#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 1.21 -3.86 1.61 7.64 -1.26 -4.95 113.62 114.01 2jhb n SER 2 Ca 0.00 -2.01 -0.33 0.00 1.01 0.00 0.00 58.87 57.55 2jhb n SER 2 Cb 0.00 -0.37 -0.07 0.00 -1.01 0.00 0.00 64.21 62.76 2jhb n SER 2 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2jhb n MET 3 N 0.08 2.68 -1.53 1.43 0.00 -1.26 -5.02 117.12 113.49 2jhb n MET 3 Ca 0.06 -4.55 -0.29 0.00 0.00 0.00 0.00 57.70 52.92 2jhb n MET 3 Cb 1.01 -2.36 0.17 0.00 0.00 0.00 0.00 33.22 32.05 2jhb n MET 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2jhb s PRO 4 N -1.90 0.47 0.00 0.03 0.04 -1.26 -3.65 135.00 128.73 2jhb s PRO 4 Ca 0.31 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.38 2jhb s PRO 4 Cb 0.01 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2jhb s PRO 4 CO -0.07 -2.60 0.00 -2.13 0.04 0.00 0.00 177.00 172.23 2jhb n ARG 5 N -4.00 0.00 -4.47 4.56 3.00 -1.26 -4.58 116.66 109.91 2jhb n ARG 5 Ca 0.10 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.72 2jhb n ARG 5 Cb 0.59 -0.38 -0.10 0.00 0.00 0.00 0.00 32.46 32.57 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 -0.98 1.04 0.28 5.15 -7.23 -1.24 -4.31 120.40 113.11 2jhb s VAL 6 Ca 0.00 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.25 2jhb s VAL 6 Cb 0.00 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 2jhb s VAL 6 CO 0.00 0.00 0.10 0.68 -0.31 0.00 0.00 175.10 175.57 2jhb s VAL 7 N -3.27 3.71 0.44 1.32 -7.23 -0.55 -4.72 120.40 110.10 2jhb s VAL 7 Ca 0.33 -1.69 -0.25 0.00 -1.81 0.00 0.00 61.98 58.56 2jhb s VAL 7 Cb 0.07 -3.06 -0.08 0.00 0.56 0.00 0.00 36.38 33.87 2jhb s VAL 7 CO 0.15 -0.33 1.34 -2.84 -0.31 0.00 0.00 175.10 173.11 2jhb s PRO 8 N -3.77 3.77 -1.01 4.82 0.02 -1.26 -3.68 135.00 133.89 2jhb s PRO 8 Ca 0.33 2.22 -0.15 0.00 0.02 0.00 0.00 61.00 63.42 2jhb s PRO 8 Cb -0.06 -2.64 0.01 0.00 0.02 0.00 0.00 34.50 31.83 2jhb s PRO 8 CO 0.22 -0.68 0.69 -3.47 -0.33 0.00 0.00 177.00 173.44 2jhb n ASP 9 N -0.15 -5.18 -0.34 2.53 -0.08 -1.26 -4.65 116.55 107.42 2jhb n ASP 9 Ca 0.05 -0.96 0.22 0.00 -1.51 0.00 0.00 54.79 52.59 2jhb n ASP 9 Cb 0.44 -2.62 0.46 0.00 2.34 0.00 0.00 41.12 41.74 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 -1.28 0.40 -0.40 -0.67 4.20 -1.90 -0.10 115.11 115.37 2jhb h GLN 10 Ca -0.59 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.05 2jhb h GLN 10 Cb 1.34 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 2jhb h GLN 10 CO 0.43 0.27 0.08 -0.09 -0.67 0.00 0.00 178.83 178.85 2jhb h ARG 11 N 0.41 0.65 -0.75 1.46 9.65 -1.94 0.22 114.38 124.09 2jhb h ARG 11 Ca 0.69 -0.16 -0.04 0.00 -1.10 0.00 0.00 59.98 59.37 2jhb h ARG 11 Cb 1.54 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 30.01 2jhb h ARG 11 CO -0.51 0.69 0.33 1.03 2.80 0.00 0.00 179.97 184.30 2jhb h SER 12 N 0.51 1.01 0.40 -3.80 0.87 -1.43 -2.48 113.55 108.63 2jhb h SER 12 Ca 0.12 -0.15 -0.11 0.00 -1.23 0.00 0.00 61.79 60.42 2jhb h SER 12 Cb 0.34 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2jhb h SER 12 CO 0.00 0.88 -0.48 0.50 -0.53 0.00 0.00 176.83 177.21 2jhb h LYS 13 N 1.07 0.10 -0.57 2.24 1.63 -0.69 0.88 116.57 121.24 2jhb h LYS 13 Ca 0.25 -0.05 0.08 0.00 -0.85 0.00 0.00 60.65 60.08 2jhb h LYS 13 Cb 0.17 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.73 2jhb h LYS 13 CO -0.03 0.56 0.22 0.35 -3.45 0.00 0.00 179.45 177.10 2jhb h PHE 14 N 0.08 0.38 -0.14 1.91 3.57 -0.26 0.12 116.94 122.60 2jhb h PHE 14 Ca 0.00 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.34 2jhb h PHE 14 Cb 0.88 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 2jhb h PHE 14 CO 0.01 0.11 -0.67 1.05 -2.23 0.00 0.00 178.31 176.58 2jhb h GLU 15 N 0.40 0.57 0.08 1.11 4.11 -0.98 -3.38 114.58 116.49 2jhb h GLU 15 Ca 0.28 -0.42 -0.31 0.00 0.07 0.00 0.00 59.36 58.99 2jhb h GLU 15 Cb 0.32 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2jhb h GLU 15 CO -0.28 1.04 -1.61 -0.91 0.07 0.00 0.00 179.01 177.32 2jhb h ASN 16 N 0.41 0.27 -1.55 3.06 2.35 -0.13 -3.46 115.58 116.53 2jhb h ASN 16 Ca -0.02 -0.44 -0.71 0.00 -0.55 0.00 0.00 56.30 54.58 2jhb h ASN 16 Cb 1.25 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 39.54 2jhb h ASN 16 CO 0.13 1.38 1.01 -0.62 -1.65 0.00 0.00 177.43 177.67 2jhb n GLU 17 N -3.35 1.30 0.29 0.81 -0.58 0.34 -4.84 120.64 114.60 2jhb n GLU 17 Ca -0.18 0.46 0.16 0.00 -0.42 0.00 0.00 57.16 57.19 2jhb n GLU 17 Cb 1.04 -2.22 0.87 0.00 -0.57 0.00 0.00 31.44 30.56 2jhb n GLU 17 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2jhb h GLU 18 N 8.17 0.00 0.42 3.49 4.22 -1.90 -0.47 114.58 128.51 2jhb h GLU 18 Ca -0.44 