#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1be3 n PRO 16 N 0.00 -0.26 0.04 -0.24 -0.01 -1.26 -2.46 135.00 130.81 1be3 n PRO 16 Ca 0.00 1.13 -0.11 0.00 -0.01 0.00 0.00 63.50 64.51 1be3 n PRO 16 Cb 0.00 -1.67 -0.04 0.00 -0.01 0.00 0.00 33.50 31.78 1be3 n PRO 16 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 175.50 176.74 1be3 h LEU 17 N 0.00 -0.69 -2.01 2.45 5.85 -1.98 -2.95 115.31 115.97 1be3 h LEU 17 Ca 0.10 0.10 0.12 0.00 0.84 0.00 0.00 57.88 59.04 1be3 h LEU 17 Cb 0.24 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1be3 h LEU 17 CO -0.56 -0.29 0.42 0.71 -0.34 0.00 0.00 178.44 178.37 1be3 h THR 18 N -0.34 0.44 0.00 1.05 1.35 -1.94 -2.57 112.91 110.90 1be3 h THR 18 Ca 0.07 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.84 1be3 h THR 18 Cb 0.44 0.68 -0.01 0.00 -1.73 0.00 0.00 68.15 67.53 1be3 h THR 18 CO -0.24 0.00 -0.52 0.74 -0.25 0.00 0.00 175.52 175.25 1be3 h THR 19 N 0.00 1.22 -0.80 6.82 2.02 -1.53 -3.35 112.91 117.29 1be3 h THR 19 Ca 0.20 -2.11 0.16 0.00 0.77 0.00 0.00 66.41 65.44 1be3 h THR 19 Cb 1.03 2.49 -0.10 0.00 -1.74 0.00 0.00 68.15 69.83 1be3 h THR 19 CO -0.00 0.41 0.33 0.58 0.37 0.00 0.00 175.52 177.21 1be3 h VAL 20 N -1.00 0.61 -0.01 3.16 2.07 -1.54 -2.09 116.25 117.45 1be3 h VAL 20 Ca -0.14 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.25 1be3 h VAL 20 Cb 1.02 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 1be3 h VAL 20 CO -0.08 0.08 -0.52 0.03 0.02 0.00 0.00 177.57 177.10 1be3 h ARG 21 N 0.45 -0.64 -0.27 1.57 3.08 -1.61 -1.75 114.38 115.21 1be3 h ARG 21 Ca 0.46 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.61 1be3 h ARG 21 Cb 0.74 0.14 -0.08 0.00 0.08 0.00 0.00 29.97 30.86 1be3 h ARG 21 CO -0.44 -0.42 -0.42 0.93 -1.07 0.00 0.00 179.97 178.55 1be3 h GLU 22 N -0.66 -0.39 -0.83 0.04 5.08 -1.51 -1.30 114.58 115.01 1be3 h GLU 22 Ca 0.02 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.52 1be3 h GLU 22 Cb 0.72 0.09 -0.13 0.00 0.50 0.00 0.00 28.75 29.93 1be3 h GLU 22 CO -0.36 -0.26 -0.45 1.96 -1.00 0.00 0.00 179.01 178.90 1be3 h GLN 23 N -0.40 -0.09 -0.87 2.33 4.20 -1.16 -0.74 115.11 118.38 1be3 h GLN 23 Ca 0.11 0.01 0.22 0.00 0.06 0.00 0.00 58.65 59.04 1be3 h GLN 23 Cb 0.60 0.02 -0.15 0.00 0.30 0.00 0.00 27.48 28.25 1be3 h GLN 23 CO -0.48 -0.06 0.02 0.00 -0.67 0.00 0.00 178.83 177.64 1be3 n GLU 25 N -5.40 0.90 0.00 0.00 0.28 -0.32 -3.03 120.64 113.08 1be3 n GLU 25 Ca 0.18 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.30 1be3 n GLU 25 Cb 0.60 -1.17 0.15 0.00 1.43 0.00 0.00 31.44 32.45 1be3 n GLU 25 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1be3 n GLN 26 N -0.67 1.77 -3.16 3.44 7.27 0.54 -3.92 117.38 122.64 1be3 n GLN 26 Ca 