#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jhb s SER 2 N 0.00 2.77 -0.37 1.61 1.04 -1.26 -5.03 113.70 112.46 2jhb s SER 2 Ca 0.00 -2.63 0.13 0.00 0.48 0.00 0.00 55.95 53.93 2jhb s SER 2 Cb 0.00 -0.62 0.40 0.00 0.10 0.00 0.00 66.02 65.91 2jhb s SER 2 CO 0.00 -0.25 0.88 0.80 0.98 0.00 0.00 173.24 175.65 2jhb n MET 3 N 3.47 1.47 -2.65 4.02 0.00 -1.26 -5.12 117.12 117.05 2jhb n MET 3 Ca 0.17 -3.56 -0.37 0.00 -0.00 0.00 0.00 57.70 53.94 2jhb n MET 3 Cb 0.40 -1.60 -0.05 0.00 0.00 0.00 0.00 33.22 31.96 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 -2.93 4.46 0.00 2.12 0.04 -1.26 -4.65 135.00 132.78 2jhb s PRO 4 Ca 0.36 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2jhb s PRO 4 Cb 0.40 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 32.14 2jhb s PRO 4 CO -0.04 0.14 0.00 0.54 0.04 0.00 0.00 177.00 177.67 2jhb n ARG 5 N 0.49 3.76 -4.18 4.56 5.12 -1.26 -5.01 116.66 120.14 2jhb n ARG 5 Ca 0.02 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.83 2jhb n ARG 5 Cb 0.49 -0.40 -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 -0.22 0.22 0.36 1.55 -7.23 -1.26 -4.39 120.40 109.43 2jhb s VAL 6 Ca 0.00 -1.94 0.07 0.00 -1.81 0.00 0.00 61.98 58.31 2jhb s VAL 6 Cb 0.00 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 34.79 2jhb s VAL 6 CO 0.00 -0.40 0.33 0.68 -0.31 0.00 0.00 175.10 175.40 2jhb s VAL 7 N -3.97 3.34 -0.00 1.32 -7.23 0.82 -4.78 120.40 109.90 2jhb s VAL 7 Ca 0.26 -1.33 -0.24 0.00 -1.81 0.00 0.00 61.98 58.86 2jhb s VAL 7 Cb 0.07 -3.15 -0.15 0.00 0.56 0.00 0.00 36.38 33.71 2jhb s VAL 7 CO 0.04 -0.13 1.10 1.55 -0.31 0.00 0.00 175.10 177.35 2jhb h PRO 8 N 1.15 -0.53 -2.80 4.82 0.13 -2.00 -3.30 132.00 129.48 2jhb h PRO 8 Ca -0.44 0.04 -0.73 0.00 -0.87 0.00 0.00 66.00 63.99 2jhb h PRO 8 Cb 1.26 0.12 -0.11 0.00 0.13 0.00 0.00 31.00 32.40 2jhb h PRO 8 CO 0.57 -0.22 2.56 -3.47 -0.23 0.00 0.00 178.00 177.21 2jhb n ASP 9 N -5.18 7.70 -0.14 1.44 2.03 -1.26 -4.78 116.55 116.36 2jhb n ASP 9 Ca -0.10 -3.06 -0.03 0.00 0.52 0.00 0.00 54.79 52.12 2jhb n ASP 9 Cb 0.29 -1.40 0.04 0.00 -0.72 0.00 0.00 41.12 39.32 2jhb n ASP 9 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2jhb h GLN 10 N 4.82 0.11 0.00 -0.67 4.20 -1.87 -0.77 115.11 120.94 2jhb h GLN 10 Ca 0.68 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 59.35 2jhb h GLN 10 Cb 0.35 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2jhb h GLN 10 CO 1.54 0.08 -0.18 -0.09 -0.67 0.00 0.00 178.83 179.51 2jhb h ARG 11 N 0.12 0.00 0.07 1.46 9.65 -1.94 0.75 114.38 124.49 2jhb h ARG 11 Ca 0.22 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.97 2jhb h ARG 11 Cb 0.32 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.91 2jhb h ARG 11 CO -0.36 0.18 -0.55 1.03 2.80 0.00 0.00 179.97 183.07 2jhb h SER 12 N 0.00 0.36 -0.49 -3.80 0.87 -1.81 -3.34 113.55 105.35 2jhb h SER 12 Ca -0.00 -0.90 -0.03 0.00 -1.23 0.00 0.00 61.79 59.63 2jhb h SER 12 Cb 0.55 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.37 2jhb h SER 12 CO 0.02 1.23 0.22 0.50 -0.53 0.00 0.00 176.83 178.27 2jhb h LYS 13 N -0.45 0.76 -1.28 2.24 1.63 -0.48 0.91 116.57 119.90 2jhb h LYS 13 Ca -0.09 -0.11 0.39 0.00 -0.85 0.00 0.00 60.65 59.99 2jhb h LYS 13 Cb 1.37 -0.14 -0.10 0.00 -0.60 0.00 0.00 32.23 32.76 2jhb h LYS 13 CO 0.10 0.63 0.85 0.35 -3.45 0.00 0.00 179.45 177.93 2jhb h PHE 14 N 0.76 0.44 -0.00 1.91 3.57 -0.99 -1.01 116.94 121.61 2jhb h PHE 14 Ca 0.18 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.70 2jhb h PHE 14 Cb 0.14 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.77 2jhb h PHE 14 CO 0.01 -0.08 -0.17 0.39 -2.23 0.00 0.00 178.31 176.22 2jhb n GLU 15 N -4.53 5.24 -0.07 1.11 -0.58 -0.27 -4.69 120.64 116.84 2jhb n GLU 15 Ca 0.33 -0.06 -0.06 0.00 -0.42 0.00 0.00 57.16 56.95 2jhb n GLU 15 Cb 1.30 -0.72 -0.03 0.00 -0.57 0.00 0.00 31.44 31.43 2jhb n GLU 15 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 2jhb h ASN 16 N 0.07 0.00 -1.36 1.62 2.35 -0.18 -3.47 115.58 114.60 2jhb h ASN 16 Ca 0.00 -0.15 -0.78 0.00 -0.55 0.00 0.00 56.30 54.82 2jhb h ASN 16 Cb 0.10 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.49 2jhb h ASN 16 CO 0.00 0.79 0.71 -0.62 -1.65 0.00 0.00 177.43 176.66 2jhb n GLU 17 N -4.64 0.73 0.12 0.81 -0.58 -0.45 -4.81 120.64 111.82 2jhb n GLU 17 Ca -0.08 0.27 0.14 0.00 -0.42 0.00 0.00 57.16 57.06 2jhb n GLU 17 Cb 0.26 -1.88 0.65 0.00 -0.57 0.00 0.00 31.44 29.90 2jhb n GLU 17 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2jhb h GLU 18 N 5.87 0.02 -0.21 3.49 5.08 -1.92 -0.54 114.58 126.38 2jhb h GLU 18 Ca -0.46 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.91 