#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vyz n VAL 1 N 0.00 2.01 -2.41 2.03 0.31 -1.26 -4.87 118.33 114.13 2vyz n VAL 1 Ca 0.00 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.40 2vyz n VAL 1 Cb 0.00 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 2vyz n VAL 1 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2vyz n ASN 2 N 1.29 4.76 0.17 4.52 2.85 -1.26 -4.79 115.26 122.79 2vyz n ASN 2 Ca 0.11 -2.94 0.02 0.00 -0.11 0.00 0.00 54.58 51.66 2vyz n ASN 2 Cb 0.32 -1.65 0.36 0.00 1.24 0.00 0.00 39.78 40.04 2vyz n ASN 2 CO 0.00 0.00 0.00 -0.50 -2.11 0.00 0.00 177.26 174.65 2vyz h TRP 3 N 6.83 0.05 -0.41 1.20 -0.00 -1.99 -1.98 115.95 119.65 2vyz h TRP 3 Ca 0.44 -0.01 0.05 0.00 -0.00 0.00 0.00 58.89 59.37 2vyz h TRP 3 Cb 0.78 -0.01 -0.04 0.00 -0.00 0.00 0.00 29.16 29.88 2vyz h TRP 3 CO 1.34 0.38 0.15 0.00 -0.00 0.00 0.00 178.44 180.32 2vyz h ALA 4 N 1.62 0.49 -0.78 1.49 0.00 -1.96 0.56 119.26 120.67 2vyz h ALA 4 Ca 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2vyz h ALA 4 Cb 0.62 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2vyz h ALA 4 CO 0.05 -0.23 0.29 0.00 0.00 0.00 0.00 179.25 179.35 2vyz h ALA 5 N 1.26 1.02 0.11 0.00 0.00 -1.79 -1.13 119.26 118.72 2vyz h ALA 5 Ca 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2vyz h ALA 5 Cb 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2vyz h ALA 5 CO -0.18 0.67 -0.05 0.28 0.00 0.00 0.00 179.25 179.96 2vyz h VAL 6 N 1.14 0.91 -0.98 0.00 2.07 -0.92 -1.77 116.25 116.70 2vyz h VAL 6 Ca 0.26 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.75 2vyz h VAL 6 Cb 0.25 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 2vyz h VAL 6 CO -0.02 0.02 0.64 0.58 0.02 0.00 0.00 177.57 178.81 2vyz h VAL 7 N -0.18 1.12 -0.54 2.57 2.07 -0.73 0.21 116.25 120.77 2vyz h VAL 7 Ca -0.02 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 2vyz h VAL 7 Cb 0.15 -0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 29.72 2vyz h VAL 7 CO 0.03 0.22 0.31 0.44 0.02 0.00 0.00 177.57 178.58 2vyz h ASP 8 N 1.19 0.67 -0.25 0.57 3.32 -0.93 -1.43 116.42 119.56 2vyz h ASP 8 Ca 0.41 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.27 2vyz h ASP 8 Cb 0.10 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2vyz h ASP 8 CO -0.15 0.56 -0.22 0.44 -1.72 0.00 0.00 179.24 178.15 2vyz h ASP 9 N 0.73 0.73 -0.02 6.45 3.32 -0.63 -2.05 116.42 124.94 2vyz h ASP 9 Ca 0.19 -0.26 0.03 0.00 0.02 0.00 0.00 57.03 57.02 2vyz h ASP 9 Cb 0.03 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.34 2vyz h ASP 9 CO -0.03 0.93 -0.27 0.15 -1.72 0.00 0.00 179.24 178.30 2vyz h PHE 10 N 0.63 -0.72 -0.41 4.55 3.57 -0.21 -0.59 116.94 123.75 2vyz h PHE 10 Ca 0.09 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.54 2vyz h PHE 10 Cb 0.71 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 2vyz h PHE 10 CO 0.03 -0.36 -0.06 1.88 -2.23 0.00 0.00 178.31 177.57 2vyz h TYR 11 N -0.40 0.76 -0.47 0.41 0.05 -1.15 0.13 116.97 116.31 2vyz h TYR 11 Ca 0.07 -0.12 0.01 0.00 0.05 0.00 0.00 58.73 58.75 2vyz h TYR 11 Cb 0.49 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.00 2vyz h TYR 11 CO -0.31 0.75 0.29 1.96 -1.05 0.00 0.00 178.16 179.80 2vyz h GLN 12 N 0.65 0.57 -0.40 4.88 1.08 -1.13 -0.91 115.11 119.85 2vyz h GLN 12 Ca 0.12 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.22 2vyz h GLN 12 Cb 0.50 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 2vyz h GLN 12 CO 0.03 0.38 0.00 0.93 -0.95 0.00 0.00 178.83 179.22 2vyz h GLU 13 N 0.59 0.71 -0.11 1.46 4.39 -0.65 -1.77 114.58 119.19 2vyz h GLU 13 Ca 0.18 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2vyz h GLU 13 Cb -0.02 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 