#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fpw s VAL 16 N 0.00 2.50 -0.23 0.58 1.01 -1.26 -5.03 120.40 117.98 3fpw s VAL 16 Ca 0.00 0.40 -0.08 0.00 0.00 0.00 0.00 61.98 62.30 3fpw s VAL 16 Cb 0.00 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 3fpw s VAL 16 CO 0.00 0.01 0.08 0.00 0.00 0.00 0.00 175.10 175.19 3fpw s ALA 17 N -1.36 3.27 0.55 5.51 0.00 -1.26 -5.10 121.76 123.38 3fpw s ALA 17 Ca 0.65 -0.99 -0.12 0.00 0.00 0.00 0.00 51.96 51.49 3fpw s ALA 17 Cb -0.37 -2.06 -0.06 0.00 0.00 0.00 0.00 23.12 20.64 3fpw s ALA 17 CO 0.45 -0.26 0.97 0.00 0.00 0.00 0.00 175.76 176.92 3fpw s ALA 18 N 1.20 3.14 -0.30 0.00 0.00 -1.26 -5.05 121.76 119.49 3fpw s ALA 18 Ca 0.05 -0.04 -0.16 0.00 0.00 0.00 0.00 51.96 51.81 3fpw s ALA 18 Cb -0.14 -3.02 0.17 0.00 0.00 0.00 0.00 23.12 20.13 3fpw s ALA 18 CO 0.04 -0.44 1.07 1.03 0.00 0.00 0.00 175.76 177.45 3fpw s ARG 19 N -4.63 0.24 0.00 0.00 1.81 -1.26 -5.01 118.95 110.10 3fpw s ARG 19 Ca 0.55 0.53 0.00 0.00 -1.72 0.00 0.00 55.73 55.09 3fpw s ARG 19 Cb -0.10 0.23 0.00 0.00 -0.45 0.00 0.00 34.95 34.62 3fpw s ARG 19 CO 0.43 -0.07 0.00 0.41 -0.68 0.00 0.00 175.30 175.39 3fpw n GLY 20 N 4.33 0.23 0.00 -3.53 0.00 -1.26 -4.25 105.19 100.70 3fpw n GLY 20 Ca -0.12 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.80 3fpw n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fpw n GLY 21 N -1.18 -0.61 0.44 -0.02 0.00 -1.26 -1.54 105.19 101.02 3fpw n GLY 21 Ca 0.00 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.14 3fpw n GLY 21 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fpw n GLU 22 N -1.43 1.54 -4.38 1.61 1.02 -1.26 -4.92 120.64 112.82 3fpw n GLU 22 Ca 0.02 -0.88 -0.29 0.00 -0.02 0.00 0.00 57.16 55.99 3fpw n GLU 22 Cb 0.06 -1.48 -0.13 0.00 -0.02 0.00 0.00 31.44 29.87 3fpw n GLU 22 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3fpw s LEU 23 N -2.07 2.40 0.07 -4.62 1.43 -0.59 -4.90 118.68 110.40 3fpw s LEU 23 Ca 0.36 -0.74 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 3fpw s LEU 23 Cb 0.21 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 3fpw s LEU 23 CO 0.36 0.17 0.04 0.28 0.23 0.00 0.00 176.35 177.43 3fpw s THR 24 N -1.17 0.18 0.09 5.49 -1.32 -1.26 -4.96 115.64 112.69 3fpw s THR 24 Ca 0.16 -1.68 0.06 0.00 -1.21 0.00 0.00 61.69 59.02 3fpw s THR 24 Cb -0.10 -1.56 -0.04 0.00 -1.51 0.00 0.00 72.50 69.30 3fpw s THR 24 CO 0.07 -0.84 -0.09 -1.10 -2.21 0.00 0.00 174.62 170.45 3fpw s GLN 25 N -3.93 2.20 0.26 7.08 -1.52 -1.26 -5.14 119.66 117.36 3fpw s GLN 25 Ca 0.09 -0.98 0.07 0.00 -1.95 0.00 0.00 55.36 52.59 3fpw s GLN 25 Cb 0.07 -2.34 -0.05 0.00 -0.22 0.00 0.00 33.01 30.47 3fpw s GLN 25 CO -0.08 0.52 -0.08 -1.54 -0.25 0.00 0.00 175.29 173.86 3fpw s SER 26 N -2.10 2.66 -0.02 5.90 1.04 -1.26 -5.16 113.70 114.77 3fpw s SER 26 Ca 0.21 -1.14 0.04 0.00 0.48 0.00 0.00 55.95 55.53 3fpw s SER 26 Cb -0.11 -0.15 -0.03 0.00 0.10 0.00 0.00 66.02 65.83 3fpw s SER 26 CO 0.13 -0.30 -0.12 -0.89 0.98 0.00 0.00 173.24 173.04 3fpw s THR 27 N -3.02 3.25 0.03 2.02 2.01 -1.26 -5.13 115.64 113.55 3fpw s THR 27 Ca 0.28 -0.80 -0.00 0.00 0.31 0.00 0.00 61.69 61.47 3fpw s THR 27 Cb 0.03 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 3fpw s THR 27 CO 0.10 0.48 -0.03 -1.00 -0.69 0.00 0.00 174.62 173.48 3fpw s HIS 28 N -0.86 0.39 0.36 4.92 3.76 -1.26 -4.83 115.29 117.78 3fpw s HIS 28 Ca 0.14 -0.77 -0.28 0.00 -0.15 0.00 0.00 55.06 54.00 3fpw s HIS 28 Cb -0.11 -0.29 -0.10 0.00 1.11 0.00 0.00 32.58 33.19 3fpw s HIS 28 CO 0.04 -0.27 1.37 -0.51 -0.85 0.00 0.00 174.74 174.52 3fpw s LEU 29 N -2.11 4.35 0.69 0.89 1.43 -1.26 -5.02 118.68 117.64 3fpw s LEU 29 Ca -0.06 2.81 -0.14 0.00 -1.03 0.00 0.00 54.13 55.72 3fpw s LEU 29 Cb -0.02 -3.70 0.01 0.00 0.03 0.00 0.00 46.19 42.51 3fpw s LEU 29 CO -0.05 -0.72 1.11 0.42 0.23 0.00 0.00 176.35 177.35 3fpw s THR 30 N -1.15 3.19 0.26 5.49 -4.23 -1.26 -4.84 115.64 113.10 3fpw s THR 30 Ca 0.52 0.52 -0.01 0.00 -1.18 0.00 0.00 61.69 61.53 3fpw s THR 30 Cb -0.42 -3.03 0.24 0.00 1.34 0.00 0.00 72.50 70.63 3fpw s THR 30 CO 0.56 -0.38 1.75 0.25 -0.54 0.00 0.00 174.62 176.26 3fpw h LEU 31 N -0.24 0.45 -0.50 4.79 5.85 -1.97 -0.13 115.31 123.57 3fpw h LEU 31 Ca -0.46 0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.44 3fpw h LEU 31 Cb 1.25 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.25 3fpw h LEU 31 CO 0.53 0.18 0.14 -0.08 -0.34 0.00 0.00 178.44 178.86 3fpw h GLU 32 N 0.56 0.28 -0.27 1.25 4.81 -1.99 0.73 114.58 119.95 3fpw h GLU 32 Ca 0.46 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.57 3fpw h GLU 32 Cb 0.68 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3fpw h GLU 32 CO -0.38 0.19 -0.21 0.00 -0.73 0.00 0.00 179.01 177.87 3fpw h ALA 33 N 1.36 0.39 -0.83 2.92 0.00 -1.73 -1.16 119.26 120.23 3fpw h ALA 