2jhb h GLU 18 Cb 1.34 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 2jhb h GLU 18 CO 0.91 0.02 0.09 0.35 -1.00 0.00 0.00 179.01 179.38 2jhb h PHE 19 N 0.03 0.17 -0.44 4.33 3.04 -1.98 -0.07 116.94 122.02 2jhb h PHE 19 Ca 0.13 0.01 -0.12 0.00 3.98 0.00 0.00 57.97 61.97 2jhb h PHE 19 Cb 0.49 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.94 2jhb h PHE 19 CO -0.00 0.09 -0.19 0.74 -2.02 0.00 0.00 178.31 176.93 2jhb h PHE 20 N 0.20 0.97 -0.47 0.41 0.04 -1.48 -2.78 116.94 113.83 2jhb h PHE 20 Ca 0.09 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.64 2jhb h PHE 20 Cb 0.03 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 2jhb h PHE 20 CO -0.10 0.98 0.31 0.00 -0.60 0.00 0.00 178.31 178.90 2jhb h ARG 21 N 0.76 0.62 -0.41 1.51 2.47 -0.79 0.16 114.38 118.69 2jhb h ARG 21 Ca 0.11 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.77 2jhb h ARG 21 Cb 0.72 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.88 2jhb h ARG 21 CO 0.06 0.41 0.19 0.87 0.56 0.00 0.00 179.97 182.06 2jhb h LYS 22 N 0.64 0.60 0.00 0.04 1.57 -0.74 -2.86 116.57 115.82 2jhb h LYS 22 Ca 0.17 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 2jhb h LYS 22 Cb -0.07 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 2jhb h LYS 22 CO -0.04 0.54 -0.44 -0.07 -0.57 0.00 0.00 179.45 178.88 2jhb h LEU 23 N 0.53 0.00 0.00 2.94 3.38 -1.24 -3.42 115.31 117.50 2jhb h LEU 23 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2jhb h LEU 23 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2jhb h LEU 23 CO -0.02 0.44 0.00 -0.24 0.09 0.00 0.00 178.44 178.71 2jhb n SER 24 N -3.35 -4.48 -3.70 -0.43 2.88 0.50 -4.47 113.62 100.57 2jhb n SER 24 Ca 0.01 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.28 2jhb n SER 24 Cb 0.63 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.28 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 -1.33 -1.31 -1.45 -1.46 5.12 -1.26 -1.65 116.66 113.31 2jhb n ARG 25 Ca 0.00 -1.84 -0.45 0.00 -1.93 0.00 0.00 57.85 53.63 2jhb n ARG 25 Cb 0.00 -1.26 -0.10 0.00 -1.16 0.00 0.00 32.46 29.94 2jhb n ARG 25 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2jhb n GLU 26 N -3.63 0.44 -3.19 5.56 0.28 -1.26 -4.65 120.64 114.20 2jhb n GLU 26 Ca 0.15 0.06 -0.11 0.00 -0.16 0.00 0.00 57.16 57.11 2jhb n GLU 26 Cb 0.52 -2.09 -0.04 0.00 1.43 0.00 0.00 31.44 31.26 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 -2.73 4.46 0.16 0.00 2.56 -1.26 -0.40 118.70 121.48 2jhb s GLU 28 Ca 0.19 1.20 0.02 0.00 0.00 0.00 0.00 54.97 56.39 2jhb s GLU 28 Cb 0.01 -2.71 -0.05 0.00 2.00 0.00 0.00 34.13 33.39 2jhb s GLU 28 CO 0.14 0.25 -0.02 0.96 -0.56 0.00 0.00 175.26 176.02 2jhb s ILE 29 N -1.70 0.74 -0.01 -3.70 -4.36 0.54 -1.05 121.20 111.66 2jhb s ILE 29 Ca 0.51 -1.98 -0.03 0.00 -0.26 0.00 0.00 60.65 58.89 2jhb s ILE 29 Cb -0.17 -2.02 0.00 0.00 1.25 0.00 0.00 42.46 41.53 2jhb s ILE 29 CO 0.21 -0.57 0.07 -0.54 0.24 0.00 0.00 174.94 174.35 2jhb s LYS 30 N -3.88 0.21 0.58 0.37 1.02 -0.26 -1.46 119.74 116.31 2jhb s LYS 30 Ca 0.21 -0.12 -0.19 0.00 0.02 0.00 0.00 55.97 55.89 2jhb s LYS 30 Cb 0.06 0.09 -0.04 0.00 -0.52 0.00 0.00 37.83 37.41 2jhb s LYS 30 CO 0.02 -0.04 1.19 -0.47 -0.92 0.00 0.00 175.35 175.14 2jhb s TYR 31 N -0.51 2.45 -0.39 3.18 6.14 -0.06 0.18 117.35 128.35 2jhb s TYR 31 Ca -0.06 1.52 0.02 0.00 0.64 0.00 0.00 57.07 59.20 2jhb s TYR 31 Cb -0.04 -3.45 0.16 0.00 0.42 0.00 0.00 41.96 39.05 2jhb s TYR 31 CO 0.00 -2.09 0.29 -0.08 0.64 0.00 0.00 175.55 174.31 2jhb s THR 32 N -1.62 0.24 0.00 4.34 -1.32 -0.63 -4.75 115.64 111.91 2jhb s THR 32 Ca 0.76 -2.25 0.00 0.00 -1.21 0.00 0.00 61.69 58.99 2jhb s THR 32 Cb -0.29 -1.19 0.00 0.00 -1.51 0.00 0.00 72.50 69.51 2jhb s THR 32 CO 0.32 -1.13 0.00 0.61 -2.21 0.00 0.00 174.62 172.20 2jhb n GLY 33 N 3.34 3.56 0.38 6.08 0.00 -1.26 -4.47 105.19 112.83 2jhb n GLY 33 Ca 0.22 -0.16 0.20 0.00 0.00 0.00 0.00 46.02 46.29 2jhb n GLY 33 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2jhb h PHE 34 N 0.00 0.00 0.00 1.61 3.04 -1.97 -1.43 116.94 118.19 2jhb h PHE 34 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2jhb h PHE 34 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 2jhb h PHE 34 CO 0.00 0.00 0.06 2.89 -2.02 0.00 0.00 178.31 179.24 2jhb n ARG 35 N -3.75 0.00 0.13 1.11 -4.01 -1.26 -1.51 116.66 107.37 2jhb n ARG 35 Ca 0.06 0.42 0.07 0.00 -1.04 0.00 0.00 57.85 57.36 2jhb n ARG 35 Cb 0.56 -1.56 0.40 0.00 -3.04 0.00 0.00 32.46 28.83 2jhb n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 2jhb n ASP 36 N -1.41 0.38 -4.21 2.89 5.75 -0.54 -4.67 116.55 114.74 2jhb