0.07 -1.39 -0.37 0.00 0.07 0.00 0.00 57.00 55.38 1be3 n GLN 26 Cb 0.03 -1.47 -0.06 0.00 2.41 0.00 0.00 30.24 31.15 1be3 n GLN 26 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1be3 s LEU 27 N -2.19 4.45 0.45 1.69 1.43 -1.17 -4.81 118.68 118.53 1be3 s LEU 27 Ca 0.26 1.37 0.37 0.00 -1.03 0.00 0.00 54.13 55.10 1be3 s LEU 27 Cb 0.19 -3.29 1.47 0.00 0.03 0.00 0.00 46.19 44.60 1be3 s LEU 27 CO 0.41 0.15 1.45 -0.62 0.23 0.00 0.00 176.35 177.96 1be3 n GLU 28 N 1.19 -0.02 0.12 1.70 -0.58 -1.26 0.33 120.64 122.12 1be3 n GLU 28 Ca -0.06 1.10 0.12 0.00 -0.42 0.00 0.00 57.16 57.91 1be3 n GLU 28 Cb 0.51 -2.30 0.18 0.00 -0.57 0.00 0.00 31.44 29.25 1be3 n GLU 28 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1be3 h LYS 29 N 0.00 0.00 0.05 3.49 1.79 -1.95 -2.00 116.57 117.95 1be3 h LYS 29 Ca 0.84 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 59.22 1be3 h LYS 29 Cb 2.98 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 33.63 1be3 h LYS 29 CO -0.27 0.00 -0.44 0.00 -1.08 0.00 0.00 179.45 177.66 1be3 h VAL 31 N -0.75 0.95 -0.50 0.00 2.07 -1.43 -1.68 116.25 114.91 1be3 h VAL 31 Ca -0.09 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 66.99 1be3 h VAL 31 Cb 1.28 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1be3 h VAL 31 CO 0.04 0.17 -0.18 0.50 0.02 0.00 0.00 177.57 178.12 1be3 h LYS 32 N 0.93 1.01 -0.02 1.57 3.64 -1.48 -3.25 116.57 118.96 1be3 h LYS 32 Ca 0.43 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1be3 h LYS 32 Cb 0.36 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1be3 h LYS 32 CO -0.24 1.09 -0.10 0.00 -2.27 0.00 0.00 179.45 177.94 1be3 n ALA 33 N -2.51 2.72 0.39 5.00 0.00 -1.13 -3.84 120.51 121.13 1be3 n ALA 33 Ca 0.00 -0.62 0.13 0.00 0.00 0.00 0.00 53.44 52.96 1be3 n ALA 33 Cb 0.44 -0.90 0.41 0.00 0.00 0.00 0.00 19.45 19.41 1be3 n ALA 33 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1be3 h ARG 34 N 3.61 0.00 0.00 0.00 2.43 -1.34 -3.17 114.38 115.92 1be3 h ARG 34 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1be3 h ARG 34 Cb 0.83 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1be3 h ARG 34 CO 0.00 0.00 -0.14 0.93 -1.51 0.00 0.00 179.97 179.25 1be3 h GLU 35 N 0.00 0.00 0.00 0.20 5.08 -1.71 -0.82 114.58 117.34 1be3 h GLU 35 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1be3 h GLU 35 Cb 0.69 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1be3 h GLU 35 CO 0.00 0.14 -0.50 0.00 -1.00 0.00 0.00 179.01 177.65 1be3 h ARG 36 N 0.00 0.00 0.02 2.33 3.08 -1.81 -2.73 114.38 115.26 1be3 h ARG 36 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1be3 h ARG 36 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1be3 h ARG 36 CO 0.02 0.25 