#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 -0.44 -3.80 1.61 7.64 -1.26 -5.01 113.62 112.37 2jhb n SER 2 Ca 0.00 0.09 -0.29 0.00 1.01 0.00 0.00 58.87 59.67 2jhb n SER 2 Cb 0.00 -0.01 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 2jhb n SER 2 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2jhb s MET 3 N -3.36 0.95 0.43 1.43 -2.45 -1.26 -5.12 119.30 109.92 2jhb s MET 3 Ca 0.00 -0.91 -0.26 0.00 -1.25 0.00 0.00 55.69 53.27 2jhb s MET 3 Cb 0.00 -2.23 -0.09 0.00 1.25 0.00 0.00 34.83 33.76 2jhb s MET 3 CO 0.00 -0.80 1.40 -1.25 1.05 0.00 0.00 175.02 175.42 2jhb s PRO 4 N 1.60 3.82 0.00 4.11 0.04 -1.26 -4.87 135.00 138.43 2jhb s PRO 4 Ca 0.03 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2jhb s PRO 4 Cb -0.18 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.64 2jhb s PRO 4 CO -0.15 -0.69 0.00 -2.13 0.04 0.00 0.00 177.00 174.07 2jhb n ARG 5 N -0.02 2.03 -3.92 4.56 3.00 -1.26 -5.04 116.66 116.01 2jhb n ARG 5 Ca 0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.79 2jhb n ARG 5 Cb 0.42 -0.54 -0.10 0.00 0.00 0.00 0.00 32.46 32.24 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 -0.77 0.11 0.70 5.15 -7.23 -1.26 -4.48 120.40 112.63 2jhb s VAL 6 Ca 0.00 -0.91 -0.07 0.00 -1.81 0.00 0.00 61.98 59.19 2jhb s VAL 6 Cb 0.00 -0.58 0.06 0.00 0.56 0.00 0.00 36.38 36.41 2jhb s VAL 6 CO 0.00 -0.50 1.02 0.68 -0.31 0.00 0.00 175.10 175.99 2jhb s VAL 7 N -1.89 2.42 0.00 1.32 -7.23 0.77 -4.87 120.40 110.92 2jhb s VAL 7 Ca -0.11 -0.20 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 2jhb s VAL 7 Cb -0.06 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.82 2jhb s VAL 7 CO -0.01 -0.07 0.50 -0.81 -0.31 0.00 0.00 175.10 174.40 2jhb n PRO 8 N -2.93 0.00 -2.48 4.82 -0.04 -1.26 -4.30 135.00 128.82 2jhb n PRO 8 Ca 0.08 0.48 -0.43 0.00 -0.04 0.00 0.00 63.50 63.59 2jhb n PRO 8 Cb 0.60 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.94 4.97 -0.22 3.54 2.03 -1.26 -4.86 116.55 118.81 2jhb n ASP 9 Ca 0.00 -3.02 0.01 0.00 0.52 0.00 0.00 54.79 52.30 2jhb n ASP 9 Cb 0.00 -1.56 0.12 0.00 -0.72 0.00 0.00 41.12 38.97 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 6.38 0.48 0.00 -0.67 4.20 -1.90 -1.35 115.11 122.26 2jhb h GLN 10 Ca 0.40 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 59.01 2jhb h GLN 10 Cb 0.73 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 2jhb h GLN 10 CO 1.52 0.32 -0.35 -0.09 -0.67 0.00 0.00 178.83 179.57 2jhb h ARG 11 N 0.50 0.00 -0.18 1.46 9.65 -1.97 0.98 114.38 124.83 2jhb h ARG 11 Ca 0.33 0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 58.99 2jhb h ARG 11 Cb 0.37 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.96 2jhb h ARG 11 CO -0.29 0.35 -0.74 0.77 2.80 0.00 0.00 179.97 182.87 2jhb h SER 12 N 0.00 0.95 -0.15 -3.80 0.02 -1.69 -2.99 113.55 105.88 2jhb h SER 12 Ca -0.00 -0.61 -0.11 0.00 -0.84 0.00 0.00 61.79 60.22 2jhb h SER 12 Cb 0.66 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2jhb h SER 12 CO 0.05 1.41 -0.26 0.50 -1.14 0.00 0.00 176.83 177.38 2jhb h LYS 13 N 0.56 0.61 -0.71 3.45 1.63 -0.84 -1.17 116.57 120.10 2jhb h LYS 13 Ca -0.04 -0.25 0.15 0.00 -0.85 0.00 0.00 60.65 59.66 2jhb h LYS 13 Cb 1.37 -0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 32.86 2jhb h LYS 13 CO 0.15 0.81 0.17 0.35 -3.45 0.00 0.00 179.45 177.49 2jhb h PHE 14 N 0.53 0.26 -0.10 1.91 3.57 -0.81 0.75 116.94 123.07 2jhb h PHE 14 Ca 0.07 0.04 -0.23 0.00 3.53 0.00 0.00 57.97 61.39 2jhb h PHE 14 Cb 0.73 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 39.47 2jhb h PHE 14 CO 0.03 -0.07 -0.85 1.05 -2.23 0.00 0.00 178.31 176.24 2jhb h GLU 15 N 0.27 0.69 0.26 1.11 -0.00 -1.35 -3.39 114.58 112.18 2jhb h GLU 15 Ca 0.39 -0.61 -0.01 0.00 -0.00 0.00 0.00 59.36 59.13 2jhb h GLU 15 Cb 0.65 0.14 0.00 0.00 -0.00 0.00 0.00 28.75 29.54 2jhb h GLU 15 CO -0.48 1.22 -0.13 -0.91 -0.00 0.00 0.00 179.01 178.71 2jhb h ASN 16 N 0.45 -0.30 -1.28 3.06 2.35 -0.16 -3.45 115.58 116.26 2jhb h ASN 16 Ca -0.07 0.01 -0.78 0.00 -0.55 0.00 0.00 56.30 54.91 2jhb h ASN 16 Cb 1.48 0.08 0.01 0.00 0.05 0.00 0.00 38.32 39.93 2jhb h ASN 16 CO 0.17 0.14 0.88 -0.62 -1.65 0.00 0.00 177.43 176.35 2jhb n GLU 17 N -4.91 0.73 0.31 0.81 -0.58 0.16 -4.78 120.64 112.37 2jhb n GLU 17 Ca -0.04 0.26 0.18 0.00 -0.42 0.00 0.00 57.16 57.14 2jhb n GLU 17 Cb 0.14 -1.90 0.98 0.00 -0.57 0.00 0.00 31.44 30.09 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 6.83 0.00 -0.22 3.49 4.81 -1.90 0.88 114.58 128.46 2jhb h GLU 18 Ca -0.43 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.80 2jhb h GLU 18 Cb 1.34 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 