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 58.99 2jhb h GLU 18 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 2jhb h GLU 18 CO 0.97 0.06 -0.31 0.35 -2.18 0.00 0.00 179.01 177.90 2jhb h PHE 19 N 0.00 -0.81 -0.00 0.92 3.04 -1.98 -3.07 116.94 115.03 2jhb h PHE 19 Ca -0.00 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.85 2jhb h PHE 19 Cb 0.23 0.30 -0.01 0.00 2.56 0.00 0.00 35.95 39.02 2jhb h PHE 19 CO 0.00 -0.46 -0.44 0.74 -2.02 0.00 0.00 178.31 176.14 2jhb h PHE 20 N -0.72 0.01 -0.68 0.41 0.04 -1.48 -2.93 116.94 111.60 2jhb h PHE 20 Ca -0.04 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.73 2jhb h PHE 20 Cb 0.61 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.72 2jhb h PHE 20 CO -0.13 0.45 0.45 0.00 -0.60 0.00 0.00 178.31 178.48 2jhb h ARG 21 N 0.01 0.89 -0.18 1.51 2.47 -1.22 0.25 114.38 118.11 2jhb h ARG 21 Ca -0.00 -0.05 -0.10 0.00 -1.26 0.00 0.00 59.98 58.56 2jhb h ARG 21 Cb 0.78 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.89 2jhb h ARG 21 CO 0.06 0.59 -0.34 0.87 0.56 0.00 0.00 179.97 181.71 2jhb h LYS 22 N 0.92 0.37 0.01 0.04 1.57 -1.42 -2.87 116.57 115.19 2jhb h LYS 22 Ca 0.25 -0.16 -0.20 0.00 -1.87 0.00 0.00 60.65 58.67 2jhb h LYS 22 Cb -0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2jhb h LYS 22 CO -0.05 0.66 -0.91 -0.07 -0.57 0.00 0.00 179.45 178.51 2jhb h LEU 23 N 0.31 0.25 0.00 2.94 3.38 -1.17 -3.40 115.31 117.62 2jhb h LEU 23 Ca 0.04 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2jhb h LEU 23 Cb 0.75 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2jhb h LEU 23 CO 0.06 1.04 0.00 -0.24 0.09 0.00 0.00 178.44 179.38 2jhb n SER 24 N -3.63 0.00 -2.11 -0.43 2.88 0.75 -4.83 113.62 106.26 2jhb n SER 24 Ca -0.04 0.00 -0.01 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 4.95 1.87 -1.02 -1.46 1.74 -1.26 -4.25 116.66 117.23 2jhb n ARG 25 Ca 0.00 -0.15 -0.32 0.00 -0.77 0.00 0.00 57.85 56.60 2jhb n ARG 25 Cb 0.00 0.04 -0.10 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 -0.13 0.00 -4.25 5.56 0.00 -1.26 -4.83 120.64 115.73 2jhb n GLU 26 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 56.96 2jhb n GLU 26 Cb 0.03 -1.06 -0.07 0.00 0.00 0.00 0.00 31.44 30.33 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 -3.31 4.43 0.14 0.00 2.12 -1.26 -0.66 118.70 120.16 2jhb s GLU 28 Ca 0.39 1.25 0.01 0.00 0.36 0.00 0.00 54.97 56.98 2jhb s GLU 28 Cb 0.02 -2.55 -0.04 0.00 0.26 0.00 0.00 34.13 31.81 2jhb s GLU 28 CO 0.27 0.15 0.00 0.96 -0.54 0.00 0.00 175.26 176.11 2jhb s ILE 29 N -1.83 0.50 0.03 -3.70 -4.36 -0.33 -0.63 121.20 110.87 2jhb s ILE 29 Ca 0.55 -1.94 -0.17 0.00 -0.26 0.00 0.00 60.65 58.83 2jhb s ILE 29 Cb -0.15 -2.00 0.03 0.00 1.25 0.00 0.00 42.46 41.60 2jhb s ILE 29 CO 0.20 -0.57 0.38 -0.75 0.24 0.00 0.00 174.94 174.44 2jhb s LYS 30 N -3.94 0.86 0.57 0.37 2.20 0.32 -2.36 119.74 117.76 2jhb s LYS 30 Ca 0.21 -0.34 -0.19 0.00 -0.36 0.00 0.00 55.97 55.30 2jhb s LYS 30 Cb 0.06 0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 36.72 2jhb s LYS 30 CO 0.01 -0.28 1.14 -0.47 -0.36 0.00 0.00 175.35 175.39 2jhb s TYR 31 N -2.23 2.62 0.00 4.03 5.04 0.75 -0.32 117.35 127.24 2jhb s TYR 31 Ca -0.07 1.54 0.00 0.00 -2.44 0.00 0.00 57.07 56.10 2jhb s TYR 31 Cb -0.02 -3.30 0.00 0.00 0.35 0.00 0.00 41.96 39.00 2jhb s TYR 31 CO -0.01 -1.69 0.53 -2.37 -1.34 0.00 0.00 175.55 170.67 2jhb n THR 32 N -1.54 0.08 -0.04 4.34 5.66 -0.31 -4.70 114.28 117.78 2jhb n THR 32 Ca 0.12 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 2jhb n THR 32 Cb 0.51 0.98 0.00 0.00 -1.55 0.00 0.00 70.33 70.27 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 -0.04 -2.89 0.00 1.09 0.00 0.59 -4.79 105.19 99.15 2jhb n GLY 33 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.08 0.00 -1.53 1.61 7.35 -1.26 -4.83 117.46 117.73 2jhb n PHE 34 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2jhb n PHE 34 Cb 0.00 -0.14 0.00 0.00 0.35 0.00 0.00 39.48 39.69 2jhb n PHE 34 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 2jhb n ARG 35 N -0.91 -1.87 0.00 -4.13 -4.01 -1.26 -4.82 116.66 99.66 2jhb n ARG 35 Ca 0.00 0.00 0.14 0.00 -1.04 0.00 0.00 57.85 56.95 2jhb n ARG 35 Cb 0.00 -3.06 0.52 0.00 -3.04 0.00 0.00 32.46 26.88 2jhb n ARG 35 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 2jhb n ASP 36 N -0.50 0.29 -4.55 2.89 2.03 -1.26 -4.76 116.55 110.69 2jhb n ASP 36 Ca 0.00 -0.08 -0.31 0.00 0.52 0.00 0.00 54.79 54.93 2jhb n ASP 36 Cb 0.24 -0.15 0.19 0.00 -0.72 0.00 0.00 41.12 40.68 2jhb n ASP 36 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2jhb n ARG 37 N -1.31 -1.13 -0.70 -0.67 5.12 -1.26 -4.96 116.66 111.75 