#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 -0.59 0.04 1.61 0.15 -1.26 -5.19 113.70 108.46 2jhb s SER 2 Ca 0.00 1.09 -0.00 0.00 0.70 0.00 0.00 55.95 57.74 2jhb s SER 2 Cb 0.00 1.09 -0.03 0.00 -1.71 0.00 0.00 66.02 65.37 2jhb s SER 2 CO 0.00 -0.23 -0.03 -0.04 1.20 0.00 0.00 173.24 174.14 2jhb s MET 3 N 0.15 0.50 0.09 5.44 1.00 -1.26 -5.13 119.30 120.08 2jhb s MET 3 Ca 0.01 -0.97 -0.30 0.00 0.00 0.00 0.00 55.69 54.42 2jhb s MET 3 Cb -0.04 0.15 -0.06 0.00 0.00 0.00 0.00 34.83 34.87 2jhb s MET 3 CO -0.02 -0.08 1.18 -1.25 0.00 0.00 0.00 175.02 174.86 2jhb s PRO 4 N -2.90 4.46 0.00 2.03 0.04 -1.26 -4.79 135.00 132.58 2jhb s PRO 4 Ca -0.02 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2jhb s PRO 4 Cb 0.00 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.22 2jhb s PRO 4 CO -0.06 -0.20 0.00 0.54 0.04 0.00 0.00 177.00 177.32 2jhb n ARG 5 N 3.58 2.63 -3.79 4.56 5.12 -1.26 -5.05 116.66 122.46 2jhb n ARG 5 Ca 0.08 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.87 2jhb n ARG 5 Cb 0.46 -0.54 -0.10 0.00 -1.16 0.00 0.00 32.46 31.12 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 -0.66 0.03 0.46 1.55 -7.23 -1.26 -4.33 120.40 108.96 2jhb s VAL 6 Ca 0.00 -0.23 0.00 0.00 -1.81 0.00 0.00 61.98 59.94 2jhb s VAL 6 Cb 0.00 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.48 2jhb s VAL 6 CO 0.00 -0.13 0.68 0.68 -0.31 0.00 0.00 175.10 176.02 2jhb s VAL 7 N -0.49 3.86 -0.01 1.32 -7.23 0.68 -4.83 120.40 113.71 2jhb s VAL 7 Ca -0.06 -0.51 -0.04 0.00 -1.81 0.00 0.00 61.98 59.56 2jhb s VAL 7 Cb -0.04 -3.43 -0.02 0.00 0.56 0.00 0.00 36.38 33.45 2jhb s VAL 7 CO 0.02 -0.30 0.53 1.55 -0.31 0.00 0.00 175.10 176.58 2jhb h PRO 8 N 0.37 -0.13 -2.83 4.82 0.13 -1.99 -3.34 132.00 129.03 2jhb h PRO 8 Ca -0.46 0.01 -0.52 0.00 -0.87 0.00 0.00 66.00 64.16 2jhb h PRO 8 Cb 1.26 0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.42 2jhb h PRO 8 CO 0.57 -0.09 2.74 -3.47 -0.23 0.00 0.00 178.00 177.52 2jhb n ASP 9 N -2.67 7.44 -0.28 1.44 2.03 -1.26 -4.76 116.55 118.49 2jhb n ASP 9 Ca -0.02 -2.51 0.08 0.00 0.52 0.00 0.00 54.79 52.87 2jhb n ASP 9 Cb 0.05 -1.45 0.23 0.00 -0.72 0.00 0.00 41.12 39.23 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 4.73 0.48 -0.34 -0.67 4.20 -1.88 -0.66 115.11 120.96 2jhb h GLN 10 Ca 0.67 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 59.29 2jhb h GLN 10 Cb 0.53 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 2jhb h GLN 10 CO 1.39 0.32 -0.05 -0.09 -0.67 0.00 0.00 178.83 179.73 2jhb h ARG 11 N 0.49 0.56 0.03 1.46 9.65 -1.94 0.33 114.38 124.96 2jhb h ARG 11 Ca 0.47 -0.14 -0.23 0.00 -1.10 0.00 0.00 59.98 58.98 2jhb h ARG 11 Cb 0.74 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.25 2jhb h ARG 11 CO -0.42 0.62 -1.00 0.77 2.80 0.00 0.00 179.97 182.74 2jhb h SER 12 N 0.53 0.41 -0.11 -3.80 0.02 -1.56 -2.98 113.55 106.07 2jhb h SER 12 Ca 0.11 -0.36 -0.09 0.00 -0.84 0.00 0.00 61.79 60.60 2jhb h SER 12 Cb 0.41 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2jhb h SER 12 CO 0.02 1.19 -0.22 0.50 -1.14 0.00 0.00 176.83 177.18 2jhb h LYS 13 N 0.15 0.53 -0.92 3.45 1.63 -0.80 0.17 116.57 120.79 2jhb h LYS 13 Ca -0.08 -0.19 0.11 0.00 -0.85 0.00 0.00 60.65 59.63 2jhb h LYS 13 Cb 1.66 -0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 33.17 2jhb h LYS 13 CO 0.16 0.72 0.55 0.35 -3.45 0.00 0.00 179.45 177.79 2jhb h PHE 14 N 0.47 1.00 0.14 1.91 3.57 -0.95 0.26 116.94 123.34 2jhb h PHE 14 Ca 0.07 0.03 -0.28 0.00 3.53 0.00 0.00 57.97 61.32 2jhb h PHE 14 Cb 0.65 -0.31 0.01 0.00 2.79 0.00 0.00 35.95 39.08 2jhb h PHE 14 CO 0.02 0.39 -1.30 1.05 -2.23 0.00 0.00 178.31 176.24 2jhb h GLU 15 N 0.89 0.30 0.13 1.11 4.11 -1.25 -3.41 114.58 116.45 2jhb h GLU 15 Ca 0.45 -0.50 -0.29 0.00 0.07 0.00 0.00 59.36 59.09 2jhb h GLU 15 Cb 0.44 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 2jhb h GLU 15 CO -0.26 1.23 -1.48 -0.91 0.07 0.00 0.00 179.01 177.66 2jhb h ASN 16 N 0.08 0.42 -1.82 3.06 2.35 -0.22 -3.45 115.58 116.00 2jhb h ASN 16 Ca -0.16 -0.87 -0.67 0.00 -0.55 0.00 0.00 56.30 54.05 2jhb h ASN 16 Cb 2.00 -0.14 0.02 0.00 0.05 0.00 0.00 38.32 40.25 2jhb h ASN 16 CO 0.21 1.65 1.02 -0.62 -1.65 0.00 0.00 177.43 178.04 2jhb n GLU 17 N -3.86 1.74 0.33 0.81 1.02 0.04 -4.84 120.64 115.88 2jhb n GLU 17 Ca -0.25 0.64 0.21 0.00 -0.02 0.00 0.00 57.16 57.74 2jhb n GLU 17 Cb 0.93 -2.41 1.15 0.00 -0.02 0.00 0.00 31.44 31.09 2jhb n GLU 17 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2jhb h GLU 18 N 8.40 0.00 -0.62 3.49 4.39 -1.90 -0.76 114.58 127.57 2jhb h GLU 18 Ca -0.48 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.31 2jhb h GLU 18 Cb 1.29 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.88 