#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oee s ASN 4 N 0.00 7.37 0.25 -1.34 3.84 -1.26 -4.96 114.94 118.84 2oee s ASN 4 Ca 0.00 1.66 -0.03 0.00 0.21 0.00 0.00 52.86 54.70 2oee s ASN 4 Cb 0.00 -2.56 0.48 0.00 -0.55 0.00 0.00 41.25 38.62 2oee s ASN 4 CO 0.00 -0.22 1.75 0.15 -2.79 0.00 0.00 177.10 175.98 2oee h PHE 5 N 6.61 0.63 -0.33 0.43 3.57 -2.05 -1.71 116.94 124.08 2oee h PHE 5 Ca -0.41 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.01 2oee h PHE 5 Cb 1.22 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 2oee h PHE 5 CO 0.67 0.12 -0.24 1.88 -2.23 0.00 0.00 178.31 178.51 2oee h TYR 6 N 0.53 0.88 -0.54 0.41 0.05 -1.99 -1.07 116.97 115.23 2oee h TYR 6 Ca 0.43 -0.24 0.11 0.00 0.05 0.00 0.00 58.73 59.08 2oee h TYR 6 Cb 0.63 -0.19 -0.09 0.00 1.01 0.00 0.00 36.73 38.09 2oee h TYR 6 CO -0.13 0.99 0.02 -0.44 -1.05 0.00 0.00 178.16 177.55 2oee h ASP 7 N 0.52 -0.19 -0.48 3.88 3.32 -1.79 -1.14 116.42 120.54 2oee h ASP 7 Ca 0.06 0.13 -0.12 0.00 0.02 0.00 0.00 57.03 57.11 2oee h ASP 7 Cb 0.80 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 2oee h ASP 7 CO 0.06 -0.07 -0.19 0.58 -1.72 0.00 0.00 179.24 177.91 2oee h VAL 8 N 0.14 1.27 -0.98 -1.35 2.07 -1.25 -2.41 116.25 113.74 2oee h VAL 8 Ca 0.28 -1.35 0.10 0.00 0.82 0.00 0.00 66.70 66.55 2oee h VAL 8 Cb 0.43 1.13 -0.08 0.00 -1.52 0.00 0.00 31.29 31.25 2oee h VAL 8 CO -0.44 0.46 0.62 0.00 0.02 0.00 0.00 177.57 178.24 2oee h ALA 9 N 0.87 1.43 -0.06 1.67 0.00 -0.48 0.13 119.26 122.83 2oee h ALA 9 Ca 0.11 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2oee h ALA 9 Cb 0.76 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2oee h ALA 9 CO 0.06 0.29 -0.52 1.88 0.00 0.00 0.00 179.25 180.96 2oee h TYR 10 N 1.04 0.19 -0.31 0.00 0.05 -1.02 0.54 116.97 117.46 2oee h TYR 10 Ca 0.46 -0.06 -0.07 0.00 0.05 0.00 0.00 58.73 59.12 2oee h TYR 10 Cb 0.36 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 2oee h TYR 10 CO -0.01 0.64 -0.09 -0.44 -1.05 0.00 0.00 178.16 177.22 2oee h ASP 11 N 0.12 0.49 -0.22 3.88 3.32 -0.66 -1.98 116.42 121.38 2oee h ASP 11 Ca 0.00 -0.12 -0.20 0.00 0.02 0.00 0.00 57.03 56.73 2oee h ASP 11 Cb 0.96 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.39 2oee h ASP 11 CO 0.08 0.62 -0.65 0.25 -1.72 0.00 0.00 179.24 177.82 2oee h LEU 12 N 0.48 0.95 -0.62 1.55 5.85 -0.09 -0.90 115.31 122.53 2oee h LEU 12 Ca 0.09 -0.58 0.07 0.00 0.84 0.00 0.00 57.88 58.30 2oee h LEU 12 Cb 0.44 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 2oee h LEU 12 CO 0.02 1.37 0.31 -0.08 -0.34 0.00 0.00 178.44 179.72 2oee h GLU 13 N 0.59 0.56 -0.50 1.25 4.81 -0.81 -0.54 114.58 119.94 2oee h GLU 13 Ca -0.02 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2oee h GLU 13 Cb 1.27 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 2oee h GLU 13 CO 0.14 0.37 0.29 -0.91 -0.73 0.00 0.00 179.01 178.17 2oee h ASN 14 N 0.57 0.61 -0.50 1.04 -0.26 -1.17 0.12 115.58 116.00 2oee h ASN 14 Ca 0.29 -0.07 0.04 0.00 -0.56 0.00 0.00 56.30 56.00 2oee h ASN 14 Cb 0.24 -0.16 -0.04 0.00 -1.06 0.00 0.00 38.32 37.30 2oee h ASN 14 CO -0.21 0.51 0.26 0.00 -1.06 0.00 0.00 177.43 176.92 2oee h ALA 15 N 1.13 0.64 -0.18 -0.83 0.00 -0.66 -1.06 119.26 118.30 2oee h ALA 15 Ca 0.18 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2oee h ALA 15 Cb 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2oee h ALA 15 CO -0.03 -0.09 0.08 1.25 0.00 0.00 0.00 179.25 180.46 2oee h LEU 16 N 0.50 0.24 -1.05 0.00 5.85 -0.77 -2.17 115.31 117.91 2oee h LEU 16 Ca 0.22 -0.14 0.15 0.00 0.84 0.00 0.00 57.88 58.95 2oee h LEU 16 Cb 0.12 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.00 2oee h LEU 16 CO -0.15 0.31 0.62 0.03 -0.34 0.00 0.00 178.44 178.91 2oee h ARG 17 N 0.15 0.85 -0.01 1.25 3.08 -0.44 -2.24 114.38 117.01 2oee h ARG 17 Ca 0.06 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2oee h ARG 17 Cb 0.14 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2oee h ARG 17 CO -0.01 0.56 -0.07 0.41 -1.07 0.00 0.00 179.97 179.80 2oee n GLY 18 N -1.36 -0.13 3.79 0.04 0.00 -0.43 -4.78 105.19 102.33 2oee n GLY 18 Ca 0.20 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 2oee n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2oee s SER 19 N -2.13 6.57 0.35 1.61 1.04 -0.83 -4.95 113.70 115.37 2oee s SER 19 Ca 0.34 1.93 0.03 0.00 0.48 0.00 0.00 55.95 58.73 2oee s SER 19 Cb 0.20 -2.57 0.64 0.00 0.10 0.00 0.00 66.02 64.40 2oee s SER 19 CO 0.38 -0.62 1.99 -0.08 0.98 0.00 0.00 173.24 175.89 2oee h GLU 20 N 1.94 0.77 -0.79 4.02 4.22 -1.91 -2.45 114.58 120.39 2oee h GLU 20 Ca -0.49 -0.06 0.07 0.00 0.08 0.00 0.00 59.36 58.95 2oee h GLU 20 Cb 1.21 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.24 2oee h GLU 20 CO 0.60 0.54 0.47 0.93 -2.18 0.00 0.00 179.01 179.38 2oee h GLU 21 N 0.78 0.82 -0.37 1.92 3.07 -1.92 0.63 114.58 119.52 2oee h GLU 21 Ca 0.21 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.92 2oee h GLU 21 Cb -0.02 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.69 2oee h GLU 21 CO -0.04 0.54 -0.15 0.35 -1.40 0.00 0.00 179.01 178.32 2oee h PHE 22 N 0.85 0.87 -0.67 4.33 3.57 -1.70 -1.88 116.94 122.32 2oee h PHE 22 Ca 0.35 -0.21 0.02 0.00 3.53 0.00 0.00 57.97 61.67 2oee h PHE 22 Cb 0.21 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 2oee h PHE 22 CO -0.05 0.94 0.42 1.15 -2.23 0.00 0.00 178.31 178.53 2oee h THR 23 N 0.56 1.10 -0.48 4.41 2.02 -1.06 -0.14 112.91 119.33 2oee h THR 23 Ca 0.09 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 2oee h THR 23 Cb 0.69 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2oee h THR 23 CO 0.05 0.15 0.29 0.03 0.37 0.00 0.00 175.52 176.41 2oee h ARG 24 N 0.83 0.65 -0.23 6.66 3.08 -0.80 0.16 114.38 124.74 2oee h ARG 24 Ca 0.26 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 2oee h ARG 24 Cb -0.00 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 2oee h ARG 24 CO -0.10 0.48 0.11 1.25 -1.07 0.00 0.00 179.97 180.64 2oee h LEU 25 N 0.64 0.30 -0.50 3.04 5.85 -1.05 -1.44 115.31 122.15 2oee h LEU 25 Ca 0.17 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2oee h LEU 25 Cb -0.01 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2oee h LEU 25 CO -0.03 0.35 0.24 0.50 -0.34 0.00 0.00 178.44 179.16 2oee h LYS 26 N 0.23 0.71 -0.60 1.25 3.64 -0.89 0.53 116.57 121.45 2oee h LYS 26 Ca 0.08 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2oee h LYS 26 Cb 0.13 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2oee h LYS 26 CO -0.01 0.59 0.36 -0.91 -2.27 0.00 0.00 179.45 177.21 2oee h ASN 27 N 0.66 0.72 -0.67 4.20 2.35 -0.54 -0.67 115.58 121.63 2oee h ASN 27 Ca 0.17 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 2oee h ASN 27 Cb 0.11 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 2oee h ASN 27 CO -0.02 0.57 0.35 -0.07 -1.65 0.00 0.00 177.43 176.61 2oee h LEU 28 N 0.81 0.85 -0.19 1.61 3.38 -1.04 -0.09 115.31 120.64 2oee h LEU 28 Ca 0.21 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2oee h LEU 28 Cb -0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2oee h LEU 28 CO -0.04 0.72 0.12 0.22 0.09 0.00 0.00 178.44 179.55 2oee h TYR 29 N 0.92 0.24 -0.56 1.13 3.20 -0.62 -0.74 116.97 120.54 2oee h TYR 29 Ca 0.23 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.02 2oee h TYR 29 Cb 0.08 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 2oee h TYR 29 CO -0.00 0.16 0.01 -0.44 -1.64 0.00 0.00 178.16 176.26 2oee h ASP 30 N 0.24 0.92 -0.19 -2.11 3.32 -0.98 -1.13 116.42 116.50 2oee h ASP 30 Ca 0.07 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 2oee h ASP 30 Cb -0.01 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 2oee h ASP 30 CO -0.01 0.97 0.10 -0.08 -1.72 0.00 0.00 179.24 178.50 2oee h GLU 31 N 0.88 0.27 -0.46 3.56 4.81 -0.81 0.21 114.58 123.05 2oee h GLU 31 Ca 0.17 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2oee h GLU 31 Cb 0.50 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2oee h GLU 31 CO 0.02 0.29 0.29 0.28 -0.73 0.00 0.00 179.01 179.16 2oee h VAL 32 N 0.19 1.13 0.00 0.32 2.07 -1.00 -2.66 116.25 116.30 2oee h VAL 32 Ca 0.07 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 2oee h VAL 32 Cb 0.10 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2oee h VAL 32 CO -0.01 0.13 -0.32 0.78 0.02 0.00 0.00 177.57 178.17 2oee h ASN 33 N 0.62 0.00 1.23 0.57 -0.26 -1.01 -2.35 115.58 114.38 2oee h ASN 33 Ca 0.17 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 2oee h ASN 33 Cb -0.04 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.22 2oee h ASN 33 CO -0.03 0.32 0.00 0.00 -1.06 0.00 0.00 177.43 176.65 2oee h ALA 34 N 1.68 1.00 -2.19 -0.83 0.00 -0.69 -3.42 119.26 114.81 2oee h ALA 34 Ca -0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 2oee h ALA 34 Cb 0.61 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.22 2oee h ALA 34 CO 0.04 0.00 -0.04 0.34 0.00 0.00 0.00 179.25 179.59 2oee s ASP 35 N -4.94 6.22 0.24 0.00 -1.08 -0.90 -4.97 116.67 111.23 2oee s ASP 35 Ca 0.06 -0.84 -0.05 0.00 -0.52 0.00 0.00 52.55 51.20 2oee s ASP 35 Cb 0.09 -2.27 0.43 0.00 -1.46 0.00 0.00 42.92 39.72 2oee s ASP 35 CO 0.53 -0.78 1.71 -0.08 0.52 0.00 0.00 175.17 177.07 2oee h GLU 36 N 8.89 0.33 -0.23 4.34 4.81 -1.82 0.18 114.58 131.10 2oee h GLU 36 Ca -0.27 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.90 