#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fjh s VAL 14 N 0.00 4.07 -0.05 6.31 1.01 -1.26 -4.99 120.40 125.49 2fjh s VAL 14 Ca 0.00 1.40 -0.30 0.00 0.00 0.00 0.00 61.98 63.08 2fjh s VAL 14 Cb 0.00 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2fjh s VAL 14 CO 0.00 -0.03 1.05 -0.69 0.00 0.00 0.00 175.10 175.43 2fjh s VAL 15 N 2.55 4.65 0.34 2.92 1.01 -1.26 -5.00 120.40 125.61 2fjh s VAL 15 Ca 0.59 1.92 -0.28 0.00 0.00 0.00 0.00 61.98 64.21 2fjh s VAL 15 Cb -0.27 -4.23 -0.09 0.00 0.00 0.00 0.00 36.38 31.79 2fjh s VAL 15 CO 0.22 0.06 1.20 -0.54 0.00 0.00 0.00 175.10 176.04 2fjh s LYS 16 N 1.65 4.31 0.14 2.72 -0.14 -1.26 -4.82 119.74 122.35 2fjh s LYS 16 Ca 0.52 1.97 -0.26 0.00 -1.36 0.00 0.00 55.97 56.83 2fjh s LYS 16 Cb -0.21 -2.95 -0.02 0.00 -1.68 0.00 0.00 37.83 32.97 2fjh s LYS 16 CO 0.23 -0.13 1.61 0.35 -0.76 0.00 0.00 175.35 176.64 2fjh h PHE 17 N 3.21 -0.90 -1.15 3.18 3.57 -2.00 0.22 116.94 123.06 2fjh h PHE 17 Ca -0.48 0.04 0.38 0.00 3.53 0.00 0.00 57.97 61.44 2fjh h PHE 17 Cb 1.23 0.42 -0.14 0.00 2.79 0.00 0.00 35.95 40.24 2fjh h PHE 17 CO 0.56 -0.40 0.71 1.98 -2.23 0.00 0.00 178.31 178.93 2fjh h MET 18 N -0.40 0.17 0.02 1.11 4.05 -2.00 -1.36 114.93 116.52 2fjh h MET 18 Ca 0.10 -0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.44 2fjh h MET 18 Cb 0.55 -0.04 0.01 0.00 -0.80 0.00 0.00 31.60 31.32 2fjh h MET 18 CO -0.36 0.11 -0.25 -0.44 0.23 0.00 0.00 176.91 176.21 2fjh h ASP 19 N 0.18 0.18 -0.15 1.39 3.32 -0.97 -2.21 116.42 118.16 2fjh h ASP 19 Ca 0.77 -0.86 0.04 0.00 0.02 0.00 0.00 57.03 57.01 2fjh h ASP 19 Cb 2.15 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 41.57 2fjh h ASP 19 CO -0.51 1.02 -0.44 0.58 -1.72 0.00 0.00 179.24 178.17 2fjh h VAL 20 N -0.63 0.12 -0.56 -1.35 2.07 -0.65 0.64 116.25 115.88 2fjh h VAL 20 Ca -0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.60 2fjh h VAL 20 Cb 1.08 0.12 -0.09 0.00 -1.52 0.00 0.00 31.29 30.87 2fjh h VAL 20 CO 0.05 0.00 -0.01 0.22 0.02 0.00 0.00 177.57 177.85 2fjh h TYR 21 N -0.50 -0.06 -0.38 1.57 5.03 -1.32 -0.93 116.97 120.39 2fjh h TYR 21 Ca 0.07 0.04 -0.11 0.00 2.58 0.00 0.00 58.73 61.31 2fjh h TYR 21 Cb 0.64 0.11 -0.01 0.00 1.55 0.00 0.00 36.73 39.01 2fjh h TYR 21 CO -0.51 -0.15 -0.22 -0.56 -1.32 0.00 0.00 178.16 175.41 2fjh h GLN 22 N 0.11 0.75 0.00 1.82 -0.00 -1.07 -2.51 115.11 114.21 2fjh h GLN 22 Ca 0.29 -0.30 -0.04 0.00 -0.00 0.00 0.00 58.65 58.60 2fjh h GLN 22 Cb 0.45 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 27.89 2fjh h GLN 22 CO -0.48 0.90 -0.17 0.00 -0.00 0.00 0.00 178.83 179.08 2fjh h ARG 23 N 0.66 0.00 -0.01 0.06 -0.00 0.37 -3.24 114.38 112.22 2fjh h ARG 23 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.57 2fjh h ARG 23 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.69 2fjh h ARG 23 CO 0.06 0.17 -0.11 -1.13 0.00 0.00 0.00 179.97 178.96 2fjh n SER 24 N -3.21 1.82 -4.76 7.04 3.41 -0.48 -4.99 113.62 112.46 2fjh n SER 24 Ca 0.02 -1.41 -0.41 0.00 -0.26 0.00 0.00 58.87 56.81 2fjh