#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 -0.02 -4.06 1.61 3.41 -1.26 -5.10 113.62 108.20 2jhb n SER 2 Ca 0.00 -2.49 -0.33 0.00 -0.26 0.00 0.00 58.87 55.79 2jhb n SER 2 Cb 0.00 -0.58 -0.13 0.00 -0.26 0.00 0.00 64.21 63.24 2jhb n SER 2 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2jhb s MET 3 N -0.18 1.80 1.25 4.33 1.00 -1.26 -5.10 119.30 121.14 2jhb s MET 3 Ca 0.32 -1.94 -0.18 0.00 0.00 0.00 0.00 55.69 53.89 2jhb s MET 3 Cb 0.03 -3.41 0.31 0.00 0.00 0.00 0.00 34.83 31.76 2jhb s MET 3 CO -0.19 -1.02 1.02 -1.25 0.00 0.00 0.00 175.02 173.57 2jhb s PRO 4 N 0.87 -1.59 0.00 2.03 0.04 -1.26 -3.64 135.00 131.44 2jhb s PRO 4 Ca 0.11 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.49 2jhb s PRO 4 Cb -0.21 -1.52 0.00 0.00 0.04 0.00 0.00 34.50 32.81 2jhb s PRO 4 CO -0.06 -4.04 0.00 0.54 0.04 0.00 0.00 177.00 173.48 2jhb n ARG 5 N -5.07 0.00 -4.11 4.56 5.12 -1.26 -4.81 116.66 111.09 2jhb n ARG 5 Ca 0.08 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.91 2jhb n ARG 5 Cb 0.58 -0.49 -0.10 0.00 -1.16 0.00 0.00 32.46 31.29 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 -1.47 0.42 0.48 1.55 -7.23 -1.24 -4.35 120.40 108.56 2jhb s VAL 6 Ca 0.00 -1.68 0.05 0.00 -1.81 0.00 0.00 61.98 58.54 2jhb s VAL 6 Cb 0.00 -1.34 -0.02 0.00 0.56 0.00 0.00 36.38 35.58 2jhb s VAL 6 CO 0.00 -0.83 0.20 0.68 -0.31 0.00 0.00 175.10 174.84 2jhb s VAL 7 N -3.26 1.82 0.00 1.32 -7.23 -0.50 -4.54 120.40 108.01 2jhb s VAL 7 Ca 0.04 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 2jhb s VAL 7 Cb 0.03 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.43 2jhb s VAL 7 CO -0.06 0.00 0.20 -0.81 -0.31 0.00 0.00 175.10 174.12 2jhb n PRO 8 N -1.39 0.00 -1.76 4.82 -0.04 -1.26 -4.40 135.00 130.97 2jhb n PRO 8 Ca -0.06 0.17 -0.42 0.00 -0.04 0.00 0.00 63.50 63.16 2jhb n PRO 8 Cb 0.65 -0.82 -0.01 0.00 -0.04 0.00 0.00 33.50 33.28 2jhb n PRO 8 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2jhb n ASP 9 N -1.02 3.78 -0.28 3.54 -0.08 -1.26 -4.73 116.55 116.50 2jhb n ASP 9 Ca 0.00 -2.82 -0.02 0.00 -1.51 0.00 0.00 54.79 50.44 2jhb n ASP 9 Cb 0.00 -1.59 0.10 0.00 2.34 0.00 0.00 41.12 41.97 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 6.57 0.92 -0.55 -0.67 4.20 -1.90 -1.54 115.11 122.15 2jhb h GLN 10 Ca 0.52 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 59.09 2jhb h GLN 10 Cb 0.68 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 2jhb h GLN 10 CO 1.83 0.61 0.00 -0.09 -0.67 0.00 0.00 178.83 180.51 2jhb h ARG 11 N 0.95 0.97 -0.58 1.46 9.65 -1.97 0.10 114.38 124.96 2jhb h ARG 11 Ca 0.31 -0.31 -0.07 0.00 -1.10 0.00 0.00 59.98 58.82 2jhb h ARG 11 Cb 0.03 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 2jhb h ARG 11 CO -0.12 0.97 0.10 1.03 2.80 0.00 0.00 179.97 184.75 2jhb h SER 12 N 0.85 0.92 0.91 -3.80 0.87 -1.86 -2.79 113.55 108.66 2jhb h SER 12 Ca 0.16 -0.26 -0.06 0.00 -1.23 0.00 0.00 61.79 60.40 2jhb h SER 12 Cb 0.53 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2jhb h SER 12 CO 0.03 0.95 -0.28 0.11 -0.53 0.00 0.00 176.83 177.11 2jhb h LYS 13 N 0.86 0.00 -0.88 2.24 1.57 -0.98 0.15 116.57 119.53 2jhb h LYS 13 Ca 0.18 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.08 2jhb h LYS 13 Cb 0.42 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.64 2jhb h LYS 13 CO 0.01 0.28 0.50 0.35 -0.57 0.00 0.00 179.45 180.02 2jhb h PHE 14 N 0.00 0.89 -0.00 -1.35 3.57 -0.53 -0.36 116.94 119.16 2jhb h PHE 14 Ca -0.00 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 2jhb h PHE 14 Cb 0.81 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 39.29 2jhb h PHE 14 CO 0.00 0.30 -0.45 0.93 -2.23 0.00 0.00 178.31 176.86 2jhb h GLU 15 N 0.77 0.31 0.00 1.11 4.39 -1.25 -3.42 114.58 116.49 2jhb h GLU 15 Ca 0.45 -0.33 -0.19 0.00 0.34 0.00 0.00 59.36 59.63 2jhb h GLU 15 Cb 0.52 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 2jhb h GLU 15 CO -0.30 1.03 -1.22 -0.91 -1.16 0.00 0.00 179.01 176.45 2jhb h ASN 16 N -0.26 0.00 -2.58 1.42 2.35 -0.06 -3.43 115.58 113.02 2jhb h ASN 16 Ca -0.06 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.14 2jhb h ASN 16 Cb 1.18 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 2jhb h ASN 16 CO 0.09 0.71 1.17 -1.61 -1.65 0.00 0.00 177.43 176.14 2jhb s GLU 17 N -2.83 3.88 0.62 0.81 2.02 -0.21 -4.85 118.70 118.13 2jhb s GLU 17 Ca -0.01 1.99 0.42 0.00 0.02 0.00 0.00 54.97 57.38 2jhb s GLU 17 Cb 0.08 -4.08 2.24 0.00 0.10 0.00 0.00 34.13 32.48 2jhb s GLU 17 CO 0.80 -1.21 2.28 1.49 0.02 0.00 0.00 175.26 178.63 2jhb h GLU 18 N 10.88 0.00 -0.26 1.61 4.22 -1.90 0.13 114.58 129.26 2jhb h GLU 18 Ca -0.38 