#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yvt s HIS 2 N 0.00 3.26 -0.08 3.52 2.46 -1.26 -4.61 115.29 118.58 1yvt s HIS 2 Ca 0.00 -1.39 -0.05 0.00 0.47 0.00 0.00 55.06 54.09 1yvt s HIS 2 Cb 0.00 -2.30 -0.04 0.00 -0.13 0.00 0.00 32.58 30.11 1yvt s HIS 2 CO 0.00 -0.73 0.13 -0.51 -2.47 0.00 0.00 174.74 171.16 1yvt s LEU 3 N 1.41 4.24 0.90 8.88 1.43 -1.26 -5.10 118.68 129.18 1yvt s LEU 3 Ca -0.01 0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 53.34 1yvt s LEU 3 Cb -0.20 -2.16 0.13 0.00 0.03 0.00 0.00 46.19 43.99 1yvt s LEU 3 CO 0.03 0.37 1.11 0.42 0.23 0.00 0.00 176.35 178.50 1yvt s THR 4 N -1.08 2.46 0.27 5.49 -4.23 -1.26 -4.72 115.64 112.57 1yvt s THR 4 Ca 0.18 0.15 -0.02 0.00 -1.18 0.00 0.00 61.69 60.82 1yvt s THR 4 Cb -0.12 -2.78 0.27 0.00 1.34 0.00 0.00 72.50 71.21 1yvt s THR 4 CO 0.07 -0.20 1.87 -0.65 -0.54 0.00 0.00 174.62 175.18 1yvt h PRO 5 N -1.49 1.10 -0.68 3.99 0.11 -1.99 0.86 132.00 133.90 1yvt h PRO 5 Ca -0.50 -0.07 0.06 0.00 0.11 0.00 0.00 66.00 65.60 1yvt h PRO 5 Cb 1.30 -0.25 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 1yvt h PRO 5 CO 0.58 0.73 0.39 1.49 -0.21 0.00 0.00 178.00 180.98 1yvt h GLU 6 N 1.13 0.70 0.02 1.05 4.81 -2.00 -0.37 114.58 119.92 1yvt h GLU 6 Ca 0.44 -0.04 -0.24 0.00 -0.13 0.00 0.00 59.36 59.39 1yvt h GLU 6 Cb 0.22 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.45 1yvt h GLU 6 CO -0.19 0.46 -1.00 0.93 -0.73 0.00 0.00 179.01 178.49 1yvt h GLU 7 N 0.72 0.45 -0.92 1.92 5.08 -1.63 -1.70 114.58 118.51 1yvt h GLU 7 Ca 0.30 -0.51 0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1yvt h GLU 7 Cb 0.17 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1yvt h GLU 7 CO -0.17 1.16 0.60 0.87 -1.00 0.00 0.00 179.01 180.47 1yvt h LYS 8 N 0.24 1.21 0.21 2.33 1.57 -0.43 -0.25 116.57 121.45 1yvt h LYS 8 Ca -0.10 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1yvt h LYS 8 Cb 1.65 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.69 1yvt h LYS 8 CO 0.18 0.81 -0.10 1.03 -0.57 0.00 0.00 179.45 180.80 1yvt h SER 9 N 1.25 -0.23 -0.38 0.86 0.87 -0.97 0.17 113.55 115.12 1yvt h SER 9 Ca 0.34 -0.06 0.08 0.00 -1.23 0.00 0.00 61.79 60.92 1yvt h SER 9 Cb -0.13 0.06 -0.08 0.00 -0.44 0.00 0.00 62.40 61.82 1yvt h SER 9 CO -0.07 -0.09 -0.12 0.00 -0.53 0.00 0.00 176.83 176.02 1yvt h ALA 10 N 0.42 0.21 0.17 6.23 0.00 -0.74 -1.54 119.26 124.01 1yvt h ALA 10 Ca -0.03 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1yvt h ALA 10 Cb 0.28 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1yvt h ALA 10 CO 0.05 -0.48 -0.08 0.28 0.00 0.00 0.00 179.25 179.02 1yvt h VAL 11 N -0.03 0.92 -0.76 0.00 2.07 -0.90 -2.67 116.25 114.88 1yvt h VAL 11 Ca 0.19 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1yvt h VAL 11 Cb 0.32 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1yvt h VAL 11 CO -0.41 0.09 0.39 0.71 0.02 0.00 0.00 177.57 178.37 1yvt h THR 12 N -0.41 1.24 -0.52 2.57 1.35 -0.79 -0.82 112.91 115.52 1yvt h THR 12 Ca -0.02 -0.64 -0.08 0.00 -0.55 0.00 0.00 66.41 65.12 1yvt h THR 12 Cb 0.32 0.26 -0.02 0.00 -1.73 0.00 0.00 68.15 66.98 1yvt h THR 12 CO 0.04 0.28 0.03 0.00 -0.25 0.00 0.00 175.52 175.61 1yvt h ALA 13 N 1.20 0.70 -0.27 6.62 0.00 -1.32 -1.90 119.26 124.30 1yvt h ALA 13 Ca 0.26 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1yvt h ALA 13 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1yvt h ALA 13 CO -0.04 0.49 -0.05 1.25 0.00 0.00 0.00 179.25 180.90 1yvt h LEU 14 N 0.78 0.51 -1.60 0.00 5.85 -1.24 -3.14 115.31 116.46 1yvt h LEU 14 Ca 0.15 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.54 1yvt h LEU 14 Cb 0.48 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1yvt h LEU 14 CO 0.02 0.75 0.31 -0.25 -0.34 0.00 0.00 178.44 178.93 1yvt h TRP 15 N 0.26 0.50 0.00 1.25 2.91 -0.97 -0.69 115.95 119.21 1yvt h TRP 15 Ca 0.07 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.10 1yvt h TRP 15 Cb 0.52 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 29.00 1yvt h TRP 15 CO 0.05 0.30 0.00 0.41 -1.03 0.00 0.00 178.44 178.16 1yvt n GLY 16 N -1.49 -0.99 0.42 2.65 0.00 -0.73 -1.85 105.19 103.21 1yvt n GLY 16 Ca 0.05 0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.20 1yvt n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yvt n LYS 17 N -1.82 1.27 -2.25 1.61 5.02 -0.27 -4.99 118.16 116.73 1yvt n LYS 17 Ca 0.02 -0.87 -0.41 0.00 -2.02 0.00 0.00 58.31 55.03 1yvt n LYS 17 Cb 0.14 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 1yvt n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yvt s VAL 18 N -2.37 3.31 -0.71 -0.18 1.01 -0.77 -4.96 120.40 115.72 1yvt s VAL 18 Ca 0.16 1.07 -0.27 0.00 0.00 0.00 0.00 61.98 62.94 1yvt s VAL 18 Cb 0.17 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.89 1yvt s VAL 18 CO 0.55 0.15 1.36 0.21 0.00 0.00 0.00 175.10 177.38 1yvt s ASN 19 N 0.38 6.04 0.00 3.32 3.84 -1.26 -4.86 114.94 122.40 1yvt s ASN 19 Ca 0.57 -0.31 0.17 0.00 0.21 0.00 0.00 52.86 