2jhb n ARG 37 Ca 0.09 -0.28 -0.31 0.00 -1.93 0.00 0.00 57.85 55.43 2jhb n ARG 37 Cb 0.31 -2.21 0.17 0.00 -1.16 0.00 0.00 32.46 29.58 2jhb n ARG 37 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2jhb s PRO 38 N -4.36 0.83 0.48 5.56 0.04 -1.26 -4.29 135.00 131.99 2jhb s PRO 38 Ca 0.66 1.46 -0.24 0.00 0.04 0.00 0.00 61.00 62.91 2jhb s PRO 38 Cb -0.23 -1.71 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 2jhb s PRO 38 CO 0.62 -2.73 1.32 0.72 0.04 0.00 0.00 177.00 176.97 2jhb n HIS 39 N -4.29 2.25 -0.03 0.56 8.25 -1.26 -1.44 115.22 119.27 2jhb n HIS 39 Ca 0.11 0.46 0.00 0.00 -0.26 0.00 0.00 57.72 58.03 2jhb n HIS 39 Cb 0.52 -2.38 0.00 0.00 1.12 0.00 0.00 29.99 29.25 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 -0.38 0.00 -0.02 -0.41 4.07 -1.26 -4.77 120.64 117.87 2jhb n GLU 40 Ca 0.08 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.15 2jhb n GLU 40 Cb 0.42 -1.27 -0.02 0.00 -0.06 0.00 0.00 31.44 30.51 2jhb n GLU 40 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2jhb n GLU 41 N -2.00 0.92 0.30 5.31 4.07 -0.52 -4.76 120.64 123.97 2jhb n GLU 41 Ca 0.00 0.02 0.17 0.00 -0.06 0.00 0.00 57.16 57.29 2jhb n GLU 41 Cb 0.00 -1.09 0.97 0.00 -0.06 0.00 0.00 31.44 31.27 2jhb n GLU 41 CO 0.00 0.00 0.00 0.07 -0.06 0.00 0.00 177.13 177.14 2jhb h ARG 42 N 0.00 0.00 0.21 5.31 0.11 -1.47 -3.29 114.38 115.24 2jhb h ARG 42 Ca -0.10 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.98 2jhb h ARG 42 Cb 1.16 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.23 2jhb h ARG 42 CO -0.01 0.02 -0.17 1.96 0.10 0.00 0.00 179.97 181.87 2jhb h GLN 43 N 0.00 -0.37 -0.37 0.08 1.08 -1.86 -0.77 115.11 112.89 2jhb h GLN 43 Ca -0.00 0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.18 2jhb h GLN 43 Cb 0.07 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2jhb h GLN 43 CO 0.00 -0.25 0.06 1.15 -0.95 0.00 0.00 178.83 178.84 2jhb h THR 44 N -0.39 1.24 -0.15 -0.54 2.02 -1.94 -2.13 112.91 111.02 2jhb h THR 44 Ca -0.01 -0.85 -0.05 0.00 0.77 0.00 0.00 66.41 66.28 2jhb h THR 44 Cb 0.35 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2jhb h THR 44 CO -0.02 0.29 -0.13 -0.09 0.37 0.00 0.00 175.52 175.93 2jhb h ARG 45 N 0.45 0.25 0.36 6.66 2.43 -1.71 0.14 114.38 122.96 2jhb h ARG 45 Ca 0.11 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2jhb h ARG 45 Cb 0.36 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2jhb h ARG 45 CO 0.01 0.39 -0.31 0.35 -1.51 0.00 0.00 179.97 178.90 2jhb h PHE 46 N 0.23 -0.81 0.00 2.20 3.57 -0.52 0.23 116.94 121.84 2jhb h PHE 46 Ca 0.05 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 2jhb h PHE 46 Cb 0.39 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 2jhb h PHE 46 CO 0.01 -0.45 -0.23 1.96 -2.23 0.00 0.00 178.31 177.37 2jhb h GLN 47 N -0.67 0.00 -0.20 1.11 4.20 -0.99 -0.29 115.11 118.27 2jhb h GLN 47 Ca -0.03 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.55 2jhb h GLN 47 Cb 0.60 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2jhb h GLN 47 CO -0.03 0.23 -0.43 -0.91 -0.67 0.00 0.00 178.83 177.02 2jhb h ASN 48 N 0.00 0.50 0.16 1.46 2.35 -0.37 -0.05 115.58 119.64 2jhb h ASN 48 Ca -0.00 -0.23 -0.20 0.00 -0.55 0.00 0.00 56.30 55.32 2jhb h ASN 48 Cb 0.47 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.70 2jhb h ASN 48 CO 0.03 0.87 -0.78 0.00 -1.65 0.00 0.00 177.43 175.90 2jhb h ALA 49 N 1.15 0.48 -0.72 -0.83 0.00 0.25 0.47 119.26 120.06 2jhb h ALA 49 Ca 0.03 -0.62 0.01 0.00 0.00 0.00 0.00 54.91 54.32 2jhb h ALA 49 Cb 0.91 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2jhb h ALA 49 CO 0.08 0.75 0.47 0.00 0.00 0.00 0.00 179.25 180.55 2jhb h ARG 51 N 0.98 1.07 0.00 0.00 2.43 -0.75 -1.70 114.38 116.41 2jhb h ARG 51 Ca 0.26 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2jhb h ARG 51 Cb -0.10 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.32 2jhb h ARG 51 CO -0.06 0.97 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.92 2jhb h ASP 52 N 1.00 0.00 0.00 -3.80 3.32 -0.34 0.14 116.42 116.74 2jhb h ASP 52 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2jhb h ASP 52 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2jhb h ASP 52 CO 0.01 0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.16 2jhb n GLY 53 N -0.83 0.10 3.63 2.75 0.00 -0.62 -3.73 105.19 106.49 2jhb n GLY 53 Ca -0.02 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 44.12 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 0.38 -1.67 1.61 -4.01 -1.26 -4.25 116.66 107.46 2jhb n ARG 54 Ca 0.00 0.19 -0.01 0.00 -1.04 0.00 0.00 57.85 56.99 2jhb n ARG 54 Cb 0.00 -2.28 -0.00 0.00 -3.04 0.00 