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.09 1be3 h LEU 37 N 0.00 -0.02 -0.50 3.04 3.38 -1.45 -3.17 115.31 116.59 1be3 h LEU 37 Ca -0.02 -0.72 0.10 0.00 0.09 0.00 0.00 57.88 57.33 1be3 h LEU 37 Cb 1.24 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.91 1be3 h LEU 37 CO 0.03 0.80 -0.02 -0.33 0.09 0.00 0.00 178.44 179.02 1be3 h GLU 38 N -0.93 0.10 0.00 1.13 4.39 -1.27 0.18 114.58 118.18 1be3 h GLU 38 Ca -0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1be3 h GLU 38 Cb 0.74 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1be3 h GLU 38 CO 0.00 0.06 0.00 1.28 -1.16 0.00 0.00 179.01 179.20 1be3 n LEU 39 N -5.25 0.18 -0.23 1.33 4.77 -1.03 -3.39 117.00 113.39 1be3 n LEU 39 Ca 0.05 0.56 0.13 0.00 -0.03 0.00 0.00 56.01 56.73 1be3 n LEU 39 Cb 0.27 -0.10 0.25 0.00 -2.33 0.00 0.00 43.42 41.52 1be3 n LEU 39 CO 0.15 -0.10 0.58 0.00 -1.33 0.00 0.00 177.39 176.69 1be3 h ASP 41 N 0.00 0.00 0.00 0.00 5.19 -0.64 -3.19 116.42 117.77 1be3 h ASP 41 Ca 0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.86 1be3 h ASP 41 Cb 1.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.53 1be3 h ASP 41 CO -0.60 0.00 -0.09 -1.84 -3.12 0.00 0.00 179.24 173.60 1be3 n GLU 42 N -2.34 3.19 0.00 3.56 0.28 0.38 -4.84 120.64 120.86 1be3 n GLU 42 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1be3 n GLU 42 Cb 0.16 -0.54 0.00 0.00 1.43 0.00 0.00 31.44 32.49 1be3 n GLU 42 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1be3 n ARG 43 N -0.35 0.60 -3.17 3.44 0.63 0.56 -4.77 116.66 113.59 1be3 n ARG 43 Ca 0.00 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.55 1be3 n ARG 43 Cb 0.02 -1.29 -0.06 0.00 0.45 0.00 0.00 32.46 31.58 1be3 n ARG 43 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1be3 s VAL 44 N -0.81 4.62 0.00 5.15 1.01 -1.25 -4.90 120.40 124.22 1be3 s VAL 44 Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.33 1be3 s VAL 44 Cb 0.00 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1be3 s VAL 44 CO 0.00 0.49 0.00 -0.24 0.00 0.00 0.00 175.10 175.35 1be3 n SER 45 N 1.51 -0.02 -0.05 3.32 2.88 -1.26 -4.98 113.62 115.02 1be3 n SER 45 Ca -0.08 -0.02 -0.07 0.00 -1.33 0.00 0.00 58.87 57.37 1be3 n SER 45 Cb 0.50 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.90 1be3 n SER 45 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1be3 h SER 46 N -0.02 -0.02 -0.90 -3.46 4.64 -1.99 -3.34 113.55 108.46 1be3 h SER 46 Ca 0.00 -0.48 0.23 0.00 -0.47 0.00 0.00 61.79 61.07 1be3 h SER 46 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.04 1be3 h SER 46 CO 0.00 0.72 0.61 -0.09 -0.87 0.00 0.00 176.83 177.20 1be3 h ARG 47 N -0.99 0.24 -5.21 4.77 9.65 -2.05 -3.46 114.38 117.33 1be3 h ARG 47 Ca -0.00 -0.01 -0.20 0.00 -1.10 