0.00 -1.64 0.22 0.00 0.01 0.00 0.00 72.50 71.08 2jhb s THR 82 CO 0.00 -1.05 1.08 -2.16 -0.69 0.00 0.00 174.62 171.79 2jhb s PRO 83 N 0.18 0.02 0.73 4.92 0.04 -1.26 -5.05 135.00 134.57 2jhb s PRO 83 Ca 0.24 1.09 -0.11 0.00 0.04 0.00 0.00 61.00 62.26 2jhb s PRO 83 Cb -0.11 -1.64 0.03 0.00 0.04 0.00 0.00 34.50 32.81 2jhb s PRO 83 CO -0.09 -3.17 1.10 -1.12 0.04 0.00 0.00 177.00 173.76 2jhb s SER 84 N -2.68 5.24 0.31 6.66 0.01 -1.26 -4.73 113.70 117.26 2jhb s SER 84 Ca 0.67 1.16 0.17 0.00 1.31 0.00 0.00 55.95 59.26 2jhb s SER 84 Cb -0.23 -1.94 0.13 0.00 0.21 0.00 0.00 66.02 64.19 2jhb s SER 84 CO 0.61 -1.47 1.48 -0.09 0.41 0.00 0.00 173.24 174.18 2jhb h ARG 85 N -0.75 0.00 0.02 12.44 2.43 -1.85 0.52 114.38 127.19 2jhb h ARG 85 Ca -0.45 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.50 2jhb h ARG 85 Cb 1.26 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 2jhb h ARG 85 CO 0.63 0.41 -0.94 1.49 -1.51 0.00 0.00 179.97 180.05 2jhb h GLU 86 N 0.00 0.25 0.00 0.20 4.81 -1.94 -3.42 114.58 114.48 2jhb h GLU 86 Ca -0.00 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2jhb h GLU 86 Cb 1.30 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.77 2jhb h GLU 86 CO 0.05 1.02 0.00 0.66 -0.73 0.00 0.00 179.01 180.01 2jhb n TYR 87 N -3.65 0.00 -3.62 0.92 4.02 -0.01 -1.45 117.16 113.37 2jhb n TYR 87 Ca -0.05 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.70 2jhb n TYR 87 Cb 0.84 -0.46 -0.06 0.00 -0.02 0.00 0.00 39.34 39.64 2jhb n TYR 87 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2jhb s VAL 88 N -2.36 0.03 -0.17 -0.72 1.01 -0.16 -1.96 120.40 116.07 2jhb s VAL 88 Ca 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 2jhb s VAL 88 Cb 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.48 2jhb s VAL 88 CO 0.00 -0.15 0.20 -0.67 0.00 0.00 0.00 175.10 174.47 2jhb n ASP 89 N 0.72 -4.56 -0.64 3.32 2.03 -1.26 -4.09 116.55 112.07 2jhb n ASP 89 Ca -0.19 0.32 0.06 0.00 0.52 0.00 0.00 54.79 55.49 2jhb n ASP 89 Cb 0.59 -2.88 0.11 0.00 -0.72 0.00 0.00 41.12 38.22 2jhb n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jhb n LEU 90 N -0.25 1.74 -1.96 -2.67 -0.00 -1.26 -4.74 117.00 107.86 2jhb n LEU 90 Ca 0.04 -2.73 -0.19 0.00 -0.00 0.00 0.00 56.01 53.13 2jhb n LEU 90 Cb 0.15 -0.29 -0.05 0.00 -0.00 0.00 0.00 43.42 43.24 2jhb n LEU 90 CO 0.20 0.81 -0.21 1.21 -0.00 0.00 0.00 177.39 179.39 2jhb n GLU 91 N -0.64 -1.59 -1.04 1.47 2.13 -1.26 -4.30 120.64 115.40 2jhb n GLU 91 Ca 0.12 1.04 0.00 0.00 0.66 0.00 0.00 57.16 58.98 2jhb n GLU 91 Cb 0.78 -5.54 0.00 0.00 0.27 0.00 0.00 31.44 26.95 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 -2.61 -2.58 -0.91 5.31 5.12 -1.26 -5.08 116.66 114.66 2jhb n ARG 92 Ca -0.21 1.96 -0.13 0.00 -1.93 0.00 0.00 57.85 57.53 2jhb n ARG 92 Cb 0.65 -2.01 0.09 0.00 -1.16 0.00 0.00 32.46 30.03 2jhb n ARG 92 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2jhb n GLU 93 N 0.38 -0.53 -1.82 5.56 4.71 -0.50 -4.92 120.64 123.51 2jhb n GLU 93 Ca 0.00 -0.96 -0.21 0.00 -0.01 0.00 0.00 57.16 55.98 2jhb n GLU 93 Cb 0.00 -0.60 -0.08 0.00 -1.01 0.00 0.00 31.44 29.74 2jhb n GLU 93 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2jhb s ALA 94 N -3.92 1.10 -0.85 0.62 0.00 -1.26 -3.22 121.76 114.24 2jhb s ALA 94 Ca 0.34 -1.67 -0.00 0.00 0.00 0.00 0.00 51.96 50.63 2jhb s ALA 94 Cb -0.01 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.44 2jhb s ALA 94 CO 0.24 -6.00 0.01 0.41 0.00 0.00 0.00 175.76 170.42 2jhb n GLY 95 N 6.15 -0.50 3.36 0.00 0.00 -1.26 -4.95 105.19 108.00 2jhb n GLY 95 Ca 0.43 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.26 2jhb n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jhb s LYS 96 N -5.04 1.57 0.18 1.61 1.02 -1.20 -2.66 119.74 115.22 2jhb s LYS 96 Ca 0.01 -1.88 0.07 0.00 0.02 0.00 0.00 55.97 54.19 2jhb s LYS 96 Cb -0.00 -0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 36.93 2jhb s LYS 96 CO 0.01 -0.35 -0.15 0.54 -0.92 0.00 0.00 175.35 174.48 2jhb s VAL 97 N -3.58 1.62 -0.09 3.17 0.11 -0.39 -1.42 120.40 119.82 2jhb s VAL 97 Ca 0.35 -2.06 0.04 0.00 -2.93 0.00 0.00 61.98 57.38 2jhb s VAL 97 Cb 0.06 -1.90 0.00 0.00 -1.53 0.00 0.00 36.38 33.02 2jhb s VAL 97 CO 0.15 -0.53 -0.21 -0.31 -3.33 0.00 0.00 175.10 170.87 2jhb s TYR 98 N -2.71 2.32 0.17 1.54 1.51 -1.26 -1.08 117.35 117.84 2jhb s TYR 98 Ca 0.18 -0.95 0.08 0.00 -1.01 0.00 0.00 57.07 55.37 2jhb s TYR 98 Cb -0.02 -1.57 -0.04 0.00 -0.11 0.00 0.00 41.96 40.21 2jhb s TYR 98 CO 0.05 -0.40 -0.16 -0.51 -1.11 0.00 0.00 175.55 173.42 2jhb s LEU 99 N 0.43 2.47 -0.28 -1.29 1.43 0.25 -4.48 118.68 117.21 2jhb s LEU 99 Ca -0.17 -0.90 -0.22 0.00 -1.03 0.00 0.00 54.13 51.80 2jhb s LEU 99 Cb -0.17 -0.73 0.11 0.00 0.03 0.00 0.00 46.19 45.43 2jhb s LEU 99 CO 0.07 -0.10 0.91 -0.75 0.23 0.00 0.00 176.35 176.72 2jhb s LYS 100 N -3.05 0.58 -0.09 1.70 2.20 -0.53 -1.90 119.74 118.65 2jhb s LYS 100 Ca 0.17 0.77 -0.03 0.00 -0.36 0.00 0.00 55.97 56.52 2jhb s LYS 100 Cb -0.04 0.24 0.05 0.00 -1.51 0.00 0.00 37.83 36.57 2jhb s LYS 100 CO 0.06 -0.08 0.12 0.00 -0.36 0.00 0.00 175.35 175.08 2jhb s ALA 101 N 0.63 0.08 -0.05 3.13 0.00 -0.20 -4.33 121.76 121.01 2jhb s ALA 101 Ca -0.01 0.