2vyz h GLU 13 CO -0.06 0.79 0.06 1.25 -1.16 0.00 0.00 179.01 179.89 2vyz h LEU 14 N 0.54 0.14 0.00 1.33 5.85 -0.50 -2.17 115.31 120.49 2vyz h LEU 14 Ca 0.11 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 2vyz h LEU 14 Cb 0.47 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2vyz h LEU 14 CO 0.02 0.17 -0.64 -0.26 -0.34 0.00 0.00 178.44 177.38 2vyz h PHE 15 N 0.10 0.00 -0.39 1.25 0.04 -1.23 0.35 116.94 117.06 2vyz h PHE 15 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 2vyz h PHE 15 Cb 0.06 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 2vyz h PHE 15 CO -0.05 0.40 0.25 -0.22 -0.60 0.00 0.00 178.31 178.09 2vyz h LYS 16 N 0.00 0.51 0.05 1.51 3.64 -1.25 -2.61 116.57 118.42 2vyz h LYS 16 Ca -0.03 -0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 59.08 2vyz h LYS 16 Cb 1.33 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 2vyz h LYS 16 CO 0.05 0.34 -1.06 0.00 -2.27 0.00 0.00 179.45 176.51 2vyz h ALA 17 N 1.14 0.30 -2.10 5.00 0.00 -1.28 -3.40 119.26 118.92 2vyz h ALA 17 Ca 0.14 -0.84 -0.57 0.00 0.00 0.00 0.00 54.91 53.64 2vyz h ALA 17 Cb -0.05 -0.06 -0.39 0.00 0.00 0.00 0.00 17.79 17.28 2vyz h ALA 17 CO -0.03 1.02 -1.02 0.72 0.00 0.00 0.00 179.25 179.94 2vyz n HIS 18 N -3.53 0.04 0.27 0.00 8.25 0.10 -4.97 115.22 115.38 2vyz n HIS 18 Ca -0.05 -3.60 0.10 0.00 -0.26 0.00 0.00 57.72 53.92 2vyz n HIS 18 Cb 0.93 -0.28 0.72 0.00 1.12 0.00 0.00 29.99 32.48 2vyz n HIS 18 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2vyz h PRO 19 N 4.29 0.00 0.00 -0.41 0.11 -1.69 -1.03 132.00 133.28 2vyz h PRO 19 Ca 0.12 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 2vyz h PRO 19 Cb 0.86 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 2vyz h PRO 19 CO 0.49 0.04 -0.09 1.05 -0.21 0.00 0.00 178.00 179.28 2vyz h GLU 20 N 0.00 0.00 -0.62 1.05 9.09 -1.93 -2.44 114.58 119.72 2vyz h GLU 20 Ca -0.00 0.00 0.08 0.00 0.05 0.00 0.00 59.36 59.49 2vyz h GLU 20 Cb 0.09 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.15 2vyz h GLU 20 CO 0.01 0.09 0.41 1.88 0.05 0.00 0.00 179.01 181.45 2vyz h TYR 21 N 0.00 0.56 0.00 2.06 -1.99 -1.55 -1.88 116.97 114.17 2vyz h TYR 21 Ca -0.00 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 2vyz h TYR 21 Cb 0.20 -0.18 -0.00 0.00 2.00 0.00 0.00 36.73 38.74 2vyz h TYR 21 CO 0.00 0.28 -0.04 0.37 -0.00 0.00 0.00 178.16 178.77 2vyz h GLN 22 N 0.54 0.00 0.00 4.88 4.15 -1.59 -2.49 115.11 120.60 2vyz h GLN 22 Ca 0.28 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.70 2vyz h GLN 22 Cb 0.39 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.08 2vyz h GLN 22 CO -0.08 0.04 0.00 -0.91 -1.93 0.00 0.00 178.83 175.95 2vyz h ASN 23 N 0.00 0.00 0.76 -0.69 2.35 -1.49 -2.17 115.58 114.34 2vyz h ASN 23 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2vyz h ASN 23 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2vyz h ASN 23 CO 0.01 0.00 -0.02 0.29 -1.65 0.00 0.00 177.43 176.06 2vyz n LYS 24 N -3.06 0.22 -4.06 0.81 5.02 -0.94 -4.82 118.16 111.33 2vyz n LYS 24 Ca -0.01 -0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.05 2vyz n LYS 24 Cb 0.19 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.66 2vyz n LYS 24 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2vyz s PHE 25 N -2.78 3.00 -0.60 2.13 0.40 -0.82 -5.02 117.98 114.29 2vyz s PHE 25 Ca 0.21 -0.18 0.19 0.00 -0.60 0.00 0.00 56.93 56.55 2vyz s PHE 25 Cb 0.20 -1.48 0.83 0.00 0.51 0.00 0.00 43.02 43.08 2vyz s PHE 25 CO 0.50 0.44 1.57 0.41 0.70 0.00 0.00 175.22 178.85 2vyz n GLY 26 N -1.19 -1.06 1.80 4.36 0.00 -1.26 -1.57 105.19 106.26 2vyz n GLY 26 Ca -0.06 0.07 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2vyz n GLY 