33 Ca 0.24 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3fpw h ALA 33 Cb 0.30 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3fpw h ALA 33 CO -0.29 0.34 0.44 0.00 0.00 0.00 0.00 179.25 179.74 3fpw h ALA 34 N 0.71 1.21 -0.39 0.00 0.00 -0.74 -1.39 119.26 118.67 3fpw h ALA 34 Ca 0.05 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3fpw h ALA 34 Cb 0.76 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3fpw h ALA 34 CO 0.06 0.63 0.05 1.15 0.00 0.00 0.00 179.25 181.13 3fpw h THR 35 N 1.16 1.24 -0.59 0.00 2.02 -0.77 -1.10 112.91 114.88 3fpw h THR 35 Ca 0.29 -0.88 0.04 0.00 0.77 0.00 0.00 66.41 66.63 3fpw h THR 35 Cb 0.05 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 3fpw h THR 35 CO -0.04 0.30 0.34 0.50 0.37 0.00 0.00 175.52 176.99 3fpw h LYS 36 N 0.49 0.64 -0.27 6.66 3.64 -0.84 -0.17 116.57 126.72 3fpw h LYS 36 Ca 0.12 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 3fpw h LYS 36 Cb 0.38 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3fpw h LYS 36 CO 0.01 0.42 -0.01 0.00 -2.27 0.00 0.00 179.45 177.61 3fpw h ALA 37 N 1.28 0.36 -0.35 5.00 0.00 -1.15 -1.35 119.26 123.05 3fpw h ALA 37 Ca 0.25 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3fpw h ALA 37 Cb 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3fpw h ALA 37 CO -0.13 0.11 0.23 0.00 0.00 0.00 0.00 179.25 179.47 3fpw h ALA 38 N 0.81 0.44 -0.66 0.00 0.00 -0.90 -1.73 119.26 117.23 3fpw h ALA 38 Ca 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3fpw h ALA 38 Cb 0.44 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3fpw h ALA 38 CO 0.02 -0.10 0.33 0.00 0.00 0.00 0.00 179.25 179.50 3fpw h ARG 39 N 0.47 0.93 -0.35 0.00 3.08 -0.94 -1.79 114.38 115.78 3fpw h ARG 39 Ca 0.13 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 3fpw h ARG 39 Cb -0.05 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 3fpw h ARG 39 CO -0.03 0.71 -0.13 0.00 -1.07 0.00 0.00 179.97 179.45 3fpw h ALA 40 N 1.43 1.11 -0.27 0.04 0.00 -0.71 0.33 119.26 121.19 3fpw h ALA 40 Ca 0.23 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3fpw h ALA 40 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3fpw h ALA 40 CO -0.03 0.55 -0.08 0.00 0.00 0.00 0.00 179.25 179.69 3fpw h ALA 41 N 1.29 0.37 -0.37 0.00 0.00 -0.77 -1.02 119.26 118.76 3fpw h ALA 41 Ca 0.10 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3fpw h ALA 41 Cb 0.56 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3fpw h ALA 41 CO 0.04 0.20 0.24 0.28 0.00 0.00 0.00 179.25 180.00 3fpw h VAL 42 N 0.28 1.08 -0.87 0.00 2.07 -1.06 -1.79 116.25 115.96 3fpw h VAL 42 Ca 0.07 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3fpw h VAL 42 Cb 0.57 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 3fpw h VAL 42 CO 0.03 0.09 0.55 -0.33 0.02 0.00 0.00 177.57 177.92 3fpw h GLU 43 N 0.48 1.16 -0.46 1.57 5.08 -0.79 0.16 114.58 121.78 3fpw h GLU 43 Ca 0.14 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3fpw h GLU 43 Cb -0.04 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 28.94 3fpw h GLU 43 CO -0.04 0.79 0.09 0.00 -1.00 0.00 0.00 179.01 178.85 3fpw h ALA 44 N 1.42 0.61 -0.57 3.43 0.00 -0.88 -0.99 119.26 122.28 3fpw h ALA 44 Ca 0.31 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3fpw h ALA 44 Cb -0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3fpw h ALA 44 CO -0.06 0.32 0.24 0.00 0.00 0.00 0.00 179.25 179.75 3fpw h ALA 45 N 0.96 0.74 -0.54 0.00 0.00 -0.67 -3.03 119.26 116.72 3fpw h ALA 45 Ca 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3fpw h ALA 45 Cb 0.36 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3fpw h ALA 45 CO 0.01 0.33 0.26 0.93 0.00 0.00 0.00 179.25 180.77 3fpw h GLU 46 N 0.78 0.75 -0.37 0.00 4.39 -0.42 0.37 114.58 120.08 3fpw h GLU 46 Ca 0.19 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3fpw h GLU 46 Cb 0.17 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3fpw h GLU 46 CO -0.02 0.59 0.25 -0.22 -1.16 0.00 0.00 179.01 178.44 3fpw h LYS 47 N 0.75 0.48 -0.19 2.33 3.64 -1.07 -1.75 116.57 120.77 3fpw h LYS 47 Ca 0.19 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3fpw h LYS 47 Cb 0.08 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3fpw h LYS 47 CO -0.02 0.32 0.00 -0.25 -2.27 0.00 0.00 179.45 177.23 3fpw n ASP 48 N -4.48 2.29 -0.74 4.20 8.00 -0.59 -4.94 116.55 120.29 3fpw n ASP 48 Ca 0.03 -1.79 -0.08 0.00 0.71 0.00 0.00 54.79 53.66 3fpw n ASP 48 Cb 0.07 -0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.03 3fpw n ASP 48 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fpw n GLY 49 N 1.26 0.44 3.95 0.44 0.00 -0.66 -5.04 105.19 105.59 3fpw n GLY 49 Ca 0.17 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 3fpw n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fpw s ARG 50 N -3.64 3.46 -0.26 1.61 3.00 0.02 -5.00 118.95 118.14 3fpw s ARG 50 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 55.73 55.17 3fpw s ARG 50 Cb 0.00 -2.90 0.07 0.00 0.00 0.00 0.00 34.95 32.12 3fpw s ARG 50 CO 0.00 0.45 -0.03 -1.01 0.00 0.00 0.00 175.30 174.71 3fpw s HIS 51 N -1.87 2.63 0.14 -0.53 3.76 -1.26 -3.93 115.29 114.23 3fpw s HIS 51 Ca 0.35 -2.00 0.04 0.00 -0.15 0.00 0.00 55.06 53.30 3fpw s HIS 51 Cb -0.10 -1.83 -0.04 0.00 1.11 0.00 0.00 32.58 31.71 3fpw s HIS 51 CO 0.29 -0.82 -0.10 0.14 -0.85 0.00 0.00 174.74 173.40 3fpw s VAL 52 N 1.31 1.13 0.12 -0.90 -7.23 -1.26 -4.32 120.40 109.25 3fpw s VAL 52 Ca -0.02 -2.05 0.04 0.00 -1.81 0.00 0.00 61.98 58.14 3fpw s VAL 52 Cb -0.19 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 3fpw s VAL 52 CO -0.08 -0.75 0.10 -0.44 -0.31 0.00 0.00 175.10 173.62 3fpw s SER 53 N -3.16 5.48 -0.01 4.85 0.01 -0.24 -0.15 113.70 120.48 3fpw s SER 53 Ca 0.16 -0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.35 3fpw s SER 53 Cb 0.03 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.82 3fpw s SER 53 CO 0.00 0.12 -0.06 -0.69 0.41 0.00 0.00 173.24 173.02 3fpw s VAL 54 N -1.57 0.50 0.03 3.43 1.01 -0.07 -1.66 120.40 122.07 3fpw s VAL 54 Ca 0.30 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.09 3fpw s VAL 54 Cb -0.11 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 3fpw s VAL 54 CO 0.22 0.16 -0.13 0.00 0.00 0.00 0.00 175.10 175.35 3fpw s ALA 55 N 0.07 1.11 -0.15 5.51 0.00 -0.06 -1.04 121.76 127.19 3fpw s ALA 55 Ca -0.00 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.19 3fpw s ALA 55 Cb -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.90 3fpw s ALA 55 CO -0.00 0.21 -0.18 0.08 0.00 0.00 0.00 175.76 175.87 3fpw s VAL 56 N -0.79 2.39 -0.10 0.00 1.01 0.20 -0.63 120.40 122.49 3fpw s VAL 56 Ca 0.01 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.18 3fpw s VAL 56 Cb -0.07 -1.99 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 3fpw s VAL 56 CO 0.01 0.53 -0.24 -0.69 0.00 0.00 0.00 175.10 174.71 3fpw s VAL 57 N 0.89 2.09 0.71 2.92 1.01 -0.15 -0.31 120.40 127.57 3fpw s VAL 57 Ca -0.04 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 60.79 3fpw s VAL 57 Cb -0.15 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.46 3fpw s VAL 57 CO -0.02 0.56 1.10 -0.62 0.00 0.00 0.00 175.10 176.12 3fpw s ASP 58 N 0.28 4.85 0.62 3.32 2.15 0.63 -0.20 116.67 128.32 3fpw s ASP 58 Ca -0.17 1.93 0.33 0.00 0.43 0.00 0.00 52.55 55.07 3fpw s ASP 58 Cb -0.17 -2.54 1.87 0.00 -0.30 0.00 0.00 42.92 41.77 3fpw s ASP 58 CO 0.08 -1.80 2.18 -0.09 -0.17 0.00 0.00 175.17 175.37 3fpw h ARG 59 N -0.45 0.00 -0.01 4.34 9.65 -1.51 -0.41 114.38 125.98 3fpw h ARG 59 Ca -0.45 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 3fpw h ARG 59 Cb 1.24 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 3fpw h ARG 59 CO 0.53 0.00 -0.10 0.27 2.80 0.00 0.00 179.97 183.46 3fpw n ASN 60 N -3.55 1.13 0.00 -3.80 0.23 -1.26 -4.87 115.26 103.14 3fpw n ASN 60 Ca -0.01 -1.15 0.00 0.00 -0.53 0.00 0.00 54.58 52.89 3fpw n ASN 60 Cb 0.22 0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.96 3fpw n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fpw n GLY 61 N 1.24 1.04 3.74 4.83 0.00 -0.16 -5.06 105.19 110.81 3fpw n GLY 61 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3fpw n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fpw s ASN 62 N -0.46 7.52 0.06 1.61 0.01 -1.25 -4.77 114.94 117.67 3fpw s ASN 62 Ca 0.00 1.82 -0.31 0.00 -0.71 0.00 0.00 52.86 53.66 3fpw s ASN 62 Cb 0.00 -2.58 -0.06 0.00 0.41 0.00 0.00 41.25 39.01 3fpw s ASN 62 CO 0.00 0.02 1.28 -0.89 -1.51 0.00 0.00 177.10 176.00 3fpw s THR 63 N -0.40 3.78 -0.24 1.60 2.01 -1.26 -0.27 115.64 120.86 3fpw s THR 63 Ca 0.44 1.26 0.04 0.00 0.31 0.00 0.00 61.69 63.74 3fpw s THR 63 Cb -0.24 -3.81 -0.19 0.00 0.01 0.00 0.00 72.50 68.28 3fpw s THR 63 CO 0.30 0.08 -0.14 0.18 -0.69 0.00 0.00 174.62 174.35 3fpw n LEU 64 N 4.18 2.42 -3.79 4.42 4.77 0.58 -4.91 117.00 124.66 3fpw n LEU 64 Ca 0.10 -0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 3fpw n LEU 64 Cb 0.45 -0.66 -0.13 0.00 -2.33 0.00 0.00 43.42 40.75 3fpw n LEU 64 CO 0.57 0.85 -0.17 -0.69 -1.33 0.00 0.00 177.39 176.62 3fpw s VAL 65 N -2.52 -0.01 0.03 4.08 1.01 -1.08 -4.98 120.40 116.93 3fpw s VAL 65 Ca -0.30 0.04 0.04 0.00 0.00 0.00 0.00 61.98 61.76 3fpw s VAL 65 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.18 3fpw s VAL 65 CO 0.65 0.02 -0.12 0.42 0.00 0.00 0.00 175.10 176.07 3fpw s THR 66 N 0.35 0.91 -0.04 3.92 -4.23 -1.26 -0.63 115.64 114.67 3fpw s THR 66 Ca -0.02 -0.89 -0.01 0.00 -1.18 0.00 0.00 61.69 59.59 3fpw s THR 66 Cb -0.04 -0.84 0.03 0.00 1.34 0.00 0.00 72.50 73.00 3fpw s THR 66 CO -0.01 -0.04 0.04 -0.76 -0.54 0.00 0.00 174.62 173.31 3fpw s LEU 67 N -1.04 0.44 -0.43 4.79 1.43 -0.21 -5.00 118.68 118.65 3fpw s LEU 67 Ca -0.00 0.04 -0.16 0.00 -1.03 0.00 0.00 54.13 52.98 3fpw s LEU 67 Cb -0.07 -0.18 0.04 0.00 0.03 0.00 0.00 46.19 46.00 3fpw s LEU 67 CO 0.01 -0.21 0.37 -0.60 0.23 0.00 0.00 176.35 176.15 3fpw s ARG 68 N 1.87 3.00 0.55 1.70 3.52 -1.26 -0.89 118.95 127.45 3fpw s ARG 68 Ca 0.02 -1.05 -0.21 0.00 -0.13 0.00 0.00 55.73 54.35 3fpw s ARG 68 Cb -0.12 -4.02 -0.05 0.00 -1.56 0.00 0.00 34.95 29.19 3fpw s ARG 68 CO -0.03 -0.87 1.18 0.41 -0.81 0.00 0.00 175.30 175.18 3fpw n GLY 69 N 5.16 0.28 3.68 8.12 0.00 0.79 -4.90 105.19 118.33 3fpw n GLY 69 Ca -0.10 -0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.44 3fpw n GLY 69 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fpw n ASP 70 N -0.78 3.53 0.00 1.61 8.00 -1.26 -1.58 116.55 126.08 3fpw n ASP 70 Ca 0.12 1.03 0.00 0.00 0.71 0.00 0.00 54.79 56.65 3fpw n ASP 70 Cb 0.45 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 3fpw n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fpw n GLY 71 N 3.92 0.86 3.77 0.44 0.00 -1.26 -4.72 105.19 108.19 3fpw n GLY 71 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3fpw n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fpw s ALA 72 N -3.40 3.37 0.75 4.61 0.00 -0.61 -4.90 121.76 121.57 3fpw s ALA 72 Ca 0.00 1.16 -0.15 0.00 0.00 0.00 0.00 51.96 52.97 3fpw s ALA 72 Cb 0.00 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.72 3fpw s ALA 72 CO 0.00 -0.60 1.23 0.20 0.00 0.00 0.00 175.76 176.59 3fpw s GLY 73 N -0.71 2.41 0.44 0.00 0.00 -1.26 -4.88 107.32 103.31 3fpw s GLY 73 Ca 0.52 0.97 0.29 0.00 0.00 0.00 0.00 44.72 46.50 3fpw s GLY 73 CO 0.48 1.39 1.86 -0.56 0.00 0.00 0.00 173.10 176.27 3fpw h PRO 74 N -0.36 0.00 0.00 2.90 0.13 -2.01 -1.42 132.00 131.24 3fpw h PRO 74 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3fpw h PRO 74 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3fpw h PRO 74 CO 0.49 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.26 3fpw n GLN 75 N -2.81 0.27 0.20 0.86 0.00 -1.26 -4.09 117.38 110.55 3fpw n GLN 75 Ca 0.02 0.23 0.07 0.00 0.00 0.00 0.00 57.00 57.32 3fpw n GLN 75 Cb 0.32 -1.82 0.36 0.00 0.00 0.00 0.00 30.24 29.09 3fpw n GLN 75 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3fpw h SER 76 N 0.00 0.00 0.20 2.61 4.64 -1.58 -2.91 113.55 116.51 3fpw h SER 76 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3fpw h SER 76 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3fpw h SER 76 CO 0.00 0.33 -0.10 0.22 -0.87 0.00 0.00 176.83 176.41 3fpw h TYR 77 N 0.00 -0.25 -0.26 4.77 5.03 -1.75 -0.30 116.97 124.21 3fpw h TYR 77 Ca -0.00 -0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.20 3fpw h TYR 77 Cb 0.88 0.08 -0.01 0.00 1.55 0.00 0.00 36.73 39.23 3fpw h TYR 77 CO 0.00 0.15 -0.27 0.93 -1.32 0.00 0.00 178.16 177.65 3fpw h GLU 78 N -0.75 0.52 -0.22 1.82 5.08 -1.84 -2.38 114.58 116.81 3fpw h GLU 78 Ca -0.03 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3fpw h GLU 78 Cb 0.51 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 3fpw h GLU 78 CO 0.05 0.74 0.05 0.77 -1.00 0.00 0.00 179.01 179.62 3fpw h SER 79 N 0.46 0.04 -0.61 1.42 0.02 -1.42 -0.41 113.55 113.04 3fpw h SER 79 Ca 0.06 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3fpw h SER 79 Cb 0.70 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 3fpw h SER 79 CO 0.05 0.05 0.38 0.00 -1.14 0.00 0.00 176.83 176.17 3fpw h ALA 80 N 1.15 0.78 -0.29 3.77 0.00 -0.83 -0.56 119.26 123.27 3fpw h ALA 80 Ca 0.10 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3fpw h ALA 80 Cb 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3fpw h ALA 80 CO -0.12 0.25 0.17 0.93 0.00 0.00 0.00 179.25 180.48 3fpw h GLU 81 N 0.83 0.33 -0.41 0.00 5.08 -1.09 -1.43 114.58 117.90 3fpw h GLU 81 Ca 0.22 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.44 3fpw h GLU 81 Cb -0.04 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3fpw h GLU 81 CO -0.04 0.22 -0.23 0.00 -1.00 0.00 0.00 179.01 177.96 3fpw h ARG 82 N 0.34 0.83 -0.47 2.33 3.08 -0.74 -1.62 114.38 118.13 3fpw h ARG 82 Ca 0.12 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3fpw h ARG 82 Cb 0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3fpw h ARG 82 CO -0.06 0.98 0.30 0.87 -1.07 0.00 0.00 179.97 180.99 3fpw h LYS 83 N 0.72 0.63 -0.44 0.04 1.57 -0.88 -0.87 116.57 117.34 3fpw h LYS 83 Ca 0.10 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3fpw h LYS 83 Cb 0.76 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 3fpw h LYS 83 CO 0.06 0.44 0.27 0.00 -0.57 0.00 0.00 179.45 179.65 3fpw h ALA 84 N 1.16 0.56 -1.00 3.86 0.00 -1.04 -0.81 119.26 121.98 3fpw h ALA 84 Ca 0.17 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3fpw h ALA 84 Cb -0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3fpw