2jhb h GLU 18 CO 0.96 0.00 0.27 0.35 -1.16 0.00 0.00 179.01 179.43 2jhb h PHE 19 N 0.00 0.49 -0.27 4.33 3.04 -1.97 -0.21 116.94 122.35 2jhb h PHE 19 Ca 0.00 0.03 -0.19 0.00 3.98 0.00 0.00 57.97 61.79 2jhb h PHE 19 Cb 0.09 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.47 2jhb h PHE 19 CO 0.00 0.17 -0.57 0.74 -2.02 0.00 0.00 178.31 176.63 2jhb h PHE 20 N 0.49 1.08 -0.34 0.41 -1.00 -1.42 -3.11 116.94 113.06 2jhb h PHE 20 Ca 0.31 -0.39 -0.06 0.00 2.81 0.00 0.00 57.97 60.64 2jhb h PHE 20 Cb 0.33 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.67 2jhb h PHE 20 CO -0.14 1.22 -0.03 0.00 -1.61 0.00 0.00 178.31 177.75 2jhb h ARG 21 N 0.65 0.53 -0.13 1.51 2.47 -1.41 0.24 114.38 118.24 2jhb h ARG 21 Ca 0.01 -0.12 0.01 0.00 -1.26 0.00 0.00 59.98 58.61 2jhb h ARG 21 Cb 1.18 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.41 2jhb h ARG 21 CO 0.12 0.58 0.05 0.87 0.56 0.00 0.00 179.97 182.16 2jhb h LYS 22 N 0.51 0.11 0.00 0.04 1.57 -1.01 -2.56 116.57 115.22 2jhb h LYS 22 Ca 0.10 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2jhb h LYS 22 Cb 0.38 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2jhb h LYS 22 CO 0.02 0.08 -0.22 -0.07 -0.57 0.00 0.00 179.45 178.68 2jhb h LEU 23 N 0.12 0.00 0.00 2.94 3.38 -1.41 -3.41 115.31 116.93 2jhb h LEU 23 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2jhb h LEU 23 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2jhb h LEU 23 CO -0.05 0.22 0.00 -0.24 0.09 0.00 0.00 178.44 178.46 2jhb n SER 24 N -3.22 -3.95 -4.61 -0.43 2.88 0.83 -4.48 113.62 100.63 2jhb n SER 24 Ca 0.02 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.32 2jhb n SER 24 Cb 0.54 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.12 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 1.54 -0.53 -1.46 0.52 -1.26 -2.47 118.95 115.28 2jhb s ARG 25 Ca 0.00 -1.10 -0.25 0.00 -0.52 0.00 0.00 55.73 53.86 2jhb s ARG 25 Cb 0.00 -2.29 -0.14 0.00 0.52 0.00 0.00 34.95 33.04 2jhb s ARG 25 CO 0.00 -1.57 1.66 -0.85 0.02 0.00 0.00 175.30 174.56 2jhb n GLU 26 N -2.93 0.00 -4.57 3.54 0.28 -1.26 -4.82 120.64 110.88 2jhb n GLU 26 Ca 0.16 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.88 2jhb n GLU 26 Cb 0.61 -1.01 -0.08 0.00 1.43 0.00 0.00 31.44 32.39 2jhb n GLU 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jhb s GLU 28 N -3.72 4.45 0.09 0.00 2.12 -1.26 -0.35 118.70 120.02 2jhb s GLU 28 Ca 0.19 1.10 0.02 0.00 0.36 0.00 0.00 54.97 56.64 2jhb s GLU 28 Cb 0.02 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.44 2jhb s GLU 28 CO 0.12 0.39 -0.07 0.96 -0.54 0.00 0.00 175.26 176.12 2jhb s ILE 29 N -1.48 0.70 -0.03 -3.70 -4.36 -0.20 -0.91 121.20 111.22 2jhb s ILE 29 Ca 0.44 -1.85 -0.01 0.00 -0.26 0.00 0.00 60.65 58.97 2jhb s ILE 29 Cb -0.19 -1.58 0.03 0.00 1.25 0.00 0.00 42.46 41.97 2jhb s ILE 29 CO 0.23 -0.81 0.06 -0.54 0.24 0.00 0.00 174.94 174.12 2jhb s LYS 30 N -3.59 0.02 0.29 0.37 1.02 0.16 -1.18 119.74 116.84 2jhb s LYS 30 Ca 0.10 0.20 -0.30 0.00 0.02 0.00 0.00 55.97 55.99 2jhb s LYS 30 Cb 0.03 -0.16 -0.11 0.00 -0.52 0.00 0.00 37.83 37.08 2jhb s LYS 30 CO -0.04 -0.13 1.51 -0.47 -0.92 0.00 0.00 175.35 175.31 2jhb s TYR 31 N 0.83 2.83 -0.40 3.18 6.14 -0.10 0.10 117.35 129.92 2jhb s TYR 31 Ca -0.07 0.95 0.01 0.00 0.64 0.00 0.00 57.07 58.61 2jhb s TYR 31 Cb -0.09 -3.96 0.14 0.00 0.42 0.00 0.00 41.96 38.46 2jhb s TYR 31 CO -0.03 -3.11 0.23 0.95 0.64 0.00 0.00 175.55 174.23 2jhb s THR 32 N -0.24 0.82 0.00 4.34 -4.23 -0.81 -4.79 115.64 110.73 2jhb s THR 32 Ca 0.60 -2.21 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 2jhb s THR 32 Cb -0.45 -1.59 0.00 0.00 1.34 0.00 0.00 72.50 71.80 2jhb s THR 32 CO 0.49 -0.95 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 2jhb n GLY 33 N 3.72 1.87 0.34 3.99 0.00 -1.26 -4.41 105.19 109.45 2jhb n GLY 33 Ca 0.11 0.01 0.20 0.00 0.00 0.00 0.00 46.02 46.35 2jhb n GLY 33 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2jhb h PHE 34 N 0.00 0.00 0.00 1.61 3.04 -1.96 -1.94 116.94 117.69 2jhb h PHE 34 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2jhb h PHE 34 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 2jhb h PHE 34 CO 0.00 0.00 0.03 2.89 -2.02 0.00 0.00 178.31 179.21 2jhb n ARG 35 N -3.12 0.00 0.00 1.11 -4.01 -1.26 -1.54 116.66 107.84 2jhb n ARG 35 Ca -0.02 0.06 0.10 0.00 -1.04 0.00 0.00 57.85 56.95 2jhb n ARG 35 Cb 0.16 -1.53 0.59 0.00 -3.04 0.00 0.00 32.46 28.64 2jhb n ARG 35 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 2jhb n ASP 36 N -0.93 0.00 -4.07 2.89 9.92 -0.73 -4.80 116.55 118.83 2jhb n ASP 36 Ca 0.00 -0.47 -0.29 0.00 -0.53 0.00 0.00 54.79 53.50 2jhb n ASP 36 Cb 0.03 -0.08 0.27 