26 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2vyz n PHE 27 N -1.99 2.09 -1.57 1.61 1.16 -1.26 -4.88 117.46 112.62 2vyz n PHE 27 Ca 0.02 -1.00 -0.49 0.00 -1.87 0.00 0.00 57.45 54.11 2vyz n PHE 27 Cb 0.16 -0.57 -0.04 0.00 -1.61 0.00 0.00 39.48 37.42 2vyz n PHE 27 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 2vyz n LYS 28 N 0.05 1.08 -0.35 3.97 4.81 -0.61 -2.00 118.16 125.11 2vyz n LYS 28 Ca 0.33 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 2vyz n LYS 28 Cb 1.25 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 34.46 2vyz n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2vyz n GLY 29 N 1.90 2.23 3.71 3.14 0.00 -1.26 -5.02 105.19 109.90 2vyz n GLY 29 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2vyz n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vyz s VAL 30 N -3.29 4.07 0.27 1.61 1.01 -0.85 -4.99 120.40 118.23 2vyz s VAL 30 Ca 0.00 1.49 -0.30 0.00 0.00 0.00 0.00 61.98 63.17 2vyz s VAL 30 Cb 0.00 -3.96 -0.13 0.00 0.00 0.00 0.00 36.38 32.29 2vyz s VAL 30 CO 0.00 0.12 1.25 0.00 0.00 0.00 0.00 175.10 176.47 2vyz n ALA 31 N 3.88 0.64 -0.36 5.51 0.00 -1.26 -4.87 120.51 124.05 2vyz n ALA 31 Ca 0.09 0.40 0.02 0.00 0.00 0.00 0.00 53.44 53.94 2vyz n ALA 31 Cb 0.47 -2.18 0.16 0.00 0.00 0.00 0.00 19.45 17.90 2vyz n ALA 31 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2vyz h LEU 32 N 3.11 1.03 0.00 0.00 3.38 -1.99 -0.31 115.31 120.53 2vyz h LEU 32 Ca -0.44 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2vyz h LEU 32 Cb 1.30 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2vyz h LEU 32 CO 0.68 0.67 0.00 0.61 0.09 0.00 0.00 178.44 180.48 2vyz n GLY 33 N -1.36 -0.70 0.23 0.83 0.00 -1.26 -2.54 105.19 100.39 2vyz n GLY 33 Ca 0.15 -0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.14 2vyz n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2vyz n SER 34 N -1.30 1.70 -0.35 1.61 3.41 -0.15 -4.75 113.62 113.80 2vyz n SER 34 Ca 0.05 -1.43 0.09 0.00 -0.26 0.00 0.00 58.87 57.32 2vyz n SER 34 Cb 0.10 -0.03 0.26 0.00 -0.26 0.00 0.00 64.21 64.28 2vyz n SER 34 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2vyz h LEU 35 N 0.99 0.84 -2.28 1.04 3.38 -1.28 -0.24 115.31 117.76 2vyz h LEU 35 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2vyz h LEU 35 Cb 0.32 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2vyz h LEU 35 CO 0.00 0.40 0.00 0.11 0.09 0.00 0.00 178.44 179.04 2vyz h LYS 36 N 0.89 0.00 -0.59 1.13 1.57 -1.85 0.50 116.57 118.21 2vyz h LYS 36 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 2vyz h LYS 36 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2vyz h LYS 36 CO -0.31 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 178.98 2vyz n GLY 37 N -0.73 1.79 3.69 3.86 0.00 -0.11 -4.88 105.19 108.80 2vyz n GLY 37 Ca -0.02 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 2vyz n GLY 37 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2vyz s ASN 38 N -1.01 5.99 0.21 1.61 3.84 0.16 -5.01 114.94 120.74 2vyz s ASN 38 Ca 0.40 0.17 -0.07 0.00 0.21 0.00 0.00 52.86 53.57 2vyz s ASN 38 Cb 0.21 -2.04 0.16 0.00 -0.55 0.00 0.00 41.25 39.03 2vyz s ASN 38 CO 0.27 0.17 1.70 0.00 -2.79 0.00 0.00 177.10 176.45 2vyz h ALA 39 N 6.75 0.94 -0.38 1.71 0.00 -1.92 -0.87 119.26 125.49 2vyz h ALA 39 Ca -0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 2vyz h ALA 39 Cb 1.16 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2vyz h ALA 39 CO 0.73 0.64 0.19 0.00 0.00 0.00 0.00 179.25 180.81 2vyz h ALA 40 N 1.10 0.50 -0.24 0.00 0.00 -1.94 -2.48 119.26 116.19 2vyz h ALA 40 Ca 0.18 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2vyz h ALA 40 Cb 0.49 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2vyz