h ALA 84 CO -0.04 -0.03 0.66 0.35 0.00 0.00 0.00 179.25 180.20 3fpw h PHE 85 N 0.56 1.24 -0.20 0.00 3.04 -1.10 -2.05 116.94 118.42 3fpw h PHE 85 Ca 0.17 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 62.04 3fpw h PHE 85 Cb -0.03 -0.42 -0.00 0.00 2.56 0.00 0.00 35.95 38.07 3fpw h PHE 85 CO -0.06 0.74 -0.31 1.15 -2.02 0.00 0.00 178.31 177.81 3fpw h THR 86 N 1.31 1.33 -0.74 4.41 2.02 -0.70 -1.60 112.91 118.94 3fpw h THR 86 Ca 0.39 -1.53 0.00 0.00 0.77 0.00 0.00 66.41 66.04 3fpw h THR 86 Cb -0.07 1.82 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 3fpw h THR 86 CO -0.11 0.47 0.48 0.00 0.37 0.00 0.00 175.52 176.73 3fpw h ALA 87 N 0.62 0.93 0.00 6.16 0.00 -1.02 -2.67 119.26 123.29 3fpw h ALA 87 Ca 0.02 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3fpw h ALA 87 Cb 0.90 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3fpw h ALA 87 CO 0.07 0.37 -0.54 -0.24 0.00 0.00 0.00 179.25 178.91 3fpw h VAL 88 N 1.00 1.06 -0.53 0.00 3.04 -1.31 0.15 116.25 119.65 3fpw h VAL 88 Ca 0.27 -2.11 -0.10 0.00 -1.01 0.00 0.00 66.70 63.75 3fpw h VAL 88 Cb -0.10 2.26 -0.02 0.00 -2.01 0.00 0.00 31.29 31.42 3fpw h VAL 88 CO -0.06 0.53 -0.08 0.28 -1.01 0.00 0.00 177.57 177.23 3fpw h SER 89 N 0.00 0.96 -0.09 3.17 0.02 -1.02 -3.24 113.55 113.34 3fpw h SER 89 Ca -0.01 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 3fpw h SER 89 Cb 1.22 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.49 3fpw h SER 89 CO 0.07 1.06 0.00 0.79 -1.14 0.00 0.00 176.83 177.61 3fpw n TRP 90 N -4.16 0.11 -3.80 3.45 8.01 -1.03 -5.00 117.44 115.02 3fpw n TRP 90 Ca 0.02 -0.09 -0.23 0.00 -1.31 0.00 0.00 57.50 55.89 3fpw n TRP 90 Cb 0.38 -0.00 0.01 0.00 -2.01 0.00 0.00 31.31 29.69 3fpw n TRP 90 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 3fpw n ASN 91 N 0.80 -0.89 -3.62 -0.99 5.15 0.47 -4.98 115.26 111.20 3fpw n ASN 91 Ca 0.09 -0.89 -0.16 0.00 -0.60 0.00 0.00 54.58 53.03 3fpw n ASN 91 Cb 0.38 -3.69 -0.07 0.00 -0.53 0.00 0.00 39.78 35.87 3fpw n ASN 91 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fpw s ALA 92 N -3.77 -1.37 0.44 5.20 0.00 -0.91 -4.94 121.76 116.42 3fpw s ALA 92 Ca 0.01 0.91 -0.25 0.00 0.00 0.00 0.00 51.96 52.63 3fpw s ALA 92 Cb -0.01 0.04 -0.08 0.00 0.00 0.00 0.00 23.12 23.07 3fpw s ALA 92 CO 0.84 -0.33 1.36 -2.14 0.00 0.00 0.00 175.76 175.49 3fpw s PRO 93 N -1.28 3.76 0.49 0.00 0.02 -1.26 -4.35 135.00 132.39 3fpw s PRO 93 Ca -0.12 2.28 0.28 0.00 0.02 0.00 0.00 61.00 63.46 3fpw s PRO 93 Cb -0.02 -2.66 1.13 0.00 0.02 0.00 0.00 34.50 32.97 3fpw s PRO 93 CO 0.07 -0.71 1.90 1.79 -0.33 0.00 0.00 177.00 179.73 3fpw h THR 94 N 2.29 0.29 -0.88 0.99 1.35 -1.33 -1.36 112.91 114.25 3fpw h THR 94 Ca -0.50 -0.82 0.05 0.00 -0.55 0.00 0.00 66.41 64.58 3fpw h THR 94 Cb 1.26 1.64 -0.06 0.00 -1.73 0.00 0.00 68.15 69.26 3fpw h THR 94 CO 0.61 0.11 0.56 0.77 -0.25 0.00 0.00 175.52 177.33 3fpw h SER 95 N 0.00 0.92 -0.29 5.36 4.64 -1.80 -0.69 113.55 121.68 3fpw h SER 95 Ca -0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.21 3fpw h SER 95 Cb 0.63 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3fpw h SER 95 CO 0.01 0.61 -0.27 -0.08 -0.87 0.00 0.00 176.83 176.24 3fpw h GLU 96 N 1.07 0.70 -0.38 4.77 4.81 -1.64 -3.23 114.58 120.67 3fpw h GLU 96 Ca 0.37 -0.36 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3fpw h GLU 96 Cb 0.08 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3fpw h GLU 96 CO -0.14 0.97 -0.04 -0.07 -0.73 0.00 0.00 179.01 179.00 3fpw h LEU 97 N 0.44 0.59 -1.62 1.64 3.38 -1.08 -2.60 115.31 116.06 3fpw h LEU 97 Ca 0.05 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3fpw h LEU 97 Cb 0.83 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3fpw h LEU 97 CO 0.07 0.69 0.20 0.00 0.09 0.00 0.00 178.44 179.49 3fpw h ALA 98 N 1.38 1.72 0.00 1.53 0.00 -1.15 -1.15 119.26 121.60 3fpw h ALA 98 Ca 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3fpw h ALA 98 Cb 0.42 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3fpw h ALA 98 CO 0.02 0.25 -0.10 0.87 0.00 0.00 0.00 179.25 180.29 3fpw h LYS 99 N 0.46 0.00 0.00 0.00 1.57 -1.54 -2.50 116.57 114.56 3fpw h LYS 99 Ca 0.12 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3fpw h LYS 99 Cb -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 3fpw h LYS 99 CO -0.02 0.10 -0.01 0.00 -0.57 0.00 0.00 179.45 178.95 3fpw h ARG 100 N 0.00 0.00 0.00 3.15 3.08 -1.22 -2.77 114.38 116.62 3fpw h ARG 100 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3fpw h ARG 100 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 3fpw h ARG 100 CO 0.01 0.01 0.00 -0.07 -1.07 0.00 0.00 179.97 178.85 3fpw h LEU 101 N 0.00 0.00 -0.73 3.04 3.38 -1.51 -0.77 115.31 118.72 3fpw h LEU 101 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3fpw