n SER 24 Cb 0.50 0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 64.61 2fjh n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2fjh s TYR 25 N -1.31 3.12 -0.20 7.33 5.04 -0.95 -1.01 117.35 129.37 2fjh s TYR 25 Ca 0.13 1.30 -0.18 0.00 -2.44 0.00 0.00 57.07 55.89 2fjh s TYR 25 Cb 0.11 -3.67 -0.08 0.00 0.35 0.00 0.00 41.96 38.67 2fjh s TYR 25 CO 0.23 -1.96 0.71 0.00 -1.34 0.00 0.00 175.55 173.19 2fjh s HIS 27 N 1.65 -0.14 -0.15 0.00 -3.43 -0.87 -4.87 115.29 107.48 2fjh s HIS 27 Ca 0.44 -0.18 -0.19 0.00 -0.80 0.00 0.00 55.06 54.32 2fjh s HIS 27 Cb -0.59 0.65 -0.04 0.00 -1.43 0.00 0.00 32.58 31.17 2fjh s HIS 27 CO 0.30 -0.88 0.54 -1.25 -2.00 0.00 0.00 174.74 171.45 2fjh s PRO 28 N -3.37 4.29 -0.04 -0.38 0.05 -1.26 -1.03 135.00 133.26 2fjh s PRO 28 Ca 0.12 0.51 0.04 0.00 0.05 0.00 0.00 61.00 61.72 2fjh s PRO 28 Cb -0.02 -3.50 -0.00 0.00 0.05 0.00 0.00 34.50 31.03 2fjh s PRO 28 CO 0.03 -0.00 -0.15 -1.50 0.05 0.00 0.00 177.00 175.43 2fjh s ILE 29 N 1.13 1.23 0.08 0.56 1.10 0.16 -4.84 121.20 120.63 2fjh s ILE 29 Ca 0.27 -0.61 -0.36 0.00 -0.51 0.00 0.00 60.65 59.44 2fjh s ILE 29 Cb -0.16 -1.07 -0.16 0.00 0.15 0.00 0.00 42.46 41.23 2fjh s ILE 29 CO 0.11 0.36 1.43 1.21 -2.11 0.00 0.00 174.94 175.95 2fjh n GLU 30 N 3.19 1.42 -4.27 3.50 2.13 -1.26 -2.11 120.64 123.24 2fjh n GLU 30 Ca -0.18 0.51 -0.17 0.00 0.66 0.00 0.00 57.16 57.98 2fjh n GLU 30 Cb 0.53 -2.19 -0.14 0.00 0.27 0.00 0.00 31.44 29.91 2fjh n GLU 30 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2fjh s THR 31 N 0.85 0.70 -0.29 6.31 2.01 0.72 -4.89 115.64 121.05 2fjh s THR 31 Ca 0.84 -0.60 -0.16 0.00 0.31 0.00 0.00 61.69 62.08 2fjh s THR 31 Cb -0.89 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 2fjh s THR 31 CO 0.46 0.04 0.42 -0.76 -0.69 0.00 0.00 174.62 174.09 2fjh s LEU 32 N -0.63 4.15 -0.16 4.42 1.43 -1.26 -0.04 118.68 126.58 2fjh s LEU 32 Ca 0.00 0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 53.30 2fjh s LEU 32 Cb -0.05 -2.48 -0.00 0.00 0.03 0.00 0.00 46.19 43.68 2fjh s LEU 32 CO 0.00 -0.28 -0.14 -0.69 0.23 0.00 0.00 176.35 175.48 2fjh s VAL 33 N 2.16 2.78 0.14 -1.59 1.01 0.32 -4.90 120.40 120.32 2fjh s VAL 33 Ca 0.16 -0.73 -0.31 0.00 0.00 0.00 0.00 61.98 61.10 2fjh s VAL 33 Cb -0.16 -2.19 -0.11 0.00 0.00 0.00 0.00 36.38 33.93 2fjh s VAL 33 CO 0.11 0.50 1.82 -0.67 0.00 0.00 0.00 175.10 176.86 2fjh n ASP 34 N 4.14 4.06 -0.17 3.32 2.03 -1.26 -1.58 116.55 127.09 2fjh n ASP 34 Ca -0.19 1.00 -0.08 0.00 0.52 0.00 0.00 54.79 56.04 2fjh n ASP 34 Cb 0.52 -1.56 0.01 0.00 -0.72 0.00 0.00 41.12 39.37 2fjh n ASP 34 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2fjh h ILE 35 N 4.51 1.20 -0.49 5.18 2.04 -1.75 -2.86 117.51 125.33 2fjh h ILE 35 Ca -0.46 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 64.74 2fjh h ILE 35 Cb 1.22 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2fjh h ILE 35 CO 0.95 0.23 0.10 0.15 0.00 0.00 0.00 178.15 179.59 2fjh h PHE 36 N 0.66 0.77 0.00 1.37 3.57 -1.85 0.58 116.94 122.05 2fjh h