h ALA 40 CO 0.02 0.06 0.14 -0.92 0.00 0.00 0.00 179.25 178.55 2vyz h TYR 41 N 0.48 0.31 -0.83 0.00 3.20 -1.78 -1.95 116.97 116.41 2vyz h TYR 41 Ca 0.13 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.12 2vyz h TYR 41 Cb 0.12 -0.10 -0.08 0.00 1.54 0.00 0.00 36.73 38.20 2vyz h TYR 41 CO -0.01 0.24 0.44 0.87 -1.64 0.00 0.00 178.16 178.06 2vyz h LYS 42 N 0.29 0.66 -0.19 1.82 1.57 -1.04 0.23 116.57 119.92 2vyz h LYS 42 Ca 0.09 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2vyz h LYS 42 Cb 0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2vyz h LYS 42 CO -0.02 0.44 0.05 1.15 -0.57 0.00 0.00 179.45 180.50 2vyz h THR 43 N 0.68 1.20 -0.36 -0.16 2.02 -1.15 -2.17 112.91 112.96 2vyz h THR 43 Ca 0.43 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 2vyz h THR 43 Cb 0.52 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 2vyz h THR 43 CO -0.31 0.20 0.10 1.56 0.37 0.00 0.00 175.52 177.43 2vyz h GLN 44 N 0.13 0.57 -0.90 6.66 1.08 -0.53 -2.38 115.11 119.75 2vyz h GLN 44 Ca 0.06 -0.13 -0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2vyz h GLN 44 Cb 0.25 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.56 2vyz h GLN 44 CO -0.00 0.61 0.56 0.00 -0.95 0.00 0.00 178.83 179.04 2vyz h ALA 45 N 0.94 1.14 -0.74 3.87 0.00 -0.61 -1.51 119.26 122.35 2vyz h ALA 45 Ca 0.11 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.01 2vyz h ALA 45 Cb 0.28 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2vyz h ALA 45 CO -0.00 0.58 0.49 0.78 0.00 0.00 0.00 179.25 181.10 2vyz h GLY 46 N 1.23 0.98 1.34 0.00 0.00 -1.12 -0.13 103.07 105.36 2vyz h GLY 46 Ca 0.32 -0.30 -0.22 0.00 0.00 0.00 0.00 47.33 47.13 2vyz h GLY 46 CO -0.06 0.21 -0.84 0.50 0.00 0.00 0.00 176.54 176.35 2vyz h LYS 47 N 0.75 0.63 -0.44 4.80 1.57 -0.85 -1.44 116.57 121.59 2vyz h LYS 47 Ca 0.32 -0.57 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 2vyz h LYS 47 Cb 0.30 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 2vyz h LYS 47 CO -0.11 1.18 0.19 1.15 -0.57 0.00 0.00 179.45 181.30 2vyz h THR 48 N 0.41 1.19 -0.25 -0.16 2.02 -0.80 -0.25 112.91 115.08 2vyz h THR 48 Ca -0.07 -0.57 0.03 0.00 0.77 0.00 0.00 66.41 66.57 2vyz h THR 48 Cb 1.47 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 2vyz h THR 48 CO 0.16 0.21 0.09 0.58 0.37 0.00 0.00 175.52 176.93 2vyz h VAL 49 N 0.57 0.94 -0.58 3.16 2.07 -0.94 -1.80 116.25 119.66 2vyz h VAL 49 Ca 0.15 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.69 2vyz h VAL 49 Cb 0.15 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 2vyz h VAL 49 CO -0.02 0.04 0.19 0.44 0.02 0.00 0.00 177.57 178.24 2vyz h ASP 50 N 0.20 0.16 -0.24 0.57 3.32 -1.02 -0.09 116.42 119.32 2vyz h ASP 50 Ca 0.11 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2vyz h ASP 50 Cb 0.08 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2vyz h ASP 50 CO -0.11 0.10 0.16 0.22 -1.72 0.00 0.00 179.24 177.89 2vyz h TYR 51 N 0.36 0.31 -0.56 4.55 3.20 -0.65 0.12 116.97 124.29 2vyz h TYR 51 Ca 0.29 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.20 2vyz h TYR 51 Cb 0.37 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 2vyz h TYR 51 CO -0.19 0.20 0.32 0.82 -1.64 0.00 0.00 178.16 177.68 2vyz h ILE 52 N 0.32 1.01 -0.42 1.81 2.04 -0.82 0.30 117.51 121.74 2vyz h ILE 52 Ca 0.09 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 2vyz h ILE 52 Cb -0.02 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 2vyz h ILE 52 CO -0.02 0.11 0.07 0.78 0.00 0.00 0.00 178.15 179.09 2vyz h ASN 53 N 0.62 0.60 -0.45 1.72 -0.26 -0.79 -1.56 115.58 115.45 2vyz h ASN 53 Ca 0.24 -0.10 -0.13 0.00 -0.56 0.00 0.00 56.30 55.74 2vyz h ASN 53 Cb 0.09 