h LEU 101 Cb 0.42 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3fpw h LEU 101 CO 0.00 0.00 0.29 0.00 0.09 0.00 0.00 178.44 178.82 3fpw h ALA 102 N 2.04 0.95 0.07 1.53 0.00 -1.70 -2.74 119.26 119.41 3fpw h ALA 102 Ca 0.00 -0.19 -0.36 0.00 0.00 0.00 0.00 54.91 54.36 3fpw h ALA 102 Cb 0.18 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3fpw h ALA 102 CO 0.00 0.57 -2.13 1.04 0.00 0.00 0.00 179.25 178.73 3fpw n GLN 103 N -4.34 0.71 -3.58 0.00 6.02 -0.96 -4.70 117.38 110.54 3fpw n GLN 103 Ca 0.06 0.22 -0.28 0.00 -0.01 0.00 0.00 57.00 56.99 3fpw n GLN 103 Cb 0.18 -1.65 -0.09 0.00 1.02 0.00 0.00 30.24 29.70 3fpw n GLN 103 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3fpw n ALA 104 N -3.01 3.88 0.31 -1.58 0.00 -0.34 -4.95 120.51 114.82 3fpw n ALA 104 Ca -0.34 -4.70 0.19 0.00 0.00 0.00 0.00 53.44 48.59 3fpw n ALA 104 Cb 1.04 -0.98 0.91 0.00 0.00 0.00 0.00 19.45 20.42 3fpw n ALA 104 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3fpw h PRO 105 N 4.62 0.00 -0.16 0.00 0.13 -1.73 -2.26 132.00 132.60 3fpw h PRO 105 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3fpw h PRO 105 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3fpw h PRO 105 CO 0.81 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.83 3fpw n THR 106 N -3.00 0.20 -0.27 1.56 -2.24 -1.26 -3.71 114.28 105.56 3fpw n THR 106 Ca -0.01 -0.37 0.13 0.00 -2.27 0.00 0.00 64.05 61.52 3fpw n THR 106 Cb 0.18 0.48 0.39 0.00 -2.10 0.00 0.00 70.33 69.28 3fpw n THR 106 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3fpw h LEU 107 N 2.51 0.63 0.00 3.22 3.38 -1.80 -1.48 115.31 121.77 3fpw h LEU 107 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3fpw h LEU 107 Cb 0.55 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3fpw h LEU 107 CO 0.00 0.31 0.00 2.29 0.09 0.00 0.00 178.44 181.13 3fpw n LYS 108 N -4.56 0.42 0.00 1.13 2.85 -1.24 -1.86 118.16 114.89 3fpw n LYS 108 Ca 0.18 0.06 0.13 0.00 -1.05 0.00 0.00 58.31 57.63 3fpw n LYS 108 Cb 0.49 -1.50 0.44 0.00 -0.65 0.00 0.00 35.03 33.82 3fpw n LYS 108 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3fpw n ASP 109 N -1.20 0.58 -4.70 -5.58 8.00 -0.56 -4.84 116.55 108.26 3fpw n ASP 109 Ca 0.12 -0.45 -0.42 0.00 0.71 0.00 0.00 54.79 54.75 3fpw n ASP 109 Cb 0.14 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 3fpw n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fpw s ILE 110 N -2.69 3.42 0.35 0.53 1.01 -0.78 -4.93 121.20 118.12 3fpw s ILE 110 Ca 0.21 0.91 -0.28 0.00 0.00 0.00 0.00 60.65 61.49 3fpw s ILE 110 Cb 0.19 -3.59 -0.12 0.00 0.01 0.00 0.00 42.46 38.95 3fpw s ILE 110 CO 0.56 0.02 1.27 -2.65 0.00 0.00 0.00 174.94 174.14 3fpw n PRO 111 N 4.91 2.06 -0.58 2.79 -0.02 -1.26 -2.90 135.00 140.00 3fpw n PRO 111 Ca 0.13 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3fpw n PRO 111 Cb 0.42 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3fpw n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fpw n GLY 112 N 0.80 1.08 3.94 -1.23 0.00 -1.26 -5.03 105.19 103.50 3fpw n GLY 112 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 3fpw n GLY 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fpw s THR 113 N -3.28 5.11 -0.25 2.61 -4.23 -1.14 -4.68 115.64 109.78 3fpw s THR 113 Ca 0.00 -0.45 -0.02 0.00 -1.18 0.00 0.00 61.69 60.04 3fpw s THR 113 Cb 0.00 -3.85 0.13 0.00 1.34 0.00 0.00 72.50 70.12 3fpw s THR 113 CO 0.00 -0.52 0.34 -0.22 -0.54 0.00 0.00 174.62 173.68 3fpw s LEU 114 N -4.21 -0.48 -1.24 4.79 2.96 -1.25 -4.96 118.68 114.28 3fpw s LEU 114 Ca 0.40 -0.08 -0.09 0.00 -0.22 0.00 0.00 54.13 54.15 3fpw s LEU 114 Cb -0.10 0.87 0.19 0.00 0.50 0.00 0.00 46.19 47.66 3fpw s LEU 114 CO 0.35 -0.32 1.78 0.49 -1.32 0.00 0.00 176.35 177.33 3fpw n PHE 115 N 5.35 2.92 -3.72 5.38 3.01 -1.26 -4.49 117.46 124.64 3fpw n PHE 115 Ca -0.03 -2.78 -0.13 0.00 1.01 0.00 0.00 57.45 55.52 3fpw n PHE 115 Cb 0.49 -1.83 -0.13 0.00 -0.01 0.00 0.00 39.48 38.01 3fpw n PHE 115 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3fpw s LEU 116 N -0.57 0.34 0.15 4.37 2.96 -1.26 -4.50 118.68 120.17 3fpw s LEU 116 Ca 0.38 0.53 -0.32 0.00 -0.22 0.00 0.00 54.13 54.49 3fpw s LEU 116 Cb 0.08 0.72 -0.17 0.00 0.50 0.00 0.00 46.19 47.32 3fpw s LEU 116 CO 0.02 -0.17 0.91 0.00 -1.32 0.00 0.00 176.35 175.79 3fpw n ALA 117 N 4.35 -2.13 0.00 5.97 0.00 -1.26 -4.29 120.51 123.15 3fpw n ALA 117 Ca -0.23 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3fpw n ALA 117 Cb 0.53 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3fpw n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fpw n GLY 118 N 1.82 -0.15 3.53 0.00 0.00 -1.24 -4.50 105.19 104.65 3fpw n GLY 118 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3fpw n GLY 118 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fpw s GLY 119 