n ASP 36 Ca 0.00 0.63 -0.35 0.00 -0.01 0.00 0.00 54.79 55.07 2jhb n ASP 36 Cb 0.06 -0.66 0.11 0.00 -1.03 0.00 0.00 41.12 39.60 2jhb n ASP 36 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2jhb n ARG 37 N -2.02 -0.64 -1.34 0.11 1.74 -0.57 -4.98 116.66 108.95 2jhb n ARG 37 Ca -0.01 -0.17 -0.37 0.00 -0.77 0.00 0.00 57.85 56.53 2jhb n ARG 37 Cb 0.12 -1.47 0.06 0.00 -1.02 0.00 0.00 32.46 30.15 2jhb n ARG 37 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2jhb n PRO 38 N -0.22 0.39 -1.71 5.56 -0.02 -1.26 -4.98 135.00 132.75 2jhb n PRO 38 Ca 0.01 0.17 -0.31 0.00 -2.02 0.00 0.00 63.50 61.35 2jhb n PRO 38 Cb 0.62 -1.80 0.04 0.00 -0.02 0.00 0.00 33.50 32.33 2jhb n PRO 38 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2jhb s HIS 39 N -1.83 3.14 0.00 6.00 3.76 -1.26 -4.35 115.29 120.74 2jhb s HIS 39 Ca 0.67 1.43 0.00 0.00 -0.15 0.00 0.00 55.06 57.01 2jhb s HIS 39 Cb -0.38 -2.89 0.00 0.00 1.11 0.00 0.00 32.58 30.42 2jhb s HIS 39 CO 0.56 -1.14 0.00 -1.91 -0.85 0.00 0.00 174.74 171.40 2jhb n GLU 40 N -2.83 0.00 -0.03 1.40 2.13 -1.26 -4.92 120.64 115.13 2jhb n GLU 40 Ca 0.08 0.00 0.10 0.00 0.66 0.00 0.00 57.16 58.00 2jhb n GLU 40 Cb 0.53 0.00 0.50 0.00 0.27 0.00 0.00 31.44 32.74 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 0.00 1.33 -0.08 5.31 2.13 -1.26 -4.20 120.64 123.87 2jhb n GLU 41 Ca 0.00 -0.49 -0.11 0.00 0.66 0.00 0.00 57.16 57.22 2jhb n GLU 41 Cb 0.00 -1.35 -0.15 0.00 0.27 0.00 0.00 31.44 30.21 2jhb n GLU 41 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 2jhb n ARG 42 N -0.30 0.67 -0.15 5.31 0.00 -1.26 -4.51 116.66 116.42 2jhb n ARG 42 Ca 0.16 0.10 -0.04 0.00 -0.00 0.00 0.00 57.85 58.06 2jhb n ARG 42 Cb 0.19 -1.60 0.05 0.00 -0.00 0.00 0.00 32.46 31.10 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 0.38 0.13 2.89 4.15 -1.89 -0.25 115.11 120.52 2jhb h GLN 43 Ca -0.48 -0.02 -0.33 0.00 0.77 0.00 0.00 58.65 58.59 2jhb h GLN 43 Cb 2.15 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 29.75 2jhb h GLN 43 CO 0.04 0.25 -1.72 1.15 -1.93 0.00 0.00 178.83 176.62 2jhb h THR 44 N 0.39 0.94 -0.79 2.39 2.02 -1.92 -3.28 112.91 112.66 2jhb h THR 44 Ca 0.22 -2.60 0.09 0.00 0.77 0.00 0.00 66.41 64.89 2jhb h THR 44 Cb 0.19 2.67 -0.05 0.00 -1.74 0.00 0.00 68.15 69.22 2jhb h THR 44 CO -0.20 0.82 0.51 -0.09 0.37 0.00 0.00 175.52 176.93 2jhb h ARG 45 N 0.07 0.73 -0.12 6.66 9.65 -1.74 -2.08 114.38 127.55 2jhb h ARG 45 Ca -0.32 -0.04 0.05 0.00 -1.10 0.00 0.00 59.98 58.56 2jhb h ARG 45 Cb 2.05 -0.17 -0.06 0.00 -1.39 0.00 0.00 29.97 30.40 2jhb h ARG 45 CO 0.14 0.49 -0.25 0.35 2.80 0.00 0.00 179.97 183.50 2jhb h PHE 46 N 0.76 -0.66 0.00 2.20 3.57 -1.10 0.54 116.94 122.25 2jhb h PHE 46 Ca 0.36 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.84 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 -0.00 -0.33 -0.21 1.96 -2.23 0.00 0.00 178.31 177.50 2jhb h GLN 47 N -0.32 0.00 -0.02 1.11 4.20 -1.54 -0.51 115.11 118.03 2jhb h GLN 47 Ca 0.10 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.56 2jhb h GLN 47 Cb 0.46 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.25 2jhb h GLN 47 CO -0.30 0.21 -0.97 -0.91 -0.67 0.00 0.00 178.83 176.19 2jhb h ASN 48 N 0.00 0.77 -0.21 1.46 2.35 -0.39 -2.91 115.58 116.65 2jhb h ASN 48 Ca -0.00 -0.60 -0.09 0.00 -0.55 0.00 0.00 56.30 55.06 2jhb h ASN 48 Cb 0.45 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 2jhb h ASN 48 CO 0.03 1.40 -0.16 0.00 -1.65 0.00 0.00 177.43 177.05 2jhb h ALA 49 N 0.56 1.08 -0.14 -0.83 0.00 0.42 0.17 119.26 120.52 2jhb h ALA 49 Ca -0.10 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.53 2jhb h ALA 49 Cb 1.61 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 2jhb h ALA 49 CO 0.18 0.56 0.10 0.00 0.00 0.00 0.00 179.25 180.09 2jhb n ARG 51 N -4.50 0.63 0.16 0.00 0.63 -0.15 -3.84 116.66 109.58 2jhb n ARG 51 Ca 0.00 0.20 0.19 0.00 -0.92 0.00 0.00 57.85 57.32 2jhb n ARG 51 Cb 0.20 -1.77 0.79 0.00 0.45 0.00 0.00 32.46 32.13 2jhb n ARG 51 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2jhb h ASP 52 N 0.00 0.00 0.00 6.15 1.82 -0.53 -1.39 116.42 122.48 2jhb h ASP 52 Ca -0.21 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.43 2jhb h ASP 52 Cb 1.70 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.71 2jhb h ASP 52 CO 0.05 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.29 2jhb n GLY 53 N -1.43 0.54 3.50 -0.78 0.00 -1.22 -1.85 105.19 103.96 2jhb n GLY 53 Ca 0.04 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.12 -0.49 1.61 -4.01 -1.26 -4.24 116.66 108.15 2jhb n ARG 54 Ca 0.00 0.02 0.00 0.00 -1.04 0.00 0.00 57.85 56.83 2jhb n