#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fpv s ALA 17 N 0.00 2.09 0.22 2.33 0.00 -1.26 -5.11 121.76 120.03 3fpv s ALA 17 Ca 0.00 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 51.01 3fpv s ALA 17 Cb 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 3fpv s ALA 17 CO 0.00 0.40 0.20 0.00 0.00 0.00 0.00 175.76 176.36 3fpv s ALA 18 N -0.14 3.64 0.07 0.00 0.00 -1.26 -5.10 121.76 118.97 3fpv s ALA 18 Ca -0.04 -1.33 -0.21 0.00 0.00 0.00 0.00 51.96 50.38 3fpv s ALA 18 Cb -0.14 -1.39 0.05 0.00 0.00 0.00 0.00 23.12 21.65 3fpv s ALA 18 CO 0.04 0.33 0.51 0.50 0.00 0.00 0.00 175.76 177.13 3fpv s ARG 19 N -3.63 1.06 0.53 0.00 3.52 -1.26 -4.94 118.95 114.22 3fpv s ARG 19 Ca 0.33 -0.32 0.19 0.00 -0.13 0.00 0.00 55.73 55.80 3fpv s ARG 19 Cb -0.09 0.48 1.37 0.00 -1.56 0.00 0.00 34.95 35.16 3fpv s ARG 19 CO 0.25 -0.39 2.16 0.78 -0.81 0.00 0.00 175.30 177.29 3fpv h GLY 20 N 2.67 0.00 2.00 8.12 0.00 -1.99 -2.97 103.07 110.90 3fpv h GLY 20 Ca -0.31 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3fpv h GLY 20 CO 0.42 0.00 -0.05 -1.33 0.00 0.00 0.00 176.54 175.58 3fpv h GLY 21 N 0.06 0.00 -0.41 4.60 0.00 -2.05 -2.81 103.07 102.47 3fpv h GLY 21 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fpv h GLY 21 CO 0.00 0.00 -0.04 -1.84 0.00 0.00 0.00 176.54 174.67 3fpv n GLU 22 N -3.14 0.63 -2.34 4.80 0.28 -1.12 -4.89 120.64 114.86 3fpv n GLU 22 Ca 0.02 -0.73 -0.32 0.00 -0.16 0.00 0.00 57.16 55.97 3fpv n GLU 22 Cb 0.40 -1.06 -0.03 0.00 1.43 0.00 0.00 31.44 32.19 3fpv n GLU 22 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3fpv s LEU 23 N -0.75 3.57 0.16 -1.84 1.43 -1.06 -4.96 118.68 115.23 3fpv s LEU 23 Ca 0.06 1.51 -0.08 0.00 -1.03 0.00 0.00 54.13 54.60 3fpv s LEU 23 Cb 0.05 -4.47 -0.01 0.00 0.03 0.00 0.00 46.19 41.79 3fpv s LEU 23 CO 0.10 -0.62 0.25 0.28 0.23 0.00 0.00 176.35 176.58 3fpv s THR 24 N -2.70 0.07 0.15 5.49 -1.32 -1.26 -5.00 115.64 111.06 3fpv s THR 24 Ca 0.58 -1.49 0.06 0.00 -1.21 0.00 0.00 61.69 59.63 3fpv s THR 24 Cb -0.10 -1.90 -0.04 0.00 -1.51 0.00 0.00 72.50 68.95 3fpv s THR 24 CO 0.35 -0.31 0.01 -1.10 -2.21 0.00 0.00 174.62 171.36 3fpv s GLN 25 N -3.99 2.47 0.10 7.08 -1.52 -1.26 -5.14 119.66 117.40 3fpv s GLN 25 Ca 0.19 -1.01 0.00 0.00 -1.95 0.00 0.00 55.36 52.59 3fpv s GLN 25 Cb 0.04 -2.43 -0.04 0.00 -0.22 0.00 0.00 33.01 30.36 3fpv s GLN 25 CO 0.01 0.48 -0.02 -1.54 -0.25 0.00 0.00 175.29 173.98 3fpv s SER 26 N -2.76 0.70 -0.02 5.90 1.04 -1.26 -5.17 113.70 112.13 3fpv s SER 26 Ca 0.27 -1.07 0.05 0.00 0.48 0.00 0.00 55.95 55.67 3fpv s SER 26 Cb -0.10 0.19 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 3fpv s SER 26 CO 0.19 -0.59 -0.15 -0.89 0.98 0.00 0.00 173.24 172.78 3fpv s THR 27 N -3.84 3.04 0.03 2.02 2.01 -1.26 -5.12 115.64 112.51 3fpv s THR 27 Ca 0.14 -0.85 -0.06 0.00 0.31 0.00 0.00 61.69 61.23 3fpv s THR 27 Cb 0.07 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 3fpv s THR 27 CO -0.04 0.51 0.10 -1.00 -0.69 0.00 0.00 174.62 173.50 3fpv s HIS 28 N -0.81 0.16 0.35 4.92 3.76 -1.26 -4.78 115.29 117.62 3fpv s HIS 28 Ca 0.13 -0.40 -0.27 0.00 -0.15 0.00 0.00 55.06 54.37 3fpv s HIS 28 Cb -0.11 -0.12 -0.12 0.00 1.11 0.00 0.00 32.58 33.35 3fpv s HIS 28 CO 0.02 -0.34 1.20 1.28 -0.85 0.00 0.00 174.74 176.06 3fpv n LEU 29 N 0.99 3.14 -4.66 0.89 4.77 -1.26 -5.04 117.00 115.83 3fpv n LEU 29 Ca -0.20 1.17 -0.31 0.00 -0.03 0.00 0.00 56.01 56.64 3fpv n LEU 29 Cb 0.57 -1.43 0.17 0.00 -2.33 0.00 0.00 43.42 40.40 3fpv n LEU 29 CO 0.22 -0.80 0.66 0.42 -1.33 0.00 0.00 177.39 176.56 3fpv s THR 30 N -1.12 2.26 0.21 -5.08 -4.23 -1.26 -4.89 115.64 101.53 3fpv s THR 30 Ca 0.57 0.08 -0.09 0.00 -1.18 0.00 0.00 61.69 61.08 3fpv s THR 30 Cb -0.59 -2.19 0.15 0.00 1.34 0.00 0.00 72.50 71.20 3fpv s THR 30 CO 0.61 -0.11 1.82 0.25 -0.54 0.00 0.00 174.62 176.65 3fpv h LEU 31 N -1.86 0.61 -0.62 4.79 5.85 -1.98 -1.78 115.31 120.32 3fpv h LEU 31 Ca -0.46 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.33 3fpv h LEU 31 Cb 1.27 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 3fpv h LEU 31 CO 0.45 0.40 0.34 -0.08 -0.34 0.00 0.00 178.44 179.20 3fpv h GLU 32 N 0.74 0.62 -0.35 1.25 4.57 -1.99 0.16 114.58 119.59 3fpv h GLU 32 Ca 0.30 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 3fpv h GLU 32 Cb 0.14 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 3fpv h GLU 32 CO -0.16 0.41 0.17 0.00 -1.18 0.00 0.00 179.01 178.25 3fpv h ALA 33 N 1.32 0.45 -0.32 2.92 0.00 -1.88 -0.58 119.26 121.17 3fpv h ALA 33 Ca 0.27 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 3fpv h ALA 33 Cb 0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3fpv h ALA 33 CO -0.17 0.00 -0.47 0.00 0.00 0.00 0.00 179.25 178.62 3fpv h ALA 34 N 1.03 0.56 -0.48 0.00 0.00 -0.84 -1.30 119.26 118.23 3fpv h ALA 34 Ca 