N -0.05 1.63 0.00 -0.02 0.00 -1.26 -1.09 107.32 106.54 3fpw s GLY 119 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.73 3fpw s GLY 119 CO 0.00 -0.81 -0.01 -1.08 0.00 0.00 0.00 173.10 171.20 3fpw s THR 120 N -0.84 0.06 0.49 0.90 -1.32 0.17 -0.94 115.64 114.15 3fpw s THR 120 Ca 0.13 -0.18 -0.06 0.00 -1.21 0.00 0.00 61.69 60.37 3fpw s THR 120 Cb -0.11 -0.08 -0.04 0.00 -1.51 0.00 0.00 72.50 70.76 3fpw s THR 120 CO 0.03 -0.08 0.81 -2.16 -2.21 0.00 0.00 174.62 171.01 3fpw s PRO 121 N -0.27 3.58 -0.03 7.08 0.04 -1.26 -1.15 135.00 142.98 3fpw s PRO 121 Ca -0.03 0.30 0.04 0.00 0.04 0.00 0.00 61.00 61.35 3fpw s PRO 121 Cb -0.02 -2.34 -0.00 0.00 0.04 0.00 0.00 34.50 32.18 3fpw s PRO 121 CO -0.00 -0.23 -0.15 0.08 0.04 0.00 0.00 177.00 176.74 3fpw s VAL 122 N -2.76 1.26 0.40 -0.36 1.01 0.13 -4.92 120.40 115.16 3fpw s VAL 122 Ca 0.49 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.91 3fpw s VAL 122 Cb -0.10 -1.08 -0.07 0.00 0.00 0.00 0.00 36.38 35.13 3fpw s VAL 122 CO 0.44 0.37 0.05 0.42 0.00 0.00 0.00 175.10 176.38 3fpw s THR 123 N 0.00 2.18 -0.13 3.92 -4.23 -1.26 -0.65 115.64 115.48 3fpw s THR 123 Ca -0.02 -1.93 -0.06 0.00 -1.18 0.00 0.00 61.69 58.51 3fpw s THR 123 Cb -0.10 -2.95 0.05 0.00 1.34 0.00 0.00 72.50 70.85 3fpw s THR 123 CO 0.01 -0.04 0.29 0.00 -0.54 0.00 0.00 174.62 174.34 3fpw s ALA 124 N -2.65 -0.69 -1.49 3.99 0.00 -0.07 -4.80 121.76 116.05 3fpw s ALA 124 Ca 0.37 1.12 -0.05 0.00 0.00 0.00 0.00 51.96 53.40 3fpw s ALA 124 Cb 0.06 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.40 3fpw s ALA 124 CO 0.19 -0.32 0.47 1.63 0.00 0.00 0.00 175.76 177.74 3fpw n LYS 125 N 4.50 -4.03 -0.34 0.00 5.02 -1.26 -1.46 118.16 120.58 3fpw n LYS 125 Ca -0.21 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 3fpw n LYS 125 Cb 0.53 -5.60 0.00 0.00 -0.02 0.00 0.00 35.03 29.94 3fpw n LYS 125 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fpw n GLY 126 N -1.34 2.10 3.65 0.72 0.00 -1.26 -5.02 105.19 104.05 3fpw n GLY 126 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 3fpw n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fpw s ALA 127 N -3.26 3.20 0.24 4.61 0.00 -0.54 -5.04 121.76 120.97 3fpw s ALA 127 Ca 0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.70 3fpw s ALA 127 Cb 0.00 -1.28 -0.10 0.00 0.00 0.00 0.00 23.12 21.74 3fpw s ALA 127 CO 0.00 0.63 1.44 -1.25 0.00 0.00 0.00 175.76 176.58 3fpw s PRO 128 N -1.45 4.27 0.00 0.00 0.04 -1.26 -0.89 135.00 135.70 3fpw s PRO 128 Ca 0.18 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.51 3fpw s PRO 128 Cb -0.11 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.31 3fpw s PRO 128 CO 0.09 -0.42 0.00 1.33 0.04 0.00 0.00 177.00 178.04 3fpw n VAL 129 N 2.43 0.00 -3.59 -0.36 0.24 0.18 -4.77 118.33 112.46 3fpw n VAL 129 Ca 0.07 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.26 3fpw n VAL 129 Cb 0.40 0.19 -0.03 0.00 -1.47 0.00 0.00 33.84 32.93 3fpw n VAL 129 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fpw s ALA 130 N -1.99 -1.20 0.05 2.33 0.00 -1.07 -1.34 121.76 118.54 3fpw s ALA 130 Ca 0.00 0.10 0.08 0.00 0.00 0.00 0.00 51.96 52.14 3fpw s ALA 130 Cb 0.00 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 3fpw s ALA 130 CO 0.00 -0.75 -0.22 0.20 0.00 0.00 0.00 175.76 175.00 3fpw s GLY 131 N -2.81 1.16 -0.16 0.00 0.00 0.72 -0.69 107.32 105.54 3fpw s GLY 131 Ca 0.04 -1.09 -0.02 0.00 0.00 0.00 0.00 44.72 43.65 3fpw s GLY 131 CO -0.09 -1.02 -0.10 -0.42 0.00 0.00 0.00 173.10 171.47 3fpw s ILE 132 N -0.81 3.20 -0.01 0.90 1.01 -0.30 -0.97 121.20 124.21 3fpw s ILE 132 Ca 0.08 -0.59 0.07 0.00 0.00 0.00 0.00 60.65 60.22 3fpw s ILE 132 Cb -0.09 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 3fpw s ILE 132 CO 0.02 0.49 -0.23 -0.83 0.00 0.00 0.00 174.94 174.38 3fpw s GLY 133 N 0.76 1.15 -0.01 6.18 0.00 0.20 -0.66 107.32 114.95 3fpw s GLY 133 Ca -0.04 -1.02 0.03 0.00 0.00 0.00 0.00 44.72 43.68 3fpw s GLY 133 CO 0.01 -0.86 -0.08 0.14 0.00 0.00 0.00 173.10 172.31 3fpw s VAL 134 N -0.57 0.66 0.02 1.40 1.01 -0.25 -0.88 120.40 121.80 3fpw s VAL 134 Ca 0.09 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.63 3fpw s VAL 134 Cb -0.09 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.73 3fpw s VAL 134 CO -0.01 0.19 0.18 0.00 0.00 0.00 0.00 175.10 175.46 3fpw s ALA 135 N -0.16 -0.36 0.00 5.51 0.00 -0.66 -4.67 121.76 121.41 3fpw s ALA 135 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.77 3fpw s ALA 135 Cb -0.04 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.29 3fpw s ALA 135 CO -0.00 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.86 3fpw n GLY 136 N 0.96 1.83 3.85 0.00 0.00 -1.26 -1.08 105.19 109.49 3fpw n GLY 136 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 3fpw n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fpw