0.00 32.46 27.14 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 -2.16 -0.10 -3.76 2.89 2.88 0.63 -4.82 113.62 109.18 2jhb n SER 55 Ca 0.13 -1.13 -0.20 0.00 -1.33 0.00 0.00 58.87 56.34 2jhb n SER 55 Cb 0.50 0.19 -0.17 0.00 -0.75 0.00 0.00 64.21 63.97 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 -2.05 0.34 0.01 -1.46 8.01 -1.26 -1.54 118.70 120.75 2jhb s GLU 56 Ca 0.02 0.17 0.04 0.00 0.01 0.00 0.00 54.97 55.20 2jhb s GLU 56 Cb -0.00 -0.71 -0.01 0.00 -4.31 0.00 0.00 34.13 29.10 2jhb s GLU 56 CO 0.01 -0.26 -0.12 0.42 0.01 0.00 0.00 175.26 175.33 2jhb s ILE 57 N 1.74 0.92 -0.06 -1.63 1.01 -0.17 -0.30 121.20 122.71 2jhb s ILE 57 Ca 0.01 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.02 2jhb s ILE 57 Cb -0.13 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.55 2jhb s ILE 57 CO -0.03 0.13 -0.15 0.00 0.00 0.00 0.00 174.94 174.88 2jhb s ALA 58 N -0.51 1.43 0.47 9.38 0.00 0.57 -0.43 121.76 132.68 2jhb s ALA 58 Ca 0.02 -0.58 -0.23 0.00 0.00 0.00 0.00 51.96 51.18 2jhb s ALA 58 Cb -0.06 -0.55 -0.07 0.00 0.00 0.00 0.00 23.12 22.45 2jhb s ALA 58 CO 0.00 0.20 1.21 -0.06 0.00 0.00 0.00 175.76 177.11 2jhb s PHE 59 N 0.34 2.76 0.05 0.00 0.40 -1.11 -0.52 117.98 119.90 2jhb s PHE 59 Ca -0.10 1.50 -0.18 0.00 -0.60 0.00 0.00 56.93 57.55 2jhb s PHE 59 Cb -0.14 -3.48 -0.15 0.00 0.51 0.00 0.00 43.02 39.76 2jhb s PHE 59 CO 0.03 -1.80 1.29 0.28 0.70 0.00 0.00 175.22 175.72 2jhb h VAL 60 N 1.83 1.36 -0.68 -0.44 2.07 -1.16 -0.67 116.25 118.56 2jhb h VAL 60 Ca -0.50 -1.61 0.11 0.00 0.82 0.00 0.00 66.70 65.53 2jhb h VAL 60 Cb 1.26 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 32.99 2jhb h VAL 60 CO 0.60 0.48 0.45 0.00 0.02 0.00 0.00 177.57 179.12 2jhb h ALA 61 N 0.55 2.01 0.00 1.67 0.00 -1.92 -3.24 119.26 118.32 2jhb h ALA 61 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jhb h ALA 61 Cb 0.94 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2jhb h ALA 61 CO 0.07 -0.17 -0.20 2.41 0.00 0.00 0.00 179.25 181.37 2jhb n THR 62 N -4.48 0.00 -2.48 0.00 -1.04 -1.26 -5.05 114.28 99.97 2jhb n THR 62 Ca 0.12 -0.04 -0.06 0.00 -2.04 0.00 0.00 64.05 62.02 2jhb n THR 62 Cb 0.41 0.40 0.01 0.00 -1.82 0.00 0.00 70.33 69.33 2jhb n THR 62 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jhb n GLY 63 N 0.58 0.36 3.50 3.41 0.00 -0.26 -4.98 105.19 107.81 2jhb n GLY 63 Ca 0.00 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.72 4.06 0.01 2.61 2.01 -1.25 -4.81 115.64 115.55 2jhb s THR 64 Ca 0.09 -0.11 -0.33 0.00 0.31 0.00 0.00 61.69 61.64 2jhb s THR 64 Cb -0.04 -4.81 -0.12 0.00 0.01 0.00 0.00 72.50 67.54 2jhb s THR 64 CO 0.11 -1.66 1.83 -3.20 -0.69 0.00 0.00 174.62 171.00 2jhb n ASN 65 N 8.44 3.54 -3.70 3.53 5.15 -1.26 -2.75 115.26 128.21 2jhb n ASN 65 Ca 0.02 0.99 -0.25 0.00 -0.60 0.00 0.00 54.58 54.75 2jhb n ASN 65 Cb 0.47 -1.42 -0.17 0.00 -0.53 0.00 0.00 39.78 38.13 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 3.30 0.62 -0.38 1.20 0.20 0.43 -4.97 118.68 119.07 2jhb s LEU 66 Ca 0.88 -0.43 -0.29 0.00 0.69 0.00 0.00 54.13 54.98 2jhb s LEU 66 Cb -0.63 -0.38 -0.00 0.00 -0.43 0.00 0.00 46.19 44.75 2jhb s LEU 66 CO 0.46 -0.28 1.60 -0.44 -0.29 0.00 0.00 176.35 177.39 2jhb s SER 67 N 2.02 6.10 0.13 3.68 0.01 -1.26 -1.00 113.70 123.38 2jhb s SER 67 Ca 0.02 1.02 -0.30 0.00 1.31 0.00 0.00 55.95 58.01 2jhb s SER 67 Cb -0.15 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.49 2jhb s SER 67 CO -0.07 -1.59 0.97 -0.76 0.41 0.00 0.00 173.24 172.21 2jhb s LEU 68 N 6.19 4.52 -0.03 2.44 1.43 -0.59 -4.94 118.68 127.69 2jhb s LEU 68 Ca 0.70 1.83 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 2jhb s LEU 68 Cb -0.18 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.48 2jhb s LEU 68 CO 0.33 -0.05 0.01 0.00 0.23 0.00 0.00 176.35 176.87 2jhb s GLN 69 N -0.16 0.16 -1.01 1.70 0.00 -1.26 -0.27 119.66 118.82 2jhb s GLN 69 Ca 0.46 0.13 -0.03 0.00 -0.00 0.00 0.00 55.36 55.93 2jhb s GLN 69 Cb -0.24 -0.40 0.30 0.00 0.00 0.00 0.00 33.01 32.67 2jhb s GLN 69 CO 0.30 -0.16 1.38 1.19 0.00 0.00 0.00 175.29 178.01 2jhb n PHE 70 N 4.22 2.43 -3.90 9.60 3.01 -1.26 -4.26 117.46 127.30 2jhb n PHE 70 Ca -0.26 -2.80 -0.28 0.00 1.01 0.00 0.00 57.45 55.12 2jhb n PHE 70 Cb 0.50 -1.15 -0.12 0.00 -0.01 0.00 0.00 39.48 38.70 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 -2.77 3.46 1.25 1.38 -0.71 -1.26 -4.64 117.98 114.69 2jhb s PHE 71 Ca 0.32 -3.29 -0.17 0.00 -1.04 0.00 0.00 56.93 52.75 2jhb s PHE 71 Cb 0.06 -2.69 0.31 0.00 -1.21 0.00 0.00 43.02 39.50 2jhb s PHE 71 CO 0.09 -0.58 1.01 -1.25 -1.34 0.00 0.00 175.22 173.15 2jhb s PRO 72 N -1.25 -1.60 -1.14 1.99 