2jhb h GLU 18 CO 0.98 0.02 0.13 0.35 -0.73 0.00 0.00 179.01 179.77 2jhb h PHE 19 N 0.00 0.25 -0.32 0.92 3.04 -1.99 -2.36 116.94 116.49 2jhb h PHE 19 Ca -0.00 0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.85 2jhb h PHE 19 Cb 0.11 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 2jhb h PHE 19 CO 0.00 0.16 -0.25 0.74 -2.02 0.00 0.00 178.31 176.94 2jhb h PHE 20 N 0.28 0.71 -0.86 0.41 0.04 -1.17 -2.92 116.94 113.43 2jhb h PHE 20 Ca 0.08 -0.16 0.06 0.00 2.80 0.00 0.00 57.97 60.75 2jhb h PHE 20 Cb -0.02 -0.17 -0.05 0.00 2.20 0.00 0.00 35.95 37.91 2jhb h PHE 20 CO -0.07 0.82 0.56 0.00 -0.60 0.00 0.00 178.31 179.02 2jhb h ARG 21 N 0.55 0.93 -0.52 1.51 2.47 -1.15 0.25 114.38 118.42 2jhb h ARG 21 Ca 0.08 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.67 2jhb h ARG 21 Cb 0.72 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 2jhb h ARG 21 CO 0.06 0.62 0.03 0.87 0.56 0.00 0.00 179.97 182.11 2jhb h LYS 22 N 0.96 0.85 0.04 0.04 1.57 -1.24 -2.50 116.57 116.30 2jhb h LYS 22 Ca 0.37 -0.22 -0.26 0.00 -1.87 0.00 0.00 60.65 58.67 2jhb h LYS 22 Cb 0.21 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.43 2jhb h LYS 22 CO -0.13 0.83 -1.07 -0.07 -0.57 0.00 0.00 179.45 178.44 2jhb h LEU 23 N 0.80 0.67 0.00 2.94 3.38 -1.30 -3.38 115.31 118.42 2jhb h LEU 23 Ca 0.16 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2jhb h LEU 23 Cb 0.43 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2jhb h LEU 23 CO 0.02 1.39 0.00 -0.24 0.09 0.00 0.00 178.44 179.69 2jhb n SER 24 N -3.75 -3.28 -2.56 -0.43 2.88 0.79 -4.63 113.62 102.63 2jhb n SER 24 Ca -0.09 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.39 2jhb n SER 24 Cb 0.90 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.41 2jhb n SER 24 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jhb n ARG 25 N -0.85 -0.91 -1.27 -1.46 1.74 -1.26 -1.54 116.66 111.11 2jhb n ARG 25 Ca 0.00 -0.37 -0.54 0.00 -0.77 0.00 0.00 57.85 56.17 2jhb n ARG 25 Cb 0.00 -0.30 -0.12 0.00 -1.02 0.00 0.00 32.46 31.02 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 -1.89 0.00 -4.22 5.56 0.28 -1.26 -4.64 120.64 114.48 2jhb n GLU 26 Ca 0.03 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.89 2jhb n GLU 26 Cb 0.11 -1.46 -0.09 0.00 1.43 0.00 0.00 31.44 31.44 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 -3.88 4.40 0.11 0.00 2.56 -1.26 -0.63 118.70 119.99 2jhb s GLU 28 Ca 0.39 1.31 -0.01 0.00 0.00 0.00 0.00 54.97 56.65 2jhb s GLU 28 Cb 0.05 -2.57 -0.04 0.00 2.00 0.00 0.00 34.13 33.57 2jhb s GLU 28 CO 0.17 0.11 0.04 0.96 -0.56 0.00 0.00 175.26 175.98 2jhb s ILE 29 N -1.78 0.13 0.03 -3.70 -4.36 0.00 -0.89 121.20 110.63 2jhb s ILE 29 Ca 0.55 -1.88 -0.03 0.00 -0.26 0.00 0.00 60.65 59.03 2jhb s ILE 29 Cb -0.17 -1.92 -0.02 0.00 1.25 0.00 0.00 42.46 41.60 2jhb s ILE 29 CO 0.21 -0.59 0.02 -0.54 0.24 0.00 0.00 174.94 174.29 2jhb s LYS 30 N -4.02 0.48 0.59 0.37 1.02 0.21 -0.98 119.74 117.41 2jhb s LYS 30 Ca 0.20 -0.77 -0.18 0.00 0.02 0.00 0.00 55.97 55.24 2jhb s LYS 30 Cb 0.08 0.18 -0.03 0.00 -0.52 0.00 0.00 37.83 37.53 2jhb s LYS 30 CO -0.01 -0.10 1.16 -0.47 -0.92 0.00 0.00 175.35 175.01 2jhb s TYR 31 N -2.36 2.52 -0.32 3.18 6.14 0.05 0.03 117.35 126.59 2jhb s TYR 31 Ca -0.07 1.54 0.01 0.00 0.64 0.00 0.00 57.07 59.19 2jhb s TYR 31 Cb -0.03 -3.35 0.15 0.00 0.42 0.00 0.00 41.96 39.15 2jhb s TYR 31 CO -0.04 -1.88 0.34 0.95 0.64 0.00 0.00 175.55 175.56 2jhb s THR 32 N -1.82 -0.40 0.00 4.34 -4.23 -1.22 -4.76 115.64 107.55 2jhb s THR 32 Ca 0.73 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 2jhb s THR 32 Cb -0.26 -0.86 0.00 0.00 1.34 0.00 0.00 72.50 72.73 2jhb s THR 32 CO 0.33 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 2jhb n GLY 33 N 4.86 0.95 0.34 3.99 0.00 -1.26 -4.52 105.19 109.55 2jhb n GLY 33 Ca 0.04 -0.10 0.17 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.10 1.61 -5.15 -1.98 -0.98 116.94 110.35 2jhb h PHE 34 Ca 0.00 0.00 0.03 0.00 -0.20 0.00 0.00 57.97 57.80 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 0.37 0.07 -2.00 0.00 0.00 178.31 176.75 2jhb h ARG 35 N 0.00 0.00 0.00 6.09 -0.00 -1.94 -3.22 114.38 115.31 2jhb h ARG 35 Ca 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.01 2jhb h ARG 35 Cb 0.66 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.63 2jhb h ARG 35 CO -0.00 0.00 -0.00 -0.44 -0.00 0.00 0.00 179.97 179.53 2jhb h ASP 36 N 0.00 0.00 -3.22 0.08 5.19 -1.54 -3.44 116.42 113.50 2jhb h ASP 36 Ca 0.05 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 55.98 2jhb h ASP 36 Cb 0.78 0.00 0.22 0.00 0.18 0.00 0.00 39.33 40.51 2jhb h ASP 