#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u2m n ALA 21 N 0.00 0.00 -0.02 4.61 0.00 -1.26 -2.64 120.51 121.20 1u2m n ALA 21 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1u2m n ALA 21 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1u2m n ALA 21 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1u2m n ASP 22 N 0.00 1.44 -0.00 0.00 8.00 -1.26 -4.59 116.55 120.14 1u2m n ASP 22 Ca 0.00 0.26 0.09 0.00 0.71 0.00 0.00 54.79 55.84 1u2m n ASP 22 Cb 0.00 -0.36 -0.12 0.00 -0.02 0.00 0.00 41.12 40.62 1u2m n ASP 22 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1u2m n LYS 23 N -3.23 0.92 -5.13 -1.24 5.02 -1.08 -4.45 118.16 108.98 1u2m n LYS 23 Ca -0.27 -0.06 -0.29 0.00 -2.02 0.00 0.00 58.31 55.68 1u2m n LYS 23 Cb 1.05 -1.37 -0.16 0.00 -0.02 0.00 0.00 35.03 34.53 1u2m n LYS 23 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1u2m s ILE 24 N -2.89 1.80 0.20 -0.18 1.01 -1.26 -1.58 121.20 118.32 1u2m s ILE 24 Ca 0.02 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 1u2m s ILE 24 Cb 0.13 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 1u2m s ILE 24 CO 0.74 0.51 0.16 0.00 0.00 0.00 0.00 174.94 176.35 1u2m s ALA 25 N -0.43 1.06 0.16 9.38 0.00 -0.26 -4.33 121.76 127.33 1u2m s ALA 25 Ca 0.06 -1.64 0.07 0.00 0.00 0.00 0.00 51.96 50.45 1u2m s ALA 25 Cb -0.10 1.36 -0.04 0.00 0.00 0.00 0.00 23.12 24.35 1u2m s ALA 25 CO 0.00 -0.61 -0.15 0.96 0.00 0.00 0.00 175.76 175.96 1u2m s ILE 26 N -4.15 1.56 -0.07 0.00 -4.36 -0.30 -0.34 121.20 113.54 1u2m s ILE 26 Ca 0.38 -1.93 -0.09 0.00 -0.26 0.00 0.00 60.65 58.75 1u2m s ILE 26 Cb 0.06 -1.78 0.02 0.00 1.25 0.00 0.00 42.46 42.02 1u2m s ILE 26 CO 0.12 -0.46 0.23 0.54 0.24 0.00 0.00 174.94 175.60 1u2m s VAL 27 N -2.43 0.02 0.36 8.37 0.11 -0.16 -1.21 120.40 125.46 1u2m s VAL 27 Ca 0.15 -0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.08 1u2m s VAL 27 Cb -0.03 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 1u2m s VAL 27 CO 0.05 -0.07 0.56 0.21 -3.33 0.00 0.00 175.10 172.52 1u2m s ASN 28 N -0.19 6.16 0.00 3.54 3.84 -1.26 -0.67 114.94 126.36 1u2m s ASN 28 Ca -0.03 0.34 0.00 0.00 0.21 0.00 0.00 52.86 53.38 1u2m s ASN 28 Cb -0.03 -1.85 0.00 0.00 -0.55 0.00 0.00 41.25 38.83 1u2m s ASN 28 CO 0.01 -0.39 0.00 0.61 -2.79 0.00 0.00 177.10 174.54 1u2m n GLY 30 N -1.82 0.00 0.27 1.21 0.00 -1.26 -1.85 105.19 101.73 1u2m n GLY 30 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 1u2m n GLY 30 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1u2m h SER 31 N 0.00 0.98 -0.30 1.61 0.87 -1.99 -1.99 113.55 112.72 1u2m h SER 31 Ca 0.00 -0.43 -0.02 0.00 -1.23 0.00 0.00 61.79 60.11 1u2m h SER 31 Cb 0.00 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.67 1u2m h SER 31 CO 0.00 1.23 0.13 -0.07 -0.53 0.00 0.00 176.83 177.59 1u2m h LEU 32 N 0.76 0.41 -0.09 2.23 3.38 -1.77 -1.37 115.31 118.86 1u2m h LEU 32 Ca 0.07 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1u2m h LEU 32 Cb 0.94 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 1u2m h LEU 32 CO 0.09 0.45 -0.12 0.15 0.09 0.00 0.00 178.44 179.10 1u2m h PHE 33 N 0.34 -0.30 -0.08 1.13 3.04 -1.80 0.71 116.94 119.98 1u2m h PHE 33 Ca 0.10 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.09 1u2m h PHE 33 Cb 0.16 