0.12 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3fpv h ALA 34 Cb 0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3fpv h ALA 34 CO -0.02 0.68 0.24 1.15 0.00 0.00 0.00 179.25 181.31 3fpv h THR 35 N 0.68 1.18 -0.57 0.00 2.02 -0.68 -1.87 112.91 113.68 3fpv h THR 35 Ca 0.04 -0.49 0.05 0.00 0.77 0.00 0.00 66.41 66.78 3fpv h THR 35 Cb 1.06 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 68.05 3fpv h THR 35 CO 0.11 0.20 0.29 0.50 0.37 0.00 0.00 175.52 176.99 3fpv h LYS 36 N 0.63 0.54 -0.23 6.66 3.64 -0.80 -1.53 116.57 125.48 3fpv h LYS 36 Ca 0.17 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.43 3fpv h LYS 36 Cb 0.09 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3fpv h LYS 36 CO -0.02 0.36 -0.18 0.00 -2.27 0.00 0.00 179.45 177.33 3fpv h ALA 37 N 1.30 0.33 -0.74 5.00 0.00 -1.14 -2.91 119.26 121.10 3fpv h ALA 37 Ca 0.25 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3fpv h ALA 37 Cb 0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3fpv h ALA 37 CO -0.17 0.24 0.37 0.00 0.00 0.00 0.00 179.25 179.69 3fpv h ALA 38 N 0.68 0.95 -0.18 0.00 0.00 -1.20 -2.29 119.26 117.22 3fpv h ALA 38 Ca 0.04 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3fpv h ALA 38 Cb 0.72 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3fpv h ALA 38 CO 0.05 0.50 -0.31 0.00 0.00 0.00 0.00 179.25 179.49 3fpv h ARG 39 N 1.03 0.36 0.00 0.00 3.08 -1.28 -2.05 114.38 115.53 3fpv h ARG 39 Ca 0.26 -0.15 -0.14 0.00 0.07 0.00 0.00 59.98 60.02 3fpv h ARG 39 Cb 0.10 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3fpv h ARG 39 CO -0.03 0.64 -0.64 0.00 -1.07 0.00 0.00 179.97 178.87 3fpv h ALA 40 N 1.36 0.72 -0.47 0.04 0.00 -1.33 -0.14 119.26 119.44 3fpv h ALA 40 Ca 0.04 -0.59 -0.14 0.00 0.00 0.00 0.00 54.91 54.23 3fpv h ALA 40 Cb 0.71 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3fpv h ALA 40 CO 0.05 0.80 -0.24 0.00 0.00 0.00 0.00 179.25 179.87 3fpv h ALA 41 N 1.36 0.66 -0.40 0.00 0.00 -0.97 0.07 119.26 119.97 3fpv h ALA 41 Ca -0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 3fpv h ALA 41 Cb 1.31 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3fpv h ALA 41 CO 0.08 0.67 0.18 0.28 0.00 0.00 0.00 179.25 180.47 3fpv h VAL 42 N 0.84 1.18 -0.90 0.00 2.07 -1.30 -2.50 116.25 115.65 3fpv h VAL 42 Ca 0.10 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 67.13 3fpv h VAL 42 Cb 0.83 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 3fpv h VAL 42 CO 0.07 0.20 0.57 -0.08 0.02 0.00 0.00 177.57 178.36 3fpv h GLU 43 N 0.51 1.06 -0.01 1.57 4.81 -0.75 0.51 114.58 122.28 3fpv h GLU 43 Ca 0.14 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.17 3fpv h GLU 43 Cb 0.14 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3fpv h GLU 43 CO -0.02 0.70 -0.61 0.00 -0.73 0.00 0.00 179.01 178.35 3fpv h ALA 44 N 1.39 0.96 -0.06 2.92 0.00 -0.97 -2.30 119.26 121.19 3fpv h ALA 44 Ca 0.37 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3fpv h ALA 44 Cb 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3fpv h ALA 44 CO -0.14 0.76 -0.10 0.00 0.00 0.00 0.00 179.25 179.77 3fpv h ALA 45 N 1.35 0.10 0.00 0.00 0.00 -0.87 -3.21 119.26 116.61 3fpv h ALA 45 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3fpv h ALA 45 Cb 1.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3fpv h ALA 45 CO 0.08 -0.05 0.00 0.93 0.00 0.00 0.00 179.25 180.21 3fpv h GLU 46 N -0.30 0.00 -0.07 0.00 4.39 -0.90 0.12 114.58 117.82 3fpv h GLU 46 Ca 0.01 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3fpv h GLU 46 Cb 0.66 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 3fpv h GLU 46 CO 0.02 0.00 -0.16 0.87 -1.16 0.00 0.00 179.01 178.58 3fpv h LYS 47 N 0.00 0.10 -0.55 2.33 1.57 -1.42 -3.05 116.57 115.56 3fpv h LYS 47 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3fpv h LYS 47 Cb 0.40 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3fpv h LYS 47 CO 0.00 0.27 0.00 -0.25 -0.57 0.00 0.00 179.45 178.90 3fpv n ASP 48 N -4.30 3.58 -0.91 0.86 8.00 0.27 -4.92 116.55 119.13 3fpv n ASP 48 Ca -0.02 -1.99 -0.09 0.00 0.71 0.00 0.00 54.79 53.41 3fpv n ASP 48 Cb 0.26 -0.36 -0.02 0.00 -0.02 0.00 0.00 41.12 40.98 3fpv n ASP 48 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fpv n GLY 49 N 1.56 0.36 3.77 0.44 0.00 -1.12 -5.03 105.19 105.17 3fpv n GLY 49 Ca 0.22 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 3fpv n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fpv s ARG 50 N -3.89 2.99 -0.26 1.61 3.00 -0.39 -4.99 118.95 117.03 3fpv s ARG 50 Ca 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 55.73 55.19 3fpv s ARG 50 Cb 0.00 -2.80 0.06 0.00 0.00 0.00 0.00 34.95 32.21 3fpv s ARG 50 CO 0.00 0.62 -0.07 -1.01 0.00 0.00 0.00 175.30 174.84 3fpv s HIS 51 N -1.25 2.98 0.21 -0.53 3.76 -1.26 -3.63 115.29 115.57 