36 CO -0.00 0.00 -0.33 0.54 -3.12 0.00 0.00 179.24 176.33 2jhb n ARG 37 N -3.30 -1.54 -1.04 3.56 3.00 -1.22 -5.00 116.66 111.13 2jhb n ARG 37 Ca -0.03 -0.41 -0.34 0.00 -0.01 0.00 0.00 57.85 57.05 2jhb n ARG 37 Cb 0.07 -2.04 0.11 0.00 0.00 0.00 0.00 32.46 30.60 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 -3.60 0.04 -1.81 5.56 -0.04 -1.26 -4.93 135.00 128.96 2jhb n PRO 38 Ca 0.05 0.07 -0.30 0.00 -0.04 0.00 0.00 63.50 63.28 2jhb n PRO 38 Cb 0.56 -2.04 0.06 0.00 -0.04 0.00 0.00 33.50 32.04 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 -2.16 3.15 0.00 0.54 2.46 -1.26 -4.13 115.29 113.88 2jhb s HIS 39 Ca 0.65 1.02 0.00 0.00 0.47 0.00 0.00 55.06 57.20 2jhb s HIS 39 Cb -0.28 -3.15 0.00 0.00 -0.13 0.00 0.00 32.58 29.02 2jhb s HIS 39 CO 0.59 -1.42 0.00 -1.91 -2.47 0.00 0.00 174.74 169.53 2jhb n GLU 40 N -3.16 0.00 0.08 2.88 2.13 -1.26 -4.80 120.64 116.50 2jhb n GLU 40 Ca 0.07 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.75 2jhb n GLU 40 Cb 0.58 -0.93 -0.06 0.00 0.27 0.00 0.00 31.44 31.29 2jhb n GLU 40 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2jhb h GLU 41 N 1.69 0.37 0.00 5.31 4.81 -1.96 -3.29 114.58 121.50 2jhb h GLU 41 Ca 0.00 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2jhb h GLU 41 Cb 0.00 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2jhb h GLU 41 CO 0.00 1.12 -0.96 0.54 -0.73 0.00 0.00 179.01 178.98 2jhb n ARG 42 N -3.70 1.53 -0.32 1.92 3.00 -1.26 -4.74 116.66 113.10 2jhb n ARG 42 Ca -0.07 -0.03 0.18 0.00 -0.01 0.00 0.00 57.85 57.92 2jhb n ARG 42 Cb 0.87 -1.27 0.37 0.00 0.00 0.00 0.00 32.46 32.43 2jhb n ARG 42 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 2jhb h GLN 43 N 0.00 0.16 0.12 5.56 4.15 -1.93 0.55 115.11 123.72 2jhb h GLN 43 Ca 0.00 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 2jhb h GLN 43 Cb 0.45 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.11 2jhb h GLN 43 CO 0.00 0.11 -0.06 1.15 -1.93 0.00 0.00 178.83 178.10 2jhb h THR 44 N 0.17 1.08 -0.89 2.39 2.02 -1.85 -3.24 112.91 112.58 2jhb h THR 44 Ca 0.64 -1.01 0.26 0.00 0.77 0.00 0.00 66.41 67.06 2jhb h THR 44 Cb 1.41 1.69 -0.04 0.00 -1.74 0.00 0.00 68.15 69.47 2jhb h THR 44 CO -0.71 0.23 0.64 -0.09 0.37 0.00 0.00 175.52 175.96 2jhb h ARG 45 N -0.66 0.03 0.13 6.66 9.65 -1.35 -1.33 114.38 127.51 2jhb h ARG 45 Ca -0.02 -0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.88 2jhb h ARG 45 Cb 0.50 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.04 2jhb h ARG 45 CO 0.03 0.02 -0.35 0.35 2.80 0.00 0.00 179.97 182.82 2jhb h PHE 46 N 0.03 -0.96 0.00 2.20 3.57 -0.01 0.63 116.94 122.40 2jhb h PHE 46 Ca 0.43 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.95 2jhb h PHE 46 Cb 1.67 0.41 0.00 0.00 2.79 0.00 0.00 35.95 40.81 2jhb h PHE 46 CO -0.00 -0.46 0.00 1.96 -2.23 0.00 0.00 178.31 177.58 2jhb h GLN 47 N -0.59 0.00 0.00 1.11 4.20 -1.31 -2.22 115.11 116.30 2jhb h GLN 47 Ca 0.03 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 2jhb h GLN 47 Cb 0.61 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 2jhb h GLN 47 CO -0.20 0.00 -1.87 0.09 -0.67 0.00 0.00 178.83 176.18 2jhb n ASN 48 N -3.07 0.21 0.15 1.46 3.02 -0.31 -2.52 115.26 114.20 2jhb n ASN 48 Ca -0.01 0.08 0.02 0.00 -0.03 0.00 0.00 54.58 54.64 2jhb n ASN 48 Cb 0.22 1.42 0.16 0.00 -0.61 0.00 0.00 39.78 40.96 2jhb n ASN 48 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jhb h ALA 49 N 1.76 0.81 -0.51 5.41 0.00 0.32 0.13 119.26 127.19 2jhb h ALA 49 Ca -0.12 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.20 2jhb h ALA 49 Cb 1.28 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2jhb h ALA 49 CO 0.01 0.69 -0.04 0.00 0.00 0.00 0.00 179.25 179.91 2jhb h ARG 51 N 0.81 0.00 -0.63 0.00 3.08 -1.12 -3.15 114.38 113.36 2jhb h ARG 51 Ca 0.15 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.37 2jhb h ARG 51 Cb 0.54 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 2jhb h ARG 51 CO 0.03 0.00 0.45 0.22 -1.07 0.00 0.00 179.97 179.60 2jhb h ASP 52 N 0.00 0.04 0.00 7.04 1.82 -0.80 0.18 116.42 124.70 2jhb h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2jhb h ASP 52 Cb 1.00 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.00 2jhb h ASP 52 CO 0.00 0.02 0.00 0.61 -1.61 0.00 0.00 179.24 178.26 2jhb n GLY 53 N -1.65 0.44 3.49 -0.78 0.00 -1.19 -1.80 105.19 103.69 2jhb n GLY 53 Ca 0.12 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.23 -0.06 1.61 1.85 -1.26 -4.11 116.66 114.46 2jhb n ARG 54 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 2jhb n ARG 54 Cb 0.00 -1.99 0.00 0.00 -1.05 0.00 0.00 32.46 29.42 2jhb n ARG 54 