0.00 0.00 59.98 58.66 1be3 h ARG 47 Cb 0.50 -0.05 0.16 0.00 -1.39 0.00 0.00 29.97 29.18 1be3 h ARG 47 CO 0.00 0.16 -0.69 0.45 2.80 0.00 0.00 179.97 182.69 1be3 n SER 48 N -4.43 -6.34 -4.56 -3.80 2.88 -1.26 -4.83 113.62 91.29 1be3 n SER 48 Ca 0.19 -0.58 -0.17 0.00 -1.33 0.00 0.00 58.87 56.99 1be3 n SER 48 Cb 0.81 -4.79 -0.06 0.00 -0.75 0.00 0.00 64.21 59.41 1be3 n SER 48 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1be3 s GLN 49 N -4.11 1.70 0.26 -1.46 -0.21 -1.26 -4.76 119.66 109.82 1be3 s GLN 49 Ca 0.37 0.55 0.20 0.00 0.02 0.00 0.00 55.36 56.49 1be3 s GLN 49 Cb -0.05 -4.78 0.88 0.00 1.00 0.00 0.00 33.01 30.07 1be3 s GLN 49 CO 0.67 -4.27 0.91 2.41 -2.12 0.00 0.00 175.29 172.89 1be3 n THR 50 N 8.65 -0.14 0.27 -0.19 -1.04 -1.26 0.37 114.28 120.95 1be3 n THR 50 Ca 0.45 1.04 0.04 0.00 -2.04 0.00 0.00 64.05 63.54 1be3 n THR 50 Cb 0.45 -1.71 0.16 0.00 -1.82 0.00 0.00 70.33 67.41 1be3 n THR 50 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1be3 n GLU 51 N -3.79 0.00 0.00 -2.82 4.71 -1.26 -1.56 120.64 115.92 1be3 n GLU 51 Ca 0.24 0.37 0.13 0.00 -0.01 0.00 0.00 57.16 57.89 1be3 n GLU 51 Cb 0.94 -1.50 0.73 0.00 -1.01 0.00 0.00 31.44 30.60 1be3 n GLU 51 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1be3 n GLU 52 N -1.50 0.58 -0.38 3.49 -0.58 1.19 -4.94 120.64 118.51 1be3 n GLU 52 Ca 0.02 0.02 -0.15 0.00 -0.42 0.00 0.00 57.16 56.63 1be3 n GLU 52 Cb 0.09 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.44 1be3 n GLU 52 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1be3 n ASP 53 N -1.17 0.14 -0.00 1.62 -0.08 -0.60 -4.79 116.55 111.67 1be3 n ASP 53 Ca 0.16 0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.71 1be3 n ASP 53 Cb 0.16 -0.21 0.00 0.00 2.34 0.00 0.00 41.12 43.42 1be3 n ASP 53 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1be3 h THR 55 N 0.00 0.21 -0.04 0.00 2.02 -1.99 -2.98 112.91 110.13 1be3 h THR 55 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1be3 h THR 55 Cb 0.00 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 1be3 h THR 55 CO 0.00 0.00 -0.03 1.21 0.37 0.00 0.00 175.52 177.07 1be3 n GLU 56 N -5.53 -0.02 -0.29 6.66 2.13 -1.26 -0.06 120.64 122.27 1be3 n GLU 56 Ca -0.13 0.64 0.16 0.00 0.66 0.00 0.00 57.16 58.50 1be3 n GLU 56 Cb 0.41 -0.96 0.42 0.00 0.27 0.00 0.00 31.44 31.58 1be3 n GLU 56 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1be3 h GLU 57 N 0.00 0.56 0.05 5.31 3.07 -1.89 0.05 114.58 121.74 1be3 h GLU 57 Ca 0.01 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1be3 h GLU 57 Cb 0.02 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 1be3 h GLU 57 CO -0.04 0.37 -0.03 1.25 -1.40 0.00 0.00 179.01 179.16 1be3 h LEU 58 N 0.58 -0.06 -0.42 