3fpv s HIS 51 Ca 0.25 -2.18 0.05 0.00 -0.15 0.00 0.00 55.06 53.03 3fpv s HIS 51 Cb -0.12 -1.88 -0.05 0.00 1.11 0.00 0.00 32.58 31.64 3fpv s HIS 51 CO 0.16 -0.85 -0.07 0.14 -0.85 0.00 0.00 174.74 173.27 3fpv s VAL 52 N 1.19 1.31 -0.04 -0.90 -7.23 -1.26 -4.18 120.40 109.30 3fpv s VAL 52 Ca -0.06 -2.09 -0.01 0.00 -1.81 0.00 0.00 61.98 58.00 3fpv s VAL 52 Cb -0.19 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 3fpv s VAL 52 CO -0.06 -0.51 0.06 -0.44 -0.31 0.00 0.00 175.10 173.84 3fpv s SER 53 N -3.28 5.59 -0.05 4.85 0.01 -0.25 -0.93 113.70 119.65 3fpv s SER 53 Ca 0.24 0.17 0.05 0.00 1.31 0.00 0.00 55.95 57.72 3fpv s SER 53 Cb 0.03 -1.61 -0.01 0.00 0.21 0.00 0.00 66.02 64.64 3fpv s SER 53 CO 0.06 0.32 -0.20 -0.69 0.41 0.00 0.00 173.24 173.14 3fpv s VAL 54 N -1.08 1.64 0.05 3.43 1.01 -0.37 -1.67 120.40 123.42 3fpv s VAL 54 Ca 0.19 -0.84 0.09 0.00 0.00 0.00 0.00 61.98 61.42 3fpv s VAL 54 Cb -0.12 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 3fpv s VAL 54 CO 0.09 0.47 -0.25 0.00 0.00 0.00 0.00 175.10 175.40 3fpv s ALA 55 N -0.04 2.18 -0.20 5.51 0.00 -0.37 -0.42 121.76 128.43 3fpv s ALA 55 Ca -0.03 -1.25 -0.02 0.00 0.00 0.00 0.00 51.96 50.65 3fpv s ALA 55 Cb -0.12 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.56 3fpv s ALA 55 CO 0.03 0.51 -0.11 0.08 0.00 0.00 0.00 175.76 176.27 3fpv s VAL 56 N -0.83 2.83 -0.08 0.00 1.01 0.53 -1.23 120.40 122.63 3fpv s VAL 56 Ca 0.11 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3fpv s VAL 56 Cb -0.10 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 3fpv s VAL 56 CO 0.02 0.47 -0.20 -0.69 0.00 0.00 0.00 175.10 174.70 3fpv s VAL 57 N 1.36 2.45 0.96 2.92 1.01 -0.42 -0.27 120.40 128.41 3fpv s VAL 57 Ca 0.05 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 3fpv s VAL 57 Cb -0.14 -1.95 0.17 0.00 0.00 0.00 0.00 36.38 34.46 3fpv s VAL 57 CO -0.07 0.56 1.09 -0.62 0.00 0.00 0.00 175.10 176.06 3fpv s ASP 58 N -0.06 2.84 0.60 3.32 2.15 0.14 -0.11 116.67 125.55 3fpv s ASP 58 Ca -0.05 1.58 0.38 0.00 0.43 0.00 0.00 52.55 54.89 3fpv s ASP 58 Cb -0.14 -2.24 1.88 0.00 -0.30 0.00 0.00 42.92 42.11 3fpv s ASP 58 CO 0.04 -3.05 2.18 -0.09 -0.17 0.00 0.00 175.17 174.09 3fpv h ARG 59 N -1.83 0.00 -0.78 4.34 9.65 -1.64 -3.21 114.38 120.90 3fpv h ARG 59 Ca -0.51 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 3fpv h ARG 59 Cb 1.29 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.87 3fpv h ARG 59 CO 0.52 0.02 0.00 0.27 2.80 0.00 0.00 179.97 183.58 3fpv n ASN 60 N -3.19 2.63 -4.56 -3.80 0.23 -1.26 -4.92 115.26 100.39 3fpv n ASN 60 Ca -0.01 -2.31 -0.36 0.00 -0.53 0.00 0.00 54.58 51.37 3fpv n ASN 60 Cb 0.18 -0.53 -0.04 0.00 -2.08 0.00 0.00 39.78 37.32 3fpv n ASN 60 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 3fpv s GLY 61 N -0.37 0.55 0.48 4.83 0.00 -1.21 -5.06 107.32 106.54 3fpv s GLY 61 Ca 0.20 -1.41 -0.23 0.00 0.00 0.00 0.00 44.72 43.28 3fpv s GLY 61 CO 0.07 3.14 1.31 -1.31 0.00 0.00 0.00 173.10 176.30 3fpv s ASN 62 N 6.57 5.81 0.05 1.64 0.01 -1.26 -4.73 114.94 123.04 3fpv s ASN 62 Ca 0.57 2.65 -0.31 0.00 -0.71 0.00 0.00 52.86 55.07 3fpv s ASN 62 Cb -0.07 -2.63 -0.06 0.00 0.41 0.00 0.00 41.25 38.90 3fpv s ASN 62 CO 0.06 -1.19 1.32 -0.89 -1.51 0.00 0.00 177.10 174.90 3fpv s THR 63 N -1.34 3.70 -0.21 1.60 2.01 -1.26 0.26 115.64 120.40 3fpv s THR 63 Ca 0.65 1.18 -0.11 0.00 0.31 0.00 0.00 61.69 63.72 3fpv s THR 63 Cb -0.37 -3.76 -0.19 0.00 0.01 0.00 0.00 72.50 68.19 3fpv s THR 63 CO 0.46 0.06 0.04 0.18 -0.69 0.00 0.00 174.62 174.67 3fpv n LEU 64 N 4.45 2.34 -3.99 4.42 4.77 0.62 -4.91 117.00 124.71 3fpv n LEU 64 Ca 0.11 0.23 -0.19 0.00 -0.03 0.00 0.00 56.01 56.13 3fpv n LEU 64 Cb 0.44 -0.97 -0.15 0.00 -2.33 0.00 0.00 43.42 40.41 3fpv n LEU 64 CO 0.57 0.65 -0.43 -0.69 -1.33 0.00 0.00 177.39 176.17 3fpv s VAL 65 N -2.48 0.66 -0.00 4.08 1.01 -1.00 -4.99 120.40 117.68 3fpv s VAL 65 Ca -0.30 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.42 3fpv s VAL 65 Cb 0.09 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 3fpv s VAL 65 CO 0.62 0.21 -0.19 0.42 0.00 0.00 0.00 175.10 176.16 3fpv s THR 66 N 0.10 1.52 -0.09 3.92 -4.23 -1.26 -0.35 115.64 115.26 3fpv s THR 66 Ca -0.01 -0.90 0.02 0.00 -1.18 0.00 0.00 61.69 59.62 3fpv s THR 66 Cb -0.07 -1.28 0.01 0.00 1.34 0.00 0.00 72.50 72.51 3fpv s THR 66 CO 0.00 0.37 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.53 3fpv s LEU 67 N -0.62 1.75 -0.47 4.79 1.43 0.45 -5.01 118.68 121.00 3fpv s LEU 67 Ca 0.07 -0.39 -0.16 0.00 -1.03 0.00 0.00 54.13 52.62 3fpv s LEU 67 Cb -0.08 -1.03 0.06 0.00 0.03 0.00 0.00 46.19 45.18 3fpv s LEU 67 CO -0.00 0.05 0.43 -0.60 0.23 0.00 0.00 176.35 176.45 3fpv s ARG 68 N 0.73 3.01 0.58 1.70 3.52 -1.26 -1.24 118.95 126.00 3fpv s ARG 68 Ca -0.12 -1.18 -0.20 0.00 -0.13 0.00 0.00 