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2jhb n SER 55 N -1.90 0.00 -3.64 2.89 2.88 0.22 -4.80 113.62 109.26 2jhb n SER 55 Ca 0.08 -0.04 -0.20 0.00 -1.33 0.00 0.00 58.87 57.38 2jhb n SER 55 Cb 0.53 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.82 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 0.89 -0.01 0.24 -1.46 2.02 -1.26 -0.66 118.70 118.46 2jhb s GLU 56 Ca 0.00 0.31 0.03 0.00 0.02 0.00 0.00 54.97 55.33 2jhb s GLU 56 Cb 0.00 -0.79 -0.05 0.00 0.10 0.00 0.00 34.13 33.39 2jhb s GLU 56 CO 0.00 -0.42 0.01 0.42 0.02 0.00 0.00 175.26 175.29 2jhb s ILE 57 N 2.20 1.01 0.14 -1.63 1.01 -0.64 -3.41 121.20 119.88 2jhb s ILE 57 Ca 0.04 -2.03 0.00 0.00 0.00 0.00 0.00 60.65 58.67 2jhb s ILE 57 Cb -0.13 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 2jhb s ILE 57 CO -0.06 -0.27 0.02 0.00 0.00 0.00 0.00 174.94 174.63 2jhb s ALA 58 N -3.43 1.03 0.63 9.38 0.00 0.10 -0.65 121.76 128.83 2jhb s ALA 58 Ca 0.30 -1.48 -0.02 0.00 0.00 0.00 0.00 51.96 50.76 2jhb s ALA 58 Cb 0.06 0.62 0.06 0.00 0.00 0.00 0.00 23.12 23.86 2jhb s ALA 58 CO 0.10 -0.39 0.89 -0.06 0.00 0.00 0.00 175.76 176.30 2jhb s PHE 59 N -3.84 2.69 -0.02 0.00 0.40 0.25 -0.62 117.98 116.84 2jhb s PHE 59 Ca 0.21 0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.66 2jhb s PHE 59 Cb 0.07 -2.96 -0.02 0.00 0.51 0.00 0.00 43.02 40.62 2jhb s PHE 59 CO 0.01 -1.20 -0.02 0.28 0.70 0.00 0.00 175.22 175.00 2jhb n VAL 60 N -2.63 0.13 0.21 -0.44 0.31 -0.07 -3.73 118.33 112.11 2jhb n VAL 60 Ca 0.09 -0.05 -0.11 0.00 -0.01 0.00 0.00 64.34 64.26 2jhb n VAL 60 Cb 0.60 -0.60 -0.06 0.00 -0.91 0.00 0.00 33.84 32.88 2jhb n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jhb h ALA 61 N 0.00 -1.04 0.08 3.52 0.00 -1.92 -3.06 119.26 116.84 2jhb h ALA 61 Ca -0.05 -0.13 -0.28 0.00 0.00 0.00 0.00 54.91 54.45 2jhb h ALA 61 Cb 1.08 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 2jhb h ALA 61 CO -0.01 -1.04 -1.44 1.15 0.00 0.00 0.00 179.25 177.91 2jhb h THR 62 N -0.63 1.23 -2.86 0.00 2.02 -1.90 -3.50 112.91 107.26 2jhb h THR 62 Ca -0.05 -2.91 0.00 0.00 0.77 0.00 0.00 66.41 64.22 2jhb h THR 62 Cb 0.53 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.68 2jhb h THR 62 CO 0.01 0.81 0.00 0.61 0.37 0.00 0.00 175.52 177.32 2jhb n GLY 63 N 1.59 -2.71 2.69 2.16 0.00 -1.16 -5.09 105.19 102.67 2jhb n GLY 63 Ca -0.13 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 0.16 0.24 2.61 2.01 -1.24 -4.90 115.64 114.52 2jhb s THR 64 Ca 0.00 -0.09 -0.31 0.00 0.31 0.00 0.00 61.69 61.60 2jhb s THR 64 Cb 0.00 -0.60 -0.13 0.00 0.01 0.00 0.00 72.50 71.78 2jhb s THR 64 CO 0.00 -0.06 1.41 -3.20 -0.69 0.00 0.00 174.62 172.08 2jhb n ASN 65 N 5.20 2.80 -3.77 3.53 5.15 -1.26 -0.58 115.26 126.32 2jhb n ASN 65 Ca -0.07 1.14 -0.13 0.00 -0.60 0.00 0.00 54.58 54.93 2jhb n ASN 65 Cb 0.49 -1.44 -0.13 0.00 -0.53 0.00 0.00 39.78 38.17 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 0.05 0.93 -0.53 1.20 -0.00 0.18 -4.95 118.68 115.56 2jhb s LEU 66 Ca 0.68 0.38 -0.26 0.00 -0.00 0.00 0.00 54.13 54.93 2jhb s LEU 66 Cb -0.64 0.57 0.03 0.00 -0.00 0.00 0.00 46.19 46.15 2jhb s LEU 66 CO 0.50 -0.11 1.01 -0.44 -0.00 0.00 0.00 176.35 177.30 2jhb s SER 67 N 0.68 6.41 0.55 1.48 0.01 -1.26 -1.63 113.70 119.94 2jhb s SER 67 Ca -0.05 -0.10 -0.18 0.00 1.31 0.00 0.00 55.95 56.93 2jhb s SER 67 Cb -0.06 -2.47 -0.06 0.00 0.21 0.00 0.00 66.02 63.64 2jhb s SER 67 CO -0.04 -1.25 1.06 -0.76 0.41 0.00 0.00 173.24 172.66 2jhb s LEU 68 N 4.17 3.65 -0.47 2.44 1.43 0.16 -4.88 118.68 125.19 2jhb s LEU 68 Ca 0.36 1.89 0.03 0.00 -1.03 0.00 0.00 54.13 55.38 2jhb s LEU 68 Cb -0.10 -4.55 0.15 0.00 0.03 0.00 0.00 46.19 41.72 2jhb s LEU 68 CO 0.23 -1.03 0.31 -1.10 0.23 0.00 0.00 176.35 174.99 2jhb s GLN 69 N -3.69 1.29 -1.30 1.70 -0.21 -1.26 -0.61 119.66 115.57 2jhb s GLN 69 Ca 0.66 -2.20 -0.15 0.00 0.02 0.00 0.00 55.36 53.69 2jhb s GLN 69 Cb -0.17 -2.11 -0.02 0.00 1.00 0.00 0.00 33.01 31.71 2jhb s GLN 69 CO 0.30 -1.26 2.25 1.19 -2.12 0.00 0.00 175.29 175.64 2jhb n PHE 70 N 3.10 2.93 -3.88 0.91 3.01 -1.26 -3.72 117.46 118.56 2jhb n PHE 70 Ca 0.18 -2.69 -0.29 0.00 1.01 0.00 0.00 57.45 55.66 2jhb n PHE 70 Cb 0.39 -2.32 -0.13 0.00 -0.01 0.00 0.00 39.48 37.41 2jhb n PHE 70 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2jhb s PHE 71 N 3.48 3.08 1.00 1.38 0.08 -1.26 -4.66 117.98 121.08 2jhb s PHE 71 Ca 0.52 -3.11 -0.12 0.00 0.12 0.00 0.00 56.93 54.34 2jhb s PHE 71 Cb 0.14 -2.57 0.19 0.00 -0.57 0.00 0.00 43.02 40.21 2jhb s PHE 71 CO -0.04 -0.68 1.09 -1.25 -0.10 0.00 0.00 175.22 174.25 2jhb s PRO 72 N -0.63 0.41 0.57 0.24 0.04 -1.26 -4.71 135.00 129.66 2jhb