ARG 54 Cb 0.00 -2.01 0.00 0.00 -3.04 0.00 0.00 32.46 27.41 2jhb n ARG 54 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2jhb n SER 55 N -1.82 0.00 -3.65 2.89 2.88 0.41 -4.90 113.62 109.43 2jhb n SER 55 Ca 0.09 -0.29 -0.20 0.00 -1.33 0.00 0.00 58.87 57.14 2jhb n SER 55 Cb 0.52 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.81 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 0.12 -0.02 0.00 -1.46 2.12 -1.26 -0.56 118.70 117.65 2jhb s GLU 56 Ca 0.00 0.36 0.02 0.00 0.36 0.00 0.00 54.97 55.71 2jhb s GLU 56 Cb 0.00 -0.66 -0.01 0.00 0.26 0.00 0.00 34.13 33.73 2jhb s GLU 56 CO 0.00 -0.38 -0.05 0.42 -0.54 0.00 0.00 175.26 174.70 2jhb s ILE 57 N 2.21 0.42 0.39 -3.70 1.01 -0.07 -1.60 121.20 119.87 2jhb s ILE 57 Ca 0.04 -0.33 0.08 0.00 0.00 0.00 0.00 60.65 60.44 2jhb s ILE 57 Cb -0.13 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 2jhb s ILE 57 CO -0.05 0.05 0.20 0.00 0.00 0.00 0.00 174.94 175.14 2jhb s ALA 58 N -0.28 3.63 -0.21 9.38 0.00 0.13 -1.21 121.76 133.19 2jhb s ALA 58 Ca 0.00 -2.00 -0.08 0.00 0.00 0.00 0.00 51.96 49.88 2jhb s ALA 58 Cb -0.03 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 2jhb s ALA 58 CO -0.00 -0.12 0.09 -0.06 0.00 0.00 0.00 175.76 175.67 2jhb s PHE 59 N -2.54 3.24 0.17 0.00 0.40 -0.79 -1.11 117.98 117.36 2jhb s PHE 59 Ca 0.41 0.03 -0.04 0.00 -0.60 0.00 0.00 56.93 56.74 2jhb s PHE 59 Cb 0.01 -2.17 0.04 0.00 0.51 0.00 0.00 43.02 41.41 2jhb s PHE 59 CO 0.23 0.03 1.43 0.28 0.70 0.00 0.00 175.22 177.90 2jhb h VAL 60 N 5.04 1.34 -0.63 -0.44 2.07 -1.33 0.14 116.25 122.44 2jhb h VAL 60 Ca -0.37 -2.01 0.12 0.00 0.82 0.00 0.00 66.70 65.26 2jhb h VAL 60 Cb 1.17 1.99 -0.12 0.00 -1.52 0.00 0.00 31.29 32.81 2jhb h VAL 60 CO 0.66 0.62 -0.25 0.00 0.02 0.00 0.00 177.57 178.62 2jhb h ALA 61 N 0.88 0.22 0.00 1.67 0.00 -1.66 -3.35 119.26 117.02 2jhb h ALA 61 Ca -0.02 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2jhb h ALA 61 Cb 1.26 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2jhb h ALA 61 CO 0.12 -0.54 -0.03 2.41 0.00 0.00 0.00 179.25 181.21 2jhb n THR 62 N -5.45 0.00 -2.24 0.00 -1.04 -1.24 -5.04 114.28 99.27 2jhb n THR 62 Ca 0.06 -0.14 -0.02 0.00 -2.04 0.00 0.00 64.05 61.91 2jhb n THR 62 Cb 0.35 0.91 0.01 0.00 -1.82 0.00 0.00 70.33 69.79 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 0.37 0.38 2.94 3.41 0.00 0.50 -5.02 105.19 107.78 2jhb n GLY 63 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.05 2.17 -0.56 2.61 2.01 -1.21 -4.88 115.64 112.73 2jhb s THR 64 Ca 0.01 -2.59 -0.28 0.00 0.31 0.00 0.00 61.69 59.14 2jhb s THR 64 Cb -0.00 -2.57 0.01 0.00 0.01 0.00 0.00 72.50 69.95 2jhb s THR 64 CO 0.10 -0.70 1.41 0.54 -0.69 0.00 0.00 174.62 175.28 2jhb s ASN 65 N 0.54 6.13 0.25 3.53 4.22 -1.26 -1.88 114.94 126.46 2jhb s ASN 65 Ca 0.13 0.28 0.12 0.00 -2.14 0.00 0.00 52.86 51.24 2jhb s ASN 65 Cb -0.22 -2.55 -0.05 0.00 1.28 0.00 0.00 41.25 39.72 2jhb s ASN 65 CO -0.06 -1.71 -0.20 -1.48 -2.04 0.00 0.00 177.10 171.60 2jhb s LEU 66 N 6.06 2.57 -0.41 3.54 -0.00 -0.35 -4.93 118.68 125.17 2jhb s LEU 66 Ca 0.52 -0.94 -0.25 0.00 -0.00 0.00 0.00 54.13 53.46 2jhb s LEU 66 Cb -0.11 -1.17 0.02 0.00 -0.00 0.00 0.00 46.19 44.93 2jhb s LEU 66 CO 0.25 0.07 0.87 -0.44 -0.00 0.00 0.00 176.35 177.09 2jhb s SER 67 N -3.20 6.55 0.42 1.48 0.01 -1.26 -0.89 113.70 116.82 2jhb s SER 67 Ca 0.27 0.29 -0.23 0.00 1.31 0.00 0.00 55.95 57.58 2jhb s SER 67 Cb -0.06 -2.43 -0.08 0.00 0.21 0.00 0.00 66.02 63.65 2jhb s SER 67 CO 0.13 -0.89 1.08 -0.76 0.41 0.00 0.00 173.24 173.22 2jhb s LEU 68 N 3.43 4.08 -0.48 2.44 1.43 0.28 -4.90 118.68 124.96 2jhb s LEU 68 Ca 0.35 2.11 0.03 0.00 -1.03 0.00 0.00 54.13 55.59 2jhb s LEU 68 Cb -0.12 -4.23 0.13 0.00 0.03 0.00 0.00 46.19 42.00 2jhb s LEU 68 CO 0.21 -0.64 0.25 -1.10 0.23 0.00 0.00 176.35 175.30 2jhb s GLN 69 N -2.62 1.58 -0.89 1.70 -0.21 -1.26 -0.45 119.66 117.52 2jhb s GLN 69 Ca 0.60 -2.28 -0.08 0.00 0.02 0.00 0.00 55.36 53.63 2jhb s GLN 69 Cb -0.23 -2.74 -0.13 0.00 1.00 0.00 0.00 33.01 30.90 2jhb s GLN 69 CO 0.29 -1.15 3.17 1.19 -2.12 0.00 0.00 175.29 176.68 2jhb n PHE 70 N 3.33 1.43 -3.92 0.91 3.01 -1.26 -3.91 117.46 117.05 2jhb n PHE 70 Ca 0.08 -2.37 -0.30 0.00 1.01 0.00 0.00 57.45 55.86 2jhb n PHE 70 Cb 0.34 -2.02 -0.14 0.00 -0.01 0.00 0.00 39.48 37.64 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 1.19 3.06 0.94 1.38 0.08 -1.26 -4.64 117.98 118.72 2jhb s PHE 71 Ca 0.67 -2.83 -0.12 0.00 0.12 0.00 0.00 56.93 54.77 2jhb s PHE 71 Cb 0.25 -2.59 0.15 0.00 -0.57 0.00 0.00 43.02 40.26 2jhb s PHE 71 CO -0.05 -0.85 1.09 -1.25 -0.10 0.00 0.00 175.22 174.06 2jhb s PRO 