0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.79 1u2m h PHE 33 CO -0.01 -0.18 -0.06 0.37 -2.02 0.00 0.00 178.31 176.41 1u2m h GLN 34 N -0.16 -0.06 -0.66 1.11 4.15 -1.26 0.50 115.11 118.73 1u2m h GLN 34 Ca 0.08 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 1u2m h GLN 34 Cb 0.27 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 1u2m h GLN 34 CO -0.19 -0.04 0.28 1.96 -1.93 0.00 0.00 178.83 178.91 1u2m h GLN 35 N -0.07 0.97 -0.14 1.69 4.20 -0.96 -1.83 115.11 118.98 1u2m h GLN 35 Ca 0.05 -0.16 -0.15 0.00 0.06 0.00 0.00 58.65 58.46 1u2m h GLN 35 Cb 0.15 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1u2m h GLN 35 CO -0.13 0.79 -0.54 0.28 -0.67 0.00 0.00 178.83 178.56 1u2m h VAL 36 N 0.92 1.34 -0.16 -0.54 2.07 -0.71 -1.77 116.25 117.40 1u2m h VAL 36 Ca 0.22 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.92 1u2m h VAL 36 Cb 0.17 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1u2m h VAL 36 CO -0.02 0.55 0.08 0.00 0.02 0.00 0.00 177.57 178.20 1u2m h ALA 37 N 1.11 0.21 -0.11 1.67 0.00 -0.61 -1.49 119.26 120.04 1u2m h ALA 37 Ca 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1u2m h ALA 37 Cb 1.05 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1u2m h ALA 37 CO 0.09 -0.24 0.06 0.37 0.00 0.00 0.00 179.25 179.53 1u2m h GLN 38 N 0.15 0.15 -0.95 0.00 4.15 -1.30 0.22 115.11 117.53 1u2m h GLN 38 Ca 0.06 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.47 1u2m h GLN 38 Cb 0.10 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.72 1u2m h GLN 38 CO -0.01 0.18 0.63 -0.22 -1.93 0.00 0.00 178.83 177.48 1u2m h LYS 39 N 0.08 1.24 0.00 1.69 3.64 -1.24 -1.73 116.57 120.25 1u2m h LYS 39 Ca 0.04 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1u2m h LYS 39 Cb 0.07 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1u2m h LYS 39 CO -0.01 0.82 -0.12 1.79 -2.27 0.00 0.00 179.45 179.67 1u2m h THR 40 N 1.28 0.21 -1.46 1.00 1.35 -1.12 -3.47 112.91 110.69 1u2m h THR 40 Ca 0.35 -1.22 -0.25 0.00 -0.55 0.00 0.00 66.41 64.75 1u2m h THR 40 Cb -0.13 2.04 -0.03 0.00 -1.73 0.00 0.00 68.15 68.29 1u2m h THR 40 CO -0.08 0.11 -0.30 0.61 -0.25 0.00 0.00 175.52 175.62 1u2m n GLY 41 N 0.99 0.24 0.33 5.82 0.00 0.76 -4.91 105.19 108.41 1u2m n GLY 41 Ca 0.03 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.77 1u2m n GLY 41 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1u2m h VAL 42 N 0.00 0.66 -0.60 1.61 3.04 -1.78 -0.88 116.25 118.31 1u2m h VAL 42 Ca -0.28 -0.22 -0.09 0.00 -1.01 0.00 0.00 66.70 65.10 1u2m h VAL 42 Cb 1.11 -0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 30.34 1u2m h VAL 42 CO 0.35 0.12 0.00 -1.28 -1.01 0.00 0.00 177.57 175.75 1u2m h SER 43 N 0.63 1.02 0.26 3.17 0.87 -1.91 -1.58 113.55 116.01 1u2m h SER 43 Ca 0.54 -0.29 -0.19 0.00 -1.23 0.00 0.00 61.79 60.62 1u2m h SER 43 Cb 0.86 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1u2m h SER 43 CO -0.41 1.07 -0.74 -1.13 -0.53 0.00 0.00 176.83 175.08 1u2m h ASN 44 N 0.95 0.49 -0.30 6.23 -0.73 -1.69 -2.19 115.58 118.34 1u2m h ASN 44 Ca 0.17 -0.33 -0.04 0.00 1.87 0.00 0.00 56.30 57.97 1u2m h ASN 44 Cb 0.55 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.97 1u2m h ASN 44 CO 0.03 1.07 0.06 0.74 -0.37 0.00 0.00 177.43 178.96 1u2m h THR 45 N 0.28 1.19 -0.11 -3.57 