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.05 2jhb h GLU 18 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2jhb h GLU 18 CO 0.97 0.00 0.14 0.35 -2.18 0.00 0.00 179.01 178.30 2jhb h PHE 19 N 0.00 0.35 -0.12 0.92 3.04 -1.96 -2.37 116.94 116.81 2jhb h PHE 19 Ca 0.00 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.86 2jhb h PHE 19 Cb 0.03 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.41 2jhb h PHE 19 CO 0.00 0.30 -0.30 0.74 -2.02 0.00 0.00 178.31 177.03 2jhb h PHE 20 N 0.31 0.24 -0.76 0.41 0.04 -1.28 -2.70 116.94 113.20 2jhb h PHE 20 Ca 0.09 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 2jhb h PHE 20 Cb 0.06 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 2jhb h PHE 20 CO -0.03 0.50 0.42 0.00 -0.60 0.00 0.00 178.31 178.60 2jhb h ARG 21 N 0.19 1.05 -0.79 1.51 2.47 -1.31 0.25 114.38 117.76 2jhb h ARG 21 Ca 0.03 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 2jhb h ARG 21 Cb 0.63 -0.21 -0.04 0.00 -1.65 0.00 0.00 29.97 28.70 2jhb h ARG 21 CO 0.05 0.76 0.46 0.87 0.56 0.00 0.00 179.97 182.67 2jhb h LYS 22 N 1.06 1.08 0.00 0.04 1.57 -1.10 -2.60 116.57 116.61 2jhb h LYS 22 Ca 0.27 -0.11 -0.18 0.00 -1.87 0.00 0.00 60.65 58.76 2jhb h LYS 22 Cb 0.01 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 2jhb h LYS 22 CO -0.04 0.77 -0.85 -0.07 -0.57 0.00 0.00 179.45 178.68 2jhb h LEU 23 N 1.08 0.05 0.00 2.94 3.38 -1.29 -3.40 115.31 118.07 2jhb h LEU 23 Ca 0.28 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2jhb h LEU 23 Cb -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2jhb h LEU 23 CO -0.05 0.88 0.00 -0.24 0.09 0.00 0.00 178.44 179.12 2jhb n SER 24 N -3.56 -4.28 -3.47 -0.43 2.88 0.83 -4.61 113.62 100.98 2jhb n SER 24 Ca -0.01 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.28 2jhb n SER 24 Cb 0.81 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.46 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 -1.21 -2.15 -1.52 -1.46 1.74 -1.26 -2.38 116.66 108.41 2jhb n ARG 25 Ca 0.00 -1.58 -0.63 0.00 -0.77 0.00 0.00 57.85 54.87 2jhb n ARG 25 Cb 0.00 -1.30 -0.11 0.00 -1.02 0.00 0.00 32.46 30.04 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 -3.96 0.10 -4.34 5.56 0.28 -1.26 -4.73 120.64 112.29 2jhb n GLU 26 Ca 0.13 0.03 -0.20 0.00 -0.16 0.00 0.00 57.16 56.96 2jhb n GLU 26 Cb 0.49 -1.57 -0.08 0.00 1.43 0.00 0.00 31.44 31.71 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 -3.61 3.77 0.08 0.00 2.12 -1.26 -0.56 118.70 119.23 2jhb s GLU 28 Ca 0.36 0.18 -0.01 0.00 0.36 0.00 0.00 54.97 55.85 2jhb s GLU 28 Cb 0.03 -2.89 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 2jhb s GLU 28 CO 0.22 0.48 0.01 0.96 -0.54 0.00 0.00 175.26 176.40 2jhb s ILE 29 N -1.54 0.17 0.01 -3.70 -4.36 0.31 -0.45 121.20 111.64 2jhb s ILE 29 Ca 0.38 -1.82 0.02 0.00 -0.26 0.00 0.00 60.65 58.97 2jhb s ILE 29 Cb -0.13 -1.71 -0.01 0.00 1.25 0.00 0.00 42.46 41.86 2jhb s ILE 29 CO 0.20 -0.78 -0.07 -0.54 0.24 0.00 0.00 174.94 173.99 2jhb s LYS 30 N -3.97 0.54 0.74 0.37 1.02 0.38 -0.93 119.74 117.90 2jhb s LYS 30 Ca 0.13 -0.35 -0.13 0.00 0.02 0.00 0.00 55.97 55.64 2jhb s LYS 30 Cb 0.08 -0.49 0.04 0.00 -0.52 0.00 0.00 37.83 36.94 2jhb s LYS 30 CO -0.06 0.13 1.14 0.71 -0.92 0.00 0.00 175.35 176.35 2jhb s TYR 31 N -0.39 2.29 -0.35 3.18 2.02 0.50 0.08 117.35 124.68 2jhb s TYR 31 Ca 0.00 1.60 0.05 0.00 -0.37 0.00 0.00 57.07 58.35 2jhb s TYR 31 Cb -0.04 -3.26 0.17 0.00 -0.40 0.00 0.00 41.96 38.43 2jhb s TYR 31 CO -0.00 -2.15 0.48 -0.08 -1.57 0.00 0.00 175.55 172.23 2jhb s THR 32 N -2.38 -0.68 0.00 -0.71 -1.32 -1.09 -4.77 115.64 104.69 2jhb s THR 32 Ca 0.68 -0.41 0.00 0.00 -1.21 0.00 0.00 61.69 60.75 2jhb s THR 32 Cb -0.23 -0.59 0.00 0.00 -1.51 0.00 0.00 72.50 70.18 2jhb s THR 32 CO 0.48 -0.27 0.00 0.61 -2.21 0.00 0.00 174.62 173.22 2jhb n GLY 33 N 4.70 0.90 0.34 6.08 0.00 -1.26 -4.58 105.19 111.37 2jhb n GLY 33 Ca 0.08 0.19 0.19 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.98 0.13 116.94 111.55 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 -2.13 -2.00 0.00 0.00 178.31 174.18 2jhb n ARG 35 N -2.98 0.05 -0.06 6.09 0.00 -1.26 -4.57 116.66 113.93 2jhb n ARG 35 Ca -0.02 0.35 -0.02 0.00 -0.00 0.00 0.00 57.85 58.16 2jhb n ARG 35 Cb 0.23 -1.60 -0.01 0.00 0.00 0.00 0.00 32.46 31.07 2jhb n ARG 35 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2jhb n ASP 36 N -1.70 -0.15 -4.24 6.15 8.00 0.46 -4.56 116.55 120.52 2jhb n ASP 36 Ca 0.02 0.27 -0.29 0.00 0.71 0.00 0.00 54.79 55.51 2jhb n ASP 36 Cb 0.15 -0.05 0.26 0.00 -0.02 0.00 0.00 41.12 41.46 2jhb n ASP 36 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2jhb n ARG 