53.50 1yvt s ASN 19 Cb -0.36 -2.56 0.85 0.00 -0.55 0.00 0.00 41.25 38.64 1yvt s ASN 19 CO 0.37 -1.90 1.52 1.33 -2.79 0.00 0.00 177.10 175.63 1yvt n VAL 20 N 6.51 0.55 0.65 -5.21 0.24 -1.26 -1.34 118.33 118.47 1yvt n VAL 20 Ca 0.06 0.14 0.12 0.00 -2.04 0.00 0.00 64.34 62.61 1yvt n VAL 20 Cb 0.49 -0.85 0.11 0.00 -1.47 0.00 0.00 33.84 32.13 1yvt n VAL 20 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1yvt n ASP 21 N -1.32 0.63 -0.00 -1.34 8.00 -1.26 -4.61 116.55 116.64 1yvt n ASP 21 Ca 0.08 -0.11 -0.01 0.00 0.71 0.00 0.00 54.79 55.46 1yvt n ASP 21 Cb 0.15 0.47 -0.00 0.00 -0.02 0.00 0.00 41.12 41.72 1yvt n ASP 21 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1yvt n GLU 22 N -1.93 0.70 -0.03 -1.24 -0.58 -0.76 -4.78 120.64 112.02 1yvt n GLU 22 Ca 0.03 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.79 1yvt n GLU 22 Cb 0.42 -1.02 0.35 0.00 -0.57 0.00 0.00 31.44 30.62 1yvt n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1yvt h VAL 23 N 0.00 1.16 -0.58 2.62 2.07 -1.47 -2.02 116.25 118.03 1yvt h VAL 23 Ca -0.02 -0.47 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 1yvt h VAL 23 Cb 1.03 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1yvt h VAL 23 CO -0.00 0.18 0.09 1.23 0.02 0.00 0.00 177.57 179.10 1yvt h GLY 24 N 0.73 1.04 1.66 2.17 0.00 -1.82 -1.58 103.07 105.27 1yvt h GLY 24 Ca 0.15 -0.69 -0.10 0.00 0.00 0.00 0.00 47.33 46.68 1yvt h GLY 24 CO -0.02 0.64 -0.32 -1.33 0.00 0.00 0.00 176.54 175.51 1yvt h GLY 25 N 0.86 0.42 1.35 4.60 0.00 -1.62 -0.55 103.07 108.14 1yvt h GLY 25 Ca 0.18 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 1yvt h GLY 25 CO 0.01 0.34 -0.30 0.50 0.00 0.00 0.00 176.54 177.09 1yvt h LYS 26 N 0.34 0.73 -0.11 4.80 1.57 -0.97 -0.16 116.57 122.77 1yvt h LYS 26 Ca 0.04 -0.33 -0.10 0.00 -1.87 0.00 0.00 60.65 58.39 1yvt h LYS 26 Cb 0.74 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1yvt h LYS 26 CO 0.06 0.94 -0.34 0.00 -0.57 0.00 0.00 179.45 179.53 1yvt h ALA 27 N 1.04 0.19 -0.52 3.86 0.00 -1.03 -1.91 119.26 120.89 1yvt h ALA 27 Ca 0.07 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1yvt h ALA 27 Cb 0.82 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1yvt h ALA 27 CO 0.07 0.25 0.14 1.25 0.00 0.00 0.00 179.25 180.95 1yvt h LEU 28 N -0.01 0.78 -0.43 0.00 5.85 -1.08 0.17 115.31 120.58 1yvt h LEU 28 Ca -0.01 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1yvt h LEU 28 Cb 0.96 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1yvt h LEU 28 CO 0.07 0.80 0.20 1.23 -0.34 0.00 0.00 178.44 180.41 1yvt h GLY 29 N 0.72 0.66 1.28 3.75 0.00 -1.05 -1.02 103.07 107.40 1yvt h GLY 29 Ca 0.16 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 1yvt h GLY 29 CO -0.00 0.31 0.13 3.21 0.00 0.00 0.00 176.54 180.19 1yvt h ARG 30 N 0.55 0.89 -0.53 4.80 3.08 -1.16 -0.28 114.38 121.73 1yvt h ARG 30 Ca 0.15 -0.19 0.04 0.00 0.07 0.00 0.00 59.98 60.04 1yvt h ARG 30 Cb 0.12 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1yvt h ARG 30 CO -0.02 0.81 0.30 1.25 -1.07 0.00 0.00 179.97 181.24 1yvt h LEU 31 N 0.86 0.46 -1.19 3.04 5.85 -0.37 0.27 115.31 124.22 1yvt h LEU 31 Ca 0.18 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 1yvt h LEU 31 Cb 0.32 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1yvt h LEU 31 CO 0.00 0.32 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.98 1yvt h LEU 32 N 0.58 0.07 0.04 2.25 3.38 -0.60 -1.73 115.31 119.30 1yvt h LEU 32 Ca 0.23 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 1yvt h LEU 32 Cb 0.08 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1yvt h LEU 32 CO -0.13 0.43 -0.30 0.58 0.09 0.00 0.00 178.44 179.12 1yvt h VAL 33 N 0.06 1.68 -0.05 1.22 2.07 -0.59 -3.29 116.25 117.34 1yvt h VAL 33 Ca 0.01 -2.40 -0.21 0.00 0.82 0.00 0.00 66.70 64.92 1yvt h VAL 33 Cb 0.68 3.30 0.00 0.00 -1.52 0.00 0.00 31.29 33.75 1yvt h VAL 33 CO 0.05 0.64 -0.83 0.58 0.02 0.00 0.00 177.57 178.03 1yvt h VAL 34 N -0.80 1.38 -2.33 2.57 2.07 -0.50 -3.36 116.25 115.28 1yvt h VAL 34 Ca -0.06 -2.25 -0.60 0.00 0.82 0.00 0.00 66.70 64.62 1yvt h VAL 34 Cb 1.21 2.23 -0.41 0.00 -1.52 0.00 0.00 31.29 32.79 1yvt h VAL 34 CO 0.04 0.68 -0.69 -1.22 0.02 0.00 0.00 177.57 176.40 1yvt n TYR 35 N -3.81 2.70 0.17 1.57 4.01 -0.65 -4.99 117.16 116.15 1yvt n TYR 35 Ca -0.06 -4.05 0.08 0.00 -0.16 0.00 0.00 57.90 53.72 1yvt n TYR 35 Cb 0.77 -0.50 0.43 0.00 -0.31 0.00 0.00 39.34 39.73 1yvt n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1yvt n PRO 36 N 1.23 0.11 0.29 -0.72 -0.04 -1.24 -1.42 135.00 133.20 1yvt n PRO 36 Ca 0.27 0.59 0.18 0.00 -0.04 0.00 0.00 63.50 64.50 1yvt n PRO 36 Cb 0.42 -2.07 0.78 0.00 -0.04 0.00 0.00 33.50 32.60 1yvt n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 1yvt h TRP 37 N 0.00 0.00 0.00 0.54 0.09 -1.91 -1.86 115.95 112.81 1yvt h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1yvt h TRP 37 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.68 1yvt h TRP 37 CO 0.00 