PHE 36 Ca 0.17 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 2fjh h PHE 36 Cb 0.16 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 2fjh h PHE 36 CO 0.00 0.66 -0.15 0.37 -2.23 0.00 0.00 178.31 176.96 2fjh h GLN 37 N 0.72 0.00 0.00 1.11 4.15 -1.92 -2.89 115.11 116.28 2fjh h GLN 37 Ca 0.16 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.39 2fjh h GLN 37 Cb 0.29 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.95 2fjh h GLN 37 CO 0.00 0.15 -1.50 0.39 -1.93 0.00 0.00 178.83 175.95 2fjh n GLU 38 N -4.03 0.62 -3.62 1.69 -0.58 -0.50 -4.46 120.64 109.76 2fjh n GLU 38 Ca -0.02 0.22 -0.27 0.00 -0.42 0.00 0.00 57.16 56.66 2fjh n GLU 38 Cb 0.24 -1.79 -0.10 0.00 -0.57 0.00 0.00 31.44 29.22 2fjh n GLU 38 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2fjh n TYR 39 N -2.89 3.14 0.42 -0.32 4.02 0.08 -4.95 117.16 116.66 2fjh n TYR 39 Ca -0.11 -4.17 0.12 0.00 -0.01 0.00 0.00 57.90 53.73 2fjh n TYR 39 Cb 0.87 -0.55 0.48 0.00 -0.02 0.00 0.00 39.34 40.13 2fjh n TYR 39 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2fjh n PRO 40 N 1.43 0.20 -1.21 -0.72 -0.04 -1.11 -2.48 135.00 131.07 2fjh n PRO 40 Ca 0.25 0.40 -0.25 0.00 -0.04 0.00 0.00 63.50 63.86 2fjh n PRO 40 Cb 0.39 -1.87 0.16 0.00 -0.04 0.00 0.00 33.50 32.14 2fjh n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2fjh n ASP 41 N -2.25 4.35 -2.56 3.54 10.43 -1.26 -4.36 116.55 124.43 2fjh n ASP 41 Ca 0.02 -3.59 -0.24 0.00 2.57 0.00 0.00 54.79 53.56 2fjh n ASP 41 Cb 0.25 -0.85 0.00 0.00 1.84 0.00 0.00 41.12 42.36 2fjh n ASP 41 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2fjh n GLU 42 N -1.06 2.97 0.26 -1.24 -0.58 -1.03 -4.93 120.64 115.02 2fjh n GLU 42 Ca 0.59 -4.30 0.11 0.00 -0.42 0.00 0.00 57.16 53.14 2fjh n GLU 42 Cb 1.49 -2.06 0.73 0.00 -0.57 0.00 0.00 31.44 31.02 2fjh n GLU 42 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 2fjh h ILE 43 N 2.66 0.83 -0.00 -3.67 3.07 -1.85 -2.53 117.51 116.02 2fjh h ILE 43 Ca 0.21 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.62 2fjh h ILE 43 Cb 0.94 0.98 0.00 0.00 -0.27 0.00 0.00 36.82 38.47 2fjh h ILE 43 CO 0.78 0.00 -0.26 -1.84 -1.05 0.00 0.00 178.15 175.78 2fjh n GLU 44 N -4.31 0.17 -4.06 0.16 0.28 -1.26 -4.90 120.64 106.71 2fjh n GLU 44 Ca -0.02 -0.07 -0.33 0.00 -0.16 0.00 0.00 57.16 56.58 2fjh n GLU 44 Cb 0.12 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.43 2fjh n GLU 44 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2fjh s TYR 45 N -2.88 3.34 -0.17 -1.84 2.02 -0.96 -4.68 117.35 112.18 2fjh s TYR 45 Ca 0.16 0.24 -0.01 0.00 -0.37 0.00 0.00 57.07 57.09 2fjh s TYR 45 Cb 0.19 -1.76 -0.00 0.00 -0.40 0.00 0.00 41.96 39.99 2fjh s TYR 45 CO 0.60 0.57 -0.13 0.42 -1.57 0.00 0.00 175.55 175.44 2fjh s ILE 46 N -1.22 2.81 -0.07 2.71 1.01 -0.98 -4.94 121.20 120.53 2fjh s ILE 46 Ca 0.24 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 60.11 2fjh s ILE 46 Cb -0.12 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 2fjh s ILE 46 CO 0.15 0.50 0.18 -0.36 0.00 