1.33 5.85 -0.32 -3.01 115.31 119.26 1be3 h LEU 58 Ca 0.51 -0.26 0.09 0.00 0.84 0.00 0.00 57.88 59.06 1be3 h LEU 58 Cb 1.03 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.99 1be3 h LEU 58 CO -0.26 0.23 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.78 1be3 h LEU 59 N -0.35 -0.75 -0.47 2.25 3.38 0.56 0.28 115.31 120.20 1be3 h LEU 59 Ca -0.01 0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.20 1be3 h LEU 59 Cb 0.32 0.40 -0.09 0.00 0.09 0.00 0.00 40.66 41.37 1be3 h LEU 59 CO 0.01 -0.25 -0.47 0.44 0.09 0.00 0.00 178.44 178.26 1be3 h ASP 60 N -0.14 -1.59 -0.01 -0.43 3.32 -1.36 0.11 116.42 116.32 1be3 h ASP 60 Ca 0.20 0.24 0.02 0.00 0.02 0.00 0.00 57.03 57.50 1be3 h ASP 60 Cb 0.46 0.69 -0.05 0.00 0.22 0.00 0.00 39.33 40.65 1be3 h ASP 60 CO -0.51 -0.37 -0.46 0.15 -1.72 0.00 0.00 179.24 176.34 1be3 h PHE 61 N -0.32 -1.34 -0.89 4.55 3.57 -1.02 -1.52 116.94 119.98 1be3 h PHE 61 Ca 0.13 0.04 0.24 0.00 3.53 0.00 0.00 57.97 61.91 1be3 h PHE 61 Cb 0.58 0.59 -0.14 0.00 2.79 0.00 0.00 35.95 39.77 1be3 h PHE 61 CO -0.69 -0.49 0.27 -0.07 -2.23 0.00 0.00 178.31 175.11 1be3 h LEU 62 N -0.57 0.06 0.33 0.59 3.38 0.10 0.88 115.31 120.08 1be3 h LEU 62 Ca 0.01 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1be3 h LEU 62 Cb 0.61 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1be3 h LEU 62 CO -0.31 -0.14 -0.44 -0.74 0.09 0.00 0.00 178.44 176.91 1be3 h HIS 63 N 0.23 -1.21 -0.76 1.13 2.76 0.16 -1.29 115.15 116.17 1be3 h HIS 63 Ca 0.56 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.73 1be3 h HIS 63 Cb 1.14 0.49 -0.04 0.00 1.55 0.00 0.00 27.41 30.55 1be3 h HIS 63 CO -0.24 -0.57 0.40 0.00 -1.30 0.00 0.00 177.93 176.22 1be3 h ALA 64 N -0.47 1.27 0.16 5.26 0.00 -1.19 -1.30 119.26 123.00 1be3 h ALA 64 Ca -0.02 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1be3 h ALA 64 Cb 0.75 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1be3 h ALA 64 CO -0.13 0.58 -0.27 0.07 0.00 0.00 0.00 179.25 179.51 1be3 h ARG 65 N 1.07 -0.49 -0.36 0.00 0.11 -0.44 -3.15 114.38 111.13 1be3 h ARG 65 Ca 0.27 0.03 -0.03 0.00 0.10 0.00 0.00 59.98 60.35 1be3 h ARG 65 Cb 0.06 0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.23 1be3 h ARG 65 CO -0.04 -0.32 0.10 -0.44 0.10 0.00 0.00 179.97 179.37 1be3 h ASP 66 N -0.50 0.53 -0.35 0.08 3.32 -1.01 -0.93 116.42 117.56 1be3 h ASP 66 Ca 0.02 -0.22 0.04 0.00 0.02 0.00 0.00 57.03 56.89 1be3 h ASP 66 Cb 0.51 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.86 1be3 h ASP 66 CO -0.12 0.61 -0.35 -0.74 -1.72 0.00 0.00 179.24 176.91 1be3 h HIS 67 N 0.42 -1.09 -0.45 4.55 -0.00 -1.24 0.15 115.15 117.49 1be3 h HIS 67 Ca 0.11 0.06 0.05 0.00 -0.00 0.00 0.00 60.37 60.59 1be3 h HIS 67 Cb 0.28 