0.02 0.00 1.79 0.09 0.00 0.00 178.44 180.34 1yvt h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.56 -2.06 112.91 110.76 1yvt h THR 38 Ca -0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1yvt h THR 38 Cb 0.42 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1yvt h THR 38 CO 0.00 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 176.83 1yvt h GLN 39 N 0.00 0.00 -0.93 4.72 4.20 -1.55 -2.68 115.11 118.87 1yvt h GLN 39 Ca 0.00 0.00 0.20 0.00 0.06 0.00 0.00 58.65 58.91 1yvt h GLN 39 Cb 0.33 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.03 1yvt h GLN 39 CO 0.00 0.00 0.60 -0.09 -0.67 0.00 0.00 178.83 178.67 1yvt h ARG 40 N 0.00 0.46 -0.03 1.46 2.43 -1.57 -0.27 114.38 116.87 1yvt h ARG 40 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1yvt h ARG 40 Cb 0.25 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1yvt h ARG 40 CO 0.00 0.30 0.00 1.19 -1.51 0.00 0.00 179.97 179.95 1yvt n PHE 41 N -4.55 0.02 -2.32 2.20 3.72 -1.01 -4.18 117.46 111.34 1yvt n PHE 41 Ca 0.20 -0.01 -0.10 0.00 -0.05 0.00 0.00 57.45 57.49 1yvt n PHE 41 Cb 0.68 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.27 1yvt n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1yvt n PHE 42 N -0.23 1.67 0.11 1.38 3.72 -0.11 -4.84 117.46 119.16 1yvt n PHE 42 Ca 0.20 -1.96 0.03 0.00 -0.05 0.00 0.00 57.45 55.67 1yvt n PHE 42 Cb 0.26 -0.27 0.41 0.00 -0.94 0.00 0.00 39.48 38.94 1yvt n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1yvt h GLU 43 N 2.11 0.26 0.00 -1.08 5.08 -1.72 -2.07 114.58 117.15 1yvt h GLU 43 Ca 0.09 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1yvt h GLU 43 Cb 1.42 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1yvt h GLU 43 CO 0.41 0.35 0.00 -1.13 -1.00 0.00 0.00 179.01 177.64 1yvt n SER 44 N -4.32 0.00 0.00 1.42 3.41 -1.26 -3.20 113.62 109.67 1yvt n SER 44 Ca -0.00 0.12 0.12 0.00 -0.26 0.00 0.00 58.87 58.85 1yvt n SER 44 Cb 0.23 -0.34 0.58 0.00 -0.26 0.00 0.00 64.21 64.41 1yvt n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1yvt n PHE 45 N -1.34 0.00 -1.25 7.33 3.01 -0.78 -5.02 117.46 119.40 1yvt n PHE 45 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 1yvt n PHE 45 Cb 0.20 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.24 1yvt n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yvt n GLY 46 N 1.05 0.44 3.62 1.37 0.00 -1.19 -4.84 105.19 105.63 1yvt n GLY 46 Ca 0.08 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 1yvt n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yvt s ASP 47 N -4.00 6.05 -0.06 1.61 2.15 -1.26 -4.81 116.67 116.35 1yvt s ASP 47 Ca 0.00 1.70 0.09 0.00 0.43 0.00 0.00 52.55 54.77 1yvt s ASP 47 Cb 0.00 -2.53 0.14 0.00 -0.30 0.00 0.00 42.92 40.24 1yvt s ASP 47 CO 0.00 -1.52 1.04 0.18 -0.17 0.00 0.00 175.17 174.71 1yvt n LEU 48 N 9.57 1.31 -0.09 -1.34 4.77 -1.26 -4.17 117.00 125.79 1yvt n LEU 48 Ca 0.22 -2.04 0.01 0.00 -0.03 0.00 0.00 56.01 54.18 1yvt n LEU 48 Cb 0.45 -0.21 0.32 0.00 -2.33 0.00 0.00 43.42 41.65 1yvt n LEU 48 CO 0.66 0.48 1.13 0.77 -1.33 0.00 0.00 177.39 179.10 1yvt h SER 49 N 0.00 0.64 -3.41 -1.43 4.64 -1.93 -3.44 113.55 108.62 1yvt h SER 49 Ca 0.00 -0.04 -0.44 0.00 -0.47 0.00 0.00 61.79 60.84 1yvt h SER 49 Cb 1.11 -0.16 -0.14 0.00 -0.31 0.00 0.00 62.40 62.90 1yvt h SER 49 CO 0.00 0.52 -0.66 0.42 -0.87 0.00 0.00 176.83 176.24 1yvt s THR 50 N -5.50 1.30 0.18 2.95 -4.23 -1.26 -5.03 115.64 104.06 1yvt s THR 50 Ca -0.09 -2.07 -0.13 0.00 -1.18 0.00 0.00 61.69 58.22 1yvt s THR 50 Cb 0.17 -2.43 0.09 0.00 1.34 0.00 0.00 72.50 71.66 1yvt s THR 50 CO 0.76 -0.28 1.84 -0.65 -0.54 0.00 0.00 174.62 175.75 1yvt h PRO 51 N 2.35 0.72 -0.99 3.99 0.11 -1.99 -1.92 132.00 134.28 1yvt h PRO 51 Ca -0.39 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.71 1yvt h PRO 51 Cb 1.23 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 32.12 1yvt h PRO 51 CO 0.66 0.48 0.65 -0.44 -0.21 0.00 0.00 178.00 179.14 1yvt h ASP 52 N 0.75 1.08 -0.31 -2.05 3.32 -1.98 0.18 116.42 117.41 1yvt h ASP 52 Ca 0.22 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 1yvt h ASP 52 Cb -0.05 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 1yvt h ASP 52 CO -0.07 0.74 -0.16 0.00 -1.72 0.00 0.00 179.24 178.03 1yvt h ALA 53 N 1.41 0.96 0.13 3.45 0.00 -1.74 -1.26 119.26 122.20 1yvt h ALA 53 Ca 0.40 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1yvt h ALA 53 Cb 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1yvt h ALA 53 CO -0.13 0.61 -0.06 0.28 0.00 0.00 0.00 179.25 179.95 1yvt h VAL 54 N 0.68 1.04 -0.24 0.00 2.07 -0.84 -2.09 116.25 116.86 1yvt h VAL 54 Ca 0.11 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 1yvt h VAL 54 Cb 0.65 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1yvt h VAL 54 CO 0.05 0.19 -0.05 0.24 0.02 0.00 0.00 177.57 178.02 1yvt h MET 55 N -0.56 0.37 -0.16 1.57 2.07 -0.91 -2.46 114.93 114.85 1yvt h MET 55 Ca -0.02 -0.08 0.00 0.00 -2.07 0.00 0.00 59.70 57.54 1yvt h MET 55 Cb 