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.89 2jhb s ALA 101 Cb -0.05 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 2jhb s ALA 101 CO -0.08 -0.70 1.36 -1.25 0.00 0.00 0.00 175.76 175.09 2jhb s PRO 102 N 2.22 4.28 0.62 0.00 0.04 -1.26 -1.12 135.00 139.78 2jhb s PRO 102 Ca 0.04 1.87 0.07 0.00 0.04 0.00 0.00 61.00 63.02 2jhb s PRO 102 Cb -0.13 -3.65 0.11 0.00 0.04 0.00 0.00 34.50 30.87 2jhb s PRO 102 CO -0.06 -0.60 0.86 -1.33 0.04 0.00 0.00 177.00 175.91 2jhb n MET 103 N 5.75 0.39 -3.53 4.56 2.81 0.01 -4.19 117.12 122.93 2jhb n MET 103 Ca 0.13 -3.01 -0.29 0.00 -1.81 0.00 0.00 57.70 52.72 2jhb n MET 103 Cb 0.44 -0.37 -0.13 0.00 -0.71 0.00 0.00 33.22 32.45 2jhb n MET 103 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2jhb s ILE 104 N -2.75 0.18 -0.25 2.02 1.01 -1.26 -4.05 121.20 116.10 2jhb s ILE 104 Ca 0.63 -1.36 -0.05 0.00 0.00 0.00 0.00 60.65 59.86 2jhb s ILE 104 Cb -0.05 -1.15 -0.00 0.00 0.01 0.00 0.00 42.46 41.27 2jhb s ILE 104 CO 0.40 -0.86 0.02 -0.76 0.00 0.00 0.00 174.94 173.75 2jhb s LEU 105 N 1.48 3.37 0.00 2.97 2.01 -0.45 -4.62 118.68 123.44 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 -0.20 -1.82 0.00 0.00 0.01 0.00 0.00 46.19 44.18 2jhb s LEU 105 CO -0.16 -0.09 0.00 -3.20 1.01 0.00 0.00 176.35 173.91 2jhb n ASN 106 N 4.84 0.00 0.00 2.29 2.85 -1.26 -0.85 115.26 123.13 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 0.50 -0.74 0.00 0.00 1.24 0.00 0.00 39.78 40.78 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 -1.60 1.80 3.34 8.20 0.00 -1.26 -4.56 105.19 111.11 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 -1.84 3.23 -1.05 1.61 1.01 -0.03 -0.67 120.40 122.66 2jhb s VAL 108 Ca 0.00 -0.57 -0.23 0.00 0.00 0.00 0.00 61.98 61.19 2jhb s VAL 108 Cb 0.00 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 2jhb s VAL 108 CO 0.00 0.47 1.80 0.00 0.00 0.00 0.00 175.10 177.37 2jhb s VAL 110 N 8.26 4.69 -0.13 0.00 -7.23 -1.26 -1.99 120.40 122.74 2jhb s VAL 110 Ca 0.62 0.84 -0.24 0.00 -1.81 0.00 0.00 61.98 61.39 2jhb s VAL 110 Cb -0.02 -3.75 -0.02 0.00 0.56 0.00 0.00 36.38 33.14 2jhb s VAL 110 CO 0.02 -0.66 0.75 -0.63 -0.31 0.00 0.00 175.10 174.26 2jhb s ILE 111 N -2.56 4.97 -0.09 -0.62 1.01 0.31 -0.81 121.20 123.41 2jhb s ILE 111 Ca 0.54 1.49 -0.17 0.00 0.00 0.00 0.00 60.65 62.51 2jhb s ILE 111 Cb -0.10 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 2jhb s ILE 111 CO 0.34 0.13 0.45 0.86 0.00 0.00 0.00 174.94 176.72 2jhb s TRP 112 N 1.59 3.56 0.21 3.97 -0.00 -0.28 -0.48 118.94 127.51 2jhb s TRP 112 Ca 0.37 0.90 0.03 0.00 -0.00 0.00 0.00 56.10 57.39 2jhb s TRP 112 Cb -0.17 -2.49 -0.05 0.00 -0.00 0.00 0.00 33.47 30.77 2jhb s TRP 112 CO 0.14 