2.02 -0.97 -0.89 112.91 110.87 1u2m h THR 45 Ca -0.03 -0.72 -0.20 0.00 0.77 0.00 0.00 66.41 66.22 1u2m h THR 45 Cb 1.33 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1u2m h THR 45 CO 0.13 0.26 -0.76 -0.07 0.37 0.00 0.00 175.52 175.45 1u2m h LEU 46 N 0.57 0.68 -0.21 2.58 3.38 -1.19 -2.27 115.31 118.85 1u2m h LEU 46 Ca 0.13 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1u2m h LEU 46 Cb 0.28 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1u2m h LEU 46 CO 0.00 1.22 0.14 -0.08 0.09 0.00 0.00 178.44 179.81 1u2m h GLU 47 N 0.39 0.28 -0.98 1.13 4.81 -0.85 -2.61 114.58 116.74 1u2m h GLU 47 Ca -0.04 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1u2m h GLU 47 Cb 1.36 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.63 1u2m h GLU 47 CO 0.14 0.19 0.64 -0.91 -0.73 0.00 0.00 179.01 178.34 1u2m h ASN 48 N 0.29 1.14 0.18 1.04 2.35 -1.10 -0.08 115.58 119.39 1u2m h ASN 48 Ca 0.08 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1u2m h ASN 48 Cb -0.03 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.05 1u2m h ASN 48 CO -0.02 0.83 -0.08 -0.08 -1.65 0.00 0.00 177.43 176.43 1u2m h GLU 49 N 1.33 0.00 -0.00 0.81 4.81 -1.05 -3.16 114.58 117.33 1u2m h GLU 49 Ca 0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1u2m h GLU 49 Cb -0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1u2m h GLU 49 CO -0.08 0.08 -0.18 1.19 -0.73 0.00 0.00 179.01 179.30 1u2m n PHE 50 N -3.92 0.00 -0.09 0.92 3.72 -0.99 -4.73 117.46 112.37 1u2m n PHE 50 Ca -0.02 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.31 1u2m n PHE 50 Cb 0.18 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 1u2m n PHE 50 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1u2m h LYS 51 N 0.39 -0.12 0.34 -1.08 1.63 -0.98 -0.23 116.57 116.51 1u2m h LYS 51 Ca 0.00 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1u2m h LYS 51 Cb 0.17 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 1u2m h LYS 51 CO 0.00 -0.08 -0.30 0.78 -3.45 0.00 0.00 179.45 176.40 1u2m h GLY 52 N -0.13 -0.70 2.00 5.01 0.00 -1.85 -0.76 103.07 106.65 1u2m h GLY 52 Ca 0.17 0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.82 1u2m h GLY 52 CO -0.42 -0.27 -0.09 3.21 0.00 0.00 0.00 176.54 178.97 1u2m h ARG 53 N -0.65 0.00 -0.29 4.80 3.08 -1.84 -1.89 114.38 117.60 1u2m h ARG 53 Ca -0.02 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.87 1u2m h ARG 53 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 1u2m h ARG 53 CO -0.04 0.09 -0.44 0.00 -1.07 0.00 0.00 179.97 178.52 1u2m h ALA 54 N 1.91 0.44 -0.22 0.04 0.00 -0.46 -1.47 119.26 119.50 1u2m h ALA 54 Ca -0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1u2m h ALA 54 Cb 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1u2m h ALA 54 CO 0.01 0.58 0.00 0.77 0.00 0.00 0.00 179.25 180.62 1u2m h SER 55 N 0.57 0.37 -0.33 0.00 0.02 -0.75 -1.42 113.55 112.01 1u2m h SER 55 Ca 0.03 -0.30 0.07 0.00 -0.84 0.00 0.00 61.79 60.74 1u2m h SER 55 Cb 1.04 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 63.41 1u2m h SER 55 CO 0.10 0.59 -0.09 -0.08 -1.14 0.00 0.00 176.83 176.21 1u2m h GLU 56 N 0.15 -0.00 -0.58 3.45 4.81 -1.33 0.12 114.58 121.20 1u2m h GLU 56 Ca 0.06 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1u2m h GLU 56 Cb 0.39 