0.44 -0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.12 1yvt h MET 55 CO 0.03 0.44 0.00 0.41 1.07 0.00 0.00 176.91 178.86 1yvt n GLY 56 N -0.93 0.57 3.64 8.32 0.00 -0.48 -4.81 105.19 111.50 1yvt n GLY 56 Ca 0.00 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 1yvt n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yvt s ASN 57 N -1.68 6.61 0.35 1.61 3.84 -0.79 -4.90 114.94 119.98 1yvt s ASN 57 Ca 0.34 1.76 0.11 0.00 0.21 0.00 0.00 52.86 55.29 1yvt s ASN 57 Cb 0.19 -2.53 0.88 0.00 -0.55 0.00 0.00 41.25 39.24 1yvt s ASN 57 CO 0.29 -1.04 1.81 -0.65 -2.79 0.00 0.00 177.10 174.72 1yvt h PRO 58 N 9.72 0.60 -0.08 0.43 0.11 -1.90 -1.29 132.00 139.59 1yvt h PRO 58 Ca -0.33 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.57 1yvt h PRO 58 Cb 1.14 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1yvt h PRO 58 CO 0.98 0.40 -0.69 0.87 -0.21 0.00 0.00 178.00 179.35 1yvt h LYS 59 N 0.62 0.38 -0.20 1.05 1.57 -1.90 -0.95 116.57 117.13 1yvt h LYS 59 Ca 0.53 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1yvt h LYS 59 Cb 1.01 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1yvt h LYS 59 CO -0.28 0.93 0.09 0.28 -0.57 0.00 0.00 179.45 179.89 1yvt h VAL 60 N 0.26 1.15 -0.60 0.50 2.07 -1.57 0.43 116.25 118.49 1yvt h VAL 60 Ca -0.02 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1yvt h VAL 60 Cb 1.25 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 1yvt h VAL 60 CO 0.12 0.15 0.39 0.11 0.02 0.00 0.00 177.57 178.36 1yvt h LYS 61 N 0.18 0.78 -0.38 1.57 1.57 -1.22 0.19 116.57 119.27 1yvt h LYS 61 Ca 0.07 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1yvt h LYS 61 Cb 0.16 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1yvt h LYS 61 CO -0.01 0.51 -0.03 0.00 -0.57 0.00 0.00 179.45 179.36 1yvt h ALA 62 N 1.23 0.51 -0.65 3.86 0.00 -1.04 -2.52 119.26 120.66 1yvt h ALA 62 Ca 0.23 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1yvt h ALA 62 Cb -0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1yvt h ALA 62 CO -0.06 0.31 0.12 1.25 0.00 0.00 0.00 179.25 180.87 1yvt h HIS 63 N 0.50 1.10 -0.18 0.00 -0.00 -0.78 -2.22 115.15 113.57 1yvt h HIS 63 Ca 0.10 -0.14 -0.01 0.00 -0.00 0.00 0.00 60.37 60.32 1yvt h HIS 63 Cb 0.51 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.60 1yvt h HIS 63 CO 0.04 0.92 0.05 0.78 -0.00 0.00 0.00 177.93 179.73 1yvt h GLY 64 N 1.05 0.27 1.21 5.26 0.00 -0.85 -1.40 103.07 108.61 1yvt h GLY 64 Ca 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1yvt h GLY 64 CO 0.01 0.11 0.35 1.70 0.00 0.00 0.00 176.54 178.71 1yvt h LYS 65 N 0.25 1.03 -0.30 4.80 3.64 -0.95 0.20 116.57 125.24 1yvt h LYS 65 Ca 0.06 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 1yvt h LYS 65 Cb 0.09 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1yvt h LYS 65 CO -0.00 0.79 -0.16 0.87 -2.27 0.00 0.00 179.45 178.67 1yvt h LYS 66 N 1.02 0.64 -0.25 1.90 1.57 -1.19 -1.77 116.57 118.49 1yvt h LYS 66 Ca 0.25 -0.29 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1yvt h LYS 66 Cb 0.10 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1yvt h LYS 66 CO -0.03 0.87 0.10 0.28 -0.57 0.00 0.00 179.45 180.10 1yvt h VAL 67 N 0.39 0.95 -0.55 0.50 2.07 -0.99 -1.26 116.25 117.36 1yvt h VAL 67 Ca 0.06 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1yvt h VAL 67 Cb 0.69 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1yvt h VAL 67 CO 0.05 0.04 0.33 0.25 0.02 0.00 0.00 177.57 178.26 1yvt h LEU 68 N 0.22 0.66 -0.70 2.57 5.85 -0.89 -1.38 115.31 121.65 1yvt h LEU 68 Ca 0.11 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.84 1yvt h LEU 68 Cb 0.06 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 1yvt h LEU 68 CO -0.10 0.50 0.42 1.23 -0.34 0.00 0.00 178.44 180.16 1yvt h GLY 69 N 0.80 1.01 1.02 3.75 0.00 -0.42 0.59 103.07 109.82 1yvt h GLY 69 Ca 0.20 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 1yvt h GLY 69 CO -0.04 0.25 0.21 0.00 0.00 0.00 0.00 176.54 176.96 1yvt h ALA 70 N 1.32 0.84 -0.74 3.60 0.00 -0.18 -1.02 119.26 123.09 1yvt h ALA 70 Ca 0.29 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1yvt h ALA 70 Cb 0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1yvt h ALA 70 CO -0.13 0.50 0.28 0.74 0.00 0.00 0.00 179.25 180.64 1yvt h PHE 71 N 0.93 1.13 -0.68 0.00 -1.00 -0.71 -0.46 116.94 116.15 1yvt h PHE 71 Ca 0.21 -0.09 -0.00 0.00 2.81 0.00 0.00 57.97 60.90 1yvt h PHE 71 Cb 0.27 -0.34 -0.03 0.00 3.61 0.00 0.00 35.95 39.47 1yvt h PHE 71 CO 0.02 0.86 0.41 0.77 -1.61 0.00 0.00 178.31 178.76 1yvt h SER 72 N 1.07 0.81 -0.69 2.17 0.02 -0.30 -0.12 113.55 116.52 1yvt h SER 72 Ca 0.24 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1yvt h SER 72 Cb 0.23 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1yvt h SER 72 CO -0.02 0.63 0.28 -0.78 -1.14 0.00 0.00 176.83 175.80 1yvt h ASP 73 N 0.92 0.97 -0.61 3.07 3.58 -0.75 -2.48 116.42 121.11 1yvt h ASP 73 Ca 0.24 -0.14 -0.10 0.00 0.42 0.00 0.00 57.03 57.46 1yvt