0.00 0.00 174.94 175.41 2fjh s PHE 47 N 0.91 3.59 -0.07 3.97 0.08 -1.26 -0.68 117.98 124.52 2fjh s PHE 47 Ca -0.03 0.51 0.00 0.00 0.12 0.00 0.00 56.93 57.54 2fjh s PHE 47 Cb -0.15 -1.93 0.02 0.00 -0.57 0.00 0.00 43.02 40.39 2fjh s PHE 47 CO -0.01 0.69 -0.05 0.15 -0.10 0.00 0.00 175.22 175.90 2fjh s LYS 48 N -1.37 1.04 0.88 0.44 1.02 0.38 -3.02 119.74 119.12 2fjh s LYS 48 Ca 0.20 -0.12 -0.11 0.00 0.02 0.00 0.00 55.97 55.96 2fjh s LYS 48 Cb -0.13 -1.11 0.12 0.00 -0.52 0.00 0.00 37.83 36.20 2fjh s LYS 48 CO 0.10 -0.16 1.11 -1.25 -0.92 0.00 0.00 175.35 174.22 2fjh s PRO 49 N 1.33 1.32 0.51 -1.68 0.04 -1.26 -0.20 135.00 135.05 2fjh s PRO 49 Ca -0.04 1.22 0.28 0.00 0.04 0.00 0.00 61.00 62.51 2fjh s PRO 49 Cb -0.14 -1.79 1.31 0.00 0.04 0.00 0.00 34.50 33.93 2fjh s PRO 49 CO -0.03 -2.31 1.99 1.03 0.04 0.00 0.00 177.00 177.72 2fjh h SER 50 N -1.62 0.00 -5.43 6.66 0.87 -1.95 -3.46 113.55 108.62 2fjh h SER 50 Ca -0.46 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 59.93 2fjh h SER 50 Cb 1.26 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 63.12 2fjh h SER 50 CO 0.48 0.13 -0.30 0.00 -0.53 0.00 0.00 176.83 176.62 2fjh s VAL 52 N -3.84 0.29 -0.24 0.00 -7.23 -0.61 -4.92 120.40 103.85 2fjh s VAL 52 Ca 0.30 -1.19 -0.22 0.00 -1.81 0.00 0.00 61.98 59.06 2fjh s VAL 52 Cb 0.02 -0.68 -0.01 0.00 0.56 0.00 0.00 36.38 36.27 2fjh s VAL 52 CO 0.13 -0.58 0.73 -2.16 -0.31 0.00 0.00 175.10 172.91 2fjh s PRO 53 N -2.08 4.16 -0.02 4.82 0.04 -1.26 -0.52 135.00 140.13 2fjh s PRO 53 Ca -0.08 0.75 0.02 0.00 0.04 0.00 0.00 61.00 61.72 2fjh s PRO 53 Cb -0.06 -3.64 0.01 0.00 0.04 0.00 0.00 34.50 30.85 2fjh s PRO 53 CO -0.02 -0.44 -0.05 -0.51 0.04 0.00 0.00 177.00 176.02 2fjh s LEU 54 N 2.58 1.69 -0.15 -3.56 1.43 0.94 -4.91 118.68 116.70 2fjh s LEU 54 Ca 0.31 -0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 53.00 2fjh s LEU 54 Cb -0.15 -0.37 -0.05 0.00 0.03 0.00 0.00 46.19 45.65 2fjh s LEU 54 CO 0.08 0.02 1.77 -0.04 0.23 0.00 0.00 176.35 178.41 2fjh s MET 55 N 0.33 3.81 0.14 1.70 -1.94 -1.26 -0.20 119.30 121.89 2fjh s MET 55 Ca -0.04 1.96 0.05 0.00 -1.71 0.00 0.00 55.69 55.95 2fjh s MET 55 Cb -0.08 -4.10 -0.04 0.00 2.01 0.00 0.00 34.83 32.62 2fjh s MET 55 CO -0.00 -1.29 -0.10 1.03 -0.01 0.00 0.00 175.02 174.64 2fjh s ARG 56 N 4.79 1.04 0.13 2.03 1.81 -0.90 0.29 118.95 128.15 2fjh s ARG 56 Ca 0.79 -1.41 -0.31 0.00 -1.72 0.00 0.00 55.73 53.08 2fjh s ARG 56 Cb -0.30 -0.64 -0.08 0.00 -0.45 0.00 0.00 34.95 33.47 2fjh s ARG 56 CO 0.32 0.08 1.41 0.00 -0.68 0.00 0.00 175.30 176.43 2fjh s GLY 58 N 1.04 0.51 0.00 0.00 0.00 -0.19 -4.85 107.32 103.83 2fjh s GLY 58 Ca 0.65 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 44.49 2fjh s GLY 58 CO 0.31 -0.76 0.00 0.61 0.00 0.00 0.00 173.10 173.26 2fjh n GLY 59 N -0.28 1.19 3.88 0.20 0.00 -1.26 -2.05 105.19 106.86 2fjh n GLY 59 Ca -0.05 -2.05 -0.31 0.00 0.00 0.00 0.00 46.02 43.61 2fjh n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fjh n ASN 62 N -1.82 -1.35 0.00 0.00 3.02 -1.26 -4.93 115.26 108.92 2fjh n ASN 62 Ca 0.04 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 2fjh n ASN 62 Cb 0.40 -4.21 0.00 0.00 -0.61 0.00 0.00 39.78 35.36 2fjh n ASN 62 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2fjh n ASP 63 N -3.07 0.00 -0.32 6.41 -0.08 -1.26 -5.09 116.55 113.15 2fjh n ASP 63 Ca -0.30 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.01 2fjh n ASP 63 Cb 0.68 0.00 0.21 0.00 2.34 0.00 0.00 41.12 44.35 2fjh n ASP 63 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2fjh h GLU 64 N 0.00 1.06 -1.89 -0.67 4.39 -2.04 -2.79 114.58 112.64 2fjh h GLU 64 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2fjh h GLU 64 Cb 0.00 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.41 2fjh h GLU 64 CO 0.00 0.70 0.00 0.41 -1.16 0.00 0.00 179.01 178.96 2fjh n GLY 65 N -1.39 1.86 3.16 -3.84 0.00 -1.26 -4.79 105.19 98.93 2fjh n GLY 65 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 2fjh n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fjh s LEU 66 N 0.00 1.89 -0.10 0.99 1.43 -1.05 -2.66 118.68 119.17 2fjh s LEU 66 Ca 0.00 -0.83 -0.08 0.00 -1.03 0.00 0.00 54.13 52.19 2fjh s LEU 66 Cb 0.00 0.65 0.03 0.00 0.03 0.00 0.00 46.19 46.90 2fjh s LEU 66 CO 0.00 -0.68 0.27 -0.70 0.23 0.00 0.00 176.35 175.47 2fjh s GLU 67 N -3.90 0.28 -0.35 1.70 2.12 0.11 -4.53 118.70 114.13 2fjh s GLU 67 Ca 0.07 0.44 -0.29 0.00 0.36 0.00 0.00 54.97 55.55 2fjh s GLU 67 Cb 0.06 0.06 0.02 0.00 0.26 0.00 0.00 34.13 34.53 2fjh s GLU 67 CO -0.10 -0.08 1.15 0.00 -0.54 0.00 0.00 175.26 175.69 2fjh s VAL 69 N 4.03 0.61 0.32 0.00 -7.23 -0.65 -4.82 120.40 112.65 2fjh s VAL 69 Ca 0.49 -1.03 -0.28 0.00 -1.81 0.00 0.00 61.98 59.35 2fjh s VAL 69 Cb -0.12 -0.65 -0.10 0.00 0.56 0.00 0.00 36.38 36.07 2fjh s VAL 69 CO 0.21 -0.31 1.21 -2.16 -0.31 0.00 0.00 175.10 173.74 2fjh s PRO 70 N -1.46 4.41 0.00 4.82 0.04 -1.26 -1.18 135.00 140.37 2fjh s PRO 70 Ca -0.08 2.01 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2fjh s PRO 70 Cb -0.09 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.40 2fjh s PRO 70 CO 0.01 -0.06 0.00 0.25 0.04 0.00 0.00 177.00 177.23 2fjh n THR 71 N 0.83 0.00 -3.45 1.26 -2.24 -0.27 -4.89 114.28 105.51 2fjh n THR 71 Ca 0.00 -0.37 -0.23 0.00 -2.27 0.00 0.00 64.05 61.18 2fjh n THR 71 Cb 0.44 0.90 -0.12 0.00 -2.10 0.00 0.00 70.33 69.45 2fjh n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2fjh s GLU 72 N -1.07 0.36 0.07 -0.78 2.12 -1.16 -4.96 118.70 113.29 2fjh s GLU 72 Ca 0.00 -0.60 0.04 0.00 0.36 0.00 0.00 54.97 54.77 2fjh s GLU 72 Cb 0.00 -0.96 -0.04 0.00 0.26 0.00 0.00 34.13 33.39 2fjh s GLU 72 CO 0.00 -1.08 0.01 -1.21 -0.54 0.00 0.00 175.26 172.43 2fjh s GLU 73 N 1.90 2.63 0.31 4.30 2.02 -1.26 0.57 118.70 129.17 2fjh s GLU 73 Ca 0.12 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.35 2fjh s GLU 73 Cb -0.17 -2.59 -0.02 0.00 0.10 0.00 0.00 34.13 31.46 2fjh s GLU 73 CO -0.24 0.56 0.34 -1.54 0.02 0.00 0.00 175.26 174.41 2fjh s SER 74 N -2.13 1.05 0.16 -0.19 1.04 -0.81 -4.93 