72 N 0.50 0.89 0.00 0.24 0.04 -1.26 -4.82 135.00 130.59 2jhb s PRO 72 Ca 0.14 0.89 0.08 0.00 0.04 0.00 0.00 61.00 62.15 2jhb s PRO 72 Cb -0.22 -1.76 0.43 0.00 0.04 0.00 0.00 34.50 32.99 2jhb s PRO 72 CO -0.06 -2.51 1.08 0.00 0.04 0.00 0.00 177.00 175.55 2jhb n ALA 73 N -4.08 1.62 -3.96 8.56 0.00 -1.26 -3.22 120.51 118.16 2jhb n ALA 73 Ca 0.07 -0.04 -0.31 0.00 0.00 0.00 0.00 53.44 53.16 2jhb n ALA 73 Cb 0.55 -1.13 -0.15 0.00 0.00 0.00 0.00 19.45 18.72 2jhb n ALA 73 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jhb s SER 74 N -2.43 4.51 0.29 0.00 0.15 -1.26 -5.10 113.70 109.85 2jhb s SER 74 Ca 0.09 -2.45 0.03 0.00 0.70 0.00 0.00 55.95 54.32 2jhb s SER 74 Cb 0.05 -1.56 -0.06 0.00 -1.71 0.00 0.00 66.02 62.75 2jhb s SER 74 CO 0.12 -0.33 0.06 -1.66 1.20 0.00 0.00 173.24 172.63 2jhb s TRP 75 N 0.50 1.75 0.00 3.44 1.48 -1.20 -5.09 118.94 119.83 2jhb s TRP 75 Ca 0.13 -1.03 0.00 0.00 -1.06 0.00 0.00 56.10 54.14 2jhb s TRP 75 Cb -0.22 -1.08 0.00 0.00 -1.16 0.00 0.00 33.47 31.01 2jhb s TRP 75 CO -0.06 -0.12 0.00 0.00 -4.06 0.00 0.00 176.95 172.71 2jhb n GLN 76 N -0.56 0.74 -2.88 3.25 -0.00 -1.26 -5.08 117.38 111.58 2jhb n GLN 76 Ca -0.02 0.00 -0.17 0.00 -0.00 0.00 0.00 57.00 56.81 2jhb n GLN 76 Cb 0.66 -0.06 0.03 0.00 -0.00 0.00 0.00 30.24 30.87 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 0.00 -0.23 0.00 2.61 0.00 -1.26 -4.87 105.19 101.44 2jhb n GLY 77 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.32 3.73 0.00 1.61 2.13 -1.26 -5.04 120.64 118.49 2jhb n GLU 78 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 2jhb n GLU 78 Cb 0.59 -0.56 0.00 0.00 0.27 0.00 0.00 31.44 31.74 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 -0.87 0.00 -1.65 5.31 7.27 -0.77 -4.91 117.38 121.76 2jhb n GLN 79 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 57.00 56.61 2jhb n GLN 79 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 2jhb n GLN 79 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 2jhb n ARG 80 N 0.00 1.87 -0.02 3.69 0.00 -0.52 -4.93 116.66 116.75 2jhb n ARG 80 Ca 0.00 0.67 -0.01 0.00 -0.00 0.00 0.00 57.85 58.51 2jhb n ARG 80 Cb 0.00 -2.34 -0.00 0.00 0.00 0.00 0.00 32.46 30.11 2jhb n ARG 80 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 2jhb h GLN 81 N 4.70 0.00 -3.22 -0.14 4.20 -1.99 -3.42 115.11 115.24 2jhb h GLN 81 Ca -0.45 0.00 -0.64 0.00 0.06 0.00 0.00 58.65 57.61 2jhb h GLN 81 Cb 1.28 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.66 2jhb h GLN 81 CO 0.79 0.00 -0.48 0.99 -0.67 0.00 0.00 178.83 179.47 2jhb s THR 82 N -1.34 3.17 1.47 -0.54 2.01 -1.26 -5.08 115.64 114.06 2jhb s THR 82 Ca -0.03 -3.94 -0.24 0.00 0.31 0.00 0.00 61.69 57.79 2jhb s THR 82 Cb 0.00 -3.07 0.38 0.00 0.01 0.00 0.00 72.50 69.82 2jhb s THR 82 CO 0.05 -0.97 0.90 -2.16 -0.69 0.00 0.00 174.62 171.74 2jhb s PRO 83 N -1.14 -3.29 0.80 4.92 0.04 -1.26 -5.02 135.00 130.06 2jhb s PRO 83 Ca 0.23 0.15 -0.11 0.00 0.04 0.00 0.00 61.00 61.31 2jhb s PRO 83 Cb -0.10 -1.33 0.07 0.00 0.04 0.00 0.00 34.50 33.18 2jhb s PRO 83 CO -0.12 -5.11 1.09 -1.12 0.04 0.00 0.00 177.00 171.78 2jhb s SER 84 N -3.05 4.38 0.04 6.66 0.01 -1.26 -4.80 113.70 115.68 2jhb s SER 84 Ca 0.68 1.43 -0.23 0.00 1.31 0.00 0.00 55.95 59.14 2jhb s SER 84 Cb -0.13 -2.17 -0.16 0.00 0.21 0.00 0.00 66.02 63.77 2jhb s SER 84 CO 0.58 -2.06 1.49 -0.09 0.41 0.00 0.00 173.24 173.57 2jhb h ARG 85 N -1.15 0.08 0.00 12.44 2.43 -1.92 -0.98 114.38 125.29 2jhb h ARG 85 Ca -0.47 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 58.64 2jhb h ARG 85 Cb 1.26 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 2jhb h ARG 85 CO 0.57 0.33 -0.19 1.49 -1.51 0.00 0.00 179.97 180.66 2jhb h GLU 86 N -0.18 0.00 0.21 0.20 4.57 -1.93 -3.27 114.58 114.19 2jhb h GLU 86 Ca 0.01 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2jhb h GLU 86 Cb 0.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 2jhb h GLU 86 CO 0.00 0.19 -0.10 1.88 -1.18 0.00 0.00 179.01 179.79 2jhb h TYR 87 N 0.00 -0.27 -3.40 0.92 -1.99 -1.66 -3.16 116.97 107.41 2jhb h TYR 87 Ca -0.00 -0.01 -0.19 0.00 2.00 0.00 0.00 58.73 60.54 2jhb h TYR 87 Cb 0.92 0.09 -0.26 0.00 2.00 0.00 0.00 36.73 39.48 2jhb h TYR 87 CO 0.00 -0.17 -0.54 0.08 -0.00 0.00 0.00 178.16 177.53 2jhb s VAL 88 N -2.98 0.01 -0.79 -2.88 1.01 -0.41 -2.34 120.40 112.01 2jhb s VAL 88 Ca -0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 2jhb s VAL 88 Cb 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 36.10 2jhb s VAL 88 CO 0.13 -0.04 0.70 -0.67 0.00 0.00 0.00 175.10 175.21 2jhb n ASP 89 N 2.83 -5.79 -1.61 3.32 2.03 -1.26 -4.46 116.55 111.60 2jhb