37 N -3.85 -2.88 -0.96 -1.24 3.00 -1.26 -4.99 116.66 104.48 2jhb n ARG 37 Ca 0.00 -0.82 -0.34 0.00 -0.01 0.00 0.00 57.85 56.68 2jhb n ARG 37 Cb 0.04 -2.04 0.11 0.00 0.00 0.00 0.00 32.46 30.56 2jhb n ARG 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2jhb n PRO 38 N -4.71 -0.08 -2.53 5.56 -0.04 -1.26 -4.96 135.00 126.99 2jhb n PRO 38 Ca 0.04 0.03 -0.35 0.00 -0.04 0.00 0.00 63.50 63.17 2jhb n PRO 38 Cb 0.56 -1.90 -0.03 0.00 -0.04 0.00 0.00 33.50 32.08 2jhb n PRO 38 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2jhb s HIS 39 N -2.23 3.07 0.00 0.54 2.46 -1.26 -4.89 115.29 112.97 2jhb s HIS 39 Ca 0.61 1.60 0.00 0.00 0.47 0.00 0.00 55.06 57.73 2jhb s HIS 39 Cb -0.26 -3.11 0.00 0.00 -0.13 0.00 0.00 32.58 29.09 2jhb s HIS 39 CO 0.63 -0.81 0.00 -1.91 -2.47 0.00 0.00 174.74 170.18 2jhb n GLU 40 N -0.66 0.00 -2.89 2.88 2.13 -1.26 -5.03 120.64 115.80 2jhb n GLU 40 Ca 0.08 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.78 2jhb n GLU 40 Cb 0.51 0.00 0.05 0.00 0.27 0.00 0.00 31.44 32.27 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 -0.35 1.01 -0.00 5.31 4.07 -1.26 -4.97 120.64 124.45 2jhb n GLU 41 Ca 0.00 -2.47 0.06 0.00 -0.06 0.00 0.00 57.16 54.70 2jhb n GLU 41 Cb 0.00 -1.24 -0.08 0.00 -0.06 0.00 0.00 31.44 30.06 2jhb n GLU 41 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2jhb n ARG 42 N 0.29 1.89 0.16 5.31 3.00 -1.26 -4.49 116.66 121.56 2jhb n ARG 42 Ca 0.12 -0.04 -0.14 0.00 -0.00 0.00 0.00 57.85 57.79 2jhb n ARG 42 Cb 0.69 -1.18 -0.08 0.00 0.00 0.00 0.00 32.46 31.89 2jhb n ARG 42 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 2jhb h GLN 43 N 0.00 -0.39 -0.57 -0.14 4.20 -1.93 0.32 115.11 116.59 2jhb h GLN 43 Ca 0.00 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 2jhb h GLN 43 Cb 0.41 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 2jhb h GLN 43 CO 0.00 -0.11 0.21 1.15 -0.67 0.00 0.00 178.83 179.41 2jhb h THR 44 N -0.66 1.23 -0.95 -0.54 2.02 -1.99 -1.17 112.91 110.85 2jhb h THR 44 Ca -0.04 -0.74 0.09 0.00 0.77 0.00 0.00 66.41 66.49 2jhb h THR 44 Cb 0.46 0.64 -0.07 0.00 -1.74 0.00 0.00 68.15 67.44 2jhb h THR 44 CO 0.07 0.28 0.60 -0.09 0.37 0.00 0.00 175.52 176.75 2jhb h ARG 45 N 0.79 1.00 -0.12 6.66 9.65 -1.78 -1.77 114.38 128.81 2jhb h ARG 45 Ca 0.19 -0.06 0.02 0.00 -1.10 0.00 0.00 59.98 59.03 2jhb h ARG 45 Cb 0.23 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 2jhb h ARG 45 CO -0.01 0.66 -0.00 0.35 2.80 0.00 0.00 179.97 183.77 2jhb h PHE 46 N 1.03 -0.01 -0.83 2.20 3.57 0.85 0.58 116.94 124.33 2jhb h PHE 46 Ca 0.44 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.98 2jhb h PHE 46 Cb 0.30 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.02 2jhb h PHE 46 CO -0.02 -0.02 0.54 1.96 -2.23 0.00 0.00 178.31 178.55 2jhb h GLN 47 N 0.04 1.01 0.00 1.11 7.50 -0.97 0.11 115.11 123.91 2jhb h GLN 47 Ca 0.06 -0.06 -0.06 0.00 0.50 0.00 0.00 58.65 59.09 2jhb h GLN 47 Cb 0.07 -0.23 -0.01 0.00 0.05 0.00 0.00 27.48 27.36 2jhb h GLN 47 CO -0.10 0.67 -0.26 -0.91 -1.50 0.00 0.00 178.83 176.73 2jhb h ASN 48 N 1.04 0.00 0.73 1.46 2.35 -0.21 -2.44 115.58 118.51 2jhb h ASN 48 Ca 0.32 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.82 2jhb h ASN 48 Cb 0.01 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 2jhb h ASN 48 CO -0.09 0.26 -1.32 0.00 -1.65 0.00 0.00 177.43 174.63 2jhb h ALA 49 N 1.74 0.45 0.00 -0.83 0.00 0.58 0.51 119.26 121.71 2jhb h ALA 49 Ca -0.00 -1.11 -0.03 0.00 0.00 0.00 0.00 54.91 53.77 2jhb h ALA 49 Cb 1.12 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2jhb h ALA 49 CO 0.03 1.32 -0.12 0.00 0.00 0.00 0.00 179.25 180.48 2jhb n ARG 51 N -3.54 0.51 -0.05 0.00 0.63 -0.92 -3.83 116.66 109.46 2jhb n ARG 51 Ca -0.01 -0.14 0.20 0.00 -0.92 0.00 0.00 57.85 56.97 2jhb n ARG 51 Cb 0.26 -1.50 0.65 0.00 0.45 0.00 0.00 32.46 32.33 2jhb n ARG 51 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2jhb h ASP 52 N 0.00 0.09 0.00 6.15 3.32 -0.88 -2.74 116.42 122.35 2jhb h ASP 52 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jhb h ASP 52 Cb 0.84 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.37 2jhb h ASP 52 CO 0.00 0.05 0.00 0.61 -1.72 0.00 0.00 179.24 178.18 2jhb n GLY 53 N -1.62 -0.25 2.63 2.75 0.00 -1.25 -0.51 105.19 106.95 2jhb n GLY 53 Ca 0.11 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.13 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 0.08 0.00 1.61 -4.01 -1.26 -3.30 116.66 109.78 2jhb n ARG 54 Ca 0.00 -1.82 0.00 0.00 -1.04 0.00 0.00 57.85 54.99 2jhb n ARG 54 Cb 0.00 -0.47 0.00 0.00 -3.04 0.00 0.00 32.46 28.95 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 -2.97 0.00 -3.69 2.89 2.88 -0.28 -4.69 113.62 107.76 2jhb n SER 55 Ca 0.11 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.55 2jhb n SER 55 Cb 0.40 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.75 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 1.37 0.35 0.27 -1.46 2.12 -1.26 -0.83 118.70 119.26 2jhb s GLU 56 Ca 0.00 0.82 0.05 0.00 0.36 0.00 0.00 54.97 56.20 2jhb s GLU 56 Cb 0.00 0.05 -0.06 0.00 0.26 0.00 0.00 34.13 34.38 2jhb s GLU 56 CO 0.00 -0.19 -0.02 0.42 -0.54 0.00 0.00 175.26 174.93 2jhb s ILE 57 N 1.71 1.36 0.17 -3.70 1.01 -0.53 -2.67 121.20 118.55 2jhb s ILE 57 Ca -0.07 -2.07 -0.01 0.00 0.00 0.00 0.00 60.65 58.50 2jhb s ILE 57 Cb -0.10 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 2jhb s ILE 57 CO -0.12 -0.27 0.09 0.00 0.00 0.00 0.00 174.94 174.64 2jhb s ALA 58 N -3.20 1.03 -0.15 9.38 0.00 0.11 -0.58 121.76 128.36 2jhb s ALA 58 Ca 0.30 -1.59 -0.05 0.00 0.00 0.00 0.00 51.96 50.62 2jhb s ALA 58 Cb 0.05 1.12 -0.03 0.00 0.00 0.00 0.00 23.12 24.25 2jhb s ALA 58 CO 0.11 -0.53 0.01 -0.06 0.00 0.00 0.00 175.76 175.29 2jhb s PHE 59 N -4.09 3.16 0.07 0.00 0.40 -0.34 -0.47 117.98 116.71 2jhb s PHE 59 Ca 0.31 -0.04 -0.20 0.00 -0.60 0.00 0.00 56.93 56.41 2jhb s PHE 59 Cb 0.07 -1.98 -0.11 0.00 0.51 0.00 0.00 43.02 41.52 2jhb s PHE 59 CO 0.07 0.15 1.47 0.28 0.70 0.00 0.00 175.22 177.89 2jhb h VAL 60 N 4.83 1.28 0.00 -0.44 2.07 -1.04 -0.18 116.25 122.77 2jhb h VAL 60 Ca -0.37 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.19 2jhb h VAL 60 Cb 1.18 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 32.43 2jhb h VAL 60 CO 0.65 0.30 -0.27 0.00 0.02 0.00 0.00 177.57 178.27 2jhb h ALA 61 N 0.75 -0.37 0.00 1.67 0.00 -1.92 -3.06 119.26 116.33 2jhb h ALA 61 Ca 0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2jhb h ALA 61 Cb 0.47 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2jhb h ALA 61 CO 0.02 -0.77 -1.91 2.41 0.00 0.00 0.00 179.25 179.00 2jhb n THR 62 N -5.38 0.21 -1.98 0.00 -1.04 -1.26 -5.06 114.28 99.77 2jhb n THR 62 Ca -0.05 -0.48 -0.02 0.00 -2.04 0.00 0.00 64.05 61.46 2jhb n THR 62 Cb 0.29 -0.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 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 1.54 -1.88 2.72 3.41 0.00 -0.09 -5.07 105.19 105.82 2jhb n GLY 63 Ca -0.08 0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.22 0.30 0.24 2.61 2.01 -1.19 -4.91 115.64 113.48 2jhb s THR 64 Ca 0.06 -0.13 -0.31 0.00 0.31 0.00 0.00 61.69 61.61 2jhb s THR 64 Cb -0.02 -0.68 -0.12 0.00 0.01 0.00 0.00 72.50 71.70 2jhb s THR 64 CO 0.29 -0.01 1.68 -3.20 -0.69 0.00 0.00 174.62 172.69 2jhb n ASN 65 N 5.15 3.93 -3.77 3.53 5.15 -1.26 -1.20 115.26 126.79 2jhb n ASN 65 Ca -0.07 1.09 -0.15 0.00 -0.60 0.00 0.00 54.58 54.85 2jhb n ASN 65 Cb 0.49 -1.58 -0.16 0.00 -0.53 0.00 0.00 39.78 38.00 2jhb n ASN 65 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 2jhb s LEU 66 N 0.58 1.06 -0.58 1.20 -0.00 0.25 -4.96 118.68 116.23 2jhb s LEU 66 Ca 0.71 0.06 -0.22 0.00 -0.00 0.00 0.00 54.13 54.69 2jhb s LEU 66 Cb -0.51 -0.03 0.06 0.00 -0.00 0.00 0.00 46.19 45.72 2jhb s LEU 66 CO 0.38 -0.13 0.86 -0.44 -0.00 0.00 0.00 176.35 177.02 2jhb s SER 67 N 1.07 6.24 0.60 1.48 0.01 -1.26 -1.46 113.70 120.38 2jhb s SER 67 Ca -0.09 -0.79 -0.15 0.00 1.31 0.00 0.00 55.95 56.23 2jhb s SER 67 Cb -0.13 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 2jhb s SER 67 CO -0.03 -1.21 1.06 -0.76 0.41 0.00 0.00 173.24 172.70 2jhb s LEU 68 N 3.58 3.47 -0.31 2.44 1.43 -0.01 -4.88 118.68 124.40 2jhb s LEU 68 Ca 0.22 1.82 -0.00 0.00 -1.03 0.00 0.00 54.13 55.14 2jhb s LEU 68 Cb -0.17 -4.53 0.14 0.00 0.03 0.00 0.00 46.19 41.66 2jhb s LEU 68 CO 0.13 -1.21 0.29 0.00 0.23 0.00 0.00 176.35 175.79 2jhb s GLN 69 N -4.13 0.38 -1.25 1.70 -2.07 -1.26 -1.12 119.66 111.90 2jhb s GLN 69 Ca 0.63 -0.36 -0.15 0.00 -1.82 0.00 0.00 55.36 53.66 2jhb s GLN 69 Cb -0.16 -0.73 0.13 0.00 -1.09 0.00 0.00 33.01 31.15 2jhb s GLN 69 CO 0.38 -1.07 1.58 1.19 -1.32 0.00 0.00 175.29 176.06 2jhb n PHE 70 N 5.05 4.80 -3.53 9.60 3.01 -1.21 -4.33 117.46 130.86 2jhb n PHE 70 Ca 0.01 -3.13 -0.29 0.00 1.01 0.00 0.00 57.45 55.05 2jhb n PHE 70 Cb 0.45 -2.38 -0.08 0.00 -0.01 0.00 0.00 39.48 37.46 2jhb n PHE 70 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2jhb n PHE 71 N 6.79 3.51 -0.93 1.38 3.01 -1.26 -4.78 117.46 125.19 2jhb n PHE 71 Ca 0.42 -4.08 -0.29 0.00 1.01 0.00 0.00 57.45 54.51 2jhb n PHE 71 Cb 0.44 -0.67 0.22 0.00 -0.01 0.00 0.00 39.48 39.46 2jhb n PHE 71 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2jhb s PRO 72 N -2.18 -0.45 0.00 -1.08 0.04 -1.26 -4.81 135.00 125.25 