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 2vyz h ASN 53 CO -0.13 0.62 -0.24 0.00 -1.06 0.00 0.00 177.43 176.62 2vyz h ALA 54 N 1.46 0.69 0.40 -0.83 0.00 0.13 -0.28 119.26 120.84 2vyz h ALA 54 Ca 0.14 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2vyz h ALA 54 Cb 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2vyz h ALA 54 CO 0.00 0.67 -0.20 0.35 0.00 0.00 0.00 179.25 180.07 2vyz h PHE 55 N 0.83 -0.53 -1.01 0.00 3.57 0.03 0.25 116.94 120.09 2vyz h PHE 55 Ca 0.10 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.66 2vyz h PHE 55 Cb 0.81 0.18 -0.07 0.00 2.79 0.00 0.00 35.95 39.66 2vyz h PHE 55 CO 0.05 -0.32 0.65 0.82 -2.23 0.00 0.00 178.31 177.28 2vyz h ILE 56 N -0.55 1.08 0.00 1.41 2.04 -1.29 -2.41 117.51 117.80 2vyz h ILE 56 Ca -0.05 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.40 2vyz h ILE 56 Cb 0.43 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 2vyz h ILE 56 CO 0.08 0.21 0.00 1.23 0.00 0.00 0.00 178.15 179.68 2vyz h GLY 57 N 1.18 0.00 0.00 5.37 0.00 -0.81 -3.47 103.07 105.34 2vyz h GLY 57 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 2vyz h GLY 57 CO -0.18 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.97 2vyz n GLY 58 N 0.25 0.73 0.52 4.60 0.00 -0.57 -4.98 105.19 105.73 2vyz n GLY 58 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 2vyz n GLY 58 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2vyz n SER 59 N 0.00 2.18 -4.76 1.61 3.41 -0.03 -5.01 113.62 111.03 2vyz n SER 59 Ca 0.00 -1.59 -0.41 0.00 -0.26 0.00 0.00 58.87 56.60 2vyz n SER 59 Cb 0.00 -0.05 -0.00 0.00 -0.26 0.00 0.00 64.21 63.90 2vyz n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vyz n ALA 60 N 0.65 2.22 -3.55 7.33 0.00 -0.93 -4.90 120.51 121.33 2vyz n ALA 60 Ca 0.08 0.35 -0.40 0.00 0.00 0.00 0.00 53.44 53.47 2vyz n ALA 60 Cb 0.32 -2.40 -0.05 0.00 0.00 0.00 0.00 19.45 17.32 2vyz n ALA 60 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2vyz s ASP 61 N -0.03 6.13 0.23 0.00 2.15 -1.26 -4.91 116.67 118.98 2vyz s ASP 61 Ca 0.56 -3.27 -0.03 0.00 0.43 0.00 0.00 52.55 50.25 2vyz s ASP 61 Cb -0.50 -2.00 0.23 0.00 -0.30 0.00 0.00 42.92 40.36 2vyz s ASP 61 CO 0.61 -0.33 1.64 0.00 -0.17 0.00 0.00 175.17 176.92 2vyz h ALA 62 N 6.73 0.91 -0.53 3.66 0.00 -1.92 -1.25 119.26 126.86 2vyz h ALA 62 Ca 0.10 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.67 2vyz h ALA 62 Cb 0.91 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2vyz h ALA 62 CO 0.82 0.62 0.29 0.00 0.00 0.00 0.00 179.25 180.98 2vyz h ALA 63 N 1.12 0.69 -0.65 0.00 0.00 -1.91 0.15 119.26 118.65 2vyz h ALA 63 Ca 0.08 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2vyz h ALA 63 Cb 0.75 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2vyz h ALA 63 CO 0.06 -0.04 0.25 0.78 0.00 0.00 0.00 179.25 180.31 2vyz h GLY 64 N 0.56 1.06 0.93 0.00 0.00 -1.83 -0.65 103.07 103.15 2vyz h GLY 64 Ca 0.23 -0.59 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 2vyz h GLY 64 CO -0.14 0.55 -0.28 -2.00 0.00 0.00 0.00 176.54 174.68 2vyz h LEU 65 N 0.93 0.69 -0.06 3.11 5.85 -0.93 -1.63 115.31 123.26 2vyz h LEU 65 Ca 0.22 -0.48 0.03 0.00 0.84 0.00 0.00 57.88 58.49 2vyz h LEU 65 Cb 0.22 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 2vyz h LEU 65 CO -0.02 1.03 -0.16 0.00 -0.34 0.00 0.00 178.44 178.96 2vyz h ALA 66 N 0.68 -0.13 -0.72 1.25 0.00 -0.81 -1.15 119.26 118.37 2vyz h ALA 66 Ca 0.04 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2vyz h ALA 66 Cb 0.84 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2vyz h ALA 66 CO 0.07 -0.63 0.46 1.03 0.00 0.00 0.00 179.25 180.18 2vyz h SER 67 N -0.22 0.77 -0.14 0.00 0.87 -0.95 -0.54 113.55 113.32 2vyz h SER 67 Ca 0.07 