0.00 -0.64 0.00 0.00 41.12 40.70 2jhb n ASP 36 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2jhb s ARG 37 N -2.16 -1.84 1.14 -1.24 1.81 -0.59 -5.04 118.95 111.02 2jhb s ARG 37 Ca 0.28 0.54 -0.18 0.00 -1.72 0.00 0.00 55.73 54.65 2jhb s ARG 37 Cb 0.14 -1.47 0.14 0.00 -0.45 0.00 0.00 34.95 33.31 2jhb s ARG 37 CO 0.26 -4.26 0.13 -0.35 -0.68 0.00 0.00 175.30 170.40 2jhb n PRO 38 N -5.25 -1.80 0.00 3.54 -0.04 -1.26 -5.02 135.00 125.17 2jhb n PRO 38 Ca 0.06 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 63.02 2jhb n PRO 38 Cb 0.57 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 2jhb n PRO 38 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2jhb n HIS 39 N -4.55 -1.89 0.00 0.54 8.25 -1.26 -4.35 115.22 111.96 2jhb n HIS 39 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2jhb n HIS 39 Cb 0.61 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.72 2jhb n HIS 39 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2jhb n GLU 40 N -0.72 0.00 0.01 -0.41 2.13 -1.26 -4.10 120.64 116.29 2jhb n GLU 40 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2jhb n GLU 40 Cb 0.00 -1.02 0.00 0.00 0.27 0.00 0.00 31.44 30.69 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 -2.00 0.00 0.32 5.31 0.00 -1.26 -4.78 120.64 118.24 2jhb n GLU 41 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 57.16 57.36 2jhb n GLU 41 Cb 0.00 -0.21 1.10 0.00 0.00 0.00 0.00 31.44 32.33 2jhb n GLU 41 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 2jhb h ARG 42 N 0.00 0.00 -0.67 5.31 0.11 -1.76 -1.62 114.38 115.75 2jhb h ARG 42 Ca 0.00 0.00 0.08 0.00 0.10 0.00 0.00 59.98 60.16 2jhb h ARG 42 Cb 0.39 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.41 2jhb h ARG 42 CO 0.00 0.01 0.35 1.96 0.10 0.00 0.00 179.97 182.38 2jhb h GLN 43 N 0.00 0.60 0.04 0.08 4.20 -1.89 0.16 115.11 118.30 2jhb h GLN 43 Ca -0.00 -0.04 -0.35 0.00 0.06 0.00 0.00 58.65 58.33 2jhb h GLN 43 Cb 0.04 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 27.64 2jhb h GLN 43 CO 0.00 0.39 -2.07 2.41 -0.67 0.00 0.00 178.83 178.90 2jhb n THR 44 N -4.84 1.60 -0.17 -0.54 -1.04 -0.79 -4.04 114.28 104.45 2jhb n THR 44 Ca 0.09 -0.73 0.20 0.00 -2.04 0.00 0.00 64.05 61.58 2jhb n THR 44 Cb 0.23 -1.20 0.58 0.00 -1.82 0.00 0.00 70.33 68.11 2jhb n THR 44 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2jhb h ARG 45 N 0.02 0.26 -0.09 -2.82 9.65 -1.24 -0.29 114.38 119.87 2jhb h ARG 45 Ca -0.43 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.47 2jhb h ARG 45 Cb 2.05 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 30.52 2jhb h ARG 45 CO 0.04 0.17 -0.22 0.35 2.80 0.00 0.00 179.97 183.11 2jhb h PHE 46 N 0.27 -0.60 -0.41 2.20 3.57 -0.81 0.59 116.94 121.75 2jhb h PHE 46 Ca 0.40 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.93 2jhb h PHE 46 Cb 1.15 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 40.15 2jhb h PHE 46 CO -0.00 -0.31 0.27 1.96 -2.23 0.00 0.00 178.31 178.00 2jhb h GLN 47 N -0.31 0.55 0.00 1.11 7.50 -1.31 -0.91 115.11 121.75 2jhb h GLN 47 Ca 0.09 -0.04 -0.05 0.00 0.50 0.00 0.00 58.65 59.14 2jhb h GLN 47 Cb 0.43 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.83 2jhb h GLN 47 CO -0.27 0.38 -0.26 -0.91 -1.50 0.00 0.00 178.83 176.27 2jhb h ASN 48 N 0.56 0.00 0.81 1.46 2.35 -0.06 0.16 115.58 120.85 2jhb h ASN 48 Ca 0.15 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.66 2jhb h ASN 48 Cb -0.04 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 2jhb h ASN 48 CO -0.03 0.26 -1.16 0.00 -1.65 0.00 0.00 177.43 174.85 2jhb h ALA 49 N 1.74 0.29 0.00 -0.83 0.00 0.27 0.21 119.26 120.94 2jhb h ALA 49 Ca -0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 54.91 53.93 2jhb h ALA 49 Cb 0.61 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2jhb h ALA 49 CO 0.03 1.18 -0.09 0.00 0.00 0.00 0.00 179.25 180.37 2jhb n ARG 51 N -3.40 0.73 0.27 0.00 0.63 0.49 -4.11 116.66 111.29 2jhb n ARG 51 Ca -0.01 -0.08 0.14 0.00 -0.92 0.00 0.00 57.85 56.97 2jhb n ARG 51 Cb 0.26 -1.50 0.79 0.00 0.45 0.00 0.00 32.46 32.46 2jhb n ARG 51 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2jhb h ASP 52 N 0.00 0.00 0.00 6.15 1.82 -0.68 -2.36 116.42 121.35 2jhb h ASP 52 Ca -0.32 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.32 2jhb h ASP 52 Cb 1.70 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.71 2jhb h ASP 52 CO 0.02 0.09 0.00 0.61 -1.61 0.00 0.00 179.24 178.34 2jhb n GLY 53 N -0.78 0.11 3.73 -0.78 0.00 -1.24 -0.56 105.19 105.68 2jhb n GLY 53 Ca -0.02 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 2jhb n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jhb s ARG 54 N 0.00 2.16 0.17 1.61 1.81 -1.26 -4.51 118.95 