s PRO 72 Ca 0.21 0.56 0.27 0.00 0.04 0.00 0.00 61.00 62.07 2jhb s PRO 72 Cb -0.16 -1.73 1.56 0.00 0.04 0.00 0.00 34.50 34.20 2jhb s PRO 72 CO -0.07 -2.75 2.07 0.00 0.04 0.00 0.00 177.00 176.28 2jhb h ALA 73 N -1.91 1.98 -1.94 8.56 0.00 -1.98 -3.05 119.26 120.92 2jhb h ALA 73 Ca -0.54 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 53.66 2jhb h ALA 73 Cb 1.33 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.96 2jhb h ALA 73 CO 0.57 -0.37 0.83 -1.54 0.00 0.00 0.00 179.25 178.74 2jhb s SER 74 N -5.94 6.64 0.35 0.00 1.04 -1.26 -5.03 113.70 109.51 2jhb s SER 74 Ca -0.05 -2.08 -0.27 0.00 0.48 0.00 0.00 55.95 54.03 2jhb s SER 74 Cb 0.16 -2.40 -0.09 0.00 0.10 0.00 0.00 66.02 63.80 2jhb s SER 74 CO 0.59 -1.05 1.16 0.26 0.98 0.00 0.00 173.24 175.19 2jhb s TRP 75 N 2.61 3.24 0.00 5.02 0.52 -1.16 -4.88 118.94 124.29 2jhb s TRP 75 Ca 0.33 1.58 0.00 0.00 0.02 0.00 0.00 56.10 58.03 2jhb s TRP 75 Cb -0.05 -3.39 0.00 0.00 -1.15 0.00 0.00 33.47 28.89 2jhb s TRP 75 CO -0.09 -1.11 0.00 0.00 0.02 0.00 0.00 176.95 175.76 2jhb n GLN 76 N 0.53 0.00 -2.22 4.98 -0.00 -1.26 -5.07 117.38 114.34 2jhb n GLN 76 Ca 0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 57.00 56.87 2jhb n GLN 76 Cb 0.45 -0.43 -0.01 0.00 -0.00 0.00 0.00 30.24 30.25 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 -0.12 2.37 2.61 0.00 -1.26 -4.94 105.19 105.73 2jhb n GLY 77 Ca 0.00 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.44 0.78 -3.27 1.61 2.13 -1.18 -4.77 120.64 113.49 2jhb n GLU 78 Ca -0.18 -2.77 -0.28 0.00 0.66 0.00 0.00 57.16 54.60 2jhb n GLU 78 Cb 0.62 -1.33 0.03 0.00 0.27 0.00 0.00 31.44 31.03 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 1.28 -2.10 -1.73 5.31 0.00 -0.75 -4.88 117.38 114.51 2jhb n GLN 79 Ca 0.17 1.68 -0.42 0.00 -0.00 0.00 0.00 57.00 58.44 2jhb n GLN 79 Cb 0.58 -3.37 -0.02 0.00 0.00 0.00 0.00 30.24 27.43 2jhb n GLN 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2jhb n ARG 80 N -0.23 2.70 0.00 3.69 0.00 0.62 -4.94 116.66 118.50 2jhb n ARG 80 Ca -0.01 0.96 0.00 0.00 -0.00 0.00 0.00 57.85 58.80 2jhb n ARG 80 Cb 0.60 -2.76 0.00 0.00 0.00 0.00 0.00 32.46 30.30 2jhb n ARG 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jhb n GLN 81 N 2.68 0.00 -3.71 -0.14 10.64 -1.26 -4.58 117.38 121.01 2jhb n GLN 81 Ca 0.11 0.04 -0.37 0.00 -1.83 0.00 0.00 57.00 54.95 2jhb n GLN 81 Cb 0.36 -0.91 -0.09 0.00 -0.86 0.00 0.00 30.24 28.74 2jhb n GLN 81 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2jhb s THR 82 N -0.87 3.74 1.26 -0.39 2.01 -1.26 -5.09 115.64 115.04 2jhb s THR 82 Ca 0.00 -2.86 -0.17 0.00 0.31 0.00 0.00 61.69 58.96 2jhb s THR 82 Cb 0.00 -3.45 0.28 0.00 0.01 0.00 0.00 72.50 69.35 2jhb s THR 82 CO 0.00 -0.87 0.73 -2.65 -0.69 0.00 0.00 174.62 171.14 2jhb n PRO 83 N 3.60 -3.15 -1.36 4.92 -0.02 -1.26 -5.01 135.00 132.73 2jhb n PRO 83 Ca 0.07 -0.91 -0.30 0.00 -2.02 0.00 0.00 63.50 60.33 2jhb n PRO 83 Cb 0.38 -1.94 0.10 0.00 -0.02 0.00 0.00 33.50 32.02 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 -2.46 4.26 0.29 2.55 0.01 -1.26 -4.75 113.70 112.34 2jhb s SER 84 Ca 0.63 1.53 0.06 0.00 1.31 0.00 0.00 55.95 59.48 2jhb s SER 84 Cb -0.17 -2.26 0.44 0.00 0.21 0.00 0.00 66.02 64.24 2jhb s SER 84 CO 0.60 -2.15 1.70 0.03 0.41 0.00 0.00 173.24 173.83 2jhb h ARG 85 N -1.21 0.29 -0.01 12.44 3.08 -1.79 -1.00 114.38 126.18 2jhb h ARG 85 Ca -0.47 -0.13 -0.20 0.00 0.07 0.00 0.00 59.98 59.25 2jhb h ARG 85 Cb 1.26 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 2jhb h ARG 85 CO 0.55 0.64 -0.87 1.49 -1.07 0.00 0.00 179.97 180.71 2jhb h GLU 86 N 0.24 0.26 0.00 0.04 4.57 -1.91 -3.39 114.58 114.39 2jhb h GLU 86 Ca 0.02 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 2jhb h GLU 86 Cb 0.80 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.46 2jhb h GLU 86 CO 0.06 0.98 0.00 0.66 -1.18 0.00 0.00 179.01 179.53 2jhb n TYR 87 N -3.70 0.00 -3.73 0.92 4.02 -0.49 -2.59 117.16 111.59 2jhb n TYR 87 Ca -0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.72 2jhb n TYR 87 Cb 0.79 -0.46 -0.10 0.00 -0.02 0.00 0.00 39.34 39.56 2jhb n TYR 87 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2jhb s VAL 88 N -2.08 -0.00 0.01 -0.72 1.01 -0.55 -1.21 120.40 116.86 2jhb s VAL 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2jhb s VAL 88 Cb 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.78 2jhb s VAL 88 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 175.10 174.43 2jhb n ASP 89 N 2.93 -3.59 -0.70 3.32 2.03 -1.26 -4.13 116.55 115.14 2jhb n ASP 89 Ca -0.14 0.38 0.00 0.00 0.52 0.00 0.00 54.79 55.56 2jhb n ASP 89 Cb 0.57 -1.89 -0.00 