55.73 54.10 3fpv s ARG 68 Cb -0.16 -4.09 -0.04 0.00 -1.56 0.00 0.00 34.95 29.10 3fpv s ARG 68 CO 0.03 -1.01 1.28 0.20 -0.81 0.00 0.00 175.30 174.98 3fpv s GLY 69 N 2.44 2.83 -0.19 8.12 0.00 -0.10 -4.89 107.32 115.52 3fpv s GLY 69 Ca 0.07 1.16 -0.30 0.00 0.00 0.00 0.00 44.72 45.65 3fpv s GLY 69 CO 0.09 1.61 2.14 1.22 0.00 0.00 0.00 173.10 178.16 3fpv n ASP 70 N -1.43 3.22 0.00 1.64 8.00 -1.26 -1.97 116.55 124.75 3fpv n ASP 70 Ca 0.13 0.44 0.00 0.00 0.71 0.00 0.00 54.79 56.07 3fpv n ASP 70 Cb 0.48 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 3fpv n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fpv n GLY 71 N 5.56 0.72 3.74 0.44 0.00 -1.26 -4.79 105.19 109.61 3fpv n GLY 71 Ca 0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 3fpv n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fpv n ALA 72 N -0.29 1.80 -1.67 4.61 0.00 -0.83 -4.85 120.51 119.28 3fpv n ALA 72 Ca 0.00 0.32 -0.39 0.00 0.00 0.00 0.00 53.44 53.37 3fpv n ALA 72 Cb 0.00 -2.34 0.03 0.00 0.00 0.00 0.00 19.45 17.15 3fpv n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fpv n GLY 73 N 0.63 0.21 0.26 0.00 0.00 -1.26 -4.91 105.19 100.11 3fpv n GLY 73 Ca 0.04 0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.23 3fpv n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fpv h PRO 74 N 1.27 0.00 0.00 1.61 0.13 -2.01 -1.92 132.00 131.08 3fpv h PRO 74 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3fpv h PRO 74 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 3fpv h PRO 74 CO 0.56 0.08 0.00 -0.56 -0.23 0.00 0.00 178.00 177.84 3fpv h GLN 75 N 0.00 0.00 0.00 0.86 -0.00 -2.01 -3.35 115.11 110.61 3fpv h GLN 75 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.61 3fpv h GLN 75 Cb 0.60 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.07 3fpv h GLN 75 CO 0.01 0.00 -0.16 0.66 -0.00 0.00 0.00 178.83 179.34 3fpv h SER 76 N 0.00 0.00 0.74 0.06 4.64 -1.66 -2.93 113.55 114.40 3fpv h SER 76 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3fpv h SER 76 Cb 0.70 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3fpv h SER 76 CO 0.00 0.16 -0.36 0.22 -0.87 0.00 0.00 176.83 175.99 3fpv h TYR 77 N 0.00 -0.93 -0.53 4.77 5.03 -1.74 -0.55 116.97 123.02 3fpv h TYR 77 Ca -0.00 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.29 3fpv h TYR 77 Cb 1.06 0.31 -0.03 0.00 1.55 0.00 0.00 36.73 39.62 3fpv h TYR 77 CO 0.00 -0.58 0.33 0.93 -1.32 0.00 0.00 178.16 177.53 3fpv h GLU 78 N -1.22 0.71 -0.10 1.82 5.08 -1.84 -2.92 114.58 116.11 3fpv h GLU 78 Ca -0.10 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3fpv h GLU 78 Cb 0.77 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 3fpv h GLU 78 CO 0.17 0.48 0.03 1.03 -1.00 0.00 0.00 179.01 179.72 3fpv h SER 79 N 0.72 0.15 -0.95 1.42 0.87 -1.41 -1.66 113.55 112.69 3fpv h SER 79 Ca 0.19 -0.21 0.15 0.00 -1.23 0.00 0.00 61.79 60.69 3fpv h SER 79 Cb -0.05 -0.04 -0.10 0.00 -0.44 0.00 0.00 62.40 61.77 3fpv h SER 79 CO -0.04 0.33 0.56 0.00 -0.53 0.00 0.00 176.83 177.15 3fpv h ALA 80 N 0.83 1.50 -0.11 6.23 0.00 -1.04 -2.17 119.26 124.50 3fpv h ALA 80 Ca 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3fpv h ALA 80 Cb 0.23 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3fpv h ALA 80 CO -0.00 0.03 0.05 0.93 0.00 0.00 0.00 179.25 180.25 3fpv h GLU 81 N 0.80 0.16 -0.21 0.00 5.08 -1.17 -1.97 114.58 117.28 3fpv h GLU 81 Ca 0.52 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.70 3fpv h GLU 81 Cb 0.69 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3fpv h GLU 81 CO -0.34 0.26 -0.49 0.00 -1.00 0.00 0.00 179.01 177.44 3fpv h ARG 82 N 0.03 0.56 -0.03 2.33 3.08 -1.10 -0.84 114.38 118.40 3fpv h ARG 82 Ca 0.04 -0.32 0.02 0.00 0.07 0.00 0.00 59.98 59.78 3fpv h ARG 82 Cb 0.16 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 3fpv h ARG 82 CO -0.00 0.92 -0.10 0.87 -1.07 0.00 0.00 179.97 180.59 3fpv h LYS 83 N 0.44 -0.15 -0.92 0.04 1.57 -1.35 0.15 116.57 116.35 3fpv h LYS 83 Ca 0.02 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3fpv h LYS 83 Cb 1.02 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 3fpv h LYS 83 CO 0.09 -0.10 0.54 0.00 -0.57 0.00 0.00 179.45 179.41 3fpv h ALA 84 N 0.84 1.21 -0.63 3.86 0.00 -1.13 0.12 119.26 123.53 3fpv h ALA 84 Ca 0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3fpv h ALA 84 Cb 0.22 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3fpv h ALA 84 CO -0.12 0.66 0.37 0.35 0.00 0.00 0.00 179.25 180.51 3fpv h PHE 85 N 1.28 0.83 -0.13 0.00 3.04 -0.93 -2.67 116.94 118.36 3fpv h PHE 85 Ca 0.33 -0.00 -0.19 0.00 3.98 0.00 0.00 57.97 62.09 3fpv h PHE 85 Cb -0.03 -0.27 -0.00 0.00 2.56 0.00 0.00 35.95 38.21 3fpv h PHE 85 CO 0.01 0.57 -0.69 1.15 -2.02 0.00 0.00 178.31 177.32 3fpv h THR 86 N 0.85 1.34 0.01 4.41 2.02 0.10 -2.38 112.91 119.26 