118.93 2jhb s ARG 54 Ca 0.00 1.55 0.03 0.00 -1.72 0.00 0.00 55.73 55.60 2jhb s ARG 54 Cb 0.00 -1.86 -0.01 0.00 -0.45 0.00 0.00 34.95 32.63 2jhb s ARG 54 CO 0.00 -1.77 0.13 0.45 -0.68 0.00 0.00 175.30 173.42 2jhb n SER 55 N -2.97 -0.07 -3.62 0.23 2.88 0.12 -4.76 113.62 105.43 2jhb n SER 55 Ca 0.12 -2.09 -0.28 0.00 -1.33 0.00 0.00 58.87 55.29 2jhb n SER 55 Cb 0.51 0.77 -0.16 0.00 -0.75 0.00 0.00 64.21 64.58 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 -2.69 0.34 0.32 -1.46 2.12 -1.26 -0.96 118.70 115.11 2jhb s GLU 56 Ca 0.18 -0.52 0.07 0.00 0.36 0.00 0.00 54.97 55.06 2jhb s GLU 56 Cb 0.01 -1.62 -0.06 0.00 0.26 0.00 0.00 34.13 32.72 2jhb s GLU 56 CO 0.13 -0.88 -0.04 0.42 -0.54 0.00 0.00 175.26 174.35 2jhb s ILE 57 N 1.98 1.80 0.17 -3.70 1.01 -0.77 -1.92 121.20 119.76 2jhb s ILE 57 Ca 0.06 -2.11 0.02 0.00 0.00 0.00 0.00 60.65 58.61 2jhb s ILE 57 Cb -0.16 -2.63 -0.05 0.00 0.01 0.00 0.00 42.46 39.63 2jhb s ILE 57 CO -0.24 -0.19 0.01 0.00 0.00 0.00 0.00 174.94 174.52 2jhb s ALA 58 N -2.90 1.32 0.20 9.38 0.00 0.11 -0.23 121.76 129.65 2jhb s ALA 58 Ca 0.32 -1.59 -0.13 0.00 0.00 0.00 0.00 51.96 50.56 2jhb s ALA 58 Cb 0.05 0.58 -0.07 0.00 0.00 0.00 0.00 23.12 23.67 2jhb s ALA 58 CO 0.14 -0.33 0.59 -0.06 0.00 0.00 0.00 175.76 176.10 2jhb s PHE 59 N -3.69 3.52 -0.17 0.00 0.40 -0.03 -0.66 117.98 117.35 2jhb s PHE 59 Ca 0.24 1.05 -0.18 0.00 -0.60 0.00 0.00 56.93 57.44 2jhb s PHE 59 Cb 0.06 -2.38 -0.15 0.00 0.51 0.00 0.00 43.02 41.06 2jhb s PHE 59 CO 0.04 0.32 0.19 0.28 0.70 0.00 0.00 175.22 176.76 2jhb h VAL 60 N 2.42 0.77 -0.50 -0.44 2.07 -1.32 -3.07 116.25 116.17 2jhb h VAL 60 Ca -0.48 -1.83 0.10 0.00 0.82 0.00 0.00 66.70 65.31 2jhb h VAL 60 Cb 1.18 1.70 -0.09 0.00 -1.52 0.00 0.00 31.29 32.56 2jhb h VAL 60 CO 0.67 0.26 -0.09 0.00 0.02 0.00 0.00 177.57 178.43 2jhb h ALA 61 N -0.57 0.38 0.00 1.67 0.00 -1.93 -2.73 119.26 116.08 2jhb h ALA 61 Ca -0.18 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jhb h ALA 61 Cb 0.96 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2jhb h ALA 61 CO -0.11 -0.43 -0.90 2.41 0.00 0.00 0.00 179.25 180.22 2jhb n THR 62 N -5.33 0.00 -1.38 0.00 -1.04 -1.26 -5.09 114.28 100.19 2jhb n THR 62 Ca 0.05 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 2jhb n THR 62 Cb 0.27 0.62 0.00 0.00 -1.82 0.00 0.00 70.33 69.40 2jhb n THR 62 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jhb n GLY 63 N 1.71 -1.34 2.79 3.41 0.00 -1.03 -5.08 105.19 105.65 2jhb n GLY 63 Ca -0.00 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.57 -0.27 0.12 2.61 2.01 -1.17 -4.92 115.64 113.45 2jhb s THR 64 Ca 0.00 0.16 -0.33 0.00 0.31 0.00 0.00 61.69 61.83 2jhb s THR 64 Cb 0.00 -0.45 -0.12 0.00 0.01 0.00 0.00 72.50 71.94 2jhb s THR 64 CO 0.00 -0.00 1.74 -3.20 -0.69 0.00 0.00 174.62 172.46 2jhb n ASN 65 N 5.32 3.64 -3.95 3.53 2.85 -1.26 -0.85 115.26 124.54 2jhb n ASN 65 Ca -0.05 1.03 -0.22 0.00 -0.11 0.00 0.00 54.58 55.23 2jhb n ASN 65 Cb 0.50 -1.49 -0.16 0.00 1.24 0.00 0.00 39.78 39.86 2jhb n ASN 65 CO 0.00 0.00 0.00 -1.48 -2.11 0.00 0.00 177.26 173.67 2jhb s LEU 66 N 2.02 1.50 -0.53 1.20 -0.00 0.67 -4.95 118.68 118.60 2jhb s LEU 66 Ca 0.81 -0.20 -0.28 0.00 -0.00 0.00 0.00 54.13 54.46 2jhb s LEU 66 Cb -0.58 -0.60 0.03 0.00 -0.00 0.00 0.00 46.19 45.04 2jhb s LEU 66 CO 0.38 -0.01 1.16 -0.44 -0.00 0.00 0.00 176.35 177.44 2jhb s SER 67 N 0.75 6.54 0.16 1.48 0.01 -1.26 -1.85 113.70 119.53 2jhb s SER 67 Ca -0.12 0.28 -0.30 0.00 1.31 0.00 0.00 55.95 57.12 2jhb s SER 67 Cb -0.15 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.46 2jhb s SER 67 CO 0.02 -1.36 1.16 -0.76 0.41 0.00 0.00 173.24 172.71 2jhb s LEU 68 N 4.67 4.45 -0.39 2.44 1.43 -0.13 -4.89 118.68 126.25 2jhb s LEU 68 Ca 0.45 2.15 0.03 0.00 -1.03 0.00 0.00 54.13 55.73 2jhb s LEU 68 Cb -0.07 -3.60 0.16 0.00 0.03 0.00 0.00 46.19 42.70 2jhb s LEU 68 CO 0.29 -0.33 0.34 0.00 0.23 0.00 0.00 176.35 176.87 2jhb s GLN 69 N -0.10 0.74 -0.79 1.70 -2.07 -1.26 0.11 119.66 117.99 2jhb s GLN 69 Ca 0.52 -1.51 -0.25 0.00 -1.82 0.00 0.00 55.36 52.30 2jhb s GLN 69 Cb -0.31 -1.11 -0.01 0.00 -1.09 0.00 0.00 33.01 30.49 2jhb s GLN 69 CO 0.35 -1.29 1.71 -0.06 -1.32 0.00 0.00 175.29 174.69 2jhb s PHE 70 N 0.74 1.96 -0.70 9.60 0.40 -1.26 -4.51 117.98 124.22 2jhb s PHE 70 Ca 0.24 0.32 0.05 0.00 -0.60 0.00 0.00 56.93 56.95 2jhb s PHE 70 Cb -0.09 -4.27 0.19 0.00 0.51 0.00 0.00 43.02 39.35 2jhb s PHE 70 CO -0.08 -2.04 0.57 1.19 0.70 0.00 0.00 175.22 175.56 2jhb n PHE 71 N 11.87 3.39 -0.97 0.36 3.72 -1.26 -4.26 117.46 130.31 2jhb n PHE 71 Ca 0.25 -4.27 -0.33 0.00 -0.05 0.00 0.00 57.45 53.05 2jhb n PHE 71 Cb 0.50 -0.63 0.12 0.00 -0.94 0.00 0.00 39.48 38.53 2jhb n