#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nu1 n GLU 10 N 0.00 0.51 -3.52 5.31 2.13 -1.26 -5.05 120.64 118.76 1nu1 n GLU 10 Ca 0.00 0.08 0.03 0.00 0.66 0.00 0.00 57.16 57.93 1nu1 n GLU 10 Cb 0.00 -1.31 -0.05 0.00 0.27 0.00 0.00 31.44 30.34 1nu1 n GLU 10 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1nu1 s GLU 11 N -2.31 0.06 0.00 5.31 2.12 -1.26 -5.10 118.70 117.52 1nu1 s GLU 11 Ca -0.20 0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.24 1nu1 s GLU 11 Cb 0.05 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.47 1nu1 s GLU 11 CO 0.37 -0.01 0.00 0.39 -0.54 0.00 0.00 175.26 175.47 1nu1 n GLU 12 N 3.53 0.00 -4.10 4.30 -0.58 -1.26 -5.15 120.64 117.38 1nu1 n GLU 12 Ca -0.14 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.27 1nu1 n GLU 12 Cb 0.56 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 31.27 1nu1 n GLU 12 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1nu1 s LEU 13 N 0.00 2.48 -0.85 -4.62 1.43 -1.26 -5.07 118.68 110.78 1nu1 s LEU 13 Ca 0.00 -0.85 -0.25 0.00 -1.03 0.00 0.00 54.13 52.00 1nu1 s LEU 13 Cb 0.00 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.75 1nu1 s LEU 13 CO 0.00 -0.05 1.56 -0.69 0.23 0.00 0.00 176.35 177.40 1nu1 s VAL 14 N 1.24 3.68 0.02 -1.59 1.01 -1.26 -4.95 120.40 118.55 1nu1 s VAL 14 Ca 0.01 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 1nu1 s VAL 14 Cb -0.15 -4.64 -0.06 0.00 0.00 0.00 0.00 36.38 31.53 1nu1 s VAL 14 CO -0.11 -1.56 1.42 -1.81 0.00 0.00 0.00 175.10 173.04 1nu1 s ASP 15 N 5.71 6.83 0.30 3.32 1.11 -1.26 -4.91 116.67 127.76 1nu1 s ASP 15 Ca 0.51 2.17 0.06 0.00 0.18 0.00 0.00 52.55 55.47 1nu1 s ASP 15 Cb -0.06 -2.56 0.48 0.00 1.07 0.00 0.00 42.92 41.85 1nu1 s ASP 15 CO 0.04 -0.72 1.72 -0.65 1.18 0.00 0.00 175.17 176.74 1nu1 h PRO 16 N 7.72 0.26 -0.20 8.23 0.11 -1.98 0.09 132.00 146.24 1nu1 h PRO 16 Ca -0.39 -0.12 0.04 0.00 0.11 0.00 0.00 66.00 65.64 1nu1 h PRO 16 Cb 1.19 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1nu1 h PRO 16 CO 0.90 0.61 -0.05 1.25 -0.21 0.00 0.00 178.00 180.49 1nu1 h LEU 17 N 0.22 -0.18 -0.33 2.35 5.85 -1.99 0.18 115.31 121.41 1nu1 h LEU 17 Ca 0.02 0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.65 1nu1 h LEU 17 Cb 0.77 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1nu1 h LEU 17 CO 0.06 -0.06 -0.72 0.74 -0.34 0.00 0.00 178.44 178.12 1nu1 h THR 18 N 0.00 1.36 -0.49 1.05 2.02 -1.87 0.56 112.91 115.55 1nu1 h THR 18 Ca 0.10 -2.59 0.05 0.00 0.77 0.00 0.00 66.41 64.74 1nu1 h THR 18 Cb 0.15 2.46 -0.05 0.00 -1.74 0.00 0.00 68.15 68.97 1nu1 h THR 18 CO -0.21 0.70 0.22 0.74 0.37 0.00 0.00 175.52 177.35 1nu1 h THR 19 N 0.00 0.92 0.09 3.16 2.02 -0.38 -3.01 112.91 115.71 1nu1 h THR 19 Ca -0.01 -0.15 -0.24 0.00 0.77 0.00 0.00 66.41 66.79 1nu1 h THR 19 Cb 1.40 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1nu1 h THR 19 CO 0.09 0.08 -1.21 0.58 0.37 0.00 0.00 175.52 175.43 1nu1 h VAL 20 N 0.44 1.11 -0.99 3.16 2.07 -0.88 -3.38 116.25 117.78 1nu1 h VAL 20 Ca 0.22 -2.36 0.35 0.00 0.82 