2jhb s PRO 72 Ca 0.35 0.49 -0.01 0.00 0.04 0.00 0.00 61.00 61.87 2jhb s PRO 72 Cb 0.08 -1.64 -0.04 0.00 0.04 0.00 0.00 34.50 32.95 2jhb s PRO 72 CO -0.05 -3.32 1.49 0.00 0.04 0.00 0.00 177.00 175.17 2jhb n ALA 73 N -4.58 3.32 0.00 8.56 0.00 -1.26 -1.10 120.51 125.45 2jhb n ALA 73 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2jhb n ALA 73 Cb 0.57 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 1.91 0.24 -0.15 0.00 2.88 -1.26 -5.16 113.62 112.07 2jhb n SER 74 Ca 0.06 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2jhb n SER 74 Cb 0.36 0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 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 -0.11 -0.80 0.00 0.66 7.02 -0.25 -4.91 117.44 119.04 2jhb n TRP 75 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2jhb n TRP 75 Cb 0.00 0.11 0.00 0.00 -2.42 0.00 0.00 31.31 29.00 2jhb n TRP 75 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2jhb n GLN 76 N -0.31 0.00 0.00 -0.99 0.00 -1.26 -4.84 117.38 109.98 2jhb n GLN 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 2jhb n GLN 76 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 30.24 30.06 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 0.32 1.83 0.00 2.61 0.00 -1.26 -4.39 105.19 104.29 2jhb n GLY 77 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2jhb n GLY 77 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jhb n GLU 78 N 0.00 0.00 -3.65 1.61 2.13 -1.26 -5.06 120.64 114.41 2jhb n GLU 78 Ca 0.00 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.57 2jhb n GLU 78 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 2jhb n GLU 78 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2jhb n GLN 79 N -0.12 -1.63 -1.62 5.31 0.00 0.33 -4.93 117.38 114.72 2jhb n GLN 79 Ca 0.00 1.00 -0.35 0.00 -0.00 0.00 0.00 57.00 57.65 2jhb n GLN 79 Cb 0.00 -2.61 0.08 0.00 0.00 0.00 0.00 30.24 27.70 2jhb n GLN 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 2jhb s ARG 80 N -4.19 2.39 -0.04 3.69 3.52 -1.03 -4.95 118.95 118.34 2jhb s ARG 80 Ca 0.09 1.88 -0.26 0.00 -0.13 0.00 0.00 55.73 57.31 2jhb s ARG 80 Cb -0.01 -1.85 -0.21 0.00 -1.56 0.00 0.00 34.95 31.32 2jhb s ARG 80 CO 0.88 -1.67 1.17 -0.56 -0.81 0.00 0.00 175.30 174.31 2jhb h GLN 81 N 0.16 -0.03 -1.87 5.12 -0.00 -1.91 -3.45 115.11 113.14 2jhb h GLN 81 Ca -0.49 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 57.88 2jhb h GLN 81 Cb 1.31 0.01 -0.30 0.00 -0.00 0.00 0.00 27.48 28.50 2jhb h GLN 81 CO 0.52 0.51 -0.61 0.99 -0.00 0.00 0.00 178.83 180.24 2jhb s THR 82 N -3.95 -0.49 1.34 1.86 2.01 -1.26 -5.11 115.64 110.04 2jhb s THR 82 Ca -0.16 -0.56 -0.22 0.00 0.31 0.00 0.00 61.69 61.05 2jhb s THR 82 Cb 0.01 -0.83 0.34 0.00 0.01 0.00 0.00 72.50 72.03 2jhb s THR 82 CO 0.66 -0.42 0.92 -2.65 -0.69 0.00 0.00 174.62 172.44 2jhb n PRO 83 N 4.92 -4.17 -1.33 4.92 -0.02 -1.26 -5.07 135.00 132.99 2jhb n PRO 83 Ca 0.04 -1.52 -0.30 0.00 -2.02 0.00 0.00 63.50 59.70 2jhb n PRO 83 Cb 0.48 -1.74 0.11 0.00 -0.02 0.00 0.00 33.50 32.32 2jhb n PRO 83 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2jhb s SER 84 N -3.56 4.11 0.05 2.55 0.01 -1.26 -4.78 113.70 110.82 2jhb s SER 84 Ca 0.66 1.53 -0.30 0.00 1.31 0.00 0.00 55.95 59.15 2jhb s SER 84 Cb -0.10 -2.24 -0.18 0.00 0.21 0.00 0.00 66.02 63.72 2jhb s SER 84 CO 0.54 -2.24 1.49 -0.09 0.41 0.00 0.00 173.24 173.35 2jhb h ARG 85 N -1.27 -0.70 0.00 12.44 2.43 -1.78 0.15 114.38 125.65 2jhb h ARG 85 Ca -0.47 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.73 2jhb h ARG 85 Cb 1.26 0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.97 2jhb h ARG 85 CO 0.55 -0.42 -0.08 1.49 -1.51 0.00 0.00 179.97 180.00 2jhb h GLU 86 N -0.83 0.00 0.00 0.20 4.81 -1.87 -3.24 114.58 113.64 2jhb h GLU 86 Ca -0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2jhb h GLU 86 Cb 0.60 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.98 2jhb h GLU 86 CO 0.12 0.08 -0.00 1.88 -0.73 0.00 0.00 179.01 180.36 2jhb h TYR 87 N 0.00 0.00 -2.71 0.92 -1.99 -1.66 -2.37 116.97 109.16 2jhb h TYR 87 Ca -0.00 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.60 2jhb h TYR 87 Cb 0.40 0.00 -0.28 0.00 2.00 0.00 0.00 36.73 38.85 2jhb h TYR 87 CO 0.00 0.00 -0.35 0.08 -0.00 0.00 0.00 178.16 177.89 2jhb s VAL 88 N -1.03 -0.13 0.22 -2.88 1.01 0.47 -2.21 120.40 115.86 2jhb s VAL 88 Ca -0.00 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2jhb s VAL 88 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.82 2jhb s VAL 88 CO 0.00 0.05 0.00 -0.67 0.00 0.00 0.00 175.10 174.48 2jhb n ASP 89 N 4.46 -3.44 0.00 3.32 2.03 -1.23 -4.22 116.55 117.47 2jhb n ASP 89 Ca -0.21 0.65 0.00 0.00 0.52 0.00 0.00 54.79 55.75 2jhb n ASP 89 Cb 0.54 -1.31 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 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 -1.66 0.00 -0.11 -2.67 -0.00 -1.26 -4.07 117.00 107.23 2jhb n LEU 90 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2jhb n LEU 90 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.55 2jhb n LEU 90 CO 0.00 0.00 0.06 1.21 -0.00 0.00 0.00 177.39 178.66 2jhb n GLU 91 N 0.00 0.00 -1.12 1.47 2.13 -1.26 -5.09 120.64 116.76 2jhb n GLU 91 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2jhb n GLU 91 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 0.00 -2.86 -0.16 5.31 3.00 -1.26 -5.07 116.66 115.62 2jhb n ARG 92 Ca 0.00 2.14 -0.00 0.00 -0.01 0.00 0.00 57.85 59.97 2jhb n ARG 92 Cb 0.28 -2.23 0.00 0.00 0.00 0.00 0.00 32.46 30.50 2jhb n ARG 92 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2jhb n GLU 93 N 0.41 0.12 -1.71 5.56 4.07 -0.10 -4.93 120.64 124.07 2jhb n GLU 93 Ca 0.00 -0.03 -0.21 0.00 -0.06 0.00 0.00 57.16 56.86 2jhb n GLU 93 Cb 0.00 -0.02 -0.06 0.00 -0.06 0.00 0.00 31.44 31.31 2jhb n GLU 93 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jhb s ALA 94 N -3.73 1.15 0.00 4.31 0.00 -1.26 -3.53 121.76 118.69 2jhb s ALA 94 Ca 0.01 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2jhb s ALA 94 Cb -0.00 -4.52 0.00 0.00 0.00 0.00 0.00 23.12 18.60 2jhb s ALA 94 CO 0.01 -5.32 0.00 0.41 0.00 0.00 0.00 175.76 170.85 2jhb n GLY 95 N 6.63 0.00 3.41 0.00 0.00 -1.26 -4.87 105.19 109.10 2jhb n GLY 95 Ca 0.42 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.79 1.78 0.05 1.61 0.00 -1.23 -2.58 119.74 118.59 2jhb s LYS 96 Ca 0.00 -2.05 0.07 0.00 0.00 0.00 0.00 55.97 53.99 2jhb s LYS 96 Cb 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 37.83 37.52 2jhb s LYS 96 CO 0.00 -0.49 -0.20 0.54 0.00 0.00 0.00 175.35 175.20 2jhb s VAL 97 N -3.39 1.62 0.32 1.79 0.11 0.31 -0.92 120.40 120.24 2jhb s VAL 97 Ca 0.31 -1.24 -0.18 0.00 -2.93 0.00 0.00 61.98 57.94 2jhb s VAL 97 Cb 0.04 -1.42 -0.09 0.00 -1.53 0.00 0.00 36.38 33.37 2jhb s VAL 97 CO 0.18 0.14 0.79 -0.31 -3.33 0.00 0.00 175.10 172.57 2jhb s TYR 98 N -0.87 3.45 -0.15 1.54 1.51 -1.26 -0.84 117.35 120.74 2jhb s TYR 98 Ca 0.07 1.38 -0.07 0.00 -1.01 0.00 0.00 57.07 57.43 2jhb s TYR 98 Cb -0.09 -2.64 0.06 0.00 -0.11 0.00 0.00 41.96 39.18 2jhb s TYR 98 CO 0.02 0.13 0.35 -1.17 -1.11 0.00 0.00 175.55 173.76 2jhb s LEU 99 N -2.70 -0.02 -0.26 -1.29 1.98 -0.52 -4.63 118.68 111.24 2jhb s LEU 99 Ca 0.53 0.76 -0.20 0.00 -2.89 0.00 0.00 54.13 52.33 2jhb s LEU 99 Cb -0.12 1.09 0.07 0.00 0.66 0.00 0.00 46.19 47.89 2jhb s LEU 99 CO 0.18 -0.19 0.66 -0.75 -1.89 0.00 0.00 176.35 174.35 2jhb s LYS 100 N 1.60 0.73 -0.19 1.98 2.20 -0.92 -0.65 119.74 124.48 2jhb s LYS 100 Ca -0.08 1.03 -0.05 0.00 -0.36 0.00 0.00 55.97 56.52 2jhb s LYS 100 Cb -0.10 0.26 0.09 0.00 -1.51 0.00 0.00 37.83 36.58 2jhb s LYS 100 CO -0.11 -0.12 0.33 0.00 -0.36 0.00 0.00 175.35 175.09 2jhb s ALA 101 N 0.92 -0.82 0.13 3.13 0.00 -0.04 -4.43 121.76 120.65 2jhb s ALA 101 Ca -0.04 0.98 -0.31 0.00 0.00 0.00 0.00 51.96 52.59 2jhb s ALA 101 Cb -0.05 -1.32 -0.10 0.00 0.00 0.00 0.00 23.12 21.65 2jhb s ALA 101 CO -0.08 -0.92 1.64 -1.25 0.00 0.00 0.00 175.76 175.15 2jhb s PRO 102 N 2.49 4.19 0.11 0.00 0.04 -1.26 -0.84 135.00 139.73 2jhb s PRO 102 Ca 0.04 2.40 0.05 0.00 0.04 0.00 0.00 61.00 63.54 2jhb s PRO 102 Cb -0.13 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 2jhb s PRO 102 CO -0.12 -0.69 0.01 -1.64 0.04 0.00 0.00 177.00 174.60 2jhb s MET 103 N 1.81 2.54 -0.30 4.56 1.00 -0.16 -4.38 119.30 124.37 2jhb s MET 103 Ca 0.73 -0.88 -0.01 0.00 0.00 0.00 0.00 55.69 55.52 2jhb s MET 103 Cb -0.43 -2.52 0.10 0.00 0.00 0.00 0.00 34.83 31.98 2jhb s MET 103 CO 0.32 0.52 0.10 0.42 0.00 0.00 0.00 175.02 176.38 2jhb s ILE 104 N -1.40 0.70 0.00 2.53 1.01 -1.26 -1.76 121.20 121.02 2jhb s ILE 104 Ca 0.26 -1.23 0.00 0.00 0.00 0.00 0.00 60.65 59.69 2jhb s ILE 104 Cb -0.11 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.85 2jhb s ILE 104 CO 0.19 -0.64 0.00 0.18 0.00 0.00 0.00 174.94 174.67 2jhb n LEU 105 N 4.93 0.00 0.00 2.97 7.99 -1.24 -4.78 117.00 126.87 2jhb n LEU 105 Ca -0.03 0.00 0.02 0.00 -0.01 0.00 0.00 56.01 55.99 2jhb n LEU 105 Cb 0.42 0.00 0.09 0.00 -0.11 0.00 0.00 43.42 43.83 2jhb n LEU 105 CO 0.10 0.00 0.57 0.59 -1.51 0.00 0.00 177.39 177.14 2jhb n ASN 106 N 0.00 0.00 0.00 -1.43 3.02 -1.26 -4.73 115.26 110.86 2jhb n ASN 106 Ca 0.00 0.50 0.00 0.00 -0.03 0.00 0.00 54.58 55.05 2jhb n ASN 106 Cb 0.00 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 