PHE 71 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2jhb n PRO 72 N 1.69 -0.04 0.33 -1.08 -0.04 -1.26 -4.74 135.00 129.85 2jhb n PRO 72 Ca 0.22 0.05 0.15 0.00 -0.04 0.00 0.00 63.50 63.88 2jhb n PRO 72 Cb 0.36 -2.14 0.78 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.16 1.33 0.00 0.55 0.00 -2.01 0.24 119.26 118.20 2jhb h ALA 73 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2jhb h ALA 73 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2jhb h ALA 73 CO 0.41 -0.33 0.00 0.43 0.00 0.00 0.00 179.25 179.76 2jhb n SER 74 N -2.83 0.25 -0.37 0.00 7.64 -1.26 -5.03 113.62 112.01 2jhb n SER 74 Ca -0.02 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.43 2jhb n SER 74 Cb 0.38 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 2jhb n SER 74 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2jhb n TRP 75 N -1.78 -1.28 -3.87 1.43 7.02 0.83 -4.93 117.44 114.86 2jhb n TRP 75 Ca 0.03 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.15 2jhb n TRP 75 Cb 0.17 0.13 0.02 0.00 -2.42 0.00 0.00 31.31 29.21 2jhb n TRP 75 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 2jhb n GLN 76 N -0.74 -0.82 -0.79 -0.99 0.00 -1.26 -4.82 117.38 107.97 2jhb n GLN 76 Ca 0.00 0.39 -0.15 0.00 -0.00 0.00 0.00 57.00 57.23 2jhb n GLN 76 Cb 0.00 -2.99 0.06 0.00 0.00 0.00 0.00 30.24 27.31 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 -1.88 3.79 3.76 1.69 0.00 -1.26 -4.94 105.19 106.34 2jhb n GLY 77 Ca -0.15 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 2jhb n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jhb s GLU 78 N -1.80 4.47 -0.79 1.61 2.12 -1.26 -4.17 118.70 118.87 2jhb s GLU 78 Ca 0.31 2.02 -0.13 0.00 0.36 0.00 0.00 54.97 57.53 2jhb s GLU 78 Cb 0.25 -3.14 0.02 0.00 0.26 0.00 0.00 34.13 31.51 2jhb s GLU 78 CO 0.02 -0.05 0.50 0.94 -0.54 0.00 0.00 175.26 176.13 2jhb n GLN 79 N 1.35 -0.82 -3.62 4.30 0.00 0.28 -4.86 117.38 114.02 2jhb n GLN 79 Ca 0.01 0.27 -0.37 0.00 -0.00 0.00 0.00 57.00 56.91 2jhb n GLN 79 Cb 0.43 -1.71 -0.06 0.00 0.00 0.00 0.00 30.24 28.89 2jhb n GLN 79 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 2jhb s ARG 80 N -5.58 3.95 0.18 3.69 1.70 -0.90 -4.98 118.95 117.00 2jhb s ARG 80 Ca 0.18 0.12 0.07 0.00 -0.47 0.00 0.00 55.73 55.63 2jhb s ARG 80 Cb -0.10 -3.31 0.02 0.00 -0.57 0.00 0.00 34.95 30.99 2jhb s ARG 80 CO 0.73 0.51 1.41 -0.56 -1.08 0.00 0.00 175.30 176.31 2jhb h GLN 81 N 5.67 0.06 -3.60 3.89 3.07 -1.91 -3.40 115.11 118.90 2jhb h GLN 81 Ca -0.48 -0.07 -0.59 0.00 0.09 0.00 0.00 58.65 57.60 2jhb h GLN 81 Cb 1.20 0.02 -0.40 0.00 0.08 0.00 0.00 27.48 28.38 2jhb h GLN 81 CO 0.67 0.87 -0.75 0.99 0.09 0.00 0.00 178.83 180.70 2jhb s THR 82 N -3.13 1.04 0.09 1.86 2.01 -1.26 -5.12 115.64 111.12 2jhb s THR 82 Ca -0.01 -1.58 -0.01 0.00 0.31 0.00 0.00 61.69 60.40 2jhb s THR 82 Cb 0.11 -1.78 0.02 0.00 0.01 0.00 0.00 72.50 70.86 2jhb s THR 82 CO 0.81 -0.69 0.05 -2.65 -0.69 0.00 0.00 174.62 171.44 2jhb n PRO 83 N 4.68 -2.15 0.00 4.92 -0.02 -1.26 -5.09 135.00 136.08 2jhb n PRO 83 Ca -0.00 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 2jhb n PRO 83 Cb 0.41 -0.11 0.00 0.00 -0.02 0.00 0.00 33.50 33.78 2jhb n PRO 83 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2jhb n SER 84 N -3.15 0.00 -0.02 2.55 7.64 -1.26 -5.01 113.62 114.37 2jhb n SER 84 Ca 0.01 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 2jhb n SER 84 Cb 0.03 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.22 2jhb n SER 84 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2jhb n ARG 85 N 0.00 0.23 0.25 1.43 0.63 -1.26 -4.64 116.66 113.30 2jhb n ARG 85 Ca 0.00 0.09 0.14 0.00 -0.92 0.00 0.00 57.85 57.16 2jhb n ARG 85 Cb 0.00 -0.90 0.52 0.00 0.45 0.00 0.00 32.46 32.53 2jhb n ARG 85 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 2jhb h GLU 86 N -0.43 0.00 0.74 -0.14 4.81 -1.91 -3.15 114.58 114.50 2jhb h GLU 86 Ca -0.06 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 2jhb h GLU 86 Cb 0.58 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.97 2jhb h GLU 86 CO -0.03 0.08 -0.35 1.88 -0.73 0.00 0.00 179.01 179.86 2jhb h TYR 87 N 0.00 -0.92 -3.33 0.92 -1.99 -1.86 -2.94 116.97 106.85 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 0.68 0.30 -0.15 0.00 2.00 0.00 0.00 36.73 39.56 2jhb h TYR 87 CO 0.00 -0.57 -0.19 0.08 -0.00 0.00 0.00 178.16 177.48 2jhb s VAL 88 N -5.10 0.08 -0.30 -2.88 1.01 -1.19 -1.33 120.40 110.70 2jhb s VAL 88 Ca -0.14 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 2jhb s VAL 88 Cb 0.01 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.35 2jhb s VAL 88 CO 0.43 -0.37 0.33 -0.67 0.00 0.00 0.00 175.10 174.82 2jhb n ASP 89 N 0.29 -5.00 -0.57 