113.70 107.88 2fjh s SER 74 Ca 0.25 -1.55 0.06 0.00 0.48 0.00 0.00 55.95 55.18 2fjh s SER 74 Cb -0.12 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 2fjh s SER 74 CO 0.17 -1.12 0.09 0.20 0.98 0.00 0.00 173.24 173.55 2fjh s ASN 75 N -3.27 5.28 0.02 7.02 0.01 -1.26 0.14 114.94 122.87 2fjh s ASN 75 Ca 0.36 -0.20 0.02 0.00 -0.71 0.00 0.00 52.86 52.32 2fjh s ASN 75 Cb 0.02 -1.31 -0.01 0.00 0.41 0.00 0.00 41.25 40.36 2fjh s ASN 75 CO 0.21 0.09 -0.06 -0.51 -1.51 0.00 0.00 177.10 175.32 2fjh s ILE 76 N -1.70 0.45 -0.15 0.60 2.07 -0.12 -4.90 121.20 117.44 2fjh s ILE 76 Ca 0.30 -0.58 0.01 0.00 -1.41 0.00 0.00 60.65 58.97 2fjh s ILE 76 Cb -0.10 -0.44 0.01 0.00 0.13 0.00 0.00 42.46 42.05 2fjh s ILE 76 CO 0.22 -0.10 -0.19 -0.89 -1.91 0.00 0.00 174.94 172.06 2fjh s THR 77 N -0.66 2.26 0.14 4.00 2.01 -1.26 0.07 115.64 122.21 2fjh s THR 77 Ca -0.03 -0.90 0.11 0.00 0.31 0.00 0.00 61.69 61.18 2fjh s THR 77 Cb -0.05 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 2fjh s THR 77 CO 0.00 0.53 -0.26 -0.04 -0.69 0.00 0.00 174.62 174.16 2fjh s MET 78 N 0.92 1.42 -0.47 4.92 1.00 -0.43 -4.91 119.30 121.76 2fjh s MET 78 Ca -0.04 -1.38 -0.22 0.00 0.00 0.00 0.00 55.69 54.04 2fjh s MET 78 Cb -0.15 -1.89 0.03 0.00 0.00 0.00 0.00 34.83 32.82 2fjh s MET 78 CO -0.03 0.44 0.78 1.14 0.00 0.00 0.00 175.02 177.34 2fjh s GLN 79 N -2.18 3.34 0.39 2.03 -2.07 -1.26 -0.16 119.66 119.75 2fjh s GLN 79 Ca 0.15 -0.26 -0.00 0.00 -1.82 0.00 0.00 55.36 53.43 2fjh s GLN 79 Cb -0.10 -3.98 -0.03 0.00 -1.09 0.00 0.00 33.01 27.82 2fjh s GLN 79 CO 0.07 -1.18 0.61 0.42 -1.32 0.00 0.00 175.29 173.89 2fjh s ILE 80 N 3.27 4.78 -0.19 3.63 -1.09 0.12 -4.88 121.20 126.83 2fjh s ILE 80 Ca 0.27 -0.38 -0.06 0.00 -2.23 0.00 0.00 60.65 58.25 2fjh s ILE 80 Cb -0.13 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 36.96 2fjh s ILE 80 CO 0.20 -0.54 0.03 -0.32 -1.23 0.00 0.00 174.94 173.08 2fjh s MET 81 N -4.44 3.77 -0.12 2.79 1.75 0.72 -0.51 119.30 123.26 2fjh s MET 81 Ca 0.43 -0.45 -0.09 0.00 -1.25 0.00 0.00 55.69 54.34 2fjh s MET 81 Cb -0.10 -3.13 -0.04 0.00 2.84 0.00 0.00 34.83 34.40 2fjh s MET 81 CO 0.38 0.13 0.17 1.03 -0.65 0.00 0.00 175.02 176.08 2fjh s ARG 82 N 0.71 3.65 -0.28 4.11 3.00 -0.26 -0.47 118.95 129.42 2fjh s ARG 82 Ca 0.01 -0.09 0.01 0.00 0.00 0.00 0.00 55.73 55.67 2fjh s ARG 82 Cb -0.14 -3.24 0.08 0.00 0.00 0.00 0.00 34.95 31.65 2fjh s ARG 82 CO 0.02 0.66 0.03 0.42 0.00 0.00 0.00 175.30 176.43 2fjh s ILE 83 N -0.72 1.46 -0.12 1.52 1.01 0.14 -2.15 121.20 122.34 2fjh s ILE 83 Ca 0.15 -1.53 -0.06 0.00 0.00 0.00 0.00 60.65 59.20 2fjh s ILE 83 Cb -0.12 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 2fjh s ILE 83 CO 0.04 -0.42 0.12 -0.54 0.00 0.00 0.00 174.94 174.14 2fjh s LYS 84 N 1.36 3.43 0.27 2.79 1.02 -1.23 -2.33 119.74 125.05 2fjh s LYS 84 Ca 0.04 -0.18 -0.30 0.00 0.02 0.00 0.00 55.97 55.55 2fjh s LYS 84 Cb -0.18 -3.14 -0.10 0.00 -0.52 0.00 0.00 37.83 33.88 2fjh s LYS 84 CO -0.13 0.73 1.42 -1.25 -0.92 0.00 0.00 175.35 175.19 