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 -1.05 1.08 3.64 7.41 0.00 -1.26 -4.32 105.19 110.69 2jhb n GLY 107 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.47 4.77 -0.98 1.61 1.01 -1.26 -1.42 120.40 122.66 2jhb s VAL 108 Ca 0.00 1.62 -0.24 0.00 0.00 0.00 0.00 61.98 63.37 2jhb s VAL 108 Cb 0.00 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 2jhb s VAL 108 CO 0.00 -0.16 1.73 0.00 0.00 0.00 0.00 175.10 176.67 2jhb s VAL 110 N 7.75 2.32 -0.20 0.00 -7.23 -0.72 -1.34 120.40 120.98 2jhb s VAL 110 Ca 0.59 -0.33 -0.02 0.00 -1.81 0.00 0.00 61.98 60.41 2jhb s VAL 110 Cb -0.03 -2.98 -0.00 0.00 0.56 0.00 0.00 36.38 33.92 2jhb s VAL 110 CO -0.04 0.00 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.02 2jhb s ILE 111 N -3.19 2.95 0.03 -0.62 1.01 -0.09 -0.99 121.20 120.31 2jhb s ILE 111 Ca 0.60 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 60.31 2jhb s ILE 111 Cb -0.10 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 2jhb s ILE 111 CO 0.44 0.47 1.05 0.86 0.00 0.00 0.00 174.94 177.76 2jhb s TRP 112 N 1.27 3.60 0.22 3.97 -0.00 -0.02 -0.06 118.94 127.91 2jhb s TRP 112 Ca 0.03 1.58 0.03 0.00 -0.00 0.00 0.00 56.10 57.73 2jhb s TRP 112 Cb -0.14 -3.22 -0.05 0.00 -0.00 0.00 0.00 33.47 30.06 2jhb s TRP 112 CO -0.05 -0.42 0.02 -1.59 -0.00 0.00 0.00 176.95 174.90 2jhb s LYS 113 N 0.89 1.27 0.00 5.86 -2.85 -0.29 -0.86 119.74 123.76 2jhb s LYS 113 Ca 0.54 -1.64 0.00 0.00 -1.00 0.00 0.00 55.97 53.86 2jhb s LYS 113 Cb -0.24 -0.44 0.00 0.00 -2.06 0.00 0.00 37.83 35.09 2jhb s LYS 113 CO 0.29 -0.14 0.00 0.41 0.10 0.00 0.00 175.35 176.01 2jhb n GLY 114 N -0.37 -1.22 2.92 0.59 0.00 0.17 -0.93 105.19 106.36 2jhb n GLY 114 Ca -0.05 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.79 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 0.94 -0.35 1.61 -2.14 0.43 -1.44 118.94 114.99 2jhb s TRP 115 Ca 0.00 -0.30 -0.17 0.00 2.66 0.00 0.00 56.10 58.29 2jhb s TRP 115 Cb 0.00 -0.78 -0.01 0.00 -3.10 0.00 0.00 33.47 29.58 2jhb s TRP 115 CO 0.00 -0.22 0.45 0.42 -2.66 0.00 0.00 176.95 174.94 2jhb s ILE 116 N 0.90 5.08 0.42 0.66 -1.09 -0.02 -1.07 121.20 126.08 2jhb s ILE 116 Ca -0.11 0.19 -0.24 0.00 -2.23 0.00 0.00 60.65 58.25 2jhb s ILE 116 Cb -0.15 -3.91 -0.08 0.00 -1.58 0.00 0.00 42.46 36.74 2jhb s ILE 116 CO 0.01 -0.18 1.15 -0.62 -1.23 0.00 0.00 174.94 174.07 2jhb s ASP 117 N 1.75 6.43 0.01 3.58 -1.08 0.69 -0.53 116.67 127.53 2jhb s ASP 117 Ca 0.16 2.29 0.22 0.00 -0.52 0.00 0.00 52.55 54.69 2jhb s ASP 117 Cb -0.16 -2.61 0.92 0.00 -1.46 0.00 0.00 42.92 39.61 2jhb s ASP 117 CO 0.13 -0.74 1.69 0.18 0.52 0.00 0.00 175.17 176.95 2jhb n LEU 118 N -0.15 0.04 -0.28 -1.34 4.77 -1.06 -1.91 117.00 117.07 2jhb n LEU 118 Ca 0.05 0.51 -0.06 0.00 -0.03 0.00 0.00 56.01 56.49 2jhb n LEU 118 Cb 0.47 -0.50 0.08 0.00 -2.33 0.00 0.00 43.42 41.14 2jhb n LEU 118 CO 0.49 -0.14 1.04 1.12 -1.33 0.00 0.00 177.39 178.56 2jhb h HIS 119 N 0.00 1.19 0.00 -1.77 2.07 -1.86 -3.35 115.15 111.43 2jhb h HIS 119 Ca 0.00 -0.09 0.00 0.00 -2.85 0.00 0.00 60.37 57.43 2jhb h HIS 119 Cb 0.38 -0.35 0.00 0.00 2.57 0.00 0.00 27.41 30.01 2jhb h HIS 119 CO 0.00 0.91 0.00 0.54 -3.07 0.00 0.00 177.93 176.31 2jhb n ARG 120 N -4.27 0.35 -1.96 5.12 5.12 -1.26 -5.00 116.66 114.76 2jhb n ARG 120 Ca 0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 2jhb n ARG 120 Cb 0.20 -0.03 0.00 0.00 -1.16 0.00 0.00 32.46 31.47 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 0.00 -1.67 -4.73 0.55 7.99 -0.80 -4.90 117.00 113.44 2jhb n LEU 121 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 56.01 55.73 2jhb n LEU 121 Cb 0.00 -0.42 -0.07 0.00 -0.11 0.00 0.00 43.42 42.82 2jhb n LEU 121 CO 0.00 0.00 -0.18 -1.81 -1.51 0.00 0.00 177.39 173.89 2jhb s ASP 122 N -2.78 4.29 0.00 -1.43 1.01 -1.21 -0.37 116.67 116.17 2jhb s ASP 122 Ca 0.00 -1.24 0.00 0.00 0.71 0.00 0.00 52.55 52.02 2jhb s ASP 122 Cb 0.00 -0.24 0.00 0.00 1.01 0.00 0.00 42.92 43.69 2jhb s ASP 122 CO 0.00 -0.62 0.00 0.61 0.21 0.00 0.00 175.17 175.37 2jhb n GLY 123 N -1.24 -0.57 3.36 0.21 0.00 -0.11 -0.22 105.19 106.62 2jhb n GLY 123 Ca -0.04 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.56 1.33 -0.07 1.61 -1.94 -0.23 -0.53 119.30 117.91 2jhb s MET 124 Ca 0.00 -1.35 -0.30 0.00 -1.71 0.00 0.00 55.69 52.33 2jhb s MET 124 Cb 0.00 -1.65 0.10 0.00 2.01 0.00 0.00 34.83 35.29 2jhb s MET 124 CO 0.00 0.37 1.35 0.20 -0.01 0.00 0.00 175.02 176.93 2jhb s GLY 125 N -2.27 -0.21 0.00 -0.03 0.00 0.28 -0.42 107.32 104.66 2jhb s GLY 125 Ca 0.14 0.18 0.00 0.00 0.00 0.00 0.00 44.72 45.04 2jhb s GLY 125 CO 0.07 5.91 0.00 0.00 0.00 0.00 0.00 173.10 179.08 