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1u2m h GLU 56 CO 0.01 -0.00 0.28 -0.07 -0.73 0.00 0.00 179.01 178.50 1u2m h LEU 57 N -0.00 0.73 -0.50 1.64 3.38 -1.17 -2.56 115.31 116.82 1u2m h LEU 57 Ca 0.16 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1u2m h LEU 57 Cb 0.25 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1u2m h LEU 57 CO -0.35 0.61 0.02 -0.61 0.09 0.00 0.00 178.44 178.21 1u2m h GLN 58 N 0.81 0.86 -1.85 1.13 4.15 0.07 -2.36 115.11 117.92 1u2m h GLN 58 Ca 0.20 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1u2m h GLN 58 Cb 0.08 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.68 1u2m h GLN 58 CO -0.03 0.89 0.00 0.54 -1.93 0.00 0.00 178.83 178.30 1u2m n ARG 59 N -4.35 0.23 0.00 1.69 1.74 0.24 -1.80 116.66 114.42 1u2m n ARG 59 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1u2m n ARG 59 Cb 0.30 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1u2m n ARG 59 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1u2m n GLU 61 N 1.23 0.00 -0.10 5.56 2.13 -0.89 -0.99 120.64 127.57 1u2m n GLU 61 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 1u2m n GLU 61 Cb 0.11 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.81 1u2m n GLU 61 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1u2m h THR 62 N 0.00 1.16 0.00 6.31 2.02 -1.64 -1.12 112.91 119.64 1u2m h THR 62 Ca 0.00 -0.44 -0.08 0.00 0.77 0.00 0.00 66.41 66.65 1u2m h THR 62 Cb 0.00 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1u2m h THR 62 CO 0.00 0.16 -0.40 -0.78 0.37 0.00 0.00 175.52 174.88 1u2m h ASP 63 N 0.39 0.00 1.13 4.18 1.82 -1.34 -2.71 116.42 119.88 1u2m h ASP 63 Ca 0.11 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.61 1u2m h ASP 63 Cb 0.11 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.10 1u2m h ASP 63 CO -0.01 0.40 -0.66 0.25 -1.61 0.00 0.00 179.24 177.60 1u2m h LEU 64 N 0.00 0.00 0.07 2.28 5.85 -1.70 -2.91 115.31 118.89 1u2m h LEU 64 Ca -0.00 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.44 1u2m h LEU 64 Cb 0.87 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.92 1u2m h LEU 64 CO 0.05 0.66 -1.20 1.56 -0.34 0.00 0.00 178.44 179.17 1u2m h GLN 65 N 0.00 0.47 -0.94 1.25 4.20 -1.08 -3.25 115.11 115.76 1u2m h GLN 65 Ca -0.01 -0.65 0.01 0.00 0.06 0.00 0.00 58.65 58.07 1u2m h GLN 65 Cb 1.40 0.22 -0.05 0.00 0.30 0.00 0.00 27.48 29.35 1u2m h GLN 65 CO 0.09 1.28 0.62 0.00 -0.67 0.00 0.00 178.83 180.14 1u2m h ALA 66 N 0.47 1.34 0.00 3.87 0.00 -1.48 0.16 119.26 123.61 1u2m h ALA 66 Ca -0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1u2m h ALA 66 Cb 1.88 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1u2m h ALA 66 CO 0.22 0.61 0.00 1.63 0.00 0.00 0.00 179.25 181.70 1u2m n LYS 67 N -4.40 0.61 0.00 0.00 5.02 -1.10 -2.74 118.16 115.54 1u2m n LYS 67 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1u2m n LYS 67 Cb 0.03 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 1u2m n LYS 67 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1u2m n LYS 69 N 0.70 0.00 0.10 1.97 4.81 0.56 -0.31 118.16 125.98 1u2m n LYS 69 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.20 1u2m n LYS 69 Cb 0.30 -0.05 -0.15 0.00 0.02 0.00 0.00 35.03 35.15 1u2m n LYS 69 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1u2m