n ASP 89 Ca -0.14 -0.49 -0.01 0.00 0.52 0.00 0.00 54.79 54.68 2jhb n ASP 89 Cb 0.59 -4.23 -0.01 0.00 -0.72 0.00 0.00 41.12 36.74 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 -2.68 4.49 0.00 -2.67 -0.00 -1.23 -4.79 117.00 110.12 2jhb n LEU 90 Ca -0.05 -2.07 0.00 0.00 -0.00 0.00 0.00 56.01 53.89 2jhb n LEU 90 Cb 0.58 -0.97 0.00 0.00 -0.00 0.00 0.00 43.42 43.04 2jhb n LEU 90 CO 0.46 0.88 0.00 1.21 -0.00 0.00 0.00 177.39 179.94 2jhb n GLU 91 N 1.64 0.00 0.00 1.47 2.13 -1.26 -4.36 120.64 120.26 2jhb n GLU 91 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 2jhb n GLU 91 Cb 0.44 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.15 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 0.00 0.00 -1.67 5.31 3.00 -1.26 -5.14 116.66 116.90 2jhb n ARG 92 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.56 2jhb n ARG 92 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 32.46 32.67 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 0.00 -1.67 -2.37 -0.14 0.00 -0.58 -4.98 120.64 110.89 2jhb n GLU 93 Ca 0.00 -1.94 -0.40 0.00 0.00 0.00 0.00 57.16 54.83 2jhb n GLU 93 Cb 0.00 -1.39 -0.03 0.00 0.00 0.00 0.00 31.44 30.02 2jhb n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jhb s ALA 94 N -3.76 2.52 0.00 4.31 0.00 -1.26 -3.96 121.76 119.61 2jhb s ALA 94 Ca 0.73 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2jhb s ALA 94 Cb -0.03 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 18.78 2jhb s ALA 94 CO 0.52 -3.58 0.00 0.41 0.00 0.00 0.00 175.76 173.11 2jhb n GLY 95 N 5.69 0.65 3.43 0.00 0.00 -1.26 -4.95 105.19 108.74 2jhb n GLY 95 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.41 1.85 0.11 1.61 -2.85 -1.25 -0.85 119.74 117.94 2jhb s LYS 96 Ca 0.00 -2.11 0.04 0.00 -1.00 0.00 0.00 55.97 52.90 2jhb s LYS 96 Cb 0.00 -0.26 -0.04 0.00 -2.06 0.00 0.00 37.83 35.47 2jhb s LYS 96 CO 0.00 -0.54 -0.10 0.54 0.10 0.00 0.00 175.35 175.35 2jhb s VAL 97 N -3.32 1.02 0.09 1.79 0.11 0.19 -1.52 120.40 118.76 2jhb s VAL 97 Ca 0.30 -1.76 -0.06 0.00 -2.93 0.00 0.00 61.98 57.53 2jhb s VAL 97 Cb 0.03 -1.51 -0.05 0.00 -1.53 0.00 0.00 36.38 33.32 2jhb s VAL 97 CO 0.19 -0.60 0.34 -0.31 -3.33 0.00 0.00 175.10 171.39 2jhb s TYR 98 N -2.67 3.53 0.03 1.54 1.51 -1.26 -0.75 117.35 119.27 2jhb s TYR 98 Ca 0.09 0.59 0.00 0.00 -1.01 0.00 0.00 57.07 56.74 2jhb s TYR 98 Cb -0.01 -2.02 -0.02 0.00 -0.11 0.00 0.00 41.96 39.79 2jhb s TYR 98 CO 0.00 0.51 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.40 2jhb s LEU 99 N -2.25 2.28 -0.28 -1.29 1.43 -0.17 -4.62 118.68 113.77 2jhb s LEU 99 Ca 0.35 -0.57 -0.19 0.00 -1.03 0.00 0.00 54.13 52.69 2jhb s LEU 99 Cb -0.13 0.08 0.11 0.00 0.03 0.00 0.00 46.19 46.28 2jhb s LEU 99 CO 0.21 -0.33 0.88 -0.75 0.23 0.00 0.00 176.35 176.60 2jhb s LYS 100 N -1.81 0.55 -0.13 1.70 2.20 -0.99 -1.32 119.74 119.94 2jhb s LYS 100 Ca -0.12 0.84 -0.06 0.00 -0.36 0.00 0.00 55.97 56.27 2jhb s LYS 100 Cb -0.08 0.17 0.06 0.00 -1.51 0.00 0.00 37.83 36.48 2jhb s LYS 100 CO -0.02 -0.10 0.29 0.00 -0.36 0.00 0.00 175.35 175.17 2jhb s ALA 101 N 1.04 -0.69 0.04 3.13 0.00 -0.17 -4.42 121.76 120.68 2jhb s ALA 101 Ca -0.05 1.11 -0.30 0.00 0.00 0.00 0.00 51.96 52.71 2jhb s ALA 101 Cb -0.04 -0.86 -0.07 0.00 0.00 0.00 0.00 23.12 22.15 2jhb s ALA 101 CO -0.12 -0.40 1.45 -1.25 0.00 0.00 0.00 175.76 175.44 2jhb s PRO 102 N 1.76 4.27 0.40 0.00 0.04 -1.25 -0.85 135.00 139.38 2jhb s PRO 102 Ca -0.05 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.07 2jhb s PRO 102 Cb -0.11 -3.51 -0.00 0.00 0.04 0.00 0.00 34.50 30.92 2jhb s PRO 102 CO -0.10 -0.57 0.59 -1.64 0.04 0.00 0.00 177.00 175.32 2jhb s MET 103 N 2.16 3.07 -0.49 4.56 -1.94 0.26 -4.51 119.30 122.41 2jhb s MET 103 Ca 0.66 -0.71 0.04 0.00 -1.71 0.00 0.00 55.69 53.96 2jhb s MET 103 Cb -0.34 -2.67 0.16 0.00 2.01 0.00 0.00 34.83 33.99 2jhb s MET 103 CO 0.28 -0.14 0.35 0.42 -0.01 0.00 0.00 175.02 175.93 2jhb s ILE 104 N -2.40 1.16 -0.15 2.53 1.01 -1.25 -3.40 121.20 118.70 2jhb s ILE 104 Ca 0.47 -2.99 -0.07 0.00 0.00 0.00 0.00 60.65 58.06 2jhb s ILE 104 Cb -0.10 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 2jhb s ILE 104 CO 0.35 -1.10 0.11 -0.76 0.00 0.00 0.00 174.94 173.53 2jhb s LEU 105 N -0.21 4.16 0.00 2.97 2.01 -1.12 -4.53 118.68 121.95 2jhb s LEU 105 Ca 0.27 0.30 0.00 0.00 0.01 0.00 0.00 54.13 54.72 2jhb s LEU 105 Cb -0.05 -2.03 0.00 0.00 0.01 0.00 0.00 46.19 44.12 2jhb s LEU 105 CO -0.14 0.30 0.00 -3.20 1.01 0.00 0.00 176.35 174.32 2jhb n ASN 106 N 2.68 0.00 0.00 2.29 2.85 -1.26 -0.51 115.26 121.31 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 0.54 -0.23 0.00 0.00 1.24 0.00 0.00 39.78 41.33 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 -1.23 1.05 2.85 8.20 0.00 -1.26 -4.59 105.19 110.21 2jhb n GLY 107 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 0.76 -1.22 1.61 1.01 0.34 -0.13 120.40 120.77 2jhb s VAL 108 Ca 0.00 -0.