0.04 -1.26 -4.73 135.00 127.05 2jhb s PRO 72 Ca 0.24 0.40 -0.09 0.00 0.04 0.00 0.00 61.00 61.59 2jhb s PRO 72 Cb -0.08 -1.51 -0.07 0.00 0.04 0.00 0.00 34.50 32.89 2jhb s PRO 72 CO -0.14 -4.06 2.34 0.00 0.04 0.00 0.00 177.00 175.18 2jhb n ALA 73 N -5.09 5.42 0.00 8.56 0.00 -1.26 -0.92 120.51 127.22 2jhb n ALA 73 Ca 0.08 -2.72 0.00 0.00 0.00 0.00 0.00 53.44 50.80 2jhb n ALA 73 Cb 0.57 -3.22 0.00 0.00 0.00 0.00 0.00 19.45 16.81 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 4.55 0.00 -0.52 0.00 2.88 -1.26 -5.17 113.62 114.09 2jhb n SER 74 Ca 0.55 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 2jhb n SER 74 Cb 0.21 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.67 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 -0.19 -1.58 0.00 0.66 7.02 -0.10 -5.00 117.44 118.26 2jhb n TRP 75 Ca 0.00 0.04 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 2jhb n TRP 75 Cb 0.00 0.07 0.00 0.00 -2.42 0.00 0.00 31.31 28.96 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 -1.09 0.00 0.00 -0.99 6.02 -1.26 -4.73 117.38 115.33 2jhb n GLN 76 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2jhb n GLN 76 Cb 0.02 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.28 2jhb n GLN 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jhb n GLY 77 N 1.06 1.73 3.38 1.08 0.00 -1.26 -4.60 105.19 106.59 2jhb n GLY 77 Ca 0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 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 1.03 -0.98 1.61 2.02 -1.26 -4.97 118.70 116.15 2jhb s GLU 78 Ca 0.00 -0.27 -0.01 0.00 0.02 0.00 0.00 54.97 54.71 2jhb s GLU 78 Cb 0.00 0.47 0.00 0.00 0.10 0.00 0.00 34.13 34.70 2jhb s GLU 78 CO 0.00 -0.37 0.01 0.94 0.02 0.00 0.00 175.26 175.86 2jhb n GLN 79 N 0.38 -0.95 -1.29 1.61 0.00 -1.24 -4.33 117.38 111.55 2jhb n GLN 79 Ca -0.18 0.05 0.00 0.00 -0.00 0.00 0.00 57.00 56.87 2jhb n GLN 79 Cb 0.60 -2.24 0.00 0.00 0.00 0.00 0.00 30.24 28.60 2jhb n GLN 79 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 2jhb n ARG 80 N -3.28 -2.01 0.00 3.69 1.85 0.48 -4.83 116.66 112.57 2jhb n ARG 80 Ca -0.21 1.55 0.00 0.00 -1.00 0.00 0.00 57.85 58.19 2jhb n ARG 80 Cb 0.44 -2.18 0.00 0.00 -1.05 0.00 0.00 32.46 29.68 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 -2.11 0.00 -3.40 2.89 0.00 -1.26 -4.94 117.38 108.56 2jhb n GLN 81 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.00 56.82 2jhb n GLN 81 Cb 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.34 2jhb n GLN 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2jhb s THR 82 N 0.89 -0.34 0.00 1.69 2.01 -1.26 -5.15 115.64 113.48 2jhb s THR 82 Ca 0.00 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.30 2jhb s THR 82 Cb 0.00 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.60 2jhb s THR 82 CO 0.00 -0.54 0.00 -0.81 -0.69 0.00 0.00 174.62 172.58 2jhb n PRO 83 N 4.95 0.52 -2.24 4.92 -0.04 -1.26 -5.08 135.00 136.77 2jhb n PRO 83 Ca 0.02 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.20 2jhb n PRO 83 Cb 0.45 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.94 2jhb n PRO 83 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2jhb s SER 84 N -1.07 5.71 0.22 3.54 0.01 -1.26 -4.90 113.70 115.95 2jhb s SER 84 Ca 0.00 0.92 0.04 0.00 1.31 0.00 0.00 55.95 58.23 2jhb s SER 84 Cb 0.00 -1.91 0.20 0.00 0.21 0.00 0.00 66.02 64.52 2jhb s SER 84 CO 0.00 -1.05 1.52 -0.09 0.41 0.00 0.00 173.24 174.03 2jhb h ARG 85 N -0.26 0.21 -0.01 12.44 2.43 -1.80 -0.54 114.38 126.85 2jhb h ARG 85 Ca -0.45 -0.16 -0.18 0.00 -0.81 0.00 0.00 59.98 58.37 2jhb h ARG 85 Cb 1.24 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 2jhb h ARG 85 CO 0.62 0.80 -0.81 1.49 -1.51 0.00 0.00 179.97 180.55 2jhb h GLU 86 N 0.15 0.17 0.21 0.20 4.81 -1.89 -3.33 114.58 114.90 2jhb h GLU 86 Ca -0.01 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 2jhb h GLU 86 Cb 1.19 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2jhb h GLU 86 CO 0.10 0.89 -0.10 1.88 -0.73 0.00 0.00 179.01 181.05 2jhb h TYR 87 N 0.10 -0.26 -3.30 0.92 -1.99 -1.50 -2.76 116.97 108.18 2jhb h TYR 87 Ca -0.03 -0.01 -0.13 0.00 2.00 0.00 0.00 58.73 60.57 2jhb h TYR 87 Cb 1.41 0.09 -0.20 0.00 2.00 0.00 0.00 36.73 40.03 2jhb h TYR 87 CO 0.02 -0.16 -0.37 0.08 -0.00 0.00 0.00 178.16 177.73 2jhb s VAL 88 N -3.37 0.08 -0.04 -2.88 1.01 -0.30 -3.04 120.40 111.85 2jhb s VAL 88 Ca -0.04 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 2jhb s VAL 88 Cb 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 36.38 35.79 2jhb s VAL 88 CO 0.12 -0.34 0.04 -0.67 0.00 0.00 0.00 175.10 174.25 2jhb n ASP 89 N 1.22 -1.84 -1.27 3.32 2.03 -1.25 -4.22 116.55 114.54 2jhb n ASP 89 Ca -0.22 0.27 0.02 0.00 0.52 0.00 0.00 54.79 55.39 2jhb n ASP 89 Cb 0.56 -1.85 0.01 0.00 -0.72 0.00 0.00 41.12 39.12 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 0.31 0.60 0.00 -2.67 -0.00 -1.26 -4.53 117.00 109.45 2jhb n LEU 90 Ca -0.08 -1.83 0.00 0.00 -0.00 0.00 0.00 56.01 54.10 2jhb n LEU 90 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.54 2jhb n LEU 90 CO 0.08 0.59 0.00 1.21 -0.00 0.00 0.00 177.39 179.28 2jhb n GLU 91 N 0.36 0.00 -0.02 1.47 2.13 -1.26 -3.87 120.64 119.45 2jhb n GLU 91 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2jhb n GLU 91 Cb 1.02 -2.99 0.00 0.00 0.27 0.00 0.00 31.44 29.73 2jhb n GLU 91 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2jhb n ARG 92 N -1.59 0.00 -2.49 5.31 0.63 -1.26 -5.14 116.66 112.12 2jhb n ARG 92 Ca 0.00 0.02 -0.25 0.00 -0.92 0.00 0.00 57.85 56.70 2jhb n ARG 92 Cb 0.00 0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.04 2jhb n ARG 92 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2jhb s GLU 93 N -3.50 1.38 -0.72 -0.14 0.41 -1.00 -4.96 118.70 110.15 2jhb s GLU 93 Ca 0.00 -1.07 -0.26 0.00 -0.41 0.00 0.00 54.97 53.23 2jhb s GLU 93 Cb 0.00 -2.24 -0.03 0.00 -1.78 0.00 0.00 34.13 30.09 2jhb s GLU 93 CO 0.00 -1.71 1.86 0.00 -0.49 0.00 0.00 175.26 174.92 2jhb s ALA 94 N -3.31 2.04 0.00 5.21 0.00 -1.26 -3.85 121.76 120.59 2jhb s ALA 94 Ca 0.69 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.64 2jhb s ALA 94 Cb -0.04 -4.39 0.00 0.00 0.00 0.00 0.00 23.12 18.69 2jhb s ALA 94 CO 0.46 -4.18 0.00 0.41 0.00 0.00 0.00 175.76 172.46 2jhb n GLY 95 N 6.10 1.10 3.28 0.00 0.00 -1.26 -4.93 105.19 109.48 2jhb n GLY 95 Ca 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.18 1.13 0.11 1.61 -2.85 -1.25 -0.49 119.74 117.82 2jhb s LYS 96 Ca 0.00 -1.49 0.01 0.00 -1.00 0.00 0.00 55.97 53.49 2jhb s LYS 96 Cb 0.00 -0.75 -0.04 0.00 -2.06 0.00 0.00 37.83 34.98 2jhb s LYS 96 CO 0.00 0.10 0.24 0.54 0.10 0.00 0.00 175.35 176.34 2jhb s VAL 97 N -3.23 5.31 -0.07 1.79 0.11 0.74 -2.38 120.40 122.67 2jhb s VAL 97 Ca 0.18 -0.57 -0.05 0.00 -2.93 0.00 0.00 61.98 58.61 2jhb s VAL 97 Cb 0.02 -3.67 -0.04 0.00 -1.53 0.00 0.00 36.38 31.16 2jhb s VAL 97 CO 0.02 0.02 0.16 -0.31 -3.33 0.00 0.00 175.10 171.66 2jhb s TYR 98 N -1.63 3.58 -0.13 1.54 1.51 -1.26 -0.91 117.35 120.04 2jhb s TYR 98 Ca 0.35 0.47 -0.09 0.00 -1.01 0.00 0.00 57.07 56.78 2jhb s TYR 98 Cb -0.12 -1.90 0.04 0.00 -0.11 0.00 0.00 41.96 39.87 2jhb s TYR 98 CO 0.28 0.70 0.34 -1.17 -1.11 0.00 0.00 175.55 174.58 2jhb s LEU 99 N -1.41 0.39 -0.24 -1.29 1.98 -0.74 -4.75 118.68 112.63 2jhb s LEU 99 Ca 0.20 0.70 -0.26 0.00 -2.89 0.00 0.00 54.13 51.88 2jhb s LEU 99 Cb -0.12 1.10 0.10 0.00 0.66 0.00 0.00 46.19 47.93 2jhb s LEU 99 CO 0.10 -0.15 0.91 -0.75 -1.89 0.00 0.00 176.35 174.57 2jhb s LYS 100 N 0.83 0.66 -0.11 1.98 2.20 -1.06 -0.58 119.74 123.66 2jhb s LYS 100 Ca -0.05 0.60 -0.08 0.00 -0.36 0.00 0.00 55.97 56.08 2jhb s LYS 100 Cb -0.06 0.32 0.04 0.00 -1.51 0.00 0.00 37.83 36.61 2jhb s LYS 100 CO -0.06 -0.12 0.27 0.00 -0.36 0.00 0.00 175.35 175.08 2jhb s ALA 101 N -0.08 -0.64 0.33 3.13 0.00 -0.14 -4.36 121.76 120.00 2jhb s ALA 101 Ca 0.00 0.90 -0.28 0.00 0.00 0.00 0.00 51.96 52.58 2jhb s ALA 101 Cb -0.04 -0.54 -0.09 0.00 0.00 0.00 0.00 23.12 22.44 2jhb s ALA 101 CO -0.02 -0.16 1.14 -1.25 0.00 0.00 0.00 175.76 175.47 2jhb s PRO 102 N 0.66 4.42 0.24 0.00 0.04 -1.26 -0.90 135.00 138.20 2jhb s PRO 102 Ca -0.04 1.84 0.05 0.00 0.04 0.00 0.00 61.00 62.89 2jhb s PRO 102 Cb -0.06 -2.99 -0.05 0.00 0.04 0.00 0.00 34.50 31.44 2jhb s PRO 102 CO -0.04 -0.00 -0.04 -1.64 0.04 0.00 0.00 177.00 175.32 2jhb s MET 103 N -1.80 1.40 -0.32 4.56 -1.94 0.18 -4.48 119.30 116.90 2jhb s MET 103 Ca 0.49 -1.70 -0.02 0.00 -1.71 0.00 0.00 55.69 52.76 2jhb s MET 103 Cb -0.32 -0.85 0.12 0.00 2.01 0.00 0.00 34.83 35.79 2jhb s MET 103 CO 0.41 -0.02 0.16 0.42 -0.01 0.00 0.00 175.02 175.98 2jhb s ILE 104 N -3.23 0.22 -0.40 2.53 1.01 -1.25 -3.49 121.20 116.58 2jhb s ILE 104 Ca 0.28 -1.28 -0.14 0.00 0.00 0.00 0.00 60.65 59.51 2jhb s ILE 104 Cb 0.04 -1.18 0.03 0.00 0.01 0.00 0.00 42.46 41.36 2jhb s ILE 104 CO 0.09 -0.82 0.27 -0.76 0.00 0.00 0.00 174.94 173.72 2jhb s LEU 105 N 1.58 5.00 0.00 2.97 2.01 -0.59 -4.48 118.68 125.17 2jhb s LEU 105 Ca 0.13 -0.96 0.00 0.00 0.01 0.00 0.00 54.13 53.31 2jhb s LEU 105 Cb -0.19 -2.11 0.00 0.00 0.01 0.00 0.00 46.19 43.90 2jhb s LEU 105 CO -0.20 -0.44 0.00 -3.20 1.01 0.00 0.00 176.35 173.52 2jhb n ASN 106 N 5.10 0.00 0.00 2.29 2.85 -1.26 -0.88 115.26 123.37 2jhb n ASN 106 Ca -0.11 