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.56 2vyz h SER 67 Cb 0.33 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 2vyz h SER 67 CO -0.20 0.54 -0.11 0.03 -0.53 0.00 0.00 176.83 176.57 2vyz h ARG 68 N 0.91 0.49 -0.18 2.24 3.08 -1.07 -1.00 114.38 118.85 2vyz h ARG 68 Ca 0.28 -0.13 -0.18 0.00 0.07 0.00 0.00 59.98 60.02 2vyz h ARG 68 Cb -0.02 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 2vyz h ARG 68 CO -0.10 0.60 -0.61 0.45 -1.07 0.00 0.00 179.97 179.24 2vyz h HIS 69 N 0.46 0.80 -0.44 3.04 3.86 -0.34 -2.56 115.15 119.98 2vyz h HIS 69 Ca 0.09 -0.31 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 2vyz h HIS 69 Cb 0.46 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 2vyz h HIS 69 CO 0.01 1.07 0.27 0.87 0.86 0.00 0.00 177.93 181.02 2vyz h LYS 70 N 0.47 0.58 0.00 2.45 1.57 -0.81 0.68 116.57 121.50 2vyz h LYS 70 Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2vyz h LYS 70 Cb 1.18 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2vyz h LYS 70 CO 0.12 0.40 0.00 0.41 -0.57 0.00 0.00 179.45 179.81 2vyz n GLY 71 N -1.43 -1.00 0.73 3.86 0.00 -0.41 -1.30 105.19 105.66 2vyz n GLY 71 Ca 0.03 0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.19 2vyz n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vyz n ARG 72 N -1.96 2.91 -3.36 1.61 5.12 0.03 -4.96 116.66 116.04 2vyz n ARG 72 Ca 0.01 -2.23 -0.23 0.00 -1.93 0.00 0.00 57.85 53.47 2vyz n ARG 72 Cb 0.13 -1.40 0.06 0.00 -1.16 0.00 0.00 32.46 30.10 2vyz n ARG 72 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2vyz n ASN 73 N 0.39 -6.31 -4.33 0.55 3.02 -0.42 -5.00 115.26 103.16 2vyz n ASN 73 Ca 0.14 -0.44 -0.34 0.00 -0.03 0.00 0.00 54.58 53.92 2vyz n ASN 73 Cb 0.53 -5.02 -0.14 0.00 -0.61 0.00 0.00 39.78 34.53 2vyz n ASN 73 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2vyz s VAL 74 N -3.27 3.09 0.00 2.41 1.01 -0.03 -5.00 120.40 118.61 2vyz s VAL 74 Ca 0.47 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.83 2vyz s VAL 74 Cb -0.21 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.84 2vyz s VAL 74 CO 0.58 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.79 2vyz n GLY 75 N 4.00 5.40 0.15 4.51 0.00 -1.26 -3.10 105.19 114.89 2vyz n GLY 75 Ca -0.18 -1.28 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 2vyz n GLY 75 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2vyz h SER 76 N 0.00 0.41 -0.43 1.61 0.02 -1.96 -1.84 113.55 111.36 2vyz h SER 76 Ca 0.00 -0.26 0.09 0.00 -0.84 0.00 0.00 61.79 60.77 2vyz h SER 76 Cb 0.00 -0.11 -0.09 0.00 0.14 0.00 0.00 62.40 62.34 2vyz h SER 76 CO 0.00 0.57 -0.28 0.00 -1.14 0.00 0.00 176.83 175.98 2vyz h ALA 77 N 0.86 -0.04 -0.38 3.77 0.00 -1.97 0.16 119.26 121.65 2vyz h ALA 77 Ca 0.08 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2vyz h ALA 77 Cb 0.33 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2vyz h ALA 77 CO 0.01 -0.65 0.18 0.93 0.00 0.00 0.00 179.25 179.72 2vyz h GLU 78 N -0.19 0.54 -0.08 0.00 3.07 -1.92 -1.53 114.58 114.47 2vyz h GLU 78 Ca 0.20 -0.08 -0.09 0.00 -0.50 0.00 0.00 59.36 58.88 2vyz h GLU 78 Cb 0.51 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 2vyz h GLU 78 CO -0.54 0.48 -0.38 0.74 -1.40 0.00 0.00 179.01 177.91 2vyz h PHE 79 N 0.47 0.18 -0.50 4.33 0.04 -0.82 0.21 116.94 120.86 2vyz h PHE 79 Ca 0.13 -0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.81 2vyz h PHE 79 Cb 0.12 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 2vyz h PHE 79 CO -0.01 0.52 0.15 0.45 -0.60 0.00 0.00 178.31 178.82 2vyz h HIS 80 N 0.14 0.80 -0.54 -0.55 3.86 -0.42 -0.53 115.15 117.92 2vyz h HIS 80 Ca 0.01 -0.08 0.02 0.00 -1.16 0.00 0.00 60.37 59.16 2vyz h HIS 80 Cb 0.73 