0.00 0.00 66.70 65.73 1nu1 h VAL 20 Cb 0.17 2.73 -0.16 0.00 -1.52 0.00 0.00 31.29 32.51 1nu1 h VAL 20 CO -0.18 0.63 0.50 0.03 0.02 0.00 0.00 177.57 178.57 1nu1 h ARG 21 N -0.49 0.17 0.00 1.57 3.08 0.10 -1.43 114.38 117.38 1nu1 h ARG 21 Ca -0.27 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1nu1 h ARG 21 Cb 1.60 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.61 1nu1 h ARG 21 CO 0.01 0.12 0.00 0.39 -1.07 0.00 0.00 179.97 179.42 1nu1 n GLU 22 N -5.17 0.00 -0.07 0.04 1.02 -1.14 0.11 120.64 115.44 1nu1 n GLU 22 Ca 0.33 0.39 0.25 0.00 -0.02 0.00 0.00 57.16 58.11 1nu1 n GLU 22 Cb 1.06 -1.30 0.70 0.00 -0.02 0.00 0.00 31.44 31.88 1nu1 n GLU 22 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1nu1 h GLN 23 N 0.00 0.00 0.11 3.49 4.15 -1.65 0.34 115.11 121.55 1nu1 h GLN 23 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1nu1 h GLN 23 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1nu1 h GLN 23 CO 0.00 0.00 -0.05 0.00 -1.93 0.00 0.00 178.83 176.85 1nu1 h GLU 25 N -1.02 0.00 0.00 0.00 4.81 0.26 -2.73 114.58 115.90 1nu1 h GLU 25 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1nu1 h GLU 25 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1nu1 h GLU 25 CO 0.02 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.34 1nu1 n GLN 26 N -3.62 0.00 0.00 1.92 6.02 0.10 -4.46 117.38 117.35 1nu1 n GLN 26 Ca 0.03 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1nu1 n GLN 26 Cb 0.44 -0.81 0.00 0.00 1.02 0.00 0.00 30.24 30.89 1nu1 n GLN 26 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1nu1 n LEU 27 N -0.32 0.00 0.00 1.08 4.77 -1.03 -3.62 117.00 117.88 1nu1 n LEU 27 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1nu1 n LEU 27 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1nu1 n LEU 27 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.27 1nu1 n GLU 28 N 0.00 0.00 -0.20 3.23 2.13 -1.26 -0.31 120.64 124.23 1nu1 n GLU 28 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1nu1 n GLU 28 Cb 0.00 0.00 0.11 0.00 0.27 0.00 0.00 31.44 31.82 1nu1 n GLU 28 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1nu1 h LYS 29 N 0.00 0.22 -0.24 5.31 1.57 -1.96 -0.92 116.57 120.55 1nu1 h LYS 29 Ca 0.00 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1nu1 h LYS 29 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1nu1 h LYS 29 CO 0.00 0.15 -0.04 0.00 -0.57 0.00 0.00 179.45 178.99 1nu1 h VAL 31 N 0.36 0.74 -0.37 0.00 2.07 -1.03 0.36 116.25 118.39 1nu1 h VAL 31 Ca 0.08 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.43 1nu1 h VAL 31 Cb 0.31 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1nu1 h VAL 31 CO 0.01 0.00 -0.42 0.11 0.02 0.00 0.00 177.57 177.29 1nu1 h LYS 32 N -0.10 0.93 -0.25 1.57 1.57 -1.34 0.51 116.57 119.47 1nu1 h LYS 32 Ca 0.07 -0.51 -0.11 0.00 -1.87 0.00 0.00 60.65 58.23 1nu1 h LYS 32 Cb 0.21 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1nu1 h LYS 32 CO -0.17 1.16 -0.31 0.00 -0.57 0.00 0.00 179.45 179.56 1nu1 h ALA 33 N 0.76 1.00 -0.01 3.86 0.00 -1.18 0.12 119.26 123.81 1nu1 h ALA 33 Ca 0.05 -0.38 -0.20 0.00 0.00 0.00 0.00 54.91 54.38 1nu1 h ALA 33 Cb 1.