h LYS 70 N 0.00 0.44 0.00 1.64 1.57 -1.79 -3.26 116.57 115.18 1u2m h LYS 70 Ca 0.00 -0.76 0.00 0.00 -1.87 0.00 0.00 60.65 58.02 1u2m h LYS 70 Cb 0.00 0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1u2m h LYS 70 CO 0.00 1.36 0.00 -0.11 -0.57 0.00 0.00 179.45 180.13 1u2m n LEU 71 N -3.71 0.00 -0.01 2.94 7.94 0.58 -0.34 117.00 124.40 1u2m n LEU 71 Ca -0.21 0.24 0.10 0.00 -1.11 0.00 0.00 56.01 55.04 1u2m n LEU 71 Cb 1.06 -0.24 -0.14 0.00 0.53 0.00 0.00 43.42 44.63 1u2m n LEU 71 CO 0.54 -0.23 -0.44 0.00 -1.11 0.00 0.00 177.39 176.16 1u2m n GLN 72 N -1.24 0.58 -3.76 1.96 3.00 -1.23 -5.06 117.38 111.63 1u2m n GLN 72 Ca 0.01 -0.10 -0.28 0.00 -0.01 0.00 0.00 57.00 56.62 1u2m n GLN 72 Cb 0.02 -1.45 -0.11 0.00 0.00 0.00 0.00 30.24 28.69 1u2m n GLN 72 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1u2m n SER 73 N -1.88 2.92 -4.26 1.08 3.41 0.54 -5.11 113.62 110.31 1u2m n SER 73 Ca -0.01 -3.20 -0.25 0.00 -0.26 0.00 0.00 58.87 55.15 1u2m n SER 73 Cb 0.43 -0.73 -0.14 0.00 -0.26 0.00 0.00 64.21 63.52 1u2m n SER 73 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1u2m s LYS 75 N -1.58 1.35 0.64 4.33 3.01 -1.26 -5.07 119.74 121.16 1u2m s LYS 75 Ca 0.29 -1.00 -0.17 0.00 -1.01 0.00 0.00 55.97 54.08 1u2m s LYS 75 Cb 0.00 -1.50 -0.05 0.00 -1.01 0.00 0.00 37.83 35.27 1u2m s LYS 75 CO -0.14 0.38 0.69 0.00 0.51 0.00 0.00 175.35 176.79 1u2m n ALA 76 N 1.67 -0.79 0.00 5.17 0.00 -1.26 -4.48 120.51 120.82 1u2m n ALA 76 Ca -0.18 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1u2m n ALA 76 Cb 0.53 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1u2m n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u2m n GLY 77 N 1.54 -0.22 0.21 0.00 0.00 -1.26 -4.90 105.19 100.56 1u2m n GLY 77 Ca 0.12 -1.60 -0.08 0.00 0.00 0.00 0.00 46.02 44.46 1u2m n GLY 77 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1u2m h SER 78 N 0.00 0.59 -0.47 1.61 0.87 -1.99 -1.42 113.55 112.75 1u2m h SER 78 Ca 0.00 -0.08 -0.13 0.00 -1.23 0.00 0.00 61.79 60.35 1u2m h SER 78 Cb 0.00 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1u2m h SER 78 CO 0.00 0.51 -0.20 0.44 -0.53 0.00 0.00 176.83 177.04 1u2m h ASP 79 N 0.64 1.01 -0.06 6.23 3.32 -1.93 -1.65 116.42 123.97 1u2m h ASP 79 Ca 0.17 -0.37 -0.13 0.00 0.02 0.00 0.00 57.03 56.71 1u2m h ASP 79 Cb 0.04 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1u2m h ASP 79 CO -0.03 1.17 -0.40 -0.09 -1.72 0.00 0.00 179.24 178.16 1u2m h ARG 80 N 0.85 0.59 -0.13 3.56 2.43 -1.76 -1.66 114.38 118.27 1u2m h ARG 80 Ca 0.11 -0.30 -0.11 0.00 -0.81 0.00 0.00 59.98 58.87 1u2m h ARG 80 Cb 0.78 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1u2m h ARG 80 CO 0.06 0.89 -0.41 1.15 -1.51 0.00 0.00 179.97 180.15 1u2m h THR 81 N 0.48 1.31 -0.09 0.20 2.02 -1.16 -1.68 112.91 114.00 1u2m h THR 81 Ca 0.04 -1.54 -0.16 0.00 0.77 0.00 0.00 66.41 65.52 1u2m h THR 81 Cb 0.91 1.67 0.01 0.00 -1.74 0.00 0.00 68.15 69.01 1u2m h THR 81 CO 0.08 0.46 -0.57 0.50 0.37 0.00 0.00 175.52 176.36 1u2m h LYS 82 N 0.24 0.55 -0.53 6.66 3.64 -1.08 -2.45 116.57 123.59 1u2m h LYS 82 Ca 0.02 -0.47 -0.09 0.00 -1.27 0.00 0.00 60.65 58.85 1u2m h LYS 82 Cb 0.84 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1u2m h LYS 82 CO 0.07 1.10 -0.02 1.25 -2.27 