2jhb s LEU 127 N 0.00 3.63 0.15 0.00 1.43 -1.00 -1.14 118.68 121.75 2jhb s LEU 127 Ca 0.00 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2jhb s LEU 127 Cb 0.00 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 2jhb s LEU 127 CO 0.00 -0.08 0.08 -0.70 0.23 0.00 0.00 176.35 175.89 2jhb s GLU 128 N -3.83 0.99 -0.00 1.70 2.56 0.92 -4.78 118.70 116.26 2jhb s GLU 128 Ca 0.34 -1.46 -0.04 0.00 0.00 0.00 0.00 54.97 53.81 2jhb s GLU 128 Cb -0.07 0.26 -0.04 0.00 2.00 0.00 0.00 34.13 36.27 2jhb s GLU 128 CO 0.24 -0.30 0.21 0.12 -0.56 0.00 0.00 175.26 174.97 2jhb s PHE 129 N -4.07 3.55 -0.43 5.30 5.36 -1.26 -0.91 117.98 125.53 2jhb s PHE 129 Ca 0.27 0.42 0.03 0.00 -0.96 0.00 0.00 56.93 56.68 2jhb s PHE 129 Cb 0.07 -1.88 0.12 0.00 -0.34 0.00 0.00 43.02 40.99 2jhb s PHE 129 CO 0.04 0.63 0.16 0.34 -1.46 0.00 0.00 175.22 174.93 2jhb s ASP 130 N -1.89 4.73 0.27 6.13 -1.08 -0.45 -4.54 116.67 119.84 2jhb s ASP 130 Ca 0.28 -2.46 0.01 0.00 -0.52 0.00 0.00 52.55 49.86 2jhb s ASP 130 Cb -0.13 -1.68 0.37 0.00 -1.46 0.00 0.00 42.92 40.03 2jhb s ASP 130 CO 0.18 -0.36 1.71 -0.08 0.52 0.00 0.00 175.17 177.15 2jhb h GLU 131 N 7.28 0.56 -0.19 4.34 4.81 -1.99 -0.96 114.58 128.44 2jhb h GLU 131 Ca -0.06 -0.21 -0.17 0.00 -0.13 0.00 0.00 59.36 58.80 2jhb h GLU 131 Cb 0.98 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.33 2jhb h GLU 131 CO 0.61 0.74 -0.53 1.49 -0.73 0.00 0.00 179.01 180.59 2jhb h GLU 132 N 0.50 0.70 -0.47 1.92 4.81 -1.95 -0.48 114.58 119.61 2jhb h GLU 132 Ca 0.08 -0.50 0.03 0.00 -0.13 0.00 0.00 59.36 58.84 2jhb h GLU 132 Cb 0.65 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 2jhb h GLU 132 CO 0.05 1.12 0.25 0.00 -0.73 0.00 0.00 179.01 179.69 2jhb h ARG 133 N 0.41 0.49 -0.58 1.92 -0.00 -1.93 -0.26 114.38 114.42 2jhb h ARG 133 Ca -0.01 -0.03 0.03 0.00 -0.50 0.00 0.00 59.98 59.47 2jhb h ARG 133 Cb 1.15 -0.11 -0.04 0.00 0.00 0.00 0.00 29.97 30.97 2jhb h ARG 133 CO 0.11 0.32 0.35 0.00 0.00 0.00 0.00 179.97 180.76 2jhb h ALA 134 N 1.23 0.75 -0.95 0.04 0.00 -0.55 0.39 119.26 120.18 2jhb h ALA 134 Ca 0.20 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2jhb h ALA 134 Cb 0.07 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 2jhb h ALA 134 CO -0.12 0.09 0.61 1.96 0.00 0.00 0.00 179.25 181.79 2jhb h GLN 135 N 0.70 1.26 0.26 0.00 4.20 -0.93 -0.55 115.11 120.05 2jhb h GLN 135 Ca 0.23 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 2jhb h GLN 135 Cb 0.02 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 27.52 2jhb h GLN 135 CO -0.10 0.85 -0.13 0.37 -0.67 0.00 0.00 178.83 179.15 2jhb h GLN 136 N 1.29 -0.34 0.00 1.46 4.15 0.44 -2.84 115.11 119.27 2jhb h GLN 136 Ca 0.34 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.77 2jhb h GLN 136 Cb -0.12 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.64 2jhb h GLN 136 CO -0.07 0.01 -0.07 1.49 -1.93 0.00 0.00 178.83 178.26 2jhb h GLU 137 N -0.88 0.00 0.51 1.69 4.57 -0.31 -0.80 114.58 119.36 2jhb h GLU 137 Ca -0.04 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 2jhb h GLU 137 Cb 0.51 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 2jhb h GLU 137 CO 0.06 0.07 -0.29 -0.44 -1.18 0.00 0.00 179.01 177.22 2jhb h ASP 138 N 0.00 -0.72 -0.90 1.04 3.32 -1.11 0.14 116.42 118.20 2jhb h ASP 138 Ca -0.00 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.17 2jhb h ASP 138 Cb 0.13 0.20 -0.07 0.00 0.22 0.00 0.00 39.33 39.81 2jhb h ASP 138 CO 0.01 -0.47 0.55 0.00 -1.72 0.00 0.00 179.24 177.61 2jhb h ALA 139 N -0.30 1.27 0.00 3.45 0.00 -0.97 -1.46 119.26 121.25 2jhb h ALA 139 Ca -0.06 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2jhb h ALA 139 Cb 0.60 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2jhb h ALA 139 CO 0.08 0.24 -0.38 -0.07 0.00 0.00 0.00 179.25 179.12 2jhb h LEU 140 N 0.96 0.00 -5.04 0.00 3.38 -1.03 -0.70 115.31 112.87 2jhb h LEU 140 Ca 0.41 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.79 2jhb h LEU 140 Cb 0.28 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.05 2jhb h LEU 140 CO -0.21 0.38 3.43 0.00 0.09 0.00 0.00 178.44 182.13 2jhb n ALA 141 N -2.45 6.96 -4.04 1.53 0.00 0.47 -4.65 120.51 118.34 2jhb n ALA 141 Ca -0.02 -3.15 -0.38 0.00 0.00 0.00 0.00 53.44 49.89 2jhb n ALA 141 Cb 0.42 -3.26 0.00 0.00 0.00 0.00 0.00 19.45 16.62 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 3.65 -0.41 0.00 0.00 3.00 -1.22 -4.88 117.38 117.53 2jhb n GLN 142 Ca 0.71 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.67 2jhb n GLN 142 Cb 0.24 -2.02 0.00 0.00 0.00 0.00 0.00 30.24 28.46 2jhb n GLN 142 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00