0.52 -0.08 0.00 -0.00 0.00 0.00 27.41 28.14 1be3 h HIS 67 CO 0.01 -0.28 -0.47 0.00 -0.00 0.00 0.00 177.93 177.19 1be3 n VAL 69 N -4.90 -0.26 -0.34 0.00 0.31 -0.03 -1.77 118.33 111.34 1be3 n VAL 69 Ca -0.02 1.55 0.09 0.00 -0.01 0.00 0.00 64.34 65.95 1be3 n VAL 69 Cb 0.27 -1.97 0.19 0.00 -0.91 0.00 0.00 33.84 31.41 1be3 n VAL 69 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1be3 n ALA 70 N -3.09 0.33 -0.12 3.52 0.00 -0.76 0.13 120.51 120.52 1be3 n ALA 70 Ca 0.01 1.03 -0.13 0.00 0.00 0.00 0.00 53.44 54.35 1be3 n ALA 70 Cb 0.10 -0.67 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 1be3 n ALA 70 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1be3 h HIS 71 N 0.00 1.11 0.14 0.00 3.86 -1.41 -3.16 115.15 115.69 1be3 h HIS 71 Ca 0.50 -0.33 -0.32 0.00 -1.16 0.00 0.00 60.37 59.06 1be3 h HIS 71 Cb 0.88 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 29.11 1be3 h HIS 71 CO -0.63 1.15 -1.59 0.87 0.86 0.00 0.00 177.93 178.59 1be3 h LYS 72 N 0.77 0.30 0.00 2.45 1.57 -1.18 -3.36 116.57 117.13 1be3 h LYS 72 Ca 0.07 -0.52 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 1be3 h LYS 72 Cb 0.96 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 1be3 h LYS 72 CO 0.09 1.18 -0.11 1.37 -0.57 0.00 0.00 179.45 181.42 1be3 h LEU 73 N 0.08 0.00 -1.00 2.94 -0.00 0.11 -1.81 115.31 115.63 1be3 h LEU 73 Ca -0.27 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.54 1be3 h LEU 73 Cb 2.05 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.69 1be3 h LEU 73 CO 0.17 0.11 -0.06 -0.26 -0.00 0.00 0.00 178.44 178.40 1be3 h PHE 74 N 0.00 0.70 0.00 0.17 -1.00 -1.69 -2.80 116.94 112.32 1be3 h PHE 74 Ca -0.00 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.68 1be3 h PHE 74 Cb 0.19 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1be3 h PHE 74 CO 0.00 0.70 0.00 -1.71 -1.61 0.00 0.00 178.31 175.69 1be3 n ASN 75 N -4.21 0.00 0.03 2.17 5.15 -0.68 -2.78 115.26 114.94 1be3 n ASN 75 Ca 0.02 0.01 0.11 0.00 -0.60 0.00 0.00 54.58 54.12 1be3 n ASN 75 Cb 0.31 -0.31 -0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1be3 n ASN 75 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1be3 n SER 76 N -1.31 0.59 -3.13 1.20 7.64 -1.06 -5.00 113.62 112.55 1be3 n SER 76 Ca 0.10 -0.16 -0.09 0.00 1.01 0.00 0.00 58.87 59.74 1be3 n SER 76 Cb 0.19 0.88 0.04 0.00 -1.01 0.00 0.00 64.21 64.31 1be3 n SER 76 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1be3 n LEU 77 N -2.05 0.00 -0.10 -3.43 4.77 -1.12 -5.02 117.00 110.05 1be3 n LEU 77 Ca 0.01 -0.96 0.01 0.00 -0.03 0.00 0.00 56.01 55.05 1be3 n LEU 77 Cb 0.46 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1be3 n LEU 77 CO 0.41 -0.64 0.29 1.17 -1.33 0.00 0.00 177.39 177.29