0.28 0.01 -1.59 -0.00 0.00 0.00 176.95 175.80 2jhb s LYS 113 N 0.22 1.26 0.00 5.86 -2.85 -0.31 -1.04 119.74 122.89 2jhb s LYS 113 Ca 0.25 -1.64 0.00 0.00 -1.00 0.00 0.00 55.97 53.58 2jhb s LYS 113 Cb -0.15 -0.44 0.00 0.00 -2.06 0.00 0.00 37.83 35.17 2jhb s LYS 113 CO 0.11 -0.13 0.00 0.41 0.10 0.00 0.00 175.35 175.83 2jhb n GLY 114 N -0.36 1.46 3.83 0.59 0.00 -0.80 -0.75 105.19 109.16 2jhb n GLY 114 Ca -0.05 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 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 3.56 -0.26 1.61 -2.14 0.56 -0.59 118.94 119.67 2jhb s TRP 115 Ca 0.00 1.26 0.02 0.00 2.66 0.00 0.00 56.10 60.04 2jhb s TRP 115 Cb 0.00 -2.54 0.07 0.00 -3.10 0.00 0.00 33.47 27.90 2jhb s TRP 115 CO 0.00 0.28 -0.04 0.42 -2.66 0.00 0.00 176.95 174.95 2jhb s ILE 116 N -1.65 1.77 0.69 0.66 -1.09 -0.24 -1.36 121.20 119.96 2jhb s ILE 116 Ca 0.45 -1.53 -0.17 0.00 -2.23 0.00 0.00 60.65 57.18 2jhb s ILE 116 Cb -0.14 -2.06 0.01 0.00 -1.58 0.00 0.00 42.46 38.69 2jhb s ILE 116 CO 0.20 -0.21 1.27 -1.81 -1.23 0.00 0.00 174.94 173.16 2jhb s ASP 117 N 1.25 4.35 -0.07 3.58 1.11 -1.17 -1.26 116.67 124.47 2jhb s ASP 117 Ca -0.03 2.56 0.06 0.00 0.18 0.00 0.00 52.55 55.32 2jhb s ASP 117 Cb -0.19 -2.61 0.29 0.00 1.07 0.00 0.00 42.92 41.48 2jhb s ASP 117 CO -0.08 -2.17 1.03 0.18 1.18 0.00 0.00 175.17 175.31 2jhb n LEU 118 N -2.25 2.44 0.00 1.23 4.77 -1.09 -3.03 117.00 119.07 2jhb n LEU 118 Ca 0.15 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.90 2jhb n LEU 118 Cb 0.49 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2jhb n LEU 118 CO 0.47 0.39 0.18 1.41 -1.33 0.00 0.00 177.39 178.51 2jhb n HIS 119 N 0.25 0.00 0.01 -1.77 8.25 -1.26 -4.61 115.22 116.09 2jhb n HIS 119 Ca 0.10 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.57 2jhb n HIS 119 Cb 0.51 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.62 2jhb n HIS 119 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2jhb n ARG 120 N -0.54 1.60 -2.88 -0.41 5.12 -1.26 -4.95 116.66 113.34 2jhb n ARG 120 Ca 0.00 -1.20 -0.11 0.00 -1.93 0.00 0.00 57.85 54.61 2jhb n ARG 120 Cb 0.00 -1.03 0.05 0.00 -1.16 0.00 0.00 32.46 30.33 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 -0.23 -3.16 -4.28 0.55 7.99 -1.17 -4.86 117.00 111.85 2jhb n LEU 121 Ca 0.01 -0.36 -0.25 0.00 -0.01 0.00 0.00 56.01 55.40 2jhb n LEU 121 Cb 0.18 -2.05 -0.13 0.00 -0.11 0.00 0.00 43.42 41.31 2jhb n LEU 121 CO 0.01 0.25 -0.52 -1.81 -1.51 0.00 0.00 177.39 173.80 2jhb s ASP 122 N -3.72 2.55 0.00 -1.43 1.01 -1.24 -1.05 116.67 112.78 2jhb s ASP 122 Ca 0.04 -0.63 0.00 0.00 0.71 0.00 0.00 52.55 52.67 2jhb s