0.00 -0.72 0.00 0.00 41.12 39.08 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 0.39 0.10 0.00 -2.67 -0.00 -1.26 -4.32 117.00 109.24 2jhb n LEU 90 Ca 0.00 -1.24 0.00 0.00 -0.00 0.00 0.00 56.01 54.77 2jhb n LEU 90 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2jhb n LEU 90 CO 0.00 0.55 0.00 1.21 -0.00 0.00 0.00 177.39 179.15 2jhb n GLU 91 N 0.08 0.00 0.00 1.47 2.13 -1.26 -4.24 120.64 118.83 2jhb n GLU 91 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 2jhb n GLU 91 Cb 0.73 -3.49 0.00 0.00 0.27 0.00 0.00 31.44 28.95 2jhb n GLU 91 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2jhb n ARG 92 N -2.00 0.00 0.00 5.31 3.00 -1.26 -5.14 116.66 116.57 2jhb n ARG 92 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2jhb n ARG 92 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 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 1.97 -0.11 -1.69 5.56 4.07 -0.20 -4.89 120.64 125.35 2jhb n GLU 93 Ca 0.00 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.91 2jhb n GLU 93 Cb 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.32 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 -3.84 1.04 -0.62 4.31 0.00 -1.26 -3.33 121.76 118.06 2jhb s ALA 94 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.10 2jhb s ALA 94 Cb 0.00 -4.54 0.00 0.00 0.00 0.00 0.00 23.12 18.58 2jhb s ALA 94 CO 0.00 -5.48 0.00 0.41 0.00 0.00 0.00 175.76 170.69 2jhb n GLY 95 N 6.70 0.56 3.38 0.00 0.00 -1.26 -4.92 105.19 109.65 2jhb n GLY 95 Ca 0.43 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.07 1.52 0.14 1.61 -2.85 -1.21 -1.47 119.74 115.41 2jhb s LYS 96 Ca 0.00 -1.83 0.08 0.00 -1.00 0.00 0.00 55.97 53.22 2jhb s LYS 96 Cb 0.00 -0.54 -0.04 0.00 -2.06 0.00 0.00 37.83 35.19 2jhb s LYS 96 CO 0.00 -0.24 -0.10 0.54 0.10 0.00 0.00 175.35 175.64 2jhb s VAL 97 N -3.54 3.25 0.41 1.79 0.11 0.00 -1.04 120.40 121.38 2jhb s VAL 97 Ca 0.37 -1.46 -0.02 0.00 -2.93 0.00 0.00 61.98 57.94 2jhb s VAL 97 Cb 0.08 -2.56 -0.04 0.00 -1.53 0.00 0.00 36.38 32.34 2jhb s VAL 97 CO 0.14 0.01 0.66 -0.31 -3.33 0.00 0.00 175.10 172.28 2jhb s TYR 98 N -1.42 3.53 -0.02 1.54 1.51 -1.26 -1.16 117.35 120.08 2jhb s TYR 98 Ca 0.23 0.58 -0.14 0.00 -1.01 0.00 0.00 57.07 56.73 2jhb s TYR 98 Cb -0.10 -2.09 0.02 0.00 -0.11 0.00 0.00 41.96 39.68 2jhb s TYR 98 CO 0.14 -0.06 0.29 -0.51 -1.11 0.00 0.00 175.55 174.30 2jhb s LEU 99 N -4.48 0.92 -0.27 -1.29 1.43 0.13 -4.60 118.68 110.51 2jhb s LEU 99 Ca 0.44 0.08 -0.23 0.00 -1.03 0.00 0.00 54.13 53.38 2jhb s LEU 99 Cb -0.10 1.20 0.09 0.00 0.03 0.00 0.00 46.19 47.41 2jhb s LEU 99 CO 0.40 -0.42 0.80 -0.75 0.23 0.00 0.00 176.35 176.60 2jhb s LYS 100 N -1.27 0.73 -0.25 1.70 2.20 -0.35 -1.51 119.74 121.00 2jhb s LYS 100 Ca -0.13 0.92 -0.05 0.00 -0.36 0.00 0.00 55.97 56.36 2jhb s LYS 100 Cb -0.05 0.32 0.13 0.00 -1.51 0.00 0.00 37.83 36.72 2jhb s LYS 100 CO 0.04 -0.10 0.48 0.00 -0.36 0.00 0.00 175.35 175.41 2jhb s ALA 101 N 0.54 -1.49 -0.07 3.13 0.00 0.00 -4.42 121.76 119.46 2jhb s ALA 101 Ca -0.01 1.51 -0.30 0.00 0.00 0.00 0.00 51.96 53.16 2jhb s ALA 101 Cb -0.05 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 2jhb s ALA 101 CO -0.04 -1.06 1.40 -1.25 0.00 0.00 0.00 175.76 174.81 2jhb s PRO 102 N 2.68 4.25 -0.02 0.00 0.04 -1.24 -0.94 135.00 139.77 2jhb s PRO 102 Ca 0.07 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 2jhb s PRO 102 Cb -0.14 -3.73 -0.04 0.00 0.04 0.00 0.00 34.50 30.64 2jhb s PRO 102 CO -0.16 -0.67 0.11 -1.64 0.04 0.00 0.00 177.00 174.68 2jhb s MET 103 N 3.10 3.19 -0.54 4.56 1.00 0.15 -4.47 119.30 126.28 2jhb s MET 103 Ca 0.63 -0.40 -0.16 0.00 0.00 0.00 0.00 55.69 55.75 2jhb s MET 103 Cb -0.28 -2.95 0.13 0.00 0.00 0.00 0.00 34.83 31.72 2jhb s MET 103 CO 0.23 0.67 0.51 0.42 0.00 0.00 0.00 175.02 176.86 2jhb s ILE 104 N -1.19 5.18 -0.11 2.53 1.01 -1.26 -2.01 121.20 125.35 2jhb s ILE 104 Ca 0.23 -1.45 0.01 0.00 0.00 0.00 0.00 60.65 59.44 2jhb s ILE 104 Cb -0.12 -4.35 0.02 0.00 0.01 0.00 0.00 42.46 38.02 2jhb s ILE 104 CO 0.13 -0.89 -0.14 -0.76 0.00 0.00 0.00 174.94 173.29 2jhb s LEU 105 N 1.69 1.66 0.00 2.97 2.01 -0.77 -4.66 118.68 121.58 2jhb s LEU 105 Ca 0.04 -0.42 0.00 0.00 0.01 0.00 0.00 54.13 53.76 2jhb s LEU 105 Cb -0.29 -1.06 0.00 0.00 0.01 0.00 0.00 46.19 44.84 2jhb s LEU 105 CO 0.03 -0.01 0.00 -3.20 1.01 0.00 0.00 176.35 174.19 2jhb n ASN 106 N 4.32 0.00 0.00 2.29 2.85 -1.26 -0.84 115.26 122.62 2jhb n ASN 106 Ca -0.18 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 2jhb n ASN 106 Cb 0.51 -0.23 0.00 0.00 1.24 0.00 0.00 39.78 41.30 2jhb n ASN 106 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jhb n