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.61 2jhb s VAL 108 Cb 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 2jhb s VAL 108 CO 0.00 0.29 1.87 0.00 0.00 0.00 0.00 175.10 177.26 2jhb s VAL 110 N 7.92 4.67 -0.19 0.00 -7.23 -1.22 -0.99 120.40 123.36 2jhb s VAL 110 Ca 0.62 0.89 -0.16 0.00 -1.81 0.00 0.00 61.98 61.52 2jhb s VAL 110 Cb 0.02 -3.71 -0.04 0.00 0.56 0.00 0.00 36.38 33.22 2jhb s VAL 110 CO 0.11 -0.53 0.40 -0.63 -0.31 0.00 0.00 175.10 174.14 2jhb s ILE 111 N -2.41 5.20 -0.07 -0.62 1.01 0.24 -0.57 121.20 123.98 2jhb s ILE 111 Ca 0.55 0.73 -0.22 0.00 0.00 0.00 0.00 60.65 61.70 2jhb s ILE 111 Cb -0.10 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 2jhb s ILE 111 CO 0.29 0.26 0.66 0.86 0.00 0.00 0.00 174.94 177.00 2jhb s TRP 112 N 1.24 3.57 0.03 3.97 -0.00 -0.03 -0.24 118.94 127.48 2jhb s TRP 112 Ca 0.20 1.18 0.00 0.00 -0.00 0.00 0.00 56.10 57.48 2jhb s TRP 112 Cb -0.15 -2.75 -0.02 0.00 -0.00 0.00 0.00 33.47 30.55 2jhb s TRP 112 CO 0.08 0.12 -0.04 -1.59 -0.00 0.00 0.00 176.95 175.52 2jhb s LYS 113 N 0.70 0.38 -0.00 5.86 -2.85 0.01 -1.00 119.74 122.83 2jhb s LYS 113 Ca 0.35 -0.70 -0.03 0.00 -1.00 0.00 0.00 55.97 54.60 2jhb s LYS 113 Cb -0.17 0.05 0.01 0.00 -2.06 0.00 0.00 37.83 35.66 2jhb s LYS 113 CO 0.17 -0.04 0.12 0.41 0.10 0.00 0.00 175.35 176.11 2jhb n GLY 114 N 1.43 0.55 2.96 0.59 0.00 -0.44 -0.70 105.19 109.57 2jhb n GLY 114 Ca -0.23 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.77 1.40 -0.38 1.61 -2.14 0.84 -1.00 118.94 116.51 2jhb s TRP 115 Ca 0.03 -0.60 -0.16 0.00 2.66 0.00 0.00 56.10 58.03 2jhb s TRP 115 Cb -0.00 -1.11 0.00 0.00 -3.10 0.00 0.00 33.47 29.27 2jhb s TRP 115 CO -0.00 -0.38 0.42 0.42 -2.66 0.00 0.00 176.95 174.75 2jhb s ILE 116 N 1.18 5.11 0.30 0.66 -1.09 0.07 -0.71 121.20 126.72 2jhb s ILE 116 Ca -0.05 -0.07 -0.30 0.00 -2.23 0.00 0.00 60.65 58.00 2jhb s ILE 116 Cb -0.14 -3.93 -0.11 0.00 -1.58 0.00 0.00 42.46 36.69 2jhb s ILE 116 CO -0.02 -0.25 1.55 -0.62 -1.23 0.00 0.00 174.94 174.38 2jhb s ASP 117 N 1.77 6.40 0.00 3.58 -1.08 -0.14 -0.64 116.67 126.56 2jhb s ASP 117 Ca 0.13 2.94 0.18 0.00 -0.52 0.00 0.00 52.55 55.28 2jhb s ASP 117 Cb -0.17 -2.64 0.86 0.00 -1.46 0.00 0.00 42.92 39.52 2jhb s ASP 117 CO 0.13 -0.88 1.55 0.18 0.52 0.00 0.00 175.17 176.66 2jhb n LEU 118 N 1.85 0.00 -0.16 -1.34 4.77 -0.03 -2.27 117.00 119.82 2jhb n LEU 118 Ca 0.07 0.34 -0.09 0.00 -0.03 0.00 0.00 56.01 56.30 2jhb n LEU 118 Cb 0.38 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2jhb n LEU 118 CO 0.63 -0.14 0.93 1.12 -1.33 0.00 0.00 177.39 178.60 2jhb h HIS 119 N 0.00 0.71 0.00 -1.77 2.07 -1.89 -3.38 115.15 110.90 2jhb h HIS 119 Ca 0.00 -0.06 0.00 0.00 -2.85 0.00 0.00 60.37 57.46 2jhb h HIS 119 Cb 0.20 -0.21 0.00 0.00 2.57 0.00 0.00 27.41 29.97 2jhb h HIS 119 CO 0.00 0.62 0.00 -2.13 -3.07 0.00 0.00 177.93 173.35 2jhb n ARG 120 N -4.58 0.00 -2.97 5.12 0.63 -1.25 -4.99 116.66 108.62 2jhb n ARG 120 Ca 0.01 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.81 2jhb n ARG 120 Cb 0.16 -0.27 0.04 0.00 0.45 0.00 0.00 32.46 32.84 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 0.00 -2.58 -5.02 6.15 7.99 -0.96 -4.92 117.00 117.67 2jhb n LEU 121 Ca 0.00 -0.25 -0.20 0.00 -0.01 0.00 0.00 56.01 55.55 2jhb n LEU 121 Cb 0.17 -1.93 0.04 0.00 -0.11 0.00 0.00 43.42 41.60 2jhb n LEU 121 CO 0.00 0.29 0.28 -1.81 -1.51 0.00 0.00 177.39 174.64 2jhb s ASP 122 N -3.06 5.15 0.00 -1.43 1.01 -1.25 -0.88 116.67 116.21 2jhb s ASP 122 Ca 0.28 -0.81 0.00 0.00 0.71 0.00 0.00 52.55 52.72 2jhb s ASP 122 Cb -0.12 0.14 0.00 0.00 1.01 0.00 0.00 42.92 43.94 2jhb s ASP 122 CO 0.34 -1.21 0.00 0.61 0.21 0.00 0.00 175.17 175.12 2jhb n GLY 123 N -2.12 -0.31 3.44 0.21 0.00 -0.53 -0.97 105.19 104.91 2jhb n GLY 123 Ca 0.13 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.00 2.09 0.24 1.61 -1.94 0.11 -0.34 119.30 119.07 2jhb s MET 124 Ca 0.00 -0.96 -0.21 0.00 -1.71 0.00 0.00 55.69 52.81 2jhb s MET 124 Cb 0.00 -2.18 0.07 0.00 2.01 0.00 0.00 34.83 34.73 2jhb s MET 124 CO 0.00 0.55 0.97 0.20 -0.01 0.00 0.00 175.02 176.72 2jhb s GLY 125 N -1.33 0.16 0.00 -0.03 0.00 0.46 -0.11 107.32 106.47 2jhb s GLY 125 Ca 0.14 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.44 2jhb s GLY 125 CO 0.04 1.57 0.00 0.00 0.00 0.00 0.00 173.10 174.71 2jhb s LEU 127 N 0.00 