3.32 -0.08 -1.25 -4.16 116.55 109.09 2jhb n ASP 89 Ca -0.17 0.12 0.06 0.00 -1.51 0.00 0.00 54.79 53.29 2jhb n ASP 89 Cb 0.61 -3.22 0.17 0.00 2.34 0.00 0.00 41.12 41.01 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 -0.89 2.38 0.00 -2.67 -0.00 -1.26 -4.68 117.00 109.88 2jhb n LEU 90 Ca 0.03 -3.45 0.00 0.00 -0.00 0.00 0.00 56.01 52.59 2jhb n LEU 90 Cb 0.37 -0.44 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 2jhb n LEU 90 CO 0.26 1.13 0.00 1.21 -0.00 0.00 0.00 177.39 179.99 2jhb n GLU 91 N -0.99 -1.33 -0.69 1.47 2.13 -1.26 -4.30 120.64 115.67 2jhb n GLU 91 Ca 0.16 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.32 2jhb n GLU 91 Cb 0.72 -4.38 0.00 0.00 0.27 0.00 0.00 31.44 28.06 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 -0.29 -1.52 -0.40 5.31 5.12 -1.26 -5.08 116.66 118.54 2jhb n ARG 92 Ca 0.00 1.22 -0.07 0.00 -1.93 0.00 0.00 57.85 57.08 2jhb n ARG 92 Cb 0.33 -1.18 0.05 0.00 -1.16 0.00 0.00 32.46 30.49 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 0.08 -0.47 -1.58 5.56 0.00 0.08 -4.90 120.64 119.41 2jhb n GLU 93 Ca 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 57.16 56.57 2jhb n GLU 93 Cb 0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 31.44 31.05 2jhb n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jhb s ALA 94 N -3.84 0.70 -0.28 4.31 0.00 -1.26 -2.91 121.76 118.48 2jhb s ALA 94 Ca 0.17 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2jhb s ALA 94 Cb -0.01 -4.58 0.00 0.00 0.00 0.00 0.00 23.12 18.54 2jhb s ALA 94 CO 0.12 -5.91 0.00 0.41 0.00 0.00 0.00 175.76 170.38 2jhb n GLY 95 N 6.81 0.25 3.48 0.00 0.00 -1.26 -4.93 105.19 109.54 2jhb n GLY 95 Ca 0.47 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.26 2jhb n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jhb s LYS 96 N -1.49 1.71 0.04 1.61 -2.85 -1.15 -1.18 119.74 116.43 2jhb s LYS 96 Ca 0.00 -1.95 0.07 0.00 -1.00 0.00 0.00 55.97 53.09 2jhb s LYS 96 Cb 0.00 -1.02 -0.03 0.00 -2.06 0.00 0.00 37.83 34.73 2jhb s LYS 96 CO 0.00 -0.16 -0.21 0.54 0.10 0.00 0.00 175.35 175.62 2jhb s VAL 97 N -3.18 1.69 0.33 1.79 0.11 0.21 -0.74 120.40 120.61 2jhb s VAL 97 Ca 0.36 -1.21 -0.13 0.00 -2.93 0.00 0.00 61.98 58.08 2jhb s VAL 97 Cb 0.09 -1.47 -0.08 0.00 -1.53 0.00 0.00 36.38 33.39 2jhb s VAL 97 CO 0.16 0.22 0.71 -0.31 -3.33 0.00 0.00 175.10 172.55 2jhb s TYR 98 N -0.80 3.41 -0.19 1.54 1.51 -1.26 -0.88 117.35 120.67 2jhb s TYR 98 Ca 0.08 1.10 -0.13 0.00 -1.01 0.00 0.00 57.07 57.11 2jhb s TYR 98 Cb -0.09 -2.46 0.06 0.00 -0.11 0.00 0.00 41.96 39.36 2jhb s TYR 98 CO 0.02 0.07 0.48 -1.17 -1.11 0.00 0.00 175.55 173.84 2jhb s LEU 99 N -3.21 -0.17 -0.28 -1.29 1.98 -0.22 -4.55 118.68 110.94 2jhb s LEU 99 Ca 0.52 1.03 -0.23 0.00 -2.89 0.00 0.00 54.13 52.56 2jhb s LEU 99 Cb -0.10 1.63 0.11 0.00 0.66 0.00 0.00 46.19 48.49 2jhb s LEU 99 CO 0.22 -0.19 0.91 -0.75 -1.89 0.00 0.00 176.35 174.65 2jhb s LYS 100 N 1.09 0.59 -0.12 1.98 2.20 -0.44 -0.82 119.74 124.21 2jhb s LYS 100 Ca -0.07 0.77 -0.12 0.00 -0.36 0.00 0.00 55.97 56.19 2jhb s LYS 100 Cb -0.06 0.26 0.03 0.00 -1.51 0.00 0.00 37.83 36.55 2jhb s LYS 100 CO -0.10 -0.08 0.34 0.00 -0.36 0.00 0.00 175.35 175.15 2jhb s ALA 101 N 0.54 -0.84 0.21 3.13 0.00 0.11 -4.43 121.76 120.49 2jhb s ALA 101 Ca -0.00 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 52.57 2jhb s ALA 101 Cb -0.05 -0.52 -0.09 0.00 0.00 0.00 0.00 23.12 22.47 2jhb s ALA 101 CO -0.07 -0.17 1.24 -1.25 0.00 0.00 0.00 175.76 175.52 2jhb s PRO 102 N 0.08 4.45 0.21 0.00 0.04 -1.26 -0.48 135.00 138.04 2jhb s PRO 102 Ca -0.01 1.97 0.09 0.00 0.04 0.00 0.00 61.00 63.10 2jhb s PRO 102 Cb -0.03 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 2jhb s PRO 102 CO 0.01 -0.14 -0.18 -1.64 0.04 0.00 0.00 177.00 175.09 2jhb s MET 103 N -0.45 1.42 -0.25 4.56 1.00 0.49 -4.38 119.30 121.69 2jhb s MET 103 Ca 0.53 -1.57 -0.04 0.00 0.00 0.00 0.00 55.69 54.62 2jhb s MET 103 Cb -0.35 -1.42 0.10 0.00 0.00 0.00 0.00 34.83 33.16 2jhb s MET 103 CO 0.39 0.27 0.17 0.42 0.00 0.00 0.00 175.02 176.27 2jhb s ILE 104 N -2.43 -0.18 0.00 2.53 1.01 -1.25 -1.08 121.20 119.79 2jhb s ILE 104 Ca 0.22 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.41 2jhb s ILE 104 Cb -0.04 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.59 2jhb s ILE 104 CO 0.09 -0.49 0.00 0.18 0.00 0.00 0.00 174.94 174.72 2jhb n LEU 105 N 5.28 0.00 0.02 2.97 7.99 -1.17 -4.69 117.00 127.40 2jhb n LEU 105 Ca -0.05 0.00 0.05 0.00 -0.01 0.00 0.00 56.01 55.99 2jhb n LEU 105 Cb 0.46 0.00 0.21 0.00 -0.11 0.00 0.00 43.42 43.98 2jhb n LEU 105 CO 0.05 0.00 0.65 0.59 -1.51 0.00 0.00 177.39 177.18 2jhb n ASN 106 N 0.00 0.08 0.00 -1.43 3.02 -1.26 -4.60 115.26 