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.36 2jhb n ASN 106 Cb 0.46 -0.86 0.00 0.00 1.24 0.00 0.00 39.78 40.63 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 -1.56 0.07 3.60 8.20 0.00 -1.26 -4.55 105.19 109.69 2jhb n GLY 107 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.87 5.13 -1.00 1.61 1.01 -0.05 -1.49 120.40 124.73 2jhb s VAL 108 Ca 0.00 0.59 -0.23 0.00 0.00 0.00 0.00 61.98 62.34 2jhb s VAL 108 Cb 0.00 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 2jhb s VAL 108 CO 0.00 0.08 1.76 0.00 0.00 0.00 0.00 175.10 176.93 2jhb s VAL 110 N 7.96 4.76 -0.16 0.00 -7.23 -1.23 -1.47 120.40 123.02 2jhb s VAL 110 Ca 0.60 -0.50 -0.06 0.00 -1.81 0.00 0.00 61.98 60.21 2jhb s VAL 110 Cb -0.03 -3.74 -0.04 0.00 0.56 0.00 0.00 36.38 33.14 2jhb s VAL 110 CO -0.02 -0.48 0.03 -0.63 -0.31 0.00 0.00 175.10 173.69 2jhb s ILE 111 N -2.37 4.52 0.20 -0.62 1.01 0.19 -0.64 121.20 123.48 2jhb s ILE 111 Ca 0.42 -0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.64 2jhb s ILE 111 Cb -0.10 -3.01 -0.08 0.00 0.01 0.00 0.00 42.46 39.29 2jhb s ILE 111 CO 0.36 0.49 0.95 0.86 0.00 0.00 0.00 174.94 177.60 2jhb s TRP 112 N 0.22 3.92 0.13 3.97 -0.00 -0.08 -0.78 118.94 126.32 2jhb s TRP 112 Ca 0.02 1.87 0.01 0.00 -0.00 0.00 0.00 56.10 58.00 2jhb s TRP 112 Cb -0.13 -3.02 -0.04 0.00 -0.00 0.00 0.00 33.47 30.28 2jhb s TRP 112 CO 0.01 0.33 0.00 -1.59 -0.00 0.00 0.00 176.95 175.71 2jhb s LYS 113 N -0.81 0.94 0.00 5.86 0.00 -0.01 -0.96 119.74 124.76 2jhb s LYS 113 Ca 0.43 -1.43 0.00 0.00 0.00 0.00 0.00 55.97 54.97 2jhb s LYS 113 Cb -0.25 -0.04 0.00 0.00 0.00 0.00 0.00 37.83 37.54 2jhb s LYS 113 CO 0.32 -0.15 0.00 0.41 0.00 0.00 0.00 175.35 175.93 2jhb n GLY 114 N -0.12 -1.21 2.95 0.59 0.00 0.26 -0.62 105.19 107.04 2jhb n GLY 114 Ca -0.08 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.00 -0.06 -0.33 1.61 -2.14 0.48 -1.80 118.94 113.70 2jhb s TRP 115 Ca 0.00 0.14 -0.02 0.00 2.66 0.00 0.00 56.10 58.88 2jhb s TRP 115 Cb 0.00 0.01 0.07 0.00 -3.10 0.00 0.00 33.47 30.45 2jhb s TRP 115 CO 0.00 -0.05 0.07 0.42 -2.66 0.00 0.00 176.95 174.73 2jhb s ILE 116 N -0.06 3.11 0.30 0.66 -1.09 -0.09 -1.43 121.20 122.60 2jhb s ILE 116 Ca -0.01 -1.58 -0.29 0.00 -2.23 0.00 0.00 60.65 56.54 2jhb s ILE 116 Cb -0.01 -2.90 -0.13 0.00 -1.58 0.00 0.00 42.46 37.84 2jhb s ILE 116 CO 0.00 -0.29 1.28 -0.67 -1.23 0.00 0.00 174.94 174.03 2jhb n ASP 117 N 4.62 2.50 -1.23 3.58 -0.08 0.14 -0.18 116.55 125.90 2jhb n ASP 117 Ca -0.09 1.18 0.00 0.00 -1.51 0.00 0.00 54.79 54.37 2jhb n ASP 117 Cb 0.43 -1.43 0.00 0.00 2.34 0.00 0.00 41.12 42.46 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 1.26 3.88 -0.02 -2.67 4.77 0.35 -3.17 117.00 121.40 2jhb n LEU 118 Ca 0.08 -1.83 -0.03 0.00 -0.03 0.00 0.00 56.01 54.20 2jhb n LEU 118 Cb 0.34 -0.75 -0.01 0.00 -2.33 0.00 0.00 43.42 40.67 2jhb n LEU 118 CO 0.62 0.70 -0.24 0.00 -1.33 0.00 0.00 177.39 177.13 2jhb n HIS 119 N 0.96 0.00 -0.72 -1.77 1.44 -1.26 -4.87 115.22 108.99 2jhb n HIS 119 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2jhb n HIS 119 Cb 0.48 -0.18 0.00 0.00 0.12 0.00 0.00 29.99 30.41 2jhb n HIS 119 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 2jhb n ARG 120 N -3.44 0.48 -2.82 -1.40 0.63 -1.25 -4.80 116.66 104.05 2jhb n ARG 120 Ca -0.05 -0.57 -0.10 0.00 -0.92 0.00 0.00 57.85 56.21 2jhb n ARG 120 Cb 0.19 -0.64 0.05 0.00 0.45 0.00 0.00 32.46 32.50 2jhb n ARG 120 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2jhb n LEU 121 N -0.09 -3.00 -4.22 6.15 7.99 -1.19 -4.72 117.00 117.91 2jhb n LEU 121 Ca 0.00 -0.32 -0.14 0.00 -0.01 0.00 0.00 56.01 55.54 2jhb n LEU 121 Cb 0.35 -1.87 -0.09 0.00 -0.11 0.00 0.00 43.42 41.70 2jhb n LEU 121 CO 0.00 0.23 -0.19 -0.62 -1.51 0.00 0.00 177.39 175.30 2jhb s ASP 122 N -3.60 0.64 0.00 -1.43 -1.08 -1.25 -0.17 116.67 109.77 2jhb s ASP 122 Ca 0.06 -1.50 0.00 0.00 -0.52 0.00 0.00 52.55 50.59 2jhb s ASP 122 Cb -0.03 0.44 0.00 0.00 -1.46 0.00 0.00 42.92 41.87 2jhb s ASP 122 CO 0.38 -0.92 0.00 0.61 0.52 0.00 0.00 175.17 175.76 2jhb n GLY 123 N -0.39 0.19 3.09 2.66 0.00 -0.99 -0.68 105.19 109.06 2jhb n GLY 123 Ca 0.04 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.49 1.01 0.21 1.61 -1.94 -0.51 -1.19 119.30 117.00 2jhb s MET 124 Ca 0.00 -0.47 -0.21 0.00 -1.71 0.00 0.00 55.69 53.29 2jhb s MET 124 Cb 0.00 -0.98 0.07 0.00 2.01 0.00 0.00 34.83 35.93 2jhb s MET 124 CO 0.00 0.27 1.02 0.20 -0.01 0.00 0.00 175.02 176.50 2jhb s GLY 125 N -0.36 0.17 0.00 -0.03 0.00 0.16 -0.38 107.32 106.87 2jhb s GLY 125 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.34 2jhb s GLY 125 CO -0.00 2.42 0.00 0.00 0.00 0.00 