h ASP 73 Cb -0.03 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.75 1yvt h ASP 73 CO -0.05 0.86 0.01 1.23 -2.88 0.00 0.00 179.24 178.42 1yvt h GLY 74 N 1.09 1.16 2.00 -0.78 0.00 -0.40 -1.91 103.07 104.24 1yvt h GLY 74 Ca 0.24 -0.84 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 1yvt h GLY 74 CO -0.02 0.78 -0.01 1.41 0.00 0.00 0.00 176.54 178.69 1yvt h LEU 75 N 0.98 0.00 0.00 3.11 3.38 -0.60 -0.20 115.31 121.97 1yvt h LEU 75 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1yvt h LEU 75 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1yvt h LEU 75 CO 0.03 0.01 -0.66 0.00 0.09 0.00 0.00 178.44 177.91 1yvt n ALA 76 N -2.16 3.44 -2.71 1.53 0.00 -0.76 -4.39 120.51 115.47 1yvt n ALA 76 Ca -0.03 -0.35 -0.12 0.00 0.00 0.00 0.00 53.44 52.94 1yvt n ALA 76 Cb 0.11 -1.08 0.02 0.00 0.00 0.00 0.00 19.45 18.50 1yvt n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yvt n HIS 77 N -1.73 1.29 0.01 0.00 8.25 -0.13 -4.90 115.22 118.00 1yvt n HIS 77 Ca 0.04 -2.97 0.00 0.00 -0.26 0.00 0.00 57.72 54.54 1yvt n HIS 77 Cb 0.38 -0.36 0.03 0.00 1.12 0.00 0.00 29.99 31.16 1yvt n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1yvt n LEU 78 N -0.06 0.02 -1.01 2.41 4.77 -0.94 -0.92 117.00 121.27 1yvt n LEU 78 Ca 0.14 0.50 0.10 0.00 -0.03 0.00 0.00 56.01 56.73 1yvt n LEU 78 Cb 0.78 -0.51 0.18 0.00 -2.33 0.00 0.00 43.42 41.54 1yvt n LEU 78 CO 0.27 -0.51 0.66 0.47 -1.33 0.00 0.00 177.39 176.94 1yvt n ASP 79 N -1.53 3.22 -2.72 -1.43 9.92 -1.26 -1.34 116.55 121.41 1yvt n ASP 79 Ca -0.00 -1.93 -0.08 0.00 -0.53 0.00 0.00 54.79 52.25 1yvt n ASP 79 Cb 0.01 -0.21 0.10 0.00 -0.64 0.00 0.00 41.12 40.38 1yvt n ASP 79 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1yvt n ASN 80 N 1.29 -1.86 0.06 -2.24 4.05 -0.10 -4.93 115.26 111.54 1yvt n ASN 80 Ca 0.17 -2.95 -0.01 0.00 0.45 0.00 0.00 54.58 52.24 1yvt n ASN 80 Cb 0.55 1.25 0.28 0.00 1.23 0.00 0.00 39.78 43.09 1yvt n ASN 80 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1yvt h LEU 81 N 2.44 0.35 -0.26 1.20 3.38 -1.74 0.11 115.31 120.79 1yvt h LEU 81 Ca -0.19 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.70 1yvt h LEU 81 Cb 1.21 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1yvt h LEU 81 CO 0.04 0.58 0.08 0.50 0.09 0.00 0.00 178.44 179.73 1yvt h LYS 82 N 0.32 0.19 -0.08 1.13 3.64 -1.90 0.49 116.57 120.36 1yvt h LYS 82 Ca 0.05 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1yvt h LYS 82 Cb 0.57 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1yvt h LYS 82 CO 0.04 0.12 -0.05 0.78 -2.27 0.00 0.00 179.45 178.07 1yvt h GLY 83 N 0.19 0.19 0.53 5.01 0.00 -1.86 -1.46 103.07 105.67 1yvt h GLY 83 Ca 0.11 -0.18 0.13 0.00 0.00 0.00 0.00 47.33 47.40 1yvt h GLY 83 CO -0.12 0.16 0.59 -0.84 0.00 0.00 0.00 176.54 176.32 1yvt h THR 84 N -0.21 0.86 -0.13 4.70 2.02 -0.49 -2.87 112.91 116.80 1yvt h THR 84 Ca 0.02 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1yvt h THR 84 Cb 0.51 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1yvt h THR 84 CO 0.01 0.14 0.00 0.49 0.37 0.00 0.00 175.52 176.53 1yvt n PHE 85 N -4.57 0.14 -0.16 3.16 3.01 0.17 -4.67 117.46 114.55 1yvt n PHE 85 Ca 0.17 -0.07 -0.04 0.00 1.01 0.00 0.00 57.45 58.52 1yvt n PHE 85 Cb 0.43 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.92 1yvt n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yvt h ALA 86 N 4.55 0.10 -0.43 4.37 0.00 -1.02 0.37 119.26 127.20 1yvt h ALA 86 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1yvt h ALA 86 Cb 0.87 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1yvt h ALA 86 CO 0.00 -0.58 0.23 1.15 0.00 0.00 0.00 179.25 180.05 1yvt h THR 87 N -0.13 1.16 0.00 0.00 2.02 -1.83 -0.97 112.91 113.17 1yvt h THR 87 Ca 0.23 -0.44 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 1yvt h THR 87 Cb 0.48 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1yvt h THR 87 CO -0.57 0.18 -0.47 -0.07 0.37 0.00 0.00 175.52 174.95 1yvt h LEU 88 N 0.56 0.00 -0.09 2.58 3.38 -1.66 -2.07 115.31 118.01 1yvt h LEU 88 Ca 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1yvt h LEU 88 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1yvt h LEU 88 CO -0.02 0.47 -0.01 -1.28 0.09 0.00 0.00 178.44 177.69 1yvt h SER 89 N 0.00 0.17 -0.74 -0.43 0.87 0.07 -1.06 113.55 112.43 1yvt h SER 89 Ca -0.00 -0.35 0.12 0.00 -1.23 0.00 0.00 61.79 60.33 1yvt h SER 89 Cb 0.85 -0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 62.68 1yvt h SER 89 CO 0.06 0.48 0.33 -0.08 -0.53 0.00 0.00 176.83 177.09 1yvt h GLU 90 N -0.15 0.51 0.24 2.24 4.81 -0.98 0.11 114.58 121.37 1yvt h GLU 90 Ca 0.02 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1yvt h GLU 90 Cb 0.40 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1yvt h GLU 90 CO 0.01 0.34 -0.12 1.25 -0.73 0.00 0.00 179.01 179.76 1yvt h LEU 91 N 0.52 -0.28 -0.78 1.64 6.46 -1.18 -0.95 115.31 120.75 1yvt h LEU 91 Ca 0.39 -0.14 -0.12 0.00 -0.12 0.00 0.00 57.88 57.89 1yvt h LEU 91 Cb 0.52 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.50 1yvt h LEU 91 CO -0.34 -0.01 -0.56 0.45 -0.62 0.00 0.00 178.44 177.36 1yvt h HIS 92 N -0.55 0.00 0.00 1.25 3.86 -0.96 0.23 115.15 118.98 1yvt h HIS 92 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1yvt h HIS 92 Cb 0.