GLY 107 N -0.82 1.58 2.96 8.20 0.00 -1.26 -4.52 105.19 111.32 2jhb n GLY 107 Ca 0.00 0.00 -0.29 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 -2.00 1.36 -1.08 1.61 1.01 -0.02 -0.16 120.40 121.11 2jhb s VAL 108 Ca 0.00 -0.60 -0.22 0.00 0.00 0.00 0.00 61.98 61.16 2jhb s VAL 108 Cb 0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 2jhb s VAL 108 CO 0.00 0.33 1.79 0.00 0.00 0.00 0.00 175.10 177.22 2jhb s VAL 110 N 8.09 4.67 -0.19 0.00 -7.23 -0.85 -1.23 120.40 123.66 2jhb s VAL 110 Ca 0.61 0.89 -0.22 0.00 -1.81 0.00 0.00 61.98 61.45 2jhb s VAL 110 Cb -0.02 -3.71 -0.02 0.00 0.56 0.00 0.00 36.38 33.20 2jhb s VAL 110 CO 0.03 -0.53 0.70 -0.63 -0.31 0.00 0.00 175.10 174.36 2jhb s ILE 111 N -2.40 4.97 -0.08 -0.62 1.01 0.38 -0.68 121.20 123.78 2jhb s ILE 111 Ca 0.55 1.34 -0.21 0.00 0.00 0.00 0.00 60.65 62.32 2jhb s ILE 111 Cb -0.10 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 2jhb s ILE 111 CO 0.29 0.07 0.61 0.86 0.00 0.00 0.00 174.94 176.78 2jhb s TRP 112 N 2.04 3.56 0.15 3.97 -0.00 -0.12 -0.24 118.94 128.31 2jhb s TRP 112 Ca 0.32 1.12 0.03 0.00 -0.00 0.00 0.00 56.10 57.56 2jhb s TRP 112 Cb -0.16 -2.70 -0.05 0.00 -0.00 0.00 0.00 33.47 30.56 2jhb s TRP 112 CO 0.11 0.14 -0.04 -1.59 -0.00 0.00 0.00 176.95 175.56 2jhb s LYS 113 N 0.66 1.06 0.00 5.86 -2.85 -0.16 -0.82 119.74 123.48 2jhb s LYS 113 Ca 0.33 -1.48 0.00 0.00 -1.00 0.00 0.00 55.97 53.82 2jhb s LYS 113 Cb -0.17 -0.38 0.00 0.00 -2.06 0.00 0.00 37.83 35.22 2jhb s LYS 113 CO 0.15 -0.05 0.00 0.41 0.10 0.00 0.00 175.35 175.96 2jhb n GLY 114 N -0.20 -0.58 3.35 0.59 0.00 -0.57 -0.64 105.19 107.13 2jhb n GLY 114 Ca -0.09 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.47 2jhb n GLY 114 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2jhb s TRP 115 N -2.00 2.92 -0.44 1.61 -2.14 0.59 -0.69 118.94 118.78 2jhb s TRP 115 Ca 0.00 -0.80 -0.17 0.00 2.66 0.00 0.00 56.10 57.80 2jhb s TRP 115 Cb 0.00 -2.01 0.04 0.00 -3.10 0.00 0.00 33.47 28.40 2jhb s TRP 115 CO 0.00 -0.40 0.43 0.42 -2.66 0.00 0.00 176.95 174.75 2jhb s ILE 116 N 1.01 5.11 0.41 0.66 -1.09 -0.31 -1.13 121.20 125.88 2jhb s ILE 116 Ca -0.00 -0.57 -0.26 0.00 -2.23 0.00 0.00 60.65 57.59 2jhb s ILE 116 Cb -0.15 -4.08 -0.10 0.00 -1.58 0.00 0.00 42.46 36.56 2jhb s ILE 116 CO -0.00 -0.49 1.32 -0.67 -1.23 0.00 0.00 174.94 173.87 2jhb n ASP 117 N 5.53 2.84 0.14 3.58 2.03 -0.24 -0.82 116.55 129.61 2jhb n ASP 117 Ca -0.09 1.13 0.13 0.00 0.52 0.00 0.00 54.79 56.48 2jhb n ASP 117 Cb 0.46 -1.53 0.48 0.00 -0.72 0.00 0.00 41.12 39.81 2jhb n ASP 117 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2jhb h LEU 118 N 2.25 0.00 -0.77 -2.67 3.38 -1.53 -2.64 115.31 113.33 2jhb h LEU 118 Ca -0.48 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 2jhb h LEU 118 Cb 1.28 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 2jhb h LEU 118 CO 0.61 0.00 0.29 1.12 0.09 0.00 0.00 178.44 180.55 2jhb h HIS 119 N 0.00 1.19 0.00 1.13 2.07 -1.89 -3.34 115.15 114.31 2jhb h HIS 119 Ca 0.00 -0.10 0.00 0.00 -2.85 0.00 0.00 60.37 57.42 2jhb h HIS 119 Cb 0.48 -0.35 0.00 0.00 2.57 0.00 0.00 27.41 30.10 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 -4.29 0.00 -2.81 5.12 5.12 -1.26 -4.89 116.66 113.66 2jhb n ARG 120 Ca 0.07 -0.08 -0.14 0.00 -1.93 0.00 0.00 57.85 55.77 2jhb n ARG 120 Cb 0.20 -0.27 0.03 0.00 -1.16 0.00 0.00 32.46 31.25 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 -2.36 -5.01 0.55 7.99 -0.99 -4.90 117.00 112.27 2jhb n LEU 121 Ca 0.00 -0.21 -0.20 0.00 -0.01 0.00 0.00 56.01 55.60 2jhb n LEU 121 Cb 0.32 -2.01 0.05 0.00 -0.11 0.00 0.00 43.42 41.67 2jhb n LEU 121 CO 0.00 0.19 0.33 -1.81 -1.51 0.00 0.00 177.39 174.60 2jhb s ASP 122 N -2.90 5.14 0.00 -1.43 1.01 -1.25 -0.77 116.67 116.46 2jhb s ASP 122 Ca 0.22 -0.57 0.00 0.00 0.71 0.00 0.00 52.55 52.91 2jhb s ASP 122 Cb -0.10 -0.13 0.00 0.00 1.01 0.00 0.00 42.92 43.70 2jhb s ASP 122 CO 0.27 -1.26 0.00 0.61 0.21 0.00 0.00 175.17 175.01 2jhb n GLY 123 N -2.25 -0.54 2.96 0.21 0.00 -0.16 -1.08 105.19 104.34 2jhb n GLY 123 Ca 0.13 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 2jhb n GLY 123 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jhb s MET 124 N -1.78 0.17 0.04 1.61 -2.45 -0.28 -0.82 119.30 115.80 2jhb s MET 124 Ca 0.00 -0.13 -0.14 0.00 -1.25 0.00 0.00 55.69 54.16 2jhb s MET 124 Cb 0.00 0.07 0.05 0.00 1.25 0.00 0.00 34.83 36.20 2jhb s MET 124 CO 0.00 -0.03 0.67 0.41 1.05 0.00 0.00 175.02 177.12 2jhb n GLY 125 N 2.53 0.64 1.78 2.11 0.00 0.19 -0.30 105.19 112.13 2jhb n GLY 125 Ca -0.16 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2jhb