2oee h GLU 36 Cb 1.10 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 2oee h GLU 36 CO 0.91 0.22 0.00 0.77 -0.73 0.00 0.00 179.01 180.18 2oee h SER 37 N 0.34 0.39 -0.53 1.04 0.02 -1.93 -2.93 113.55 109.96 2oee h SER 37 Ca 0.40 -0.31 -0.11 0.00 -0.84 0.00 0.00 61.79 60.93 2oee h SER 37 Cb 0.63 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 2oee h SER 37 CO -0.44 0.60 -0.08 0.00 -1.14 0.00 0.00 176.83 175.77 2oee h ALA 38 N 0.80 0.73 -0.29 3.77 0.00 -1.65 -3.13 119.26 119.49 2oee h ALA 38 Ca 0.06 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.68 2oee h ALA 38 Cb 0.40 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2oee h ALA 38 CO 0.01 0.62 0.05 -0.22 0.00 0.00 0.00 179.25 179.71 2oee h LYS 39 N 0.87 0.15 -0.32 0.00 3.64 -0.44 -0.24 116.57 120.22 2oee h LYS 39 Ca 0.14 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2oee h LYS 39 Cb 0.64 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2oee h LYS 39 CO 0.04 0.10 0.00 -2.13 -2.27 0.00 0.00 179.45 175.19 2oee n ARG 40 N -5.09 0.00 0.00 1.90 0.63 -1.11 -0.65 116.66 112.34 2oee n ARG 40 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2oee n ARG 40 Cb 0.13 -1.07 0.00 0.00 0.45 0.00 0.00 32.46 31.96 2oee n ARG 40 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2oee n PHE 42 N 0.58 0.00 -0.09 -0.14 7.35 -0.10 -1.71 117.46 123.34 2oee n PHE 42 Ca 0.00 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.59 2oee n PHE 42 Cb 0.00 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.80 2oee n PHE 42 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2oee h GLU 43 N 0.00 0.43 -0.94 -4.13 5.08 -1.11 -1.27 114.58 112.64 2oee h GLU 43 Ca 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2oee h GLU 43 Cb 0.00 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 2oee h GLU 43 CO 0.00 0.49 0.60 -0.97 -1.00 0.00 0.00 179.01 178.13 2oee h ASN 44 N 0.29 1.10 0.31 1.42 -1.24 -1.58 -0.18 115.58 115.70 2oee h ASN 44 Ca 0.09 -0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 2oee h ASN 44 Cb 0.24 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 2oee h ASN 44 CO -0.00 0.82 -0.21 0.15 -1.29 0.00 0.00 177.43 176.89 2oee h PHE 45 N 1.28 -0.55 -0.98 0.67 3.57 -1.80 -1.29 116.94 117.84 2oee h PHE 45 Ca 0.34 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.92 2oee h PHE 45 Cb -0.11 0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.76 2oee h PHE 45 CO 0.00 -0.32 0.63 0.00 -2.23 0.00 0.00 178.31 176.39 2oee h ARG 46 N -0.51 1.05 0.20 1.11 3.08 -0.90 -1.65 114.38 116.76 2oee h ARG 46 Ca -0.03 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2oee h ARG 46 Cb 0.44 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2oee h ARG 46 CO 0.01 0.69 -0.09 -0.44 -1.07 0.00 0.00 179.97 179.07 2oee h ASP 47 N 1.08 -0.22 -0.35 7.04 5.19 -0.94 -0.43 116.42 127.78 2oee h ASP 47 Ca 0.44 -0.27 0.07 0.00 -0.62 0.00 0.00 57.03 56.65 2oee h ASP 47 Cb 0.28 0.06 -0.06 0.00 0.18 0.00 0.00 39.33 39.79 2oee h ASP 47 CO -0.19 0.18 -0.02 0.58 -3.12 0.00 0.00 179.24 176.67 2oee h VAL 48 N -0.67 0.71 -0.11 -1.35 2.07 -1.20 -0.63 116.25 115.07 2oee h VAL 48 Ca -0.03 -0.02 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 2oee h VAL 48 Cb 0.48 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2oee h VAL 48 CO 0.04 0.01 -0.39 -0.61 0.02 0.00 0.00 177.57 176.65 2oee h GLN 49 N 0.07 0.24 -0.01 1.57 4.15 -1.34 -2.92 115.11 116.87 2oee h GLN 49 Ca 0.17 -0.11 -0.16 0.00 0.77 0.00 0.00 58.65 59.32 2oee h GLN 49 Cb 0.25 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 2oee h GLN 49 CO -0.31 0.60 -0.74 1.25 -1.93 0.00 0.00 178.83 177.71 2oee h LEU 50 N 0.21 0.08 0.00 -2.39 6.46 -0.39 -3.51 115.31 115.77 2oee h LEU 50 Ca 0.02 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 2oee h LEU 50 Cb 0.79 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 2oee h LEU 50 CO 0.06 0.79 0.00 0.54 -0.62 0.00 0.00 178.44 179.21 2oee n ARG 51 N -3.70 0.00 0.00 1.25 1.74 -0.31 -5.08 116.66 110.57 2oee n ARG 51 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2oee n ARG 51 Cb 0.71 -0.88 0.00 0.00 -1.02 0.00 0.00 32.46 31.27 2oee n ARG 51 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2oee n GLN 69 N -0.46 0.00 0.08 5.56 -0.06 -1.26 -5.00 117.38 116.25 2oee n GLN 69 Ca 0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.88 2oee n GLN 69 Cb 0.00 -1.38 -0.05 0.00 -4.06 0.00 0.00 30.24 24.75 2oee n GLN 69 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2oee h ALA 70 N 0.00 0.38 -0.02 1.69 0.00 -2.00 -2.93 119.26 116.38 2oee h ALA 70 Ca 0.00 -0.74 -0.15 0.00 0.00 0.00 0.00 54.91 54.02 2oee h ALA 70 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2oee h ALA 70 CO 0.00 0.88 -0.67 1.96 0.00 0.00 0.00 179.25 181.43 2oee h GLN 71 N 0.16 0.11 -0.43 0.00 1.08 -2.01 -2.76 115.11 111.26 2oee h GLN 71 Ca -0.07 -0.08 0.08 0.00 -1.45 0.00 0.00 58.65 57.13 2oee h GLN 71 Cb 1.61 0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 28.99 2oee h GLN 71 CO 0.16 0.73 -0.01 0.87 -0.95 0.00 0.00 178.83 179.63 2oee h LYS 72 N 0.07 0.09 -0.18 1.46 1.57 -2.00 -2.37 116.57 115.22 2oee h LYS 72 Ca -0.01 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 2oee h LYS 72 Cb 1.19 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 2oee h LYS 72 CO 0.09 0.06 -0.17 0.00 -0.57 0.00 0.00 179.45 178.86 2oee h THR 73 N 0.10 1.21 -0.16 -0.16 1.03 -1.31 -1.10 112.91 112.52 2oee h THR 73 Ca 0.21 -0.97 -0.01 0.00 -0.01 0.00 0.00 66.41 65.63 2oee h THR 73 Cb 0.31 1.27 -0.01 0.00 -1.07 0.00 0.00 68.15 68.65 2oee h THR 73 CO -0.36 0.30 0.07 0.58 -0.01 0.00 0.00 175.52 176.10 2oee h VAL 74 N 0.29 1.14 -0.70 0.00 2.07 -1.24 -2.26 116.25 115.54 2oee h VAL 74 Ca 0.05 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.22 2oee h VAL 74 Cb 0.48 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 2oee h VAL 74 CO 0.03 0.13 0.41 0.00 0.02 0.00 0.00 177.57 178.16 2oee h ALA 75 N 0.93 0.95 -0.01 1.67 0.00 -1.00 -0.81 119.26 120.98 2oee h ALA 75 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2oee h ALA 75 Cb 0.14 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 2oee h ALA 75 CO -0.01 0.12 -0.41 -0.07 0.00 0.00 0.00 179.25 178.88 2oee h LEU 76 N 0.77 -1.25 -0.79 0.00 4.07 -1.01 -2.98 115.31 114.11 2oee h LEU 76 Ca 0.31 0.15 -0.13 0.00 0.08 0.00 0.00 57.88 58.29 2oee h LEU 76 Cb 0.15 0.49 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 2oee h LEU 76 CO -0.16 -0.45 -0.56 -0.37 -1.08 0.00 0.00 178.44 175.81 2oee h VAL 77 N -0.56 1.39 0.00 1.22 -1.51 -1.08 -2.98 116.25 112.73 2oee h VAL 77 Ca 0.05 -1.91 -0.01 0.00 -1.23 0.00 0.00 66.70 63.59 2oee h VAL 77 Cb 0.64 1.99 -0.00 0.00 -2.13 0.00 0.00 31.29 31.79 2oee h VAL 77 CO -0.32 0.56 -0.06 1.56 -1.23 0.00 0.00 177.57 178.07 2oee h GLN 78 N 0.09 0.00 0.00 5.19 4.20 -1.05 -2.24 115.11 121.30 2oee h GLN 78 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2oee h GLN 78 Cb 1.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.80 2oee h GLN 78 CO 0.08 0.06 0.00 1.04 -0.67 0.00 0.00 178.83 179.34 2oee n GLN 79 N -3.87 0.32 -3.39 1.46 3.00 -1.12 -4.62 117.38 109.16 2oee n GLN 79 Ca -0.03 0.04 -0.41 0.00 -0.01 0.00 0.00 57.00 56.60 2oee n GLN 79 Cb 0.16 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 28.80 2oee n GLN 79 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2oee s HIS 80 N -2.63 3.21 0.13 1.08 2.46 -0.84 -5.00 115.29 113.69 2oee s HIS 80 Ca 0.23 0.05 -0.19 0.00 0.47 0.00 0.00 55.06 55.62 2oee s HIS 80 Cb 0.18 -2.68 -0.02 0.00 -0.13 0.00 0.00 32.58 29.93 2oee s HIS 80 CO 0.41 -0.41 1.72 1.49 -2.47 0.00 0.00 174.74 175.48 2oee h GLU 81 N 8.43 0.05 -0.35 2.88 4.57 -1.86 -0.62 114.58 127.69 2oee h GLU 81 Ca -0.30 -0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 57.74 2oee h GLU 81 Cb 1.14 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.72 2oee h GLU 81 CO 0.69 0.04 -0.33 -0.22 -1.18 0.00 0.00 179.01 178.01 2oee h LYS 82 N 0.06 0.83 -0.93 1.92 1.63 -1.94 -1.14 116.57 117.00 2oee h LYS 82 Ca 0.10 -0.43 0.01 0.00 -0.85 0.00 0.00 60.65 59.48 2oee h LYS 82 Cb 0.13 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.73 2oee h LYS 82 CO -0.18 1.07 0.61 0.82 -3.45 0.00 0.00 179.45 178.32 2oee h ILE 83 N 0.62 1.22 -0.78 2.00 2.04 -1.83 -1.22 117.51 119.56 2oee h ILE 83 Ca 0.06 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 2oee h ILE 83 Cb 0.91 -0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 2oee h ILE 83 CO 0.08 0.23 0.36 0.28 0.00 0.00 0.00 178.15 179.10 2oee h SER 84 N 1.24 1.02 -0.51 1.72 0.02 -0.56 -2.49 113.55 113.99 2oee h SER 84 Ca 0.34 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 2oee h SER 84 Cb -0.12 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.14 2oee h SER 84 CO -0.08 0.87 0.22 1.56 -1.14 0.00 0.00 176.83 178.26 2oee h GLN 85 N 1.12 0.74 -0.46 3.45 4.20 -0.56 0.12 115.11 123.72 2oee h GLN 85 Ca 0.27 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2oee h GLN 85 Cb 0.13 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2oee h GLN 85 CO -0.03 0.64 0.00 -0.11 -0.67 0.00 0.00 178.83 178.66 2oee n LEU 86 N -4.57 0.04 0.00 1.46 7.94 -0.52 -1.19 117.00 120.15 2oee n LEU 86 Ca 0.02 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2oee n