3fpv h THR 86 Ca 0.22 -2.01 -0.00 0.00 0.77 0.00 0.00 66.41 65.40 3fpv h THR 86 Cb -0.01 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 3fpv h THR 86 CO -0.04 0.62 -0.01 0.00 0.37 0.00 0.00 175.52 176.46 3fpv h ALA 87 N 0.85 -0.02 0.00 6.16 0.00 -0.77 -3.06 119.26 122.43 3fpv h ALA 87 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3fpv h ALA 87 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3fpv h ALA 87 CO 0.13 -0.47 0.00 -0.24 0.00 0.00 0.00 179.25 178.67 3fpv h VAL 88 N -0.10 0.00 0.00 0.00 3.04 -1.48 0.10 116.25 117.80 3fpv h VAL 88 Ca -0.00 -0.70 -0.10 0.00 -1.01 0.00 0.00 66.70 64.89 3fpv h VAL 88 Cb 0.10 1.68 -0.01 0.00 -2.01 0.00 0.00 31.29 31.05 3fpv h VAL 88 CO 0.00 0.00 -0.47 0.28 -1.01 0.00 0.00 177.57 176.37 3fpv h SER 89 N 0.00 0.00 0.00 3.17 0.02 -1.32 -3.32 113.55 112.09 3fpv h SER 89 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fpv h SER 89 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 3fpv h SER 89 CO 0.00 0.47 0.00 0.79 -1.14 0.00 0.00 176.83 176.95 3fpv n TRP 90 N -3.98 0.00 -3.62 3.45 8.01 -1.12 -5.03 117.44 115.16 3fpv n TRP 90 Ca -0.02 -0.02 -0.22 0.00 -1.31 0.00 0.00 57.50 55.93 3fpv n TRP 90 Cb 0.49 -0.00 0.07 0.00 -2.01 0.00 0.00 31.31 29.85 3fpv n TRP 90 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 3fpv n ASN 91 N -0.02 -3.80 -3.83 -0.99 5.15 -0.00 -5.01 115.26 106.76 3fpv n ASN 91 Ca 0.00 -0.66 -0.10 0.00 -0.60 0.00 0.00 54.58 53.22 3fpv n ASN 91 Cb 0.12 -4.69 -0.08 0.00 -0.53 0.00 0.00 39.78 34.59 3fpv n ASN 91 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fpv s ALA 92 N -3.39 -0.39 0.31 5.20 0.00 -1.06 -4.96 121.76 117.46 3fpv s ALA 92 Ca 0.31 -0.28 -0.27 0.00 0.00 0.00 0.00 51.96 51.72 3fpv s ALA 92 Cb -0.14 0.31 -0.14 0.00 0.00 0.00 0.00 23.12 23.14 3fpv s ALA 92 CO 0.76 -0.38 0.84 -2.30 0.00 0.00 0.00 175.76 174.68 3fpv n PRO 93 N 0.60 0.98 0.19 0.00 -0.02 -1.26 -4.30 135.00 131.19 3fpv n PRO 93 Ca -0.18 0.34 0.05 0.00 -2.02 0.00 0.00 63.50 61.69 3fpv n PRO 93 Cb 0.59 -1.65 0.33 0.00 -0.02 0.00 0.00 33.50 32.75 3fpv n PRO 93 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3fpv h THR 94 N 1.56 0.91 -0.70 3.45 1.35 -1.42 -1.16 112.91 116.90 3fpv h THR 94 Ca -0.38 -1.53 -0.00 0.00 -0.55 0.00 0.00 66.41 63.95 3fpv h THR 94 Cb 1.37 1.93 -0.03 0.00 -1.73 0.00 0.00 68.15 69.68 3fpv h THR 94 CO 0.58 0.37 0.42 0.77 -0.25 0.00 0.00 175.52 177.41 3fpv h SER 95 N 0.00 0.84 -0.49 5.36 4.64 -1.80 0.98 113.55 123.08 3fpv h SER 95 Ca -0.00 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 3fpv h SER 95 Cb 0.90 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.75 3fpv h SER 95 CO 0.05 0.65 0.16 -0.08 -0.87 0.00 0.00 176.83 176.75 3fpv h GLU 96 N 0.95 0.76 0.00 4.77 4.81 -1.84 -3.20 114.58 120.82 3fpv h GLU 96 Ca 0.25 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 3fpv h GLU 96 Cb -0.03 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 3fpv h GLU 96 CO -0.05 0.70 -0.35 -0.07 -0.73 0.00 0.00 179.01 178.52 3fpv h LEU 97 N 0.66 0.00 -1.32 1.64 3.38 -0.85 -2.89 115.31 115.94 3fpv h LEU 97 Ca 0.16 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 3fpv h LEU 97 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3fpv h LEU 97 CO -0.01 0.35 -0.30 0.00 0.09 0.00 0.00 178.44 178.58 3fpv h ALA 98 N 1.65 1.20 -0.00 1.53 0.00 -0.80 -2.40 119.26 120.44 3fpv h ALA 98 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3fpv h ALA 98 Cb 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3fpv h ALA 98 CO 0.05 0.37 -0.07 1.63 0.00 0.00 0.00 179.25 181.23 3fpv n LYS 99 N -3.74 0.06 0.07 0.00 5.02 -1.09 -2.92 118.16 115.56 3fpv n LYS 99 Ca -0.01 -0.01 0.11 0.00 -2.02 0.00 0.00 58.31 56.38 3fpv n LYS 99 Cb 0.40 -1.50 0.45 0.00 -0.02 0.00 0.00 35.03 34.36 3fpv n LYS 99 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3fpv n ARG 100 N -1.46 0.12 0.02 1.97 1.74 -0.90 -3.48 116.66 114.66 3fpv n ARG 100 Ca 0.08 0.26 0.13 0.00 -0.77 0.00 0.00 57.85 57.55 3fpv n ARG 100 Cb 0.33 -1.69 0.56 0.00 -1.02 0.00 0.00 32.46 30.63 3fpv n ARG 100 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3fpv n LEU 101 N -1.92 0.13 -0.19 0.55 4.77 -1.15 -2.67 117.00 116.52 3fpv n LEU 101 Ca 0.04 0.51 -0.06 0.00 -0.03 0.00 0.00 56.01 56.48 3fpv n LEU 101 Cb 0.28 -0.48 0.11 0.00 -2.33 0.00 0.00 43.42 41.00 3fpv n LEU 101 CO 0.22 -0.06 0.93 0.00 -1.33 0.00 0.00 177.39 177.15 3fpv h ALA 102 N 2.87 1.04 0.00 -1.18 0.00 -1.80 -2.89 119.26 117.30 3fpv h ALA 102 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3fpv h ALA 102 Cb 0.51 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3fpv h ALA 102 CO 0.00 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.87 3fpv n GLN 103 N -4.23 2.99 -3.67 0.00 0.00 -1.24 -4.71 117.38 106.51 3fpv n GLN 103 