n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jhb s LEU 127 N 0.00 4.02 0.00 0.00 1.43 -0.59 -0.99 118.68 122.55 2jhb s LEU 127 Ca 0.12 -0.04 -0.05 0.00 -1.03 0.00 0.00 54.13 53.14 2jhb s LEU 127 Cb -0.01 -2.85 0.02 0.00 0.03 0.00 0.00 46.19 43.38 2jhb s LEU 127 CO 0.01 -0.37 0.48 1.21 0.23 0.00 0.00 176.35 177.91 2jhb n GLU 128 N -1.64 0.70 -3.95 1.70 2.13 0.66 -4.61 120.64 115.63 2jhb n GLU 128 Ca -0.02 -2.23 -0.28 0.00 0.66 0.00 0.00 57.16 55.29 2jhb n GLU 128 Cb 0.58 2.30 -0.04 0.00 0.27 0.00 0.00 31.44 34.55 2jhb n GLU 128 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2jhb s PHE 129 N -3.27 3.47 -0.61 4.31 5.36 -1.26 -0.47 117.98 125.52 2jhb s PHE 129 Ca 0.21 0.15 0.01 0.00 -0.96 0.00 0.00 56.93 56.34 2jhb s PHE 129 Cb -0.02 -1.69 0.15 0.00 -0.34 0.00 0.00 43.02 41.13 2jhb s PHE 129 CO 0.15 0.54 0.39 0.34 -1.46 0.00 0.00 175.22 175.18 2jhb s ASP 130 N -2.98 4.84 0.36 6.13 -1.08 -0.36 -4.20 116.67 119.38 2jhb s ASP 130 Ca 0.34 -3.08 0.08 0.00 -0.52 0.00 0.00 52.55 49.37 2jhb s ASP 130 Cb -0.12 -1.75 0.69 0.00 -1.46 0.00 0.00 42.92 40.28 2jhb s ASP 130 CO 0.28 -0.27 1.87 -0.08 0.52 0.00 0.00 175.17 177.49 2jhb h GLU 131 N 6.58 0.30 -0.01 4.34 4.81 -1.98 0.18 114.58 128.80 2jhb h GLU 131 Ca -0.02 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2jhb h GLU 131 Cb 0.90 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2jhb h GLU 131 CO 0.71 0.46 -0.02 1.49 -0.73 0.00 0.00 179.01 180.92 2jhb h GLU 132 N 0.28 0.03 0.00 1.92 4.57 -1.95 0.44 114.58 119.87 2jhb h GLU 132 Ca 0.05 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 2jhb h GLU 132 Cb 0.44 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2jhb h GLU 132 CO 0.03 0.62 -0.08 0.00 -1.18 0.00 0.00 179.01 178.40 2jhb h ARG 133 N -0.56 0.00 0.22 1.92 2.47 -1.91 -0.09 114.38 116.44 2jhb h ARG 133 Ca -0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2jhb h ARG 133 Cb 0.62 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 2jhb h ARG 133 CO 0.00 0.08 -0.11 0.00 0.56 0.00 0.00 179.97 180.51 2jhb h ALA 134 N 1.92 -0.29 0.00 0.04 0.00 -0.61 -1.61 119.26 118.71 2jhb h ALA 134 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2jhb h ALA 134 Cb 0.88 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2jhb h ALA 134 CO 0.01 -0.61 -0.08 1.96 0.00 0.00 0.00 179.25 180.53 2jhb h GLN 135 N -0.41 0.00 0.15 0.00 4.20 -0.21 0.19 115.11 119.03 2jhb h GLN 135 Ca -0.03 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2jhb h GLN 135 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2jhb h GLN 135 CO 0.05 0.08 -0.07 1.96 -0.67 0.00 0.00 178.83 180.18 2jhb h GLN 136 N 0.00 -0.19 -0.38 1.46 1.08 -0.89 -2.57 115.11 113.61 2jhb h GLN 136 Ca -0.00 0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 2jhb h GLN 136 Cb 0.22 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 2jhb h GLN 136 CO 0.01 0.19 -0.10 1.49 -0.95 0.00 0.00 178.83 179.46 2jhb h GLU 137 N -0.62 0.66 -0.06 1.46 4.57 -0.45 -0.03 114.58 120.11 2jhb h GLU 137 Ca -0.02 -0.20 0.03 0.00 -1.18 0.00 0.00 59.36 57.98 2jhb h GLU 137 Cb 0.47 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 2jhb h GLU 137 CO 0.03 0.75 -0.10 -0.44 -1.18 0.00 0.00 179.01 178.07 2jhb h ASP 138 N 0.60 -0.30 -0.49 1.04 5.19 -0.77 -0.90 116.42 120.80 2jhb h ASP 138 Ca 0.11 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.56 2jhb h ASP 138 Cb 0.53 0.14 -0.02 0.00 0.18 0.00 0.00 39.33 40.17 2jhb h ASP 138 CO 0.03 -0.14 0.23 0.00 -3.12 0.00 0.00 179.24 176.25 2jhb h ALA 139 N 0.89 0.63 0.00 3.45 0.00 -1.00 -2.83 119.26 120.40 2jhb h ALA 139 Ca 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2jhb h ALA 139 Cb 0.23 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2jhb h ALA 139 CO -0.15 0.19 -0.12 -0.07 0.00 0.00 0.00 179.25 179.10 2jhb h LEU 140 N 0.65 0.00 -5.75 0.00 3.38 -0.73 -2.29 115.31 110.57 2jhb h LEU 140 Ca 0.17 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.66 2jhb h LEU 140 Cb 0.12 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.90 2jhb h LEU 140 CO -0.02 0.12 2.58 0.00 0.09 0.00 0.00 178.44 181.21 2jhb n ALA 141 N -2.30 4.42 -3.84 1.53 0.00 -0.37 -4.56 120.51 115.40 2jhb n ALA 141 Ca -0.02 -2.50 -0.25 0.00 0.00 0.00 0.00 53.44 50.67 2jhb n ALA 141 Cb 0.23 -3.22 -0.04 0.00 0.00 0.00 0.00 19.45 16.43 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 5.07 -0.79 0.00 0.00 3.00 -1.25 -5.02 117.38 118.40 2jhb n GLN 142 Ca 0.47 -0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.59 2jhb n GLN 142 Cb 0.22 -2.11 0.31 0.00 0.00 0.00 0.00 30.24 28.66 2jhb n GLN 142 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00