LEU 86 Cb 0.14 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.07 2oee n LEU 86 CO 0.38 0.01 0.00 -0.62 -1.11 0.00 0.00 177.39 176.04 2oee n GLU 88 N 0.60 0.00 -0.36 1.96 1.02 0.42 -0.74 120.64 123.54 2oee n GLU 88 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 2oee n GLU 88 Cb 0.01 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 31.53 2oee n GLU 88 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2oee h ALA 89 N 0.00 1.23 -0.39 0.62 0.00 -1.40 -0.14 119.26 119.18 2oee h ALA 89 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2oee h ALA 89 Cb 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 2oee h ALA 89 CO 0.00 0.61 0.20 0.93 0.00 0.00 0.00 179.25 180.99 2oee h GLU 90 N 1.30 0.40 -0.55 0.00 5.08 -1.20 -3.12 114.58 116.49 2oee h GLU 90 Ca 0.36 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.62 2oee h GLU 90 Cb -0.14 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 2oee h GLU 90 CO -0.08 0.26 0.06 0.37 -1.00 0.00 0.00 179.01 178.62 2oee h GLN 91 N 0.41 0.93 -1.68 2.33 5.75 -1.75 -0.22 115.11 120.88 2oee h GLN 91 Ca 0.16 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 2oee h GLN 91 Cb 0.06 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.51 2oee h GLN 91 CO -0.11 0.91 0.00 0.54 -2.65 0.00 0.00 178.83 177.52 2oee n ARG 92 N -4.32 0.07 -0.62 1.69 1.74 -0.09 -4.64 116.66 110.48 2oee n ARG 92 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2oee n ARG 92 Cb 0.29 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 2oee n ARG 92 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2oee n SER 94 N 0.90 -0.12 0.00 0.55 2.88 -0.10 -4.66 113.62 113.07 2oee n SER 94 Ca 0.00 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2oee n SER 94 Cb 0.03 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 2oee n SER 94 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2oee n LEU 96 N -0.39 0.00 -0.23 2.46 7.94 -1.26 -0.81 117.00 124.70 2oee n LEU 96 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 2oee n LEU 96 Cb 0.06 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.06 2oee n LEU 96 CO 0.00 0.00 1.14 0.40 -1.11 0.00 0.00 177.39 177.82 2oee h ILE 97 N 0.00 1.17 -0.68 1.96 1.08 -1.96 -0.80 117.51 118.28 2oee h ILE 97 Ca 0.00 -0.32 0.08 0.00 -0.39 0.00 0.00 64.86 64.23 2oee h ILE 97 Cb 0.00 0.22 -0.07 0.00 -3.07 0.00 0.00 36.82 33.90 2oee h ILE 97 CO 0.00 0.17 0.35 1.23 -0.69 0.00 0.00 178.15 179.20 2oee h GLY 98 N 0.89 1.01 0.97 5.37 0.00 -1.37 -1.29 103.07 108.65 2oee h GLY 98 Ca 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2oee h GLY 98 CO -0.05 0.08 0.22 0.83 0.00 0.00 0.00 176.54 177.62 2oee h GLU 99 N 0.61 0.54 -0.68 4.80 4.39 -1.65 -0.99 114.58 121.60 2oee h GLU 99 Ca 0.33 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.99 2oee h GLU 99 Cb 0.31 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 2oee h GLU 99 CO -0.24 0.42 0.43 -0.07 -1.16 0.00 0.00 179.01 178.39 2oee h LEU 100 N 0.51 0.73 -0.04 1.33 3.38 -0.88 -0.27 115.31 120.06 2oee h LEU 100 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2oee