ASP 122 Cb -0.02 -0.17 0.00 0.00 1.01 0.00 0.00 42.92 43.74 2jhb s ASP 122 CO 0.43 0.10 0.00 0.61 0.21 0.00 0.00 175.17 176.52 2jhb n GLY 123 N 1.35 -0.73 3.06 0.21 0.00 -0.50 -3.03 105.19 105.54 2jhb n GLY 123 Ca -0.19 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.46 0.83 0.16 1.61 -1.94 -0.47 -0.44 119.30 118.60 2jhb s MET 124 Ca 0.00 -0.44 -0.13 0.00 -1.71 0.00 0.00 55.69 53.41 2jhb s MET 124 Cb 0.00 -0.80 0.05 0.00 2.01 0.00 0.00 34.83 36.08 2jhb s MET 124 CO 0.00 0.22 0.64 0.41 -0.01 0.00 0.00 175.02 176.28 2jhb n GLY 125 N 2.64 0.96 1.23 -0.03 0.00 -0.18 -0.32 105.19 109.48 2jhb n GLY 125 Ca -0.15 -1.10 -0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 4.29 0.34 0.00 1.43 -0.91 -1.16 118.68 122.68 2jhb s LEU 127 Ca 0.08 0.15 -0.00 0.00 -1.03 0.00 0.00 54.13 53.32 2jhb s LEU 127 Cb -0.01 -2.93 -0.01 0.00 0.03 0.00 0.00 46.19 43.28 2jhb s LEU 127 CO 0.01 -0.06 0.43 -0.70 0.23 0.00 0.00 176.35 176.26 2jhb s GLU 128 N -3.78 1.87 -0.07 1.70 2.56 0.37 -4.71 118.70 116.63 2jhb s GLU 128 Ca 0.35 -1.81 -0.03 0.00 0.00 0.00 0.00 54.97 53.47 2jhb s GLU 128 Cb -0.10 0.41 -0.04 0.00 2.00 0.00 0.00 34.13 36.41 2jhb s GLU 128 CO 0.29 -0.75 0.08 0.12 -0.56 0.00 0.00 175.26 174.44 2jhb s PHE 129 N -3.16 3.37 -0.86 5.30 5.36 -1.26 -0.53 117.98 126.20 2jhb s PHE 129 Ca 0.33 0.33 -0.08 0.00 -0.96 0.00 0.00 56.93 56.54 2jhb s PHE 129 Cb 0.00 -1.83 0.22 0.00 -0.34 0.00 0.00 43.02 41.07 2jhb s PHE 129 CO 0.22 0.60 0.77 0.34 -1.46 0.00 0.00 175.22 175.69 2jhb s ASP 130 N -1.21 6.39 0.47 6.13 -1.08 -0.84 -4.45 116.67 122.08 2jhb s ASP 130 Ca 0.17 -3.14 0.13 0.00 -0.52 0.00 0.00 52.55 49.20 2jhb s ASP 130 Cb -0.12 -2.07 1.11 0.00 -1.46 0.00 0.00 42.92 40.39 2jhb s ASP 130 CO 0.07 -0.38 2.09 1.05 0.52 0.00 0.00 175.17 178.51 2jhb h GLU 131 N 7.01 0.22 0.10 4.34 9.09 -1.97 0.01 114.58 133.39 2jhb h GLU 131 Ca 0.11 -0.01 -0.29 0.00 0.05 0.00 0.00 59.36 59.22 2jhb h GLU 131 Cb 0.94 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.98 2jhb h GLU 131 CO 0.82 0.15 -1.49 1.49 0.05 0.00 0.00 179.01 180.02 2jhb h GLU 132 N 0.23 0.22 0.00 1.06 4.81 -1.94 -2.91 114.58 116.05 2jhb h GLU 132 Ca 0.09 -0.38 -0.08 0.00 -0.13 0.00 0.00 59.36 58.87 2jhb h GLU 132 Cb 0.10 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2jhb h GLU 132 CO -0.02 1.18 -0.36 0.00 -0.73 0.00 0.00 179.01 179.08 2jhb h ARG 133 N -0.32 0.00 0.29 1.92 2.47 -1.89 0.07 114.38 116.92 2jhb h ARG 133 Ca -0.33 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.38 2jhb h ARG 133 Cb 1.76 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 30.08 2jhb h ARG 133 CO 0.03 