Ca 0.04 -0.19 -0.28 0.00 0.00 0.00 0.00 57.00 56.57 3fpv n GLN 103 Cb 0.27 -0.66 -0.12 0.00 0.00 0.00 0.00 30.24 29.73 3fpv n GLN 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3fpv s ALA 104 N -0.48 2.54 -0.64 2.61 0.00 -1.09 -5.01 121.76 119.69 3fpv s ALA 104 Ca 0.00 -3.03 0.24 0.00 0.00 0.00 0.00 51.96 49.17 3fpv s ALA 104 Cb 0.00 -1.89 0.91 0.00 0.00 0.00 0.00 23.12 22.13 3fpv s ALA 104 CO 0.00 -2.04 1.74 -0.35 0.00 0.00 0.00 175.76 175.10 3fpv n PRO 105 N 2.68 0.20 -0.40 0.00 -0.04 -1.09 -3.02 135.00 133.33 3fpv n PRO 105 Ca 0.21 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 64.09 3fpv n PRO 105 Cb 0.39 -1.80 0.33 0.00 -0.04 0.00 0.00 33.50 32.38 3fpv n PRO 105 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3fpv n THR 106 N -2.17 1.08 0.24 0.52 -2.24 -1.26 -4.00 114.28 106.44 3fpv n THR 106 Ca 0.04 -1.02 0.08 0.00 -2.27 0.00 0.00 64.05 60.88 3fpv n THR 106 Cb 0.32 0.46 0.60 0.00 -2.10 0.00 0.00 70.33 69.61 3fpv n THR 106 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3fpv h LEU 107 N 4.35 0.00 -0.20 3.22 3.38 -1.92 -2.39 115.31 121.75 3fpv h LEU 107 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fpv h LEU 107 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3fpv h LEU 107 CO 0.02 0.11 -0.00 2.29 0.09 0.00 0.00 178.44 180.95 3fpv n LYS 108 N -4.28 1.12 0.02 1.13 2.85 -1.26 -2.72 118.16 115.02 3fpv n LYS 108 Ca -0.03 -0.20 0.12 0.00 -1.05 0.00 0.00 58.31 57.16 3fpv n LYS 108 Cb 0.19 -1.50 0.23 0.00 -0.65 0.00 0.00 35.03 33.30 3fpv n LYS 108 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3fpv n ASP 109 N -0.77 0.54 -4.67 -5.58 8.00 -0.90 -4.84 116.55 108.33 3fpv n ASP 109 Ca 0.23 -0.12 -0.42 0.00 0.71 0.00 0.00 54.79 55.18 3fpv n ASP 109 Cb 0.16 0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 3fpv n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fpv s ILE 110 N -3.05 3.09 0.26 0.53 1.01 -1.10 -4.93 121.20 117.01 3fpv s ILE 110 Ca 0.09 0.24 -0.31 0.00 0.00 0.00 0.00 60.65 60.67 3fpv s ILE 110 Cb 0.16 -3.15 -0.13 0.00 0.01 0.00 0.00 42.46 39.35 3fpv s ILE 110 CO 0.70 -0.02 1.45 -2.65 0.00 0.00 0.00 174.94 174.43 3fpv n PRO 111 N 7.02 2.24 0.00 2.79 -0.02 -1.26 -3.20 135.00 142.57 3fpv n PRO 111 Ca 0.19 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 3fpv n PRO 111 Cb 0.41 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3fpv n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fpv n GLY 112 N 2.03 0.25 3.81 -1.23 0.00 -1.26 -5.05 105.19 103.73 3fpv n GLY 112 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3fpv n GLY 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fpv s THR 113 N -2.00 4.84 -0.19 2.61 -4.23 -1.19 -4.68 115.64 110.79 3fpv s THR 113 Ca 0.00 -0.41 -0.02 0.00 -1.18 0.00 0.00 61.69 60.07 3fpv s THR 113 Cb 0.00 -3.24 0.06 0.00 1.34 0.00 0.00 72.50 70.66 3fpv s THR 113 CO 0.00 0.31 0.01 -0.22 -0.54 0.00 0.00 174.62 174.18 3fpv s LEU 114 N -1.88 1.38 -1.22 4.79 2.96 -1.24 -4.98 118.68 118.48 3fpv s LEU 114 Ca 0.25 -0.81 -0.12 0.00 -0.22 0.00 0.00 54.13 53.23 3fpv s LEU 114 Cb -0.12 -0.69 0.18 0.00 0.50 0.00 0.00 46.19 46.06 3fpv s LEU 114 CO 0.16 -0.28 1.54 0.49 -1.32 0.00 0.00 176.35 176.95 3fpv n PHE 115 N 4.99 4.33 -3.67 5.38 3.01 -1.26 -4.40 117.46 125.84 3fpv n PHE 115 Ca -0.09 -3.21 -0.09 0.00 1.01 0.00 0.00 57.45 55.07 3fpv n PHE 115 Cb 0.47 -2.06 -0.09 0.00 -0.01 0.00 0.00 39.48 37.79 3fpv n PHE 115 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3fpv s LEU 116 N 0.75 -0.49 0.19 4.37 2.96 -1.26 -4.64 118.68 120.55 3fpv s LEU 116 Ca 0.41 1.20 -0.32 0.00 -0.22 0.00 0.00 54.13 55.20 3fpv s LEU 116 Cb 0.01 1.88 -0.15 0.00 0.50 0.00 0.00 46.19 48.42 3fpv s LEU 116 CO 0.00 -0.22 1.22 0.00 -1.32 0.00 0.00 176.35 176.03 3fpv n ALA 117 N 4.16 -0.36 0.00 5.97 0.00 -1.26 -4.18 120.51 124.84 3fpv n ALA 117 Ca -0.21 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3fpv n ALA 117 Cb 0.57 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.94 3fpv n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fpv n GLY 118 N 2.05 0.48 3.70 0.00 0.00 -1.20 -4.47 105.19 105.75 3fpv n GLY 118 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3fpv n GLY 118 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fpv s GLY 119 N 0.00 1.93 -0.01 -0.02 0.00 -1.26 -0.08 107.32 107.88 3fpv s GLY 119 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.97 3fpv s GLY 119 CO 0.00 -0.31 0.00 -1.08 0.00 0.00 0.00 173.10 171.72 3fpv s THR 120 N -0.47 0.07 0.39 0.90 -1.32 -0.30 -1.12 115.64 113.80 3fpv s THR 120 Ca 0.10 0.05 -0.20 0.00 -1.21 0.00 0.00 61.69 60.43 3fpv s THR 120 Cb -0.12 -0.12 -0.10 0.00 -1.51 0.00 0.00 72.50 70.65 3fpv s THR 120 CO 0.02 0.06 0.88 -2.16 -2.21 0.00 0.00 174.62 171.22 3fpv s PRO 121 N 0.45 4.19 -0.04 7.08 0.04 -1.26 -1.30 135.00 144.15 3fpv s PRO 121 Ca -0.04 1.00 0.06 0.00 0.04 0.00 0.00 61.00 62.06 3fpv s PRO 121 Cb -0.06 -2.31 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 3fpv s PRO 121 CO -0.01 0.05 -0.23 0.08 0.04 0.00 0.00 177.00 176.94 3fpv s VAL 122 N -2.07 2.32 0.21 -0.36 1.01 0.60 -4.92 120.40 117.19 3fpv s VAL 122 Ca 0.59 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 61.66 3fpv s VAL 122 Cb -0.10 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 3fpv s VAL 122 CO 0.15 0.58 -0.17 0.42 0.00 0.00 0.00 175.10 176.08 3fpv s THR 123 N -0.47 1.95 -0.10 3.92 -4.23 -1.26 -0.29 115.64 115.16 3fpv s THR 123 Ca 0.06 -2.20 -0.03 0.00 -1.18 0.00 0.00 61.69 58.34 3fpv s THR 123 Cb -0.11 -2.07 0.04 0.00 1.34 0.00 0.00 72.50 71.70 3fpv s THR 123 CO 0.01 -0.48 0.05 0.00 -0.54 0.00 0.00 174.62 173.65 3fpv s ALA 124 N -2.65 0.54 -0.47 3.99 0.00 0.68 -4.73 121.76 119.12 3fpv s ALA 124 Ca 0.23 -0.16 -0.10 0.00 0.00 0.00 0.00 51.96 51.92 3fpv s ALA 124 Cb -0.03 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.26 3fpv s ALA 124 CO 0.09 -0.75 0.28 1.63 0.00 0.00 0.00 175.76 177.01 3fpv n LYS 125 N 5.21 -0.68 0.00 0.00 5.02 -1.26 -3.10 118.16 123.35 3fpv n LYS 125 Ca -0.06 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 3fpv n LYS 125 Cb 0.49 -0.67 0.00 0.00 -0.02 0.00 0.00 35.03 34.83 3fpv n LYS 125 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fpv n GLY 126 N -1.29 2.86 3.78 0.72 0.00 -1.26 -4.97 105.19 105.03 3fpv n GLY 126 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 3fpv n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fpv s ALA 127 N -1.57 3.50 0.20 4.61 0.00 -1.18 -4.96 121.76 122.36 3fpv s ALA 127 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 3fpv s ALA 127 Cb 0.00 -2.78 -0.08 0.00 0.00 0.00 0.00 23.12 20.26 3fpv s ALA 127 CO 0.00 0.27 1.26 -1.25 0.00 0.00 0.00 175.76 176.03 3fpv s PRO 128 N -0.70 4.43 0.00 0.00 0.04 -1.26 -0.23 135.00 137.28 3fpv s PRO 128 Ca 0.32 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.34 3fpv s PRO 128 Cb -0.20 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.13 3fpv s PRO 128 CO 0.20 -0.18 0.00 1.33 0.04 0.00 0.00 177.00 178.40 3fpv n VAL 129 N 2.52 0.00 -3.70 -0.36 0.24 0.61 -4.78 118.33 112.86 3fpv n VAL 129 Ca 0.05 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.23 3fpv n VAL 129 Cb 0.44 0.35 -0.06 0.00 -1.47 0.00 0.00 33.84 33.09 3fpv n VAL 129 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fpv s ALA 130 N -1.67 -0.85 0.08 2.33 0.00 -0.99 -1.75 121.76 118.90 3fpv s ALA 130 Ca 0.00 0.08 0.09 0.00 0.00 0.00 0.00 51.96 52.13 3fpv s ALA 130 Cb 0.00 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 3fpv s ALA 130 CO 0.00 -0.49 -0.22 0.20 0.00 0.00 0.00 175.76 175.25 3fpv s GLY 131 N -2.25 1.55 -0.26 0.00 0.00 0.85 -0.29 107.32 106.92 3fpv s GLY 131 Ca -0.03 -1.30 -0.01 0.00 0.00 0.00 0.00 44.72 43.38 3fpv s GLY 131 CO -0.05 -1.23 -0.06 -0.42 0.00 0.00 0.00 173.10 171.34 3fpv s ILE 132 N -0.97 2.80 -0.14 0.90 1.01 -0.42 -1.30 121.20 123.09 3fpv s ILE 132 Ca 0.14 -1.17 -0.05 0.00 0.00 0.00 0.00 60.65 59.58 3fpv s ILE 132 Cb -0.10 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 3fpv s ILE 132 CO 0.06 0.11 0.02 -0.83 0.00 0.00 0.00 174.94 174.30 3fpv s GLY 133 N 1.28 1.86 -0.01 6.18 0.00 -0.36 -1.14 107.32 115.12 3fpv s GLY 133 Ca -0.02 -0.77 0.07 0.00 0.00 0.00 0.00 44.72 44.00 3fpv s GLY 133 CO -0.04 -0.21 -0.24 0.14 0.00 0.00 0.00 173.10 172.75 3fpv s VAL 134 N -0.14 1.89 -0.01 1.40 1.01 0.89 -1.23 120.40 124.20 3fpv s VAL 134 Ca 0.05 -1.05 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 3fpv s VAL 134 Cb -0.12 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.69 3fpv s VAL 134 CO 0.02 0.51 0.02 0.00 0.00 0.00 0.00 175.10 175.65 3fpv s ALA 135 N -0.58 -0.01 0.00 5.51 0.00 -0.67 -4.59 121.76 121.41 3fpv s ALA 135 Ca 0.09 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.18 3fpv s ALA 135 Cb -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.93 3fpv s ALA 135 CO -0.01 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.13 3fpv n GLY 136 N 3.40 -0.13 3.68 0.00 0.00 -1.26 -1.09 105.19 109.79 3fpv n GLY 136 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 3fpv n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fpv s ALA 137 N -0.84 1.06 0.49 4.61 0.00 -1.26 -4.71 121.76 121.10 3fpv s ALA 137 Ca 0.00 -0.29 0.23 0.00 0.00 0.00 0.00 51.96 51.90 3fpv s ALA 137 Cb 0.00 -3.13 1.28 0.00 0.00 0.00 0.00 23.12 21.26 3fpv s ALA 137 CO 0.00 -2.75 1.94 -1.35 0.00 0.00 0.00 175.76 173.60 3fpv h PRO 138 N -1.83 0.16 -4.03 0.00 0.11 -1.98 -3.42 132.00 121.01 3fpv h PRO 138 Ca -0.53 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.45 3fpv h PRO 138 Cb 1.32 -0.04 -0.16 0.00 0.11 0.00 0.00 