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1yvt h HIS 92 CO -0.00 0.56 -0.61 0.00 0.86 0.00 0.00 177.93 178.74 1yvt h ASP 94 N -0.72 0.71 0.00 0.00 3.32 -1.31 -2.74 116.42 115.69 1yvt h ASP 94 Ca 0.00 -0.27 -0.26 0.00 0.02 0.00 0.00 57.03 56.52 1yvt h ASP 94 Cb 0.61 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 1yvt h ASP 94 CO 0.00 0.95 -1.50 0.29 -1.72 0.00 0.00 179.24 177.26 1yvt n LYS 95 N -4.10 0.56 0.07 3.56 5.02 -0.76 -4.62 118.16 117.89 1yvt n LYS 95 Ca -0.00 0.48 0.06 0.00 -2.02 0.00 0.00 58.31 56.83 1yvt n LYS 95 Cb 0.45 -1.67 -0.04 0.00 -0.02 0.00 0.00 35.03 33.75 1yvt n LYS 95 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1yvt n LEU 96 N -4.41 0.83 -3.26 -0.35 4.77 0.05 -4.99 117.00 109.64 1yvt n LEU 96 Ca -0.35 0.34 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 1yvt n LEU 96 Cb 0.68 0.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.86 1yvt n LEU 96 CO 0.14 -0.03 0.18 1.41 -1.33 0.00 0.00 177.39 177.77 1yvt n HIS 97 N -2.76 -2.41 -2.58 -1.77 8.25 -0.89 -4.97 115.22 108.09 1yvt n HIS 97 Ca -0.05 0.90 -0.42 0.00 -0.26 0.00 0.00 57.72 57.89 1yvt n HIS 97 Cb 0.69 -4.69 -0.03 0.00 1.12 0.00 0.00 29.99 27.07 1yvt n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1yvt s VAL 98 N -3.30 4.44 0.23 1.59 1.01 -0.09 -4.98 120.40 119.30 1yvt s VAL 98 Ca 0.36 1.78 -0.30 0.00 0.00 0.00 0.00 61.98 63.82 1yvt s VAL 98 Cb -0.16 -4.14 -0.10 0.00 0.00 0.00 0.00 36.38 31.98 1yvt s VAL 98 CO 0.66 0.15 1.50 -0.62 0.00 0.00 0.00 175.10 176.79 1yvt s ASP 99 N 0.92 6.59 0.51 3.32 -1.08 -1.26 -4.80 116.67 120.87 1yvt s ASP 99 Ca 0.54 2.69 0.32 0.00 -0.52 0.00 0.00 52.55 55.59 1yvt s ASP 99 Cb -0.25 -2.62 1.74 0.00 -1.46 0.00 0.00 42.92 40.33 1yvt s ASP 99 CO 0.29 -0.77 1.97 1.55 0.52 0.00 0.00 175.17 178.73 1yvt h PRO 100 N 5.54 0.00 -0.21 4.34 0.13 -1.95 -1.43 132.00 138.41 1yvt h PRO 100 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1yvt h PRO 100 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1yvt h PRO 100 CO 0.82 0.00 0.12 1.49 -0.23 0.00 0.00 178.00 180.20 1yvt h GLU 101 N 0.00 0.28 0.00 0.86 4.57 -1.99 -0.93 114.58 117.38 1yvt h GLU 101 Ca 0.00 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1yvt h GLU 101 Cb 0.12 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1yvt h GLU 101 CO 0.00 0.20 -0.00 -0.91 -1.18 0.00 0.00 179.01 177.12 1yvt h ASN 102 N 0.29 0.00 -0.29 1.04 2.35 -1.62 -1.55 115.58 115.80 1yvt h ASN 102 Ca 0.08 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.64 1yvt h ASN 102 Cb -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1yvt h ASN 102 CO -0.01 0.00 -0.53 -0.26 -1.65 0.00 0.00 177.43 174.97 1yvt h PHE 103 N 0.00 1.11 -0.40 1.19 0.04 -1.33 -0.02 116.94 117.52 1yvt h PHE 103 Ca -0.00 -0.39 -0.05 0.00 2.80 0.00 0.00 57.97 60.33 1yvt h PHE 103 Cb 0.38 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 1yvt h PHE 103 CO 0.00 1.22 0.04 -0.09 -0.60 0.00 0.00 178.31 178.88 1yvt h ARG 104 N 0.68 0.68 -0.40 1.51 2.43 -1.35 -2.17 114.38 115.75 1yvt h ARG 104 Ca 0.02 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1yvt h ARG 104 Cb 1.14 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 1yvt h ARG 104 CO 0.12 0.75 0.27 -0.07 -1.51 0.00 0.00 179.97 179.52 1yvt h LEU 105 N 0.52 0.46 -0.90 3.80 3.38 -1.09 -0.92 115.31 120.56 1yvt h LEU 105 Ca 0.12 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1yvt h LEU 105 Cb 0.42 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1yvt h LEU 105 CO 0.01 0.33 0.32 0.25 0.09 0.00 0.00 178.44 179.44 1yvt h LEU 106 N 0.54 1.02 -0.51 1.67 5.85 -0.95 0.44 115.31 123.37 1yvt h LEU 106 Ca 0.15 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1yvt h LEU 106 Cb -0.06 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 1yvt h LEU 106 CO -0.04 0.90 0.31 1.23 -0.34 0.00 0.00 178.44 180.50 1yvt h GLY 107 N 1.13 0.74 1.67 3.75 0.00 -0.98 -0.24 103.07 109.14 1yvt h GLY 107 Ca 0.26 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 1yvt h GLY 107 CO -0.02 0.30 -0.28 3.43 0.00 0.00 0.00 176.54 179.96 1yvt h ASN 108 N 0.69 0.38 -0.30 0.19 2.35 -0.63 -1.32 115.58 116.95 1yvt h ASN 108 Ca 0.18 -0.13 -0.12 0.00 -0.55 0.00 0.00 56.30 55.68 1yvt h ASN 108 Cb -0.02 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1yvt h ASN 108 CO -0.04 0.66 -0.25 0.58 -1.65 0.00 0.00 177.43 176.73 1yvt h VAL 109 N 0.34 1.27 -0.77 2.81 2.07 -0.55 -1.06 116.25 120.36 1yvt h VAL 109 Ca 0.05 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.16 1yvt h VAL 109 Cb 0.67 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1yvt h VAL 109 CO 0.05 0.46 0.37 0.25 0.02 0.00 0.00 177.57 178.73 1yvt h