0.00 173.10 175.52 2jhb s LEU 127 N 0.00 2.64 0.17 0.00 1.43 -1.26 -0.83 118.68 120.82 2jhb s LEU 127 Ca 0.00 -1.11 -0.06 0.00 -1.03 0.00 0.00 54.13 51.93 2jhb s LEU 127 Cb 0.00 -0.99 -0.02 0.00 0.03 0.00 0.00 46.19 45.21 2jhb s LEU 127 CO 0.00 -0.11 0.21 -1.83 0.23 0.00 0.00 176.35 174.86 2jhb s GLU 128 N -3.58 1.14 0.81 1.70 -1.05 0.04 -4.85 118.70 112.91 2jhb s GLU 128 Ca 0.30 -1.34 -0.12 0.00 -0.15 0.00 0.00 54.97 53.67 2jhb s GLU 128 Cb -0.01 0.33 0.08 0.00 -0.44 0.00 0.00 34.13 34.09 2jhb s GLU 128 CO 0.15 -0.40 1.11 0.12 0.95 0.00 0.00 175.26 177.19 2jhb s PHE 129 N -4.03 2.83 -0.41 4.83 5.36 -1.26 -0.64 117.98 124.66 2jhb s PHE 129 Ca 0.23 1.07 0.01 0.00 -0.96 0.00 0.00 56.93 57.29 2jhb s PHE 129 Cb 0.05 -3.18 0.14 0.00 -0.34 0.00 0.00 43.02 39.68 2jhb s PHE 129 CO 0.04 -1.82 0.23 0.34 -1.46 0.00 0.00 175.22 172.55 2jhb s ASP 130 N -4.00 3.40 0.37 6.13 -1.08 -0.54 -4.13 116.67 116.82 2jhb s ASP 130 Ca 0.61 -2.46 0.13 0.00 -0.52 0.00 0.00 52.55 50.31 2jhb s ASP 130 Cb -0.14 -0.80 0.72 0.00 -1.46 0.00 0.00 42.92 41.25 2jhb s ASP 130 CO 0.54 -0.28 1.83 -0.08 0.52 0.00 0.00 175.17 177.69 2jhb h GLU 131 N 6.84 0.00 0.17 4.34 4.81 -1.98 0.11 114.58 128.88 2jhb h GLU 131 Ca 0.02 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2jhb h GLU 131 Cb 0.94 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.33 2jhb h GLU 131 CO 0.40 0.37 -0.08 1.49 -0.73 0.00 0.00 179.01 180.46 2jhb h GLU 132 N 0.00 -0.23 -0.50 1.92 4.57 -1.96 -1.83 114.58 116.55 2jhb h GLU 132 Ca -0.00 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 2jhb h GLU 132 Cb 0.65 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.27 2jhb h GLU 132 CO 0.05 0.19 0.14 -0.09 -1.18 0.00 0.00 179.01 178.12 2jhb h ARG 133 N -0.85 0.75 -0.67 1.92 9.65 -1.92 0.17 114.38 123.43 2jhb h ARG 133 Ca -0.02 -0.14 0.07 0.00 -1.10 0.00 0.00 59.98 58.78 2jhb h ARG 133 Cb 0.52 -0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 28.92 2jhb h ARG 133 CO 0.04 0.67 0.36 0.00 2.80 0.00 0.00 179.97 183.84 2jhb h ALA 134 N 1.42 0.90 -0.68 2.80 0.00 -0.79 0.22 119.26 123.14 2jhb h ALA 134 Ca 0.17 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2jhb h ALA 134 Cb 0.25 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2jhb h ALA 134 CO -0.01 0.02 0.35 1.96 0.00 0.00 0.00 179.25 181.57 2jhb h GLN 135 N 0.66 0.96 -0.06 0.00 4.20 -0.33 -0.38 115.11 120.16 2jhb h GLN 135 Ca 0.31 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2jhb h GLN 135 Cb 0.22 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 2jhb h GLN 135 CO -0.20 0.75 0.04 1.96 -0.67 0.00 0.00 178.83 180.70 2jhb h GLN 136 N 0.94 0.07 -0.07 1.46 7.50 0.47 -1.76 115.11 123.72 2jhb h GLN 136 Ca 0.24 -0.00 -0.21 0.00 0.50 0.00 0.00 58.65 59.17 2jhb h GLN 136 Cb 0.09 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.60 2jhb h GLN 136 CO -0.03 0.05 -0.82 1.49 -1.50 0.00 0.00 178.83 178.02 2jhb h GLU 137 N 0.07 0.50 -0.02 1.46 4.57 -0.53 0.73 114.58 121.37 2jhb h GLU 137 Ca 0.02 -0.45 0.03 0.00 -1.18 0.00 0.00 59.36 57.78 2jhb h GLU 137 Cb -0.00 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 2jhb h GLU 137 CO -0.01 1.08 -0.17 -0.44 -1.18 0.00 0.00 179.01 178.30 2jhb h ASP 138 N 0.32 -0.49 -0.97 1.04 5.19 -1.09 -2.17 116.42 118.25 2jhb h ASP 138 Ca -0.05 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2jhb h ASP 138 Cb 1.43 0.21 -0.05 0.00 0.18 0.00 0.00 39.33 41.10 2jhb h ASP 138 CO 0.15 -0.23 0.62 0.00 -3.12 0.00 0.00 179.24 176.66 2jhb h ALA 139 N 0.68 1.25 0.00 3.45 0.00 -0.81 -1.87 119.26 121.95 2jhb h ALA 139 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jhb h ALA 139 Cb 0.34 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2jhb h ALA 139 CO -0.17 0.67 0.00 -0.07 0.00 0.00 0.00 179.25 179.68 2jhb h LEU 140 N 1.33 0.00 -1.45 0.00 3.38 -0.58 -1.55 115.31 116.45 2jhb h LEU 140 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2jhb h LEU 140 Cb -0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2jhb h LEU 140 CO -0.07 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.46 2jhb n ALA 141 N -2.08 2.00 -3.11 1.53 0.00 -0.70 -4.60 120.51 113.55 2jhb n ALA 141 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 2jhb n ALA 141 Cb 0.11 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 18.63 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 0.42 -3.95 0.00 0.00 3.00 -1.25 -4.62 117.38 110.98 2jhb n GLN 142 Ca 0.00 0.73 0.00 0.00 -0.01 0.00 0.00 57.00 57.72 2jhb n GLN 142 Cb 0.22 -5.28 0.00 0.00 0.00 0.00 0.00 30.24 25.18 2jhb n GLN 142 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00