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1nu1 h ALA 33 CO 0.10 0.60 -0.86 -0.09 0.00 0.00 0.00 179.25 179.00 1nu1 h ARG 34 N 0.44 0.24 0.28 0.00 2.43 -0.15 -2.27 114.38 115.36 1nu1 h ARG 34 Ca 0.05 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 1nu1 h ARG 34 Cb 0.76 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1nu1 h ARG 34 CO 0.06 0.97 -0.13 1.49 -1.51 0.00 0.00 179.97 180.84 1nu1 h GLU 35 N 0.14 -0.36 0.00 0.20 4.81 0.58 0.00 114.58 119.95 1nu1 h GLU 35 Ca -0.05 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1nu1 h GLU 35 Cb 1.48 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.94 1nu1 h GLU 35 CO 0.14 -0.13 -0.03 0.00 -0.73 0.00 0.00 179.01 178.25 1nu1 h ARG 36 N -0.53 0.00 0.52 1.92 3.08 -0.84 -0.41 114.38 118.12 1nu1 h ARG 36 Ca -0.04 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1nu1 h ARG 36 Cb 0.39 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.45 1nu1 h ARG 36 CO 0.06 0.03 -0.25 1.25 -1.07 0.00 0.00 179.97 180.00 1nu1 h LEU 37 N 0.00 -0.59 -0.87 3.04 6.46 -0.77 -1.79 115.31 120.80 1nu1 h LEU 37 Ca -0.00 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.81 1nu1 h LEU 37 Cb 0.09 0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 40.12 1nu1 h LEU 37 CO 0.00 -0.23 0.56 -0.33 -0.62 0.00 0.00 178.44 177.83 1nu1 h GLU 38 N -1.07 1.08 0.09 1.25 5.08 -0.86 0.31 114.58 120.47 1nu1 h GLU 38 Ca -0.07 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1nu1 h GLU 38 Cb 0.53 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 1nu1 h GLU 38 CO 0.12 0.72 -0.39 -0.07 -1.00 0.00 0.00 179.01 178.38 1nu1 h LEU 39 N 1.11 -1.16 -1.02 1.33 3.38 -1.13 -1.86 115.31 115.96 1nu1 h LEU 39 Ca 0.34 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.42 1nu1 h LEU 39 Cb -0.04 0.44 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1nu1 h LEU 39 CO -0.10 -0.46 0.36 0.00 0.09 0.00 0.00 178.44 178.32 1nu1 h ASP 41 N 1.05 -0.91 -0.69 0.00 3.32 0.37 -1.61 116.42 117.95 1nu1 h ASP 41 Ca 0.26 0.13 0.13 0.00 0.02 0.00 0.00 57.03 57.57 1nu1 h ASP 41 Cb 0.10 0.39 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 1nu1 h ASP 41 CO -0.03 -0.14 0.47 -0.33 -1.72 0.00 0.00 179.24 177.49 1nu1 h GLU 42 N -0.08 0.37 0.11 3.56 5.08 -1.23 -2.36 114.58 120.04 1nu1 h GLU 42 Ca 0.05 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1nu1 h GLU 42 Cb 0.22 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1nu1 h GLU 42 CO -0.35 0.25 -0.05 0.00 -1.00 0.00 0.00 179.01 177.86 1nu1 h ARG 43 N 0.39 -0.14 -0.47 2.33 3.08 -1.17 -0.94 114.38 117.46 1nu1 h ARG 43 Ca 0.33 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.39 1nu1 h ARG 43 Cb 0.77 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 1nu1 h ARG 43 CO -0.10 -0.03 0.26 0.28 -1.07 0.00 0.00 179.97 179.31 1nu1 h VAL 44 N -0.21 1.14 -0.18 2.04 2.07 -1.18 -0.91 116.25 119.02 1nu1 h VAL 44 Ca -0.01 