s ALA 137 N -1.89 2.36 -0.60 4.61 0.00 -1.26 -4.61 121.76 120.38 3fpw s ALA 137 Ca 0.00 -0.49 0.20 0.00 0.00 0.00 0.00 51.96 51.67 3fpw s ALA 137 Cb 0.00 -3.02 0.87 0.00 0.00 0.00 0.00 23.12 20.97 3fpw s ALA 137 CO 0.00 -1.78 1.61 -2.30 0.00 0.00 0.00 175.76 173.30 3fpw n PRO 138 N -3.42 0.13 -3.82 0.00 -0.02 -1.26 -4.70 135.00 121.91 3fpw n PRO 138 Ca 0.07 0.41 -0.11 0.00 -2.02 0.00 0.00 63.50 61.85 3fpw n PRO 138 Cb 0.59 -1.78 -0.08 0.00 -0.02 0.00 0.00 33.50 32.21 3fpw n PRO 138 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3fpw s SER 139 N -3.87 -0.01 0.39 2.55 1.04 -1.26 -5.03 113.70 107.50 3fpw s SER 139 Ca 0.04 -0.29 0.07 0.00 0.48 0.00 0.00 55.95 56.25 3fpw s SER 139 Cb 0.09 0.30 0.78 0.00 0.10 0.00 0.00 66.02 67.29 3fpw s SER 139 CO 0.32 -0.55 1.98 1.23 0.98 0.00 0.00 173.24 177.20 3fpw h GLY 140 N 3.49 0.48 1.08 7.32 0.00 -1.84 -1.19 103.07 112.41 3fpw h GLY 140 Ca -0.32 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 46.69 3fpw h GLY 140 CO 0.47 0.22 0.02 -0.55 0.00 0.00 0.00 176.54 176.70 3fpw h ASP 141 N 0.45 1.06 -0.36 0.19 3.32 -1.96 0.71 116.42 119.83 3fpw h ASP 141 Ca 0.11 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.82 3fpw h ASP 141 Cb 0.15 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3fpw h ASP 141 CO -0.01 1.10 0.06 -0.07 -1.72 0.00 0.00 179.24 178.61 3fpw h LEU 142 N 1.00 0.56 -0.66 1.55 3.38 -1.87 -1.16 115.31 118.11 3fpw h LEU 142 Ca 0.18 -0.25 0.14 0.00 0.09 0.00 0.00 57.88 58.03 3fpw h LEU 142 Cb 0.54 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.04 3fpw h LEU 142 CO 0.03 0.67 0.13 0.44 0.09 0.00 0.00 178.44 179.80 3fpw h ASP 143 N 0.43 -0.04 0.45 -0.43 3.32 -0.77 -1.62 116.42 117.77 3fpw h ASP 143 Ca 0.11 0.13 -0.12 0.00 0.02 0.00 0.00 57.03 57.18 3fpw h ASP 143 Cb 0.35 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3fpw h ASP 143 CO 0.01 -0.03 -0.52 -0.08 -1.72 0.00 0.00 179.24 176.89 3fpw h GLU 144 N 0.24 0.08 -0.46 3.56 4.81 -0.51 -0.75 114.58 121.55 3fpw h GLU 144 Ca 0.36 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.61 3fpw h GLU 144 Cb 0.58 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.90 3fpw h GLU 144 CO -0.47 0.59 0.13 0.37 -0.73 0.00 0.00 179.01 178.90 3fpw h GLN 145 N 0.07 0.27 -0.10 1.92 4.15 -0.29 -0.50 115.11 120.63 3fpw h GLN 145 Ca -0.00 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.26 3fpw h GLN 145 Cb 0.95 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.56 3fpw h GLN 145 CO 0.07 0.18 -0.57 1.88 -1.93 0.00 0.00 178.83 178.47 3fpw h TYR 146 N 0.28 0.40 -0.41 3.99 0.05 -0.72 -1.38 116.97 119.18 3fpw h TYR 146 Ca 0.23 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.86 3fpw h TYR 146 Cb 0.26 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 3fpw h TYR 146 CO -0.19 0.81 0.26 0.00 -1.05 0.00 0.00 178.16 177.99 3fpw h ALA 147 N 1.16 0.52 -0.44 3.88 0.00 -0.90 -1.33 119.26 122.15 3fpw h ALA 147 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3fpw h ALA 147 Cb 1.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3fpw h ALA 147 CO 0.09 0.00 0.13 0.00 0.00 0.00 0.00 179.25 179.48 3fpw h ARG 148 N 0.55 0.65 -0.50 0.00 3.08 -0.84 -1.15 114.38 116.16 3fpw h ARG 148 Ca 0.15 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 3fpw h ARG 148 Cb -0.02 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3fpw h ARG 148 CO -0.03 0.57 0.09 0.00 -1.07 0.00 0.00 179.97 179.53 3fpw h ALA 149 N 1.51 1.23 -0.16 0.04 0.00 -0.75 -0.46 119.26 120.66 3fpw h ALA 149 Ca 0.15 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3fpw h ALA 149 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3fpw h ALA 149 CO -0.01 0.53 -0.02 0.78 0.00 0.00 0.00 179.25 180.53 3fpw h GLY 150 N 0.94 0.33 1.77 0.00 0.00 -0.60 -3.10 103.07 102.42 3fpw h GLY 150 Ca 0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 3fpw h GLY 150 CO 0.00 0.24 0.11 0.00 0.00 0.00 0.00 176.54 176.89 3fpw h ALA 151 N 0.74 1.77 0.00 3.60 0.00 -1.03 -3.00 119.26 121.35 3fpw h ALA 151 Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fpw h ALA 151 Cb 0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3fpw h ALA 151 CO 0.01 0.19 -0.01 0.00 0.00 0.00 0.00 179.25 179.44 3fpw h ALA 152 N 1.81 1.07 -0.00 0.00 0.00 -1.00 -1.20 119.26 119.94 3fpw h ALA 152 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3fpw h ALA 152 Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3fpw h ALA 152 CO -0.01 0.01 -0.10 1.33 0.00 0.00 0.00 179.25 180.48 3fpw n VAL 153 N -3.19 0.00 1.33 0.00 0.24 -1.13 -5.10 118.33 110.47 3fpw n VAL 153 Ca -0.02 -0.06 0.13 0.00 -2.04 0.00 0.00 64.34 62.35 3fpw n VAL 153 Cb 0.13 -0.10 0.38 0.00 -1.47 0.00 0.00 33.84 32.77 3fpw n VAL 153 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87