h LEU 100 Cb 0.03 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2oee h LEU 100 CO -0.02 0.52 0.02 0.78 0.09 0.00 0.00 178.44 179.82 2oee h ASN 101 N 0.87 0.03 -0.82 -0.43 4.21 -1.06 -1.49 115.58 116.89 2oee h ASN 101 Ca 0.26 0.00 0.12 0.00 1.21 0.00 0.00 56.30 57.89 2oee h ASN 101 Cb -0.04 -0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 37.07 2oee h ASN 101 CO -0.08 0.03 0.44 0.11 -1.29 0.00 0.00 177.43 176.63 2oee h LYS 102 N 0.05 0.67 0.42 0.81 1.57 -0.88 -3.04 116.57 116.16 2oee h LYS 102 Ca 0.02 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2oee h LYS 102 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.16 2oee h LYS 102 CO -0.01 0.44 -0.20 0.82 -0.57 0.00 0.00 179.45 179.93 2oee h ILE 103 N 0.69 0.59 0.00 1.86 2.04 -0.61 -2.89 117.51 119.20 2oee h ILE 103 Ca 0.42 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 66.19 2oee h ILE 103 Cb 0.50 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2oee h ILE 103 CO -0.30 0.02 0.00 2.30 0.00 0.00 0.00 178.15 180.16 2oee n ILE 104 N -5.31 1.10 0.00 -0.67 -5.35 -0.60 -4.68 119.36 103.85 2oee n ILE 104 Ca -0.11 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 2oee n ILE 104 Cb 0.25 -1.21 0.00 0.00 -1.74 0.00 0.00 39.64 36.94 2oee n ILE 104 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2oee n LYS 106 N 1.52 0.00 0.07 6.28 3.00 -1.09 -4.76 118.16 123.18 2oee n LYS 106 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.42 2oee n LYS 106 Cb 0.30 -0.13 0.58 0.00 0.00 0.00 0.00 35.03 35.78 2oee n LYS 106 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2oee h PRO 107 N 0.00 0.19 -0.19 1.64 0.13 -1.91 0.25 132.00 132.10 2oee h PRO 107 Ca 0.00 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.04 2oee h PRO 107 Cb 0.00 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.08 2oee h PRO 107 CO 0.00 0.12 -0.20 -0.07 -0.23 0.00 0.00 178.00 177.63 2oee h LEU 108 N 0.19 0.50 -0.64 1.56 3.38 -1.98 -1.99 115.31 116.33 2oee h LEU 108 Ca 0.15 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.69 2oee h LEU 108 Cb 0.36 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2oee h LEU 108 CO -0.03 0.88 0.35 -0.08 0.09 0.00 0.00 178.44 179.66 2oee h GLU 109 N 0.14 0.64 -0.33 1.13 4.81 -1.84 -1.29 114.58 117.85 2oee h GLU 109 Ca 0.03 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2oee h GLU 109 Cb 0.74 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 2oee h GLU 109 CO 0.05 0.43 0.11 0.93 -0.73 0.00 0.00 179.01 179.79 2oee h GLU 110 N 0.66 0.24 -0.19 1.92 5.08 -0.92 -3.03 114.58 118.34 2oee h GLU 110 Ca 0.28 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2oee h GLU 110 Cb 0.16 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2oee h GLU 110 CO -0.17 0.16 0.12 1.25 -1.00 0.00 0.00 179.01 179.36 2oee h LEU 111 N 0.25 0.20 -0.49 1.33 5.85 -0.80 -3.51 115.31 118.12 2oee h LEU 111 Ca 0.15 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2oee h LEU 111 Cb 0.13 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2oee h LEU 111 CO -0.16 0.14 0.00 -1.22 -0.34 0.00 0.00 178.44 176.87