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 1nu1 h VAL 44 Cb 0.17 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1nu1 h VAL 44 CO 0.02 0.16 -0.22 0.28 0.02 0.00 0.00 177.57 177.83 1nu1 h SER 45 N 0.65 0.31 -0.01 0.57 0.02 -1.07 -3.06 113.55 110.96 1nu1 h SER 45 Ca 0.17 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1nu1 h SER 45 Cb 0.01 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 1nu1 h SER 45 CO -0.03 0.54 0.00 -1.20 -1.14 0.00 0.00 176.83 175.01 1nu1 n SER 46 N -4.17 1.57 -1.73 3.07 7.64 -0.35 -4.91 113.62 114.74 1nu1 n SER 46 Ca -0.01 -2.01 -0.05 0.00 1.01 0.00 0.00 58.87 57.82 1nu1 n SER 46 Cb 0.35 -0.50 -0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1nu1 n SER 46 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1nu1 n ARG 47 N 0.13 0.35 0.03 1.43 1.74 -1.16 -5.06 116.66 114.13 1nu1 n ARG 47 Ca 0.00 -0.98 0.00 0.00 -0.77 0.00 0.00 57.85 56.11 1nu1 n ARG 47 Cb 0.33 1.05 0.00 0.00 -1.02 0.00 0.00 32.46 32.82 1nu1 n ARG 47 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1nu1 n SER 48 N -1.59 0.13 -0.72 0.55 2.88 -1.26 -4.83 113.62 108.78 1nu1 n SER 48 Ca -0.01 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1nu1 n SER 48 Cb 0.23 0.02 0.03 0.00 -0.75 0.00 0.00 64.21 63.73 1nu1 n SER 48 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1nu1 n GLN 49 N -2.80 1.25 -3.14 -1.46 7.27 -1.26 -4.84 117.38 112.40 1nu1 n GLN 49 Ca 0.00 -0.24 -0.32 0.00 0.07 0.00 0.00 57.00 56.52 1nu1 n GLN 49 Cb 0.00 -1.45 -0.05 0.00 2.41 0.00 0.00 30.24 31.14 1nu1 n GLN 49 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 1nu1 s THR 50 N -0.93 4.76 0.00 1.69 -1.32 -1.26 -4.97 115.64 113.61 1nu1 s THR 50 Ca 0.04 0.75 0.00 0.00 -1.21 0.00 0.00 61.69 61.27 1nu1 s THR 50 Cb 0.03 -3.64 0.00 0.00 -1.51 0.00 0.00 72.50 67.38 1nu1 s THR 50 CO 0.01 -0.24 0.10 1.21 -2.21 0.00 0.00 174.62 173.48 1nu1 n GLU 51 N -0.56 0.53 -2.06 7.08 2.13 -1.26 -4.99 120.64 121.52 1nu1 n GLU 51 Ca 0.02 -0.10 -0.27 0.00 0.66 0.00 0.00 57.16 57.48 1nu1 n GLU 51 Cb 0.53 -0.48 -0.05 0.00 0.27 0.00 0.00 31.44 31.71 1nu1 n GLU 51 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1nu1 s GLU 52 N -0.10 2.58 0.00 5.31 2.12 -1.26 -4.88 118.70 122.47 1nu1 s GLU 52 Ca 0.00 -0.35 0.00 0.00 0.36 0.00 0.00 54.97 54.98 1nu1 s GLU 52 Cb 0.00 -5.08 0.00 0.00 0.26 0.00 0.00 34.13 29.31 1nu1 s GLU 52 CO 0.00 -3.38 0.54 -0.25 -0.54 0.00 0.00 175.26 171.63 1nu1 n ASP 53 N 13.86 0.53 -0.96 -1.70 8.00 -1.26 -4.82 116.55 130.20 1nu1 n ASP 53 Ca 0.40 -1.61 -0.10 0.00 0.71 0.00 0.00 54.79 54.20 1nu1 n ASP 53 Cb 0.47 -0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 41.27 1nu1 n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nu1 h THR 55 N 0.00 0.85 -0.79 0.00 2.02 -1.99 -3.26 112.91 109.74 1nu1 h THR 55 Ca -0.20 -0.12 0.16 0.00 0.77 0.00 0.00 66.41 67.02 1nu1 h THR 55 Cb 0.85 0.93 -0.10 0.00 -1.74 0.00 0.00 68.15 68.09 1nu1 h THR 55 CO 0.29 0.03 0.31 -0.08 0.37 0.00 0.00 175.52 176.44 1nu1 h GLU 56 N -0.30 0.41 -0.15 6.66 4.81 -2.01 -1.72 114.58 122.28 1nu1 h GLU 56 Ca -0.02 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 1nu1 h GLU 56 Cb 0.23 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1nu1 h GLU 56 CO 0.04 0.27 -0.35 0.93 -0.73 0.00 0.00 179.01 179.17 1nu1 h GLU 57 N 0.42 0.31 0.16 1.92 3.07 -1.93 -2.32 114.58 116.21 1nu1 h GLU 57 Ca 0.44 -0.13 0.01 0.00 -0.50 0.00 0.00 59.36 59.18 1nu1 h GLU 57 Cb 0.72 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.60 1nu1 h GLU 57 CO -0.44 0.62 -0.17 1.25 -1.40 0.00 0.00 179.01 178.87 1nu1 h LEU 58 N 0.26 -0.46 -0.26 1.33 5.85 -1.40 -2.83 115.31 117.82 1nu1 h LEU 58 Ca 0.03 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.86 1nu1 h LEU 58 Cb 0.74 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 1nu1 h LEU 58 CO 0.06 -0.25 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.71 1nu1 h LEU 59 N -0.36 -0.42 -1.40 2.25 3.38 -1.35 -0.95 115.31 116.46 1nu1 h LEU 59 Ca 0.01 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.14 1nu1 h LEU 59 Cb 0.35 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1nu1 h LEU 59 CO -0.05 -0.16 0.47 0.44 0.09 0.00 0.00 178.44 179.22 1nu1 h ASP 60 N -0.09 0.64 -0.39 -0.43 5.19 -1.40 0.14 116.42 120.08 1nu1 h ASP 60 Ca 0.14 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.47 1nu1 h ASP 60 Cb 0.30 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 1nu1 h ASP 60 CO -0.32 0.41 -0.08 0.15 -3.12 0.00 0.00 179.24 176.29 1nu1 h PHE 61 N 0.73 0.83 0.62 4.55 3.57 -1.03 -2.82 116.94 123.39 1nu1 h PHE 61 Ca 0.31 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1nu1 h PHE 61 Cb 0.27 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 38.81 1nu1 h PHE 61 CO -0.00 0.87 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.58 1nu1 h LEU 62 N 0.55 -0.70 -0.51 0.59 3.38 0.28 -1.89 115.31 117.00 1nu1 h LEU 62 Ca 0.10 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1nu1 h LEU 62 Cb 0.59 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.44 1nu1 h LEU 62 CO 0.04 -0.46 -0.52 -0.74 0.09 0.00 0.00 178.44 176.84 1nu1 h HIS 63 N -0.89 -1.62 -0.37 1.13 2.76 -0.85 2.96 115.15 118.27 1nu1 h HIS 63 Ca -0.08 0.09 0.06 0.00 -2.20 0.00 0.00 60.37 58.24 1nu1 h HIS 63 Cb 0.66 0.77 -0.06 0.00 1.55 0.00 0.00 27.41 30.34 1nu1 h HIS 63 CO -0.02 -0.43 0.03 0.00 -1.30 0.00 0.00 177.93 176.21 1nu1 h ALA 64 N -0.02 0.35 0.72 5.26 0.00 -1.52 0.98 119.26 125.04 1nu1 h ALA 64 Ca 0.09 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1nu1 h ALA 64 Cb 0.51 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1nu1 h ALA 64 CO -0.63 -0.38 -0.35 -0.09 0.00 0.00 0.00 179.25 177.81 1nu1 h ARG 65 N 0.13 -0.93 -0.92 0.00 1.12 -0.46 -2.80 114.38 110.52 1nu1 h ARG 65 Ca 0.18 0.06 0.18 0.00 -1.11 0.00 0.00 59.98 59.29 1nu1 h ARG 65 Cb 0.24 0.21 -0.08 0.00 -0.01 0.00 0.00 29.97 30.33 1nu1 h ARG 65 CO -0.28 -0.60 0.59 -0.44 -3.11 0.00 0.00 179.97 176.14 1nu1 h ASP 66 N -1.13 0.59 0.94 -3.80 3.32 0.61 0.45 116.42 117.40 1nu1 h ASP 66 Ca -0.10 