111.07 2jhb n ASN 106 Ca 0.00 0.53 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 2jhb n ASN 106 Cb 0.00 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 2jhb n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jhb n GLY 107 N -0.69 0.53 2.93 7.41 0.00 -1.26 -4.46 105.19 109.66 2jhb n GLY 107 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.00 1.55 -0.76 1.61 1.01 -1.26 -0.23 120.40 121.32 2jhb s VAL 108 Ca 0.00 -1.32 -0.27 0.00 0.00 0.00 0.00 61.98 60.39 2jhb s VAL 108 Cb 0.00 -1.86 0.03 0.00 0.00 0.00 0.00 36.38 34.55 2jhb s VAL 108 CO 0.00 -0.17 1.30 0.00 0.00 0.00 0.00 175.10 176.22 2jhb s VAL 110 N 5.71 1.87 -0.18 0.00 -7.23 -0.24 -1.09 120.40 119.24 2jhb s VAL 110 Ca 0.36 -1.70 0.01 0.00 -1.81 0.00 0.00 61.98 58.84 2jhb s VAL 110 Cb -0.07 -2.58 0.02 0.00 0.56 0.00 0.00 36.38 34.31 2jhb s VAL 110 CO 0.13 0.00 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.12 2jhb s ILE 111 N -2.71 1.92 0.04 -0.62 1.01 0.58 -0.38 121.20 121.05 2jhb s ILE 111 Ca 0.31 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.75 2jhb s ILE 111 Cb 0.02 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 2jhb s ILE 111 CO 0.18 0.47 1.18 0.86 0.00 0.00 0.00 174.94 177.63 2jhb s TRP 112 N 1.33 3.42 0.21 3.97 -0.00 0.36 -0.13 118.94 128.11 2jhb s TRP 112 Ca 0.04 1.32 0.04 0.00 -0.00 0.00 0.00 56.10 57.50 2jhb s TRP 112 Cb -0.14 -3.39 -0.05 0.00 -0.00 0.00 0.00 33.47 29.89 2jhb s TRP 112 CO -0.12 -1.17 -0.03 -1.59 -0.00 0.00 0.00 176.95 174.05 2jhb s LYS 113 N 1.23 1.26 0.00 5.86 -2.85 0.05 -0.71 119.74 124.58 2jhb s LYS 113 Ca 0.58 -1.62 0.00 0.00 -1.00 0.00 0.00 55.97 53.93 2jhb s LYS 113 Cb -0.28 -0.61 0.00 0.00 -2.06 0.00 0.00 37.83 34.88 2jhb s LYS 113 CO 0.28 -0.06 0.00 0.41 0.10 0.00 0.00 175.35 176.08 2jhb n GLY 114 N -0.36 -1.70 2.88 0.59 0.00 -0.00 -0.74 105.19 105.85 2jhb n GLY 114 Ca -0.06 -1.13 -0.23 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 -2.63 1.02 -0.37 1.61 -2.14 0.68 -1.05 118.94 116.06 2jhb s TRP 115 Ca 0.00 -0.39 -0.17 0.00 2.66 0.00 0.00 56.10 58.21 2jhb s TRP 115 Cb 0.00 -0.92 0.00 0.00 -3.10 0.00 0.00 33.47 29.46 2jhb s TRP 115 CO 0.00 -0.33 0.44 0.42 -2.66 0.00 0.00 176.95 174.81 2jhb s ILE 116 N 1.42 5.09 0.47 0.66 -1.09 -0.06 -1.02 121.20 126.66 2jhb s ILE 116 Ca -0.02 0.00 -0.25 0.00 -2.23 0.00 0.00 60.65 58.15 2jhb s ILE 116 Cb -0.13 -3.95 -0.08 0.00 -1.58 0.00 0.00 42.46 36.72 2jhb s ILE 116 CO -0.03 -0.25 1.42 -0.67 -1.23 0.00 0.00 174.94 174.18 2jhb n ASP 117 N 5.59 3.22 0.00 3.58 -0.08 0.10 -0.62 116.55 128.34 2jhb n ASP 117 Ca -0.07 1.09 0.01 0.00 -1.51 0.00 0.00 54.79 54.31 2jhb n ASP 117 Cb 0.49 -1.60 0.06 0.00 2.34 0.00 0.00 41.12 42.40 2jhb n ASP 117 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2jhb n LEU 118 N -0.34 0.00 0.38 -2.67 4.77 -0.33 -2.69 117.00 116.13 2jhb n LEU 118 Ca 0.06 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.87 2jhb n LEU 118 Cb 0.42 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.43 2jhb n LEU 118 CO 0.58 0.00 0.52 0.45 -1.33 0.00 0.00 177.39 177.61 2jhb h HIS 119 N 0.00 -0.91 0.00 -1.77 3.86 -1.86 -3.38 115.15 111.09 2jhb h HIS 119 Ca 0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2jhb h HIS 119 Cb 0.00 0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.77 2jhb h HIS 119 CO 0.00 -0.54 0.00 0.54 0.86 0.00 0.00 177.93 178.79 2jhb n ARG 120 N -5.46 -0.04 -2.28 2.45 5.12 -1.26 -5.00 116.66 110.19 2jhb n ARG 120 Ca -0.13 -0.15 -0.05 0.00 -1.93 0.00 0.00 57.85 55.59 2jhb n ARG 120 Cb 0.40 -0.56 0.03 0.00 -1.16 0.00 0.00 32.46 31.17 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 -0.01 -2.86 -4.40 0.55 7.99 -1.09 -4.90 117.00 112.28 2jhb n LEU 121 Ca 0.00 -0.21 -0.20 0.00 -0.01 0.00 0.00 56.01 55.59 2jhb n LEU 121 Cb 0.26 -1.34 -0.10 0.00 -0.11 0.00 0.00 43.42 42.13 2jhb n LEU 121 CO 0.00 0.08 -0.35 -1.81 -1.51 0.00 0.00 177.39 173.80 2jhb s ASP 122 N -3.30 2.47 0.00 -1.43 1.01 -1.19 -0.92 116.67 113.32 2jhb s ASP 122 Ca 0.06 -1.21 0.00 0.00 0.71 0.00 0.00 52.55 52.11 2jhb s ASP 122 Cb -0.01 -0.11 0.00 0.00 1.01 0.00 0.00 42.92 43.81 2jhb s ASP 122 CO 0.23 -0.41 0.00 0.61 0.21 0.00 0.00 175.17 175.81 2jhb n GLY 123 N -0.54 -0.56 3.41 0.21 0.00 -0.32 -0.72 105.19 106.67 2jhb n GLY 123 Ca -0.05 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.77 1.84 0.03 1.61 -1.94 -0.19 -1.04 119.30 117.84 2jhb s MET 124 Ca 0.00 -1.11 -0.27 0.00 -1.71 0.00 0.00 55.69 52.60 2jhb s MET 124 Cb 0.00 -2.07 0.09 0.00 2.01 0.00 0.00 34.83 34.87 2jhb s MET 124 CO 0.00 0.51 1.23 0.20 -0.01 0.00 0.00 175.02 176.95 2jhb s GLY 125 N -1.56 -0.09 0.05 -0.03 0.00 0.52 -0.23 107.32 105.98 2jhb s GLY 125 Ca 0.14 -0.01 -0.13 0.00 0.00 0.00 0.00 44.72 44.71 2jhb s GLY 125 CO 0.05 4.55 0.63 0.00 0.00 0.00 0.00 173.10 178.33 2jhb s LEU 127 N 0.00 3.58 0.28 0.00 1.43 -1.03 -0.77 118.68 122.18 2jhb s LEU 127 Ca 0.14 -0.18 -0.08 0.00 -1.03 0.00 0.00 54.13 52.97 2jhb s LEU 127 Cb -0.01 -2.79 -0.00 0.00 0.03 0.00 0.00 46.19 43.42 2jhb s LEU 127 CO 0.02 -0.83 0.46 -0.70 0.23 0.00 0.00 176.35 175.53 2jhb s GLU 128 N -4.47 1.68 0.76 1.70 2.56 0.82 -4.73 118.70 117.02 2jhb s GLU 128 Ca 0.54 -1.47 -0.12 0.00 0.00 0.00 0.00 54.97 53.92 2jhb s GLU 128 Cb -0.10 0.45 0.05 0.00 2.00 0.00 0.00 34.13 36.53 2jhb s GLU 128 CO 0.35 -0.70 1.11 0.12 -0.56 0.00 0.00 175.26 175.58 2jhb s PHE 129 N -3.60 3.05 -0.39 5.30 5.36 -1.26 -0.30 117.98 126.14 2jhb s PHE 129 Ca 0.26 1.05 0.02 0.00 -0.96 0.00 0.00 56.93 57.30 2jhb s PHE 129 Cb -0.00 -3.15 0.12 0.00 -0.34 0.00 0.00 43.02 39.65 2jhb s PHE 129 CO 0.13 -1.53 0.16 0.34 -1.46 0.00 0.00 175.22 172.86 2jhb s ASP 130 N -4.18 4.10 0.27 6.13 -1.08 -0.25 -4.04 116.67 117.62 2jhb s ASP 130 Ca 0.60 -2.28 -0.02 0.00 -0.52 0.00 0.00 52.55 50.32 2jhb s ASP 130 Cb -0.13 -1.19 0.38 0.00 -1.46 0.00 0.00 42.92 40.52 2jhb s ASP 130 CO 0.53 -0.33 1.85 -0.08 0.52 0.00 0.00 175.17 177.65 2jhb h GLU 131 N 7.29 0.93 -0.07 4.34 4.81 -1.98 0.12 114.58 130.03 2jhb h GLU 131 Ca -0.06 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 58.95 2jhb h GLU 131 Cb 0.97 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.19 2jhb h GLU 131 CO 0.52 0.77 -0.20 1.49 -0.73 0.00 0.00 179.01 180.86 2jhb h GLU 132 N 0.91 0.25 -0.13 1.92 4.57 -1.95 -1.20 114.58 118.96 2jhb h GLU 132 Ca 0.21 -0.18 -0.08 0.00 -1.18 0.00 0.00 59.36 58.12 2jhb h GLU 132 Cb 0.20 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2jhb h GLU 132 CO -0.02 0.80 -0.30 -0.09 -1.18 0.00 0.00 179.01 178.22 2jhb h ARG 133 N -0.25 0.24 -0.43 1.92 9.65 -1.91 0.52 114.38 124.13 2jhb h ARG 133 Ca -0.01 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 2jhb h ARG 133 Cb 0.82 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.36 2jhb h ARG 133 CO 0.04 0.53 0.28 0.00 2.80 0.00 0.00 179.97 183.62 2jhb h ALA 134 N 1.48 0.55 -0.74 2.80 0.00 -0.64 0.17 119.26 122.88 2jhb h ALA 134 Ca 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2jhb h ALA 134 Cb 0.65 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2jhb h ALA 134 CO 0.05 0.00 0.32 1.96 0.00 0.00 0.00 179.25 181.58 2jhb h GLN 135 N 0.58 1.08 -0.12 0.00 1.08 -0.77 -0.52 115.11 116.44 2jhb h GLN 135 Ca 0.16 -0.17 -0.17 0.00 -1.45 0.00 0.00 58.65 57.02 2jhb h GLN 135 Cb -0.06 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.18 2jhb h GLN 135 CO -0.03 0.86 -0.63 1.96 -0.95 0.00 0.00 178.83 180.04 2jhb h GLN 136 N 1.06 0.45 -0.15 1.46 1.08 -0.25 -1.31 115.11 117.46 2jhb h GLN 136 Ca 0.25 -0.32 -0.19 0.00 -1.45 0.00 0.00 58.65 56.94 2jhb h GLN 136 Cb 0.17 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2jhb h GLN 136 CO -0.03 0.94 -0.68 1.49 -0.95 0.00 0.00 178.83 179.61 2jhb h GLU 137 N 0.33 0.59 -0.22 1.46 4.57 -0.51 0.01 114.58 120.81 2jhb h GLU 137 Ca -0.01 -0.44 -0.00 0.00 -1.18 0.00 0.00 59.36 57.73 2jhb h GLU 137 Cb 1.18 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 2jhb h GLU 137 CO 0.11 1.06 0.13 -0.44 -1.18 0.00 0.00 179.01 178.69 2jhb h ASP 138 N 0.42 0.27 0.13 1.04 5.19 -1.02 0.27 116.42 122.71 2jhb h ASP 138 Ca -0.02 -0.06 0.02 0.00 -0.62 0.00 0.00 57.03 56.35 2jhb h ASP 138 Cb 1.26 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.67 2jhb h ASP 138 CO 0.13 0.25 -0.25 0.00 -3.12 0.00 0.00 179.24 176.25 2jhb h ALA 139 N 1.03 -0.43 0.00 3.45 0.00 -1.17 -2.77 119.26 119.38 2jhb h ALA 139 Ca 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2jhb h ALA 139 Cb 0.03 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2jhb h ALA 139 CO -0.01 -0.78 -0.12 -0.07 0.00 0.00 0.00 179.25 178.26 2jhb h LEU 140 N -0.46 0.00 -4.54 0.00 3.38 -0.72 -1.31 115.31 111.67 2jhb h LEU 140 Ca 0.03 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.73 2jhb h LEU 140 Cb 0.48 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2jhb h LEU 140 CO -0.13 0.12 0.86 0.00 0.09 0.00 0.00 178.44 179.38 2jhb n ALA 141 N -2.34 5.45 -3.66 1.53 0.00 0.91 -4.65 120.51 117.74 2jhb n ALA 141 Ca -0.02 -1.82 -0.28 0.00 0.00 0.00 0.00 53.44 51.32 2jhb n ALA 141 Cb 0.22 -2.57 0.04 0.00 0.00 0.00 0.00 19.45 17.13 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 3.01 -2.02 0.00 0.00 7.27 -1.19 -4.97 117.38 119.48 2jhb n GLN 142 Ca 0.42 0.52 0.00 0.00 0.07 0.00 0.00 57.00 58.01 2jhb n GLN 142 Cb 0.55 -4.50 0.00 0.00 2.41 0.00 0.00 30.24 28.70 2jhb n GLN 142 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07