0.36 -0.16 0.00 0.56 0.00 0.00 179.97 180.76 2jhb h ALA 134 N 1.64 -0.42 -0.29 0.04 0.00 -1.09 -0.69 119.26 118.45 2jhb h ALA 134 Ca -0.00 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2jhb h ALA 134 Cb 0.73 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2jhb h ALA 134 CO 0.05 -0.74 0.19 1.96 0.00 0.00 0.00 179.25 180.71 2jhb h GLN 135 N -0.43 0.33 -0.16 0.00 4.20 -1.22 -0.89 115.11 116.94 2jhb h GLN 135 Ca -0.03 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 2jhb h GLN 135 Cb 0.34 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2jhb h GLN 135 CO 0.05 0.22 0.00 1.96 -0.67 0.00 0.00 178.83 180.38 2jhb h GLN 136 N 0.34 0.29 -0.20 1.46 7.50 -0.63 -2.81 115.11 121.06 2jhb h GLN 136 Ca 0.11 -0.09 -0.05 0.00 0.50 0.00 0.00 58.65 59.12 2jhb h GLN 136 Cb 0.03 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.53 2jhb h GLN 136 CO -0.02 0.51 -0.09 1.49 -1.50 0.00 0.00 178.83 179.21 2jhb h GLU 137 N 0.03 0.30 -0.02 1.46 4.57 -0.47 -1.42 114.58 119.04 2jhb h GLU 137 Ca 0.05 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2jhb h GLU 137 Cb 0.38 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 2jhb h GLU 137 CO 0.01 0.41 -0.03 -0.44 -1.18 0.00 0.00 179.01 177.78 2jhb h ASP 138 N 0.29 -0.09 -0.89 1.04 5.19 -1.13 0.05 116.42 120.88 2jhb h ASP 138 Ca 0.06 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.47 2jhb h ASP 138 Cb 0.35 0.04 -0.04 0.00 0.18 0.00 0.00 39.33 39.86 2jhb h ASP 138 CO 0.02 -0.05 0.47 0.00 -3.12 0.00 0.00 179.24 176.56 2jhb h ALA 139 N 0.97 1.15 0.00 3.45 0.00 -1.16 -2.42 119.26 121.25 2jhb h ALA 139 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2jhb h ALA 139 Cb 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2jhb h ALA 139 CO -0.05 0.67 0.00 -0.07 0.00 0.00 0.00 179.25 179.80 2jhb h LEU 140 N 1.25 0.00 -2.20 0.00 3.38 -0.93 -2.44 115.31 114.37 2jhb h LEU 140 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2jhb h LEU 140 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2jhb h LEU 140 CO -0.05 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.48 2jhb n ALA 141 N -1.98 2.27 -3.77 1.53 0.00 -0.03 -4.73 120.51 113.80 2jhb n ALA 141 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 2jhb n ALA 141 Cb 0.24 -1.06 0.04 0.00 0.00 0.00 0.00 19.45 18.67 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 0.83 -1.18 0.00 0.00 3.00 -1.18 -5.05 117.38 113.81 2jhb n GLN 142 Ca 0.00 0.39 0.06 0.00 -0.01 0.00 0.00 57.00 57.44 2jhb n GLN 142 Cb 0.31 -3.87 0.05 0.00 0.00 0.00 0.00 30.24 26.74 2jhb n GLN 142 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00