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 2vyz h HIS 80 CO 0.01 0.70 0.33 -0.91 0.86 0.00 0.00 177.93 178.92 2vyz h ASN 81 N 0.67 0.55 -0.72 2.45 -0.26 -0.49 -2.68 115.58 115.09 2vyz h ASN 81 Ca 0.16 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 2vyz h ASN 81 Cb 0.28 -0.12 -0.04 0.00 -1.06 0.00 0.00 38.32 37.38 2vyz h ASN 81 CO -0.00 0.39 0.46 0.00 -1.06 0.00 0.00 177.43 177.21 2vyz h ALA 82 N 1.23 1.43 -0.39 -0.83 0.00 -0.38 -2.59 119.26 117.73 2vyz h ALA 82 Ca 0.21 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2vyz h ALA 82 Cb -0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 2vyz h ALA 82 CO -0.08 0.50 0.11 -0.22 0.00 0.00 0.00 179.25 179.56 2vyz h LYS 83 N 0.99 0.25 -0.33 0.00 3.64 -0.75 0.17 116.57 120.54 2vyz h LYS 83 Ca 0.26 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 2vyz h LYS 83 Cb -0.07 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 2vyz h LYS 83 CO -0.05 0.16 0.14 0.00 -2.27 0.00 0.00 179.45 177.44 2vyz h ALA 84 N 1.27 0.39 -0.50 5.00 0.00 -1.35 -1.46 119.26 122.61 2vyz h ALA 84 Ca 0.18 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2vyz h ALA 84 Cb 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2vyz h ALA 84 CO -0.21 -0.24 0.09 0.00 0.00 0.00 0.00 179.25 178.89 2vyz h LEU 86 N 0.70 0.65 -0.64 0.00 5.85 -0.58 -1.72 115.31 119.56 2vyz h LEU 86 Ca 0.15 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 2vyz h LEU 86 Cb 0.38 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2vyz h LEU 86 CO 0.01 0.83 0.23 0.00 -0.34 0.00 0.00 178.44 179.17 2vyz h ALA 87 N 1.23 0.83 -0.40 1.25 0.00 -1.17 -0.29 119.26 120.72 2vyz h ALA 87 Ca 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2vyz h ALA 87 Cb 0.63 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2vyz h ALA 87 CO 0.04 0.47 0.22 0.87 0.00 0.00 0.00 179.25 180.85 2vyz h LYS 88 N 0.91 0.55 -0.47 0.00 1.57 -1.19 -1.09 116.57 116.85 2vyz h LYS 88 Ca 0.21 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2vyz h LYS 88 Cb 0.24 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 2vyz h LYS 88 CO -0.01 0.45 0.27 0.00 -0.57 0.00 0.00 179.45 179.58 2vyz h ALA 89 N 1.07 0.60 -0.03 3.86 0.00 -1.09 0.17 119.26 123.84 2vyz h ALA 89 Ca 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2vyz h ALA 89 Cb 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2vyz h ALA 89 CO -0.02 0.11 0.02 0.00 0.00 0.00 0.00 179.25 179.35 2vyz h SER 91 N -0.02 1.00 0.14 0.00 0.87 -1.00 -0.00 113.55 114.53 2vyz h SER 91 Ca 0.01 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2vyz h SER 91 Cb 0.06 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.77 2vyz h SER 91 CO -0.00 0.76 -0.02 0.00 -0.53 0.00 0.00 176.83 177.04 2vyz h ALA 92 N 1.42 1.20 -0.28 6.23 0.00 -0.76 -2.43 119.26 124.64 2vyz h ALA 92 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2vyz h ALA 92 Cb -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2vyz h ALA 92 CO -0.06 0.02 0.00 0.72 0.00 0.00 0.00 179.25 179.93 2vyz n HIS 93 N -3.40 0.38 -2.88 0.00 8.25 -0.43 -4.97 115.22 112.17 2vyz n HIS 93 Ca -0.03 -0.51 -0.20 0.00 -0.26 0.00 0.00 57.72 56.72 2vyz n HIS 93 Cb 0.12 -0.04 0.01 0.00 1.12 0.00 0.00 29.99 31.20 2vyz n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2vyz n GLY 94 N 0.28 -0.50 3.91 -1.41 0.00 -0.76 -4.98 105.19 101.73 2vyz n GLY 94 Ca 0.10 0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 2vyz n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vyz s ALA 95 N -2.93 3.73 0.45 4.61 0.00 -0.15 -5.02 121.76 122.44 2vyz s ALA 95 Ca 0.21 -0.68 -0.25 0.00 0.00 0.00 0.00 51.96 51.23 2vyz s ALA 95 Cb -0.10 -2.15 -0.08 0.00 0.00 0.00 0.00 23.12 20.78 2vyz s ALA 95 CO 0.26 0.36 