LEU 110 N 0.69 1.01 -0.82 2.57 5.85 -0.72 -0.07 115.31 123.83 1yvt h LEU 110 Ca 0.09 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1yvt h LEU 110 Cb 0.78 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1yvt h LEU 110 CO 0.06 0.86 0.53 0.58 -0.34 0.00 0.00 178.44 180.13 1yvt h VAL 111 N 1.09 1.14 -0.81 1.05 2.07 -0.88 -0.04 116.25 119.88 1yvt h VAL 111 Ca 0.27 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1yvt h VAL 111 Cb 0.11 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.86 1yvt h VAL 111 CO -0.03 0.19 0.34 0.00 0.02 0.00 0.00 177.57 178.08 1yvt h VAL 113 N 1.17 1.23 -0.64 0.00 2.07 -0.25 -0.37 116.25 119.45 1yvt h VAL 113 Ca 0.27 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1yvt h VAL 113 Cb 0.19 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1yvt h VAL 113 CO -0.03 0.27 0.41 -0.07 0.02 0.00 0.00 177.57 178.18 1yvt h LEU 114 N 0.59 0.75 -0.77 2.57 3.38 -0.74 0.88 115.31 121.96 1yvt h LEU 114 Ca 0.14 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1yvt h LEU 114 Cb 0.29 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1yvt h LEU 114 CO -0.00 0.56 0.31 0.00 0.09 0.00 0.00 178.44 179.39 1yvt h ALA 115 N 1.22 1.00 -0.59 1.53 0.00 -0.87 0.58 119.26 122.13 1yvt h ALA 115 Ca 0.23 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1yvt h ALA 115 Cb -0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1yvt h ALA 115 CO -0.05 0.63 -0.01 1.25 0.00 0.00 0.00 179.25 181.07 1yvt h HIS 116 N 1.11 1.14 0.03 0.00 -0.00 -0.54 0.15 115.15 117.04 1yvt h HIS 116 Ca 0.26 -0.20 -0.23 0.00 -0.00 0.00 0.00 60.37 60.20 1yvt h HIS 116 Cb 0.22 -0.30 -0.00 0.00 -0.00 0.00 0.00 27.41 27.33 1yvt h HIS 116 CO 0.02 1.01 -0.99 1.25 -0.00 0.00 0.00 177.93 179.22 1yvt h HIS 117 N 0.96 0.46 0.00 5.26 6.17 -0.54 -3.33 115.15 124.13 1yvt h HIS 117 Ca 0.17 -0.27 0.00 0.00 0.71 0.00 0.00 60.37 60.98 1yvt h HIS 117 Cb 0.56 -0.04 0.00 0.00 2.52 0.00 0.00 27.41 30.45 1yvt h HIS 117 CO 0.04 1.12 -0.91 1.19 0.71 0.00 0.00 177.93 180.07 1yvt n PHE 118 N -3.66 0.00 0.00 5.26 3.01 0.17 -5.05 117.46 117.18 1yvt n PHE 118 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.40 1yvt n PHE 118 Cb 0.87 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 40.31 1yvt n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yvt n GLY 119 N 1.43 3.32 0.31 1.37 0.00 0.51 -2.16 105.19 109.97 1yvt n GLY 119 Ca 0.03 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.14 1yvt n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yvt h LYS 120 N 0.00 0.00 0.00 1.61 6.56 -1.97 -0.22 116.57 122.55 1yvt h LYS 120 Ca 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 1yvt h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1yvt h LYS 120 CO 0.00 0.00 -0.06 0.93 -2.06 0.00 0.00 179.45 178.26 1yvt h GLU 121 N 0.00 0.00 -3.70 3.15 4.39 -1.83 -3.24 114.58 113.35 1yvt h GLU 121 Ca 0.07 0.00 -0.75 0.00 0.34 0.00 0.00 59.36 59.02 1yvt h GLU 121 Cb 0.32 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.83 1yvt h GLU 121 CO -0.00 0.06 2.14 0.34 -1.16 0.00 0.00 179.01 180.39 1yvt n PHE 122 N -3.73 3.20 -1.05 4.33 7.35 -0.09 -4.93 117.46 122.53 1yvt n PHE 122 Ca -0.02 -2.86 -0.29 0.00 -0.76 0.00 0.00 57.45 53.52 1yvt n PHE 122 Cb 0.16 -2.06 0.18 0.00 0.35 0.00 0.00 39.48 38.11 1yvt n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yvt s THR 123 N 0.94 2.18 0.24 -2.13 -4.23 -1.22 -4.67 115.64 106.74 1yvt s THR 123 Ca 0.41 0.06 -0.06 0.00 -1.18 0.00 0.00 61.69 60.92 1yvt s THR 123 Cb 0.09 -2.46 0.21 0.00 1.34 0.00 0.00 72.50 71.68 1yvt s THR 123 CO -0.01 -0.08 1.83 -0.65 -0.54 0.00 0.00 174.62 175.18 1yvt h PRO 124 N -1.97 0.86 -0.39 3.99 0.11 -1.93 0.86 132.00 133.52 1yvt h PRO 124 Ca -0.55 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.42 1yvt h PRO 124 Cb 1.32 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1yvt h PRO 124 CO 0.55 0.57 -0.13 -1.35 -0.21 0.00 0.00 178.00 177.43 1yvt h PRO 125 N 0.88 0.71 -0.53 1.05 0.11 -1.99 -0.80 132.00 131.43 1yvt h PRO 125 Ca 0.37 -0.23 -0.09 0.00 0.11 0.00 0.00 66.00 66.16 1yvt h PRO 125 Cb 0.23 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 1yvt h PRO 125 CO -0.19 0.81 -0.02 0.28 -0.21 0.00 0.00 178.00 178.66 1yvt h VAL 126 N 0.64 1.27 -0.57 3.15 2.07 -1.74 -2.19 116.25 118.88 1yvt h VAL 126 Ca 0.11 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1yvt h VAL 126 Cb 0.58 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1yvt h VAL 126 CO 0.04 0.40 0.33 -0.61 0.02 0.00 0.00 177.57 177.75 1yvt h GLN 127 N 0.82 0.78 -0.90 1.57 4.15 -0.49 -1.53 115.11 119.51 1yvt h GLN 127 Ca 0.15 -0.08 0.05 0.00 0.77 0.00 0.00 58.65 59.54 1yvt h GLN 127 Cb 0.56 -0.16 -0.06 0.00 0.21 0.00 0.00 27.48 28.03 1yvt h GLN 127 CO 0.03 0.58 0.57 0.00 -1.93 0.00 0.00 178.83 178.08 1yvt h ALA 128 N 1.16 1.22 -0.22 3.38 0.00 -0.86 0.67 119.26 124.60 1yvt h ALA 128 Ca 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1yvt h ALA 128 