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 1nu1 h ASP 66 Cb 0.77 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.26 1nu1 h ASP 66 CO 0.16 0.26 -0.49 -0.74 -1.72 0.00 0.00 179.24 176.71 1nu1 h HIS 67 N 0.60 -1.28 -0.02 4.55 2.76 0.99 -2.42 115.15 120.33 1nu1 h HIS 67 Ca 0.49 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.64 1nu1 h HIS 67 Cb 0.93 0.43 -0.00 0.00 1.55 0.00 0.00 27.41 30.33 1nu1 h HIS 67 CO -0.00 -0.77 0.05 0.00 -1.30 0.00 0.00 177.93 175.91 1nu1 h VAL 69 N 0.00 1.27 -0.45 0.00 2.07 -0.59 -2.88 116.25 115.67 1nu1 h VAL 69 Ca 0.01 -1.37 -0.04 0.00 0.82 0.00 0.00 66.70 66.12 1nu1 h VAL 69 Cb 0.10 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1nu1 h VAL 69 CO -0.00 0.47 0.14 0.00 0.02 0.00 0.00 177.57 178.20 1nu1 h ALA 70 N 0.83 0.58 -0.12 1.67 0.00 -0.39 0.96 119.26 122.79 1nu1 h ALA 70 Ca 0.09 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1nu1 h ALA 70 Cb 0.79 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1nu1 h ALA 70 CO 0.07 0.23 -0.37 1.25 0.00 0.00 0.00 179.25 180.43 1nu1 h HIS 71 N 0.58 0.29 0.06 0.00 2.76 -1.59 -3.33 115.15 113.92 1nu1 h HIS 71 Ca 0.14 -0.07 -0.38 0.00 -2.20 0.00 0.00 60.37 57.86 1nu1 h HIS 71 Cb 0.26 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.11 1nu1 h HIS 71 CO 0.01 0.60 -2.24 1.63 -1.30 0.00 0.00 177.93 176.62 1nu1 n LYS 72 N -4.06 0.70 0.00 5.26 5.02 -1.04 -4.86 118.16 119.18 1nu1 n LYS 72 Ca -0.01 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1nu1 n LYS 72 Cb 0.45 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1nu1 n LYS 72 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1nu1 n LEU 73 N -3.39 0.00 -0.04 -0.35 7.94 0.33 -3.84 117.00 117.65 1nu1 n LEU 73 Ca -0.39 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.55 1nu1 n LEU 73 Cb 1.01 0.00 0.06 0.00 0.53 0.00 0.00 43.42 45.03 1nu1 n LEU 73 CO 0.33 0.00 0.17 0.49 -1.11 0.00 0.00 177.39 177.27 1nu1 n PHE 74 N 0.00 0.00 -0.21 1.96 3.01 -1.26 -2.29 117.46 118.66 1nu1 n PHE 74 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.48 1nu1 n PHE 74 Cb 0.00 -0.04 0.13 0.00 -0.01 0.00 0.00 39.48 39.56 1nu1 n PHE 74 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1nu1 h ASN 75 N 0.00 0.08 0.19 4.37 4.21 -1.89 -3.04 115.58 119.50 1nu1 h ASN 75 Ca 0.07 0.11 -0.31 0.00 1.21 0.00 0.00 56.30 57.38 1nu1 h ASN 75 Cb 0.40 0.13 0.02 0.00 -1.12 0.00 0.00 38.32 37.75 1nu1 h ASN 75 CO -0.00 0.04 -1.47 0.28 -1.29 0.00 0.00 177.43 174.99 1nu1 h SER 76 N 0.31 0.63 -1.20 5.81 0.02 -1.71 -3.47 113.55 113.94 1nu1 h SER 76 Ca 0.34 -0.92 -0.73 0.00 -0.84 0.00 0.00 61.79 59.64 1nu1 h SER 76 Cb 0.50 -0.20 0.07 0.00 0.14 0.00 0.00 62.40 62.90 1nu1 h SER 76 CO -0.40 1.68 -0.05 0.18 -1.14 0.00 0.00 176.83 177.11 1nu1 n LEU 77 N -3.78 0.00 -0.35 5.07 4.77 -1.15 -5.19 117.00 116.38 1nu1 n LEU 77 Ca -0.21 1.15 0.04 0.00 -0.03 0.00 0.00 56.01 56.96 1nu1 n LEU 77 Cb 1.02 -0.99 0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1nu1 n LEU 77 CO 0.52 -2.06 0.39 1.17 -1.33 0.00 0.00 177.39 176.08