1.42 -2.14 0.00 0.00 0.00 175.76 175.66 2vyz s PRO 96 N -3.39 3.72 0.49 0.00 0.02 -1.26 -4.44 135.00 130.15 2vyz s PRO 96 Ca 0.41 2.41 -0.23 0.00 0.02 0.00 0.00 61.00 63.61 2vyz s PRO 96 Cb -0.11 -2.67 -0.07 0.00 0.02 0.00 0.00 34.50 31.67 2vyz s PRO 96 CO 0.29 -0.79 1.34 0.34 -0.33 0.00 0.00 177.00 177.86 2vyz s ASP 97 N -0.51 5.69 -0.19 2.53 -1.08 -1.26 -4.90 116.67 116.95 2vyz s ASP 97 Ca 0.60 2.73 0.15 0.00 -0.52 0.00 0.00 52.55 55.52 2vyz s ASP 97 Cb -0.43 -2.64 0.46 0.00 -1.46 0.00 0.00 42.92 38.85 2vyz s ASP 97 CO 0.56 -1.28 1.35 0.18 0.52 0.00 0.00 175.17 176.50 2vyz n LEU 98 N -0.58 3.50 -0.21 -1.34 4.77 -1.26 -4.76 117.00 117.12 2vyz n LEU 98 Ca 0.08 -3.23 0.06 0.00 -0.03 0.00 0.00 56.01 52.88 2vyz n LEU 98 Cb 0.44 -0.53 0.33 0.00 -2.33 0.00 0.00 43.42 41.33 2vyz n LEU 98 CO 0.54 0.83 1.22 1.23 -1.33 0.00 0.00 177.39 179.89 2vyz h GLY 99 N 1.15 1.03 1.41 -0.72 0.00 -1.93 -1.25 103.07 102.76 2vyz h GLY 99 Ca 0.05 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 2vyz h GLY 99 CO 0.19 0.25 0.13 0.45 0.00 0.00 0.00 176.54 177.55 2vyz h HIS 100 N 0.82 0.76 -0.52 5.60 3.86 -1.99 0.85 115.15 124.52 2vyz h HIS 100 Ca 0.32 -0.06 -0.07 0.00 -1.16 0.00 0.00 60.37 59.40 2vyz h HIS 100 Cb 0.23 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 2vyz h HIS 100 CO -0.00 0.64 0.04 0.00 0.86 0.00 0.00 177.93 179.47 2vyz h ALA 101 N 1.42 0.70 -0.44 2.45 0.00 -1.60 -1.28 119.26 120.50 2vyz h ALA 101 Ca 0.16 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 2vyz h ALA 101 Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2vyz h ALA 101 CO -0.00 0.47 -0.25 0.82 0.00 0.00 0.00 179.25 180.29 2vyz h ILE 102 N 0.76 1.27 -0.95 0.00 1.08 -1.24 -2.25 117.51 116.19 2vyz h ILE 102 Ca 0.15 -1.40 0.02 0.00 -0.39 0.00 0.00 64.86 63.24 2vyz h ILE 102 Cb 0.46 1.19 -0.05 0.00 -3.07 0.00 0.00 36.82 35.36 2vyz h ILE 102 CO 0.02 0.48 0.63 0.44 -0.69 0.00 0.00 178.15 179.02 2vyz h ASP 103 N 0.79 1.07 -0.44 1.72 3.32 -0.63 0.94 116.42 123.18 2vyz h ASP 103 Ca 0.10 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2vyz h ASP 103 Cb 0.81 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2vyz h ASP 103 CO 0.07 0.76 0.23 0.44 -1.72 0.00 0.00 179.24 179.02 2vyz h ASP 104 N 1.25 0.56 -0.41 6.45 3.32 -0.81 0.16 116.42 126.95 2vyz h ASP 104 Ca 0.36 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 2vyz h ASP 104 Cb -0.10 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 2vyz h ASP 104 CO -0.09 0.51 0.18 0.40 -1.72 0.00 0.00 179.24 178.52 2vyz h ILE 105 N 0.58 1.19 -0.33 0.35 2.04 -1.01 -2.88 117.51 117.44 2vyz h ILE 105 Ca 0.15 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.47 2vyz h ILE 105 Cb 0.08 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 2vyz h ILE 105 CO -0.02 0.20 0.22 -0.07 0.00 0.00 0.00 178.15 178.48 2vyz h LEU 106 N 0.51 0.37 -2.55 1.44 3.38 -0.42 -1.36 115.31 116.68 2vyz h LEU 106 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2vyz h LEU 106 Cb 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2vyz h LEU 106 CO -0.01 0.26 0.00 0.77 0.09 0.00 0.00 178.44 179.55 2vyz h SER 107 N 0.43 0.00 -0.13 -0.43 4.64 -0.74 -1.08 113.55 116.25 2vyz h SER 107 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2vyz h SER 107 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2vyz h SER 107 CO -0.03 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.34 2vyz n HIS 108 N -2.91 0.16 0.73 4.77 8.25 -0.52 -5.12 115.22 120.57 2vyz n HIS 108 Ca -0.02 -0.12 0.09 0.00 -0.26 0.00 0.00 57.72 57.40 2vyz n HIS 108 Cb 0.08 -0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.26 2vyz n HIS 108 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26