3.41 0.36 0.00 1.43 -0.66 -0.81 118.68 122.42 2jhb s LEU 127 Ca 0.00 -0.59 -0.08 0.00 -1.03 0.00 0.00 54.13 52.43 2jhb s LEU 127 Cb 0.00 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 44.32 2jhb s LEU 127 CO 0.00 -0.17 0.62 -0.70 0.23 0.00 0.00 176.35 176.33 2jhb s GLU 128 N -3.82 2.07 -0.13 1.70 2.56 0.66 -4.74 118.70 116.99 2jhb s GLU 128 Ca 0.35 -1.61 -0.05 0.00 0.00 0.00 0.00 54.97 53.66 2jhb s GLU 128 Cb -0.05 0.53 -0.04 0.00 2.00 0.00 0.00 34.13 36.57 2jhb s GLU 128 CO 0.23 -0.91 0.06 0.12 -0.56 0.00 0.00 175.26 174.20 2jhb s PHE 129 N -2.71 3.31 -0.95 5.30 5.36 -1.26 -0.59 117.98 126.43 2jhb s PHE 129 Ca 0.24 0.23 -0.18 0.00 -0.96 0.00 0.00 56.93 56.26 2jhb s PHE 129 Cb -0.03 -1.93 0.15 0.00 -0.34 0.00 0.00 43.02 40.86 2jhb s PHE 129 CO 0.16 0.42 1.13 0.34 -1.46 0.00 0.00 175.22 175.81 2jhb s ASP 130 N -0.45 6.70 0.55 6.13 -1.08 -0.16 -4.57 116.67 123.79 2jhb s ASP 130 Ca 0.10 -2.23 0.23 0.00 -0.52 0.00 0.00 52.55 50.13 2jhb s ASP 130 Cb -0.12 -2.38 1.53 0.00 -1.46 0.00 0.00 42.92 40.49 2jhb s ASP 130 CO 0.02 -0.97 2.17 -0.08 0.52 0.00 0.00 175.17 176.82 2jhb h GLU 131 N 8.53 0.00 0.02 4.34 4.81 -1.97 0.81 114.58 131.11 2jhb h GLU 131 Ca 0.17 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 59.05 2jhb h GLU 131 Cb 1.01 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.34 2jhb h GLU 131 CO 1.09 0.00 -1.94 -1.91 -0.73 0.00 0.00 179.01 175.52 2jhb n GLU 132 N -4.19 0.61 -0.03 1.92 2.13 -1.26 -3.61 120.64 116.22 2jhb n GLU 132 Ca -0.01 0.38 -0.02 0.00 0.66 0.00 0.00 57.16 58.17 2jhb n GLU 132 Cb 0.16 -1.63 0.25 0.00 0.27 0.00 0.00 31.44 30.49 2jhb n GLU 132 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2jhb h ARG 133 N -0.71 0.59 -0.85 5.31 9.65 -1.92 -1.16 114.38 125.29 2jhb h ARG 133 Ca -0.50 -0.14 0.12 0.00 -1.10 0.00 0.00 59.98 58.35 2jhb h ARG 133 Cb 1.59 -0.08 -0.08 0.00 -1.39 0.00 0.00 29.97 30.01 2jhb h ARG 133 CO -0.22 0.63 0.47 0.00 2.80 0.00 0.00 179.97 183.65 2jhb h ALA 134 N 1.42 1.26 -0.51 2.80 0.00 -1.00 0.20 119.26 123.43 2jhb h ALA 134 Ca 0.11 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2jhb h ALA 134 Cb 0.40 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2jhb h ALA 134 CO 0.02 0.02 -0.04 1.96 0.00 0.00 0.00 179.25 181.21 2jhb h GLN 135 N 0.73 0.92 -0.28 0.00 4.20 -1.36 0.14 115.11 119.46 2jhb h GLN 135 Ca 0.44 -0.31 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 2jhb h GLN 135 Cb 0.51 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2jhb h GLN 135 CO -0.30 0.96 0.07 1.96 -0.67 0.00 0.00 178.83 180.86 2jhb h GLN 136 N 0.78 0.45 -0.12 1.46 7.50 -0.26 -2.92 115.11 122.01 2jhb h GLN 136 Ca 0.14 -0.11 -0.11 0.00 0.50 0.00 0.00 58.65 59.07 2jhb h GLN 136 Cb 0.57 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.03 2jhb h GLN 136 CO 0.03 0.53 -0.41 1.49 -1.50 0.00 0.00 178.83 178.97 2jhb h GLU 137 N 0.29 0.27 -0.50 1.46 4.57 -0.57 -0.65 114.58 119.46 2jhb h GLU 137 Ca 0.09 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2jhb h GLU 137 Cb 0.28 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 2jhb h GLU 137 CO 0.00 0.64 0.25 -0.44 -1.18 0.00 0.00 179.01 178.29 2jhb h ASP 138 N 0.23 0.61 0.67 1.04 3.32 -0.63 0.83 116.42 122.49 2jhb h ASP 138 Ca 0.02 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 2jhb h ASP 138 Cb 0.83 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 40.23 2jhb h ASP 138 CO 0.07 0.51 -0.32 0.00 -1.72 0.00 0.00 179.24 177.78 2jhb h ALA 139 N 1.59 -0.90 0.00 3.45 0.00 -1.25 -3.36 119.26 118.78 2jhb h ALA 139 Ca 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jhb h ALA 139 Cb 0.05 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jhb h ALA 139 CO -0.03 -0.86 0.09 1.28 0.00 0.00 0.00 179.25 179.73 2jhb n LEU 140 N -5.38 0.00 -4.31 0.00 4.77 0.08 -2.30 117.00 109.86 2jhb n LEU 140 Ca -0.12 0.41 -0.46 0.00 -0.03 0.00 0.00 56.01 55.81 2jhb n LEU 140 Cb 0.37 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 2jhb n LEU 140 CO 0.29 -0.41 0.26 0.00 -1.33 0.00 0.00 177.39 176.20 2jhb s ALA 141 N -2.81 3.83 -0.45 -1.18 0.00 -0.04 -4.78 121.76 116.33 2jhb s ALA 141 Ca 0.00 -2.91 -0.10 0.00 0.00 0.00 0.00 51.96 48.95 2jhb s ALA 141 Cb 0.00 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.79 2jhb s ALA 141 CO 0.00 -2.13 0.55 0.94 0.00 0.00 0.00 175.76 175.12 2jhb n GLN 142 N 4.62 -1.81 0.00 0.00 7.27 -1.19 -4.93 117.38 121.34 2jhb n GLN 142 Ca -0.01 1.76 0.04 0.00 0.07 0.00 0.00 57.00 58.86 2jhb n GLN 142 Cb 0.43 -5.16 0.22 0.00 2.41 0.00 0.00 30.24 28.14 2jhb n GLN 142 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17