31.00 32.24 3fpv h PRO 138 CO 0.57 0.11 -0.57 -1.54 -0.21 0.00 0.00 178.00 176.35 3fpv s SER 139 N -5.96 0.32 0.47 -2.05 1.04 -1.26 -5.04 113.70 101.21 3fpv s SER 139 Ca -0.06 -0.79 0.24 0.00 0.48 0.00 0.00 55.95 55.81 3fpv s SER 139 Cb 0.21 0.23 1.14 0.00 0.10 0.00 0.00 66.02 67.70 3fpv s SER 139 CO 0.76 -0.60 1.94 1.23 0.98 0.00 0.00 173.24 177.55 3fpv h GLY 140 N 3.23 0.00 1.04 7.32 0.00 -1.82 -2.32 103.07 110.53 3fpv h GLY 140 Ca -0.34 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 3fpv h GLY 140 CO 0.59 0.00 0.39 -0.55 0.00 0.00 0.00 176.54 176.97 3fpv h ASP 141 N 0.00 1.10 -0.06 0.19 3.32 -1.97 -1.15 116.42 117.84 3fpv h ASP 141 Ca -0.00 -0.14 -0.14 0.00 0.02 0.00 0.00 57.03 56.77 3fpv h ASP 141 Cb 0.54 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3fpv h ASP 141 CO 0.03 0.93 -0.44 -0.07 -1.72 0.00 0.00 179.24 177.97 3fpv h LEU 142 N 1.19 0.65 -0.29 1.55 3.38 -1.83 -2.33 115.31 117.62 3fpv h LEU 142 Ca 0.28 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 58.01 3fpv h LEU 142 Cb 0.13 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3fpv h LEU 142 CO -0.03 1.00 -0.04 0.44 0.09 0.00 0.00 178.44 179.89 3fpv h ASP 143 N 0.49 -0.20 0.84 -0.43 3.32 -1.04 -2.08 116.42 117.31 3fpv h ASP 143 Ca 0.03 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 3fpv h ASP 143 Cb 0.96 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 3fpv h ASP 143 CO 0.09 -0.06 -0.35 -0.08 -1.72 0.00 0.00 179.24 177.11 3fpv h GLU 144 N 0.04 0.00 -0.34 3.56 4.81 -1.13 0.11 114.58 121.63 3fpv h GLU 144 Ca 0.14 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3fpv h GLU 144 Cb 0.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3fpv h GLU 144 CO -0.27 0.35 0.12 0.37 -0.73 0.00 0.00 179.01 178.85 3fpv h GLN 145 N 0.00 0.51 -0.02 1.92 4.15 -1.13 0.32 115.11 120.86 3fpv h GLN 145 Ca -0.00 -0.10 -0.12 0.00 0.77 0.00 0.00 58.65 59.19 3fpv h GLN 145 Cb 0.87 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.46 3fpv h GLN 145 CO 0.05 0.52 -0.57 1.88 -1.93 0.00 0.00 178.83 178.78 3fpv h TYR 146 N 0.39 0.07 -0.78 3.99 0.05 -0.90 -1.41 116.97 118.38 3fpv h TYR 146 Ca 0.11 -0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.82 3fpv h TYR 146 Cb 0.21 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.91 3fpv h TYR 146 CO 0.00 0.61 0.31 0.00 -1.05 0.00 0.00 178.16 178.03 3fpv h ALA 147 N 1.38 1.07 -0.24 3.88 0.00 -0.65 -1.43 119.26 123.26 3fpv h ALA 147 Ca -0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 3fpv h ALA 147 Cb 1.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3fpv h ALA 147 CO 0.08 0.66 -0.39 0.00 0.00 0.00 0.00 179.25 179.60 3fpv h ARG 148 N 1.14 0.56 0.00 0.00 3.08 -0.65 -2.04 114.38 116.47 3fpv h ARG 148 Ca 0.26 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 3fpv h ARG 148 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3fpv h ARG 148 CO -0.02 0.86 -0.36 0.00 -1.07 0.00 0.00 179.97 179.38 3fpv h ALA 149 N 1.11 1.33 -0.25 0.04 0.00 -1.01 -0.60 119.26 119.88 3fpv h ALA 149 Ca 0.04 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 3fpv h ALA 149 Cb 0.88 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3fpv h ALA 149 CO 0.08 0.45 -0.20 0.78 0.00 0.00 0.00 179.25 180.36 3fpv h GLY 150 N 1.20 0.62 2.00 0.00 0.00 -1.08 -3.20 103.07 102.61 3fpv h GLY 150 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.72 3fpv h GLY 150 CO 0.05 0.55 0.00 0.00 0.00 0.00 0.00 176.54 177.14 3fpv h ALA 151 N 0.69 1.00 0.00 3.60 0.00 -0.89 -3.19 119.26 120.47 3fpv h ALA 151 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3fpv h ALA 151 Cb 0.74 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3fpv h ALA 151 CO 0.05 0.00 -0.54 0.00 0.00 0.00 0.00 179.25 178.77 3fpv h ALA 152 N 2.03 0.77 0.00 0.00 0.00 -1.11 -2.91 119.26 118.04 3fpv h ALA 152 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3fpv h ALA 152 Cb 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3fpv h ALA 152 CO 0.00 0.67 0.00 1.33 0.00 0.00 0.00 179.25 181.25 3fpv n VAL 153 N -3.41 0.08 -3.06 0.00 0.24 -1.21 -4.65 118.33 106.33 3fpv n VAL 153 Ca 0.01 0.02 -0.40 0.00 -2.04 0.00 0.00 64.34 61.93 3fpv n VAL 153 Cb 0.67 -0.55 -0.05 0.00 -1.47 0.00 0.00 33.84 32.44 3fpv n VAL 153 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3fpv s LEU 154 N -2.78 4.42 -0.43 1.34 1.43 -1.10 -4.70 118.68 116.86 3fpv s LEU 154 Ca 0.21 1.32 0.08 0.00 -1.03 0.00 0.00 54.13 54.71 3fpv s LEU 154 Cb 0.19 -3.12 0.30 0.00 0.03 0.00 0.00 46.19 43.59 3fpv s LEU 154 CO 0.47 0.02 0.88 0.61 0.23 0.00 0.00 176.35 178.56 3fpv n GLY 155 N 2.51 1.61 0.55 -3.19 0.00 -1.26 -5.05 105.19 100.36 3fpv n GLY 155 Ca -0.04 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.49 3fpv n GLY 155 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74