2fjh s PRO 85 N -0.89 4.28 -1.80 -1.68 0.04 -1.26 -2.66 135.00 131.02 2fjh s PRO 85 Ca 0.14 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.48 2fjh s PRO 85 Cb -0.12 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2fjh s PRO 85 CO 0.03 -0.38 0.00 0.72 0.04 0.00 0.00 177.00 177.41 2fjh n HIS 86 N 1.97 -0.89 -1.97 0.56 8.25 -1.26 -4.83 115.22 117.06 2fjh n HIS 86 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2fjh n HIS 86 Cb 0.40 -3.84 0.00 0.00 1.12 0.00 0.00 29.99 27.68 2fjh n HIS 86 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2fjh n GLN 87 N -2.91 0.00 0.00 -0.41 1.13 -1.09 -5.14 117.38 108.97 2fjh n GLN 87 Ca -0.24 -0.73 0.00 0.00 -1.94 0.00 0.00 57.00 54.10 2fjh n GLN 87 Cb 0.68 -0.37 0.00 0.00 0.11 0.00 0.00 30.24 30.66 2fjh n GLN 87 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2fjh n GLY 88 N 0.00 0.93 2.96 1.08 0.00 -1.25 -4.72 105.19 104.20 2fjh n GLY 88 Ca 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 2fjh n GLY 88 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2fjh s GLN 89 N 0.00 0.32 -0.07 1.61 0.00 -1.26 -3.51 119.66 116.75 2fjh s GLN 89 Ca 0.00 -0.31 -0.03 0.00 -0.00 0.00 0.00 55.36 55.02 2fjh s GLN 89 Cb 0.00 -0.22 0.04 0.00 0.00 0.00 0.00 33.01 32.83 2fjh s GLN 89 CO 0.00 0.05 0.15 -1.58 0.00 0.00 0.00 175.29 173.91 2fjh s HIS 90 N -0.51 -0.16 -0.42 9.60 2.46 -0.91 -4.99 115.29 120.35 2fjh s HIS 90 Ca -0.03 0.51 -0.23 0.00 0.47 0.00 0.00 55.06 55.78 2fjh s HIS 90 Cb -0.04 -0.14 0.02 0.00 -0.13 0.00 0.00 32.58 32.29 2fjh s HIS 90 CO -0.00 -0.20 0.79 0.42 -2.47 0.00 0.00 174.74 173.28 2fjh s ILE 91 N 1.50 4.67 0.23 0.89 1.01 -1.26 -1.10 121.20 127.14 2fjh s ILE 91 Ca -0.06 0.60 0.10 0.00 0.00 0.00 0.00 60.65 61.30 2fjh s ILE 91 Cb -0.12 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 2fjh s ILE 91 CO -0.06 -0.62 -0.12 -0.83 0.00 0.00 0.00 174.94 173.31 2fjh s GLY 92 N 2.04 1.75 0.40 6.18 0.00 0.33 -4.94 107.32 113.08 2fjh s GLY 92 Ca 0.31 -1.66 -0.24 0.00 0.00 0.00 0.00 44.72 43.13 2fjh s GLY 92 CO 0.21 -1.71 1.03 -0.54 0.00 0.00 0.00 173.10 172.09 2fjh s GLU 93 N -3.22 4.20 -0.01 2.90 2.02 -1.26 -0.70 118.70 122.62 2fjh s GLU 93 Ca 0.27 1.44 0.00 0.00 0.02 0.00 0.00 54.97 56.71 2fjh s GLU 93 Cb -0.07 -2.51 0.01 0.00 0.10 0.00 0.00 34.13 31.66 2fjh s GLU 93 CO 0.16 -0.10 0.00 1.41 0.02 0.00 0.00 175.26 176.75 2fjh s MET 94 N -2.55 0.06 -0.08 1.61 1.75 0.78 -4.84 119.30 116.03 2fjh s MET 94 Ca 0.58 0.05 -0.13 0.00 -1.25 0.00 0.00 55.69 54.94 2fjh s MET 94 Cb -0.20 -0.17 -0.05 0.00 2.84 0.00 0.00 34.83 37.25 2fjh s MET 94 CO 0.25 -0.06 0.32 0.45 -0.65 0.00 0.00 175.02 175.33 2fjh s SER 95 N 0.44 6.59 0.17 1.11 0.15 -1.26 -1.31 113.70 119.59 2fjh s SER 95 Ca -0.04 0.70 0.07 0.00 0.70 0.00 0.00 55.95 57.39 2fjh s SER 95 Cb -0.06 -2.19 -0.04 0.00 -1.71 0.00 0.00 66.02 62.02 2fjh s SER 95 CO -0.01 0.25 -0.15 -0.36 1.20 0.00 0.00 173.24 174.17 2fjh s PHE 96 N -0.48 1.66 -0.25 3.44 0.08 0.11 -4.97 117.98 117.57 2fjh s PHE 96 Ca 0.20 -0.54 -0.16 0.00 0.12 0.00 0.00 56.93 56.54 2fjh s PHE 96 Cb -0.14 -0.81 -0.03 0.00 -0.57 0.00 0.00 43.02 41.46 2fjh s PHE 96 CO 0.08 0.29 0.42 -1.17 -0.10 0.00 0.00 175.22 174.74 2fjh s LEU 97 N -2.91 4.07 0.16 -0.37 2.96 -1.26 -0.95 118.68 120.38 2fjh s LEU 97 Ca 0.17 0.40 0.05 0.00 -0.22 0.00 0.00 54.13 54.53 2fjh s LEU 97 Cb -0.03 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 2fjh s LEU 97 CO 0.06 -0.19 0.13 -1.10 -1.32 0.00 0.00 176.35 173.93 2fjh s GLN 98 N 1.96 2.89 -0.15 1.98 -0.21 0.12 -4.81 119.66 121.44 2fjh s GLN 98 Ca 0.18 -0.86 -0.04 0.00 0.02 0.00 0.00 55.36 54.66 2fjh s GLN 98 Cb -0.15 -2.65 -0.03 0.00 1.00 0.00 0.00 33.01 31.18 2fjh s GLN 98 CO 0.09 0.49 -0.01 -1.01 -2.12 0.00 0.00 175.29 172.73 2fjh s HIS 99 N -1.71 3.09 -0.11 0.91 3.76 0.14 -1.93 115.29 119.45 2fjh s HIS 99 Ca 0.31 -0.14 0.07 0.00 -0.15 0.00 0.00 55.06 55.15 2fjh s HIS 99 Cb -0.10 -1.95 -0.12 0.00 1.11 0.00 0.00 32.58 31.52 2fjh s HIS 99 CO 0.23 0.09 0.00 0.09 -0.85 0.00 0.00 174.74 174.30 2fjh n ASN 100 N 3.29 2.62 -4.01 1.40 5.03 0.19 -4.54 115.26 119.25 2fjh n ASN 100 Ca -0.17 -0.02 -0.23 0.00 0.87 0.00 0.00 54.58 55.03 2fjh n ASN 100 Cb 0.53 0.54 -0.16 0.00 -1.02 0.00 0.00 39.78 39.66 2fjh n ASN 100 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2fjh s LYS 101 N -2.25 1.38 0.01 3.52 2.20 -1.10 -4.89 119.74 118.62 2fjh s LYS 101 Ca -0.08 -0.36 0.09 0.00 -0.36 0.00 0.00 55.97 55.26 2fjh s LYS 101 Cb 0.03 -1.20 -0.02 0.00 -1.51 0.00 0.00 37.83 35.13 2fjh s LYS 101 CO 0.39 0.05 -0.26 0.00 -0.36 0.00 0.00 175.35 175.17 2fjh s GLU 103 N -0.92 0.75 -0.41 0.00 2.12 -0.33 -4.79 118.70 115.12 2fjh s GLU 103 Ca 0.11 -1.29 -0.27 0.00 0.36 0.00 0.00 54.97 53.87 2fjh s GLU 103 Cb -0.10 -0.03 0.02 0.00 0.26 0.00 0.00 34.13 34.29 2fjh s GLU 103 CO 0.01 -0.06 1.01 0.00 -0.54 0.00 0.00 175.26 175.67 2fjh s ARG 105 N 3.85 2.87 -0.40 0.00 3.52 0.63 -4.83 118.95 124.59 2fjh s ARG 105 Ca 0.42 -0.81 -0.38 0.00 -0.13 0.00 0.00 55.73 54.83 2fjh s ARG 105 Cb -0.10 -2.28 -0.16 0.00 -1.56 0.00 0.00 34.95 30.85 2fjh s ARG 105 CO 0.24 0.05 1.32 -2.30 -0.81 0.00 0.00 175.30 173.80 2fjh n PRO 106 N 3.89 0.00 0.00 5.12 -0.02 -1.26 0.06 135.00 142.79 2fjh n PRO 106 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 2fjh n PRO 106 Cb 0.52 -1.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 2fjh n PRO 106 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2fjh n LYS 107 N 3.41 0.00 -1.49 -0.52 3.00 -1.09 -4.75 118.16 116.73 2fjh n LYS 107 Ca 0.26 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.28 2fjh n LYS 107 Cb -0.05 0.00 0.16 0.00 0.00 0.00 0.00 35.03 35.14 2fjh n LYS 107 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2fjh s LYS 108 N 0.00 0.74 0.00 1.64 1.02 -1.26 -5.01 119.74 116.88 2fjh s LYS 108 Ca 0.00 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.19 2fjh s LYS 108 Cb 0.00 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.51 2fjh s LYS 108 CO 0.00 -2.45 0.18 -0.25 -0.92 0.00 0.00 175.35 171.91