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1yvt h ALA 128 CO -0.04 0.37 0.11 0.00 0.00 0.00 0.00 179.25 179.70 1yvt h ALA 129 N 1.40 0.28 0.00 0.00 0.00 -1.04 -2.44 119.26 117.46 1yvt h ALA 129 Ca 0.38 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1yvt h ALA 129 Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1yvt h ALA 129 CO -0.15 -0.17 -0.20 1.88 0.00 0.00 0.00 179.25 180.61 1yvt h TYR 130 N 0.24 0.00 -0.32 0.00 0.05 -0.25 -2.48 116.97 114.21 1yvt h TYR 130 Ca 0.08 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.74 1yvt h TYR 130 Cb 0.10 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1yvt h TYR 130 CO -0.03 0.20 -0.29 1.96 -1.05 0.00 0.00 178.16 178.95 1yvt h GLN 131 N 0.00 0.67 -0.78 4.88 1.08 -0.51 -0.42 115.11 120.04 1yvt h GLN 131 Ca -0.00 -0.29 -0.05 0.00 -1.45 0.00 0.00 58.65 56.86 1yvt h GLN 131 Cb 0.39 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.77 1yvt h GLN 131 CO 0.03 0.88 0.30 0.87 -0.95 0.00 0.00 178.83 179.96 1yvt h LYS 132 N 0.58 1.18 -0.06 1.46 1.57 -1.01 -1.06 116.57 119.22 1yvt h LYS 132 Ca 0.07 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1yvt h LYS 132 Cb 0.78 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 1yvt h LYS 132 CO 0.06 0.96 0.01 0.28 -0.57 0.00 0.00 179.45 180.19 1yvt h VAL 133 N 1.14 1.22 0.00 0.50 2.07 -1.10 -1.23 116.25 118.85 1yvt h VAL 133 Ca 0.26 -0.66 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 1yvt h VAL 133 Cb 0.23 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1yvt h VAL 133 CO -0.02 0.18 -0.41 -0.37 0.02 0.00 0.00 177.57 176.97 1yvt h VAL 134 N -0.15 1.24 -0.41 2.57 -1.51 -0.98 -0.73 116.25 116.28 1yvt h VAL 134 Ca 0.02 -1.44 -0.15 0.00 -1.23 0.00 0.00 66.70 63.90 1yvt h VAL 134 Cb 0.28 1.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.22 1yvt h VAL 134 CO 0.00 0.40 -0.34 0.00 -1.23 0.00 0.00 177.57 176.40 1yvt h ALA 135 N 1.59 0.60 -0.47 5.19 0.00 -1.15 -0.22 119.26 124.80 1yvt h ALA 135 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1yvt h ALA 135 Cb 0.75 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1yvt h ALA 135 CO 0.05 0.68 0.30 0.78 0.00 0.00 0.00 179.25 181.06 1yvt h GLY 136 N 0.79 0.67 0.92 0.00 0.00 -0.68 0.05 103.07 104.82 1yvt h GLY 136 Ca 0.07 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 1yvt h GLY 136 CO 0.09 0.25 0.02 -2.08 0.00 0.00 0.00 176.54 174.82 1yvt h VAL 137 N 0.64 1.25 -0.60 4.60 2.07 -1.07 -1.96 116.25 121.18 1yvt h VAL 137 Ca 0.17 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 1yvt h VAL 137 Cb -0.05 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1yvt h VAL 137 CO -0.04 0.31 0.36 0.00 0.02 0.00 0.00 177.57 178.22 1yvt h ALA 138 N 0.88 0.77 -0.60 1.67 0.00 -0.82 -0.40 119.26 120.75 1yvt h ALA 138 Ca 0.10 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1yvt h ALA 138 Cb 0.43 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1yvt h ALA 138 CO 0.01 0.25 0.17 -0.97 0.00 0.00 0.00 179.25 178.72 1yvt h ASN 139 N 0.81 0.86 -0.38 0.00 -0.73 -0.85 -2.02 115.58 113.27 1yvt h ASN 139 Ca 0.21 -0.15 -0.15 0.00 1.87 0.00 0.00 56.30 58.09 1yvt h ASN 139 Cb -0.01 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.35 1yvt h ASN 139 CO -0.04 0.82 -0.35 0.00 -0.37 0.00 0.00 177.43 177.49 1yvt h ALA 140 N 1.30 0.55 0.00 1.57 0.00 -0.97 -2.46 119.26 119.24 1yvt h ALA 140 Ca 0.20 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1yvt h ALA 140 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1yvt h ALA 140 CO -0.01 0.63 -0.20 -0.07 0.00 0.00 0.00 179.25 179.60 1yvt h LEU 141 N 0.71 0.00 -0.73 0.00 3.38 -0.90 -2.01 115.31 115.76 1yvt h LEU 141 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1yvt h LEU 141 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1yvt h LEU 141 CO 0.09 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.81 1yvt n ALA 142 N -2.41 2.60 -0.31 1.53 0.00 -0.78 -4.36 120.51 116.78 1yvt n ALA 142 Ca -0.02 -0.39 0.13 0.00 0.00 0.00 0.00 53.44 53.16 1yvt n ALA 142 Cb 0.27 -1.25 0.31 0.00 0.00 0.00 0.00 19.45 18.78 1yvt n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1yvt h HIS 143 N 1.77 0.66 0.00 0.00 6.17 -0.92 0.82 115.15 123.65 1yvt h HIS 143 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1yvt h HIS 143 Cb 0.38 -0.15 0.00 0.00 2.52 0.00 0.00 27.41 30.16 1yvt h HIS 143 CO 0.00 -0.04 0.00 1.63 0.71 0.00 0.00 177.93 180.23 1yvt n LYS 144 N -5.04 0.01 0.00 5.26 4.76 -1.26 -0.98 118.16 120.92 1yvt n LYS 144 Ca 0.22 0.39 0.11 0.00 -2.87 0.00 0.00 58.31 56.16 1yvt n LYS 144 Cb 0.65 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 32.28 1yvt n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1yvt n TYR 145 N -1.44 0.04 1.42 2.13 4.01 0.28 -4.92 117.16 118.68 1yvt n TYR 145 Ca 0.01 0.01 0.14 0.00 -0.16 0.00 0.00 57.90 57.90 1yvt n TYR 145 Cb 0.03 -0.17 0.45 0.00 -0.31 0.00 0.00 39.34 39.35 1yvt n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12