0.00 0.00 179.45 179.57 1u2m h LEU 83 N 0.15 0.89 0.17 5.20 5.85 -1.24 -1.29 115.31 125.05 1u2m h LEU 83 Ca -0.05 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 1u2m h LEU 83 Cb 1.22 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1u2m h LEU 83 CO 0.12 0.96 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.77 1u2m h GLU 84 N 0.84 -0.22 -0.44 1.25 5.08 -1.33 0.45 114.58 120.21 1u2m h GLU 84 Ca 0.15 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.62 1u2m h GLU 84 Cb 0.52 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1u2m h GLU 84 CO 0.03 -0.06 0.30 -0.22 -1.00 0.00 0.00 179.01 178.05 1u2m h LYS 85 N -0.34 0.19 0.15 2.33 3.64 -1.32 -2.18 116.57 119.04 1u2m h LYS 85 Ca -0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1u2m h LYS 85 Cb 0.26 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1u2m h LYS 85 CO 0.04 0.13 -0.07 0.22 -2.27 0.00 0.00 179.45 177.49 1u2m h ASP 86 N 0.20 -0.17 0.00 4.20 3.58 -0.36 -2.76 116.42 121.11 1u2m h ASP 86 Ca 0.20 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.27 1u2m h ASP 86 Cb 0.54 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1u2m h ASP 86 CO -0.03 0.38 0.00 0.52 -2.88 0.00 0.00 179.24 177.22 1u2m n VAL 87 N -4.92 0.00 0.00 2.25 0.31 0.15 -1.18 118.33 114.94 1u2m n VAL 87 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1u2m n VAL 87 Cb 0.27 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1u2m n VAL 87 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u2m n ALA 89 N 0.74 0.00 -0.08 3.52 0.00 -1.04 -0.84 120.51 122.81 1u2m n ALA 89 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1u2m n ALA 89 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1u2m n ALA 89 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1u2m h GLN 90 N 0.00 0.37 -0.66 0.00 4.20 -1.44 -2.72 115.11 114.86 1u2m h GLN 90 Ca 0.00 -0.06 0.13 0.00 0.06 0.00 0.00 58.65 58.78 1u2m h GLN 90 Cb 0.00 -0.06 -0.09 0.00 0.30 0.00 0.00 27.48 27.62 1u2m h GLN 90 CO 0.00 0.39 0.15 0.00 -0.67 0.00 0.00 178.83 178.71 1u2m h ARG 91 N 0.26 0.27 -0.65 1.46 3.08 -1.26 0.45 114.38 117.99 1u2m h ARG 91 Ca 0.08 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 1u2m h ARG 91 Cb 0.15 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1u2m h ARG 91 CO -0.01 0.18 0.24 0.37 -1.07 0.00 0.00 179.97 179.68 1u2m h GLN 92 N 0.28 0.96 -0.19 0.04 4.15 -1.78 -0.27 115.11 118.29 1u2m h GLN 92 Ca 0.35 -0.17 -0.06 0.00 0.77 0.00 0.00 58.65 59.54 1u2m h GLN 92 Cb 0.55 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 1u2m h GLN 92 CO -0.44 0.80 -0.13 1.15 -1.93 0.00 0.00 178.83 178.28 1u2m h THR 93 N 0.94 1.32 0.16 2.39 2.02 -0.74 -1.70 112.91 117.30 1u2m h THR 93 Ca 0.22 -1.23 0.01 0.00 0.77 0.00 0.00 66.41 66.18 1u2m h THR 93 Cb 0.21 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 1u2m h THR 93 CO -0.02 0.37 -0.27 0.15 0.37 0.00 0.00 175.52 176.13 1u2m h PHE 94 N 0.11 -0.72 0.12 3.16 3.57 0.10 0.70 116.94 123.98 1u2m h PHE 94 Ca 0.04 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1u2m h PHE 94 Cb 0.64 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.63 1u2m h PHE 94 CO 0.07 -0.38 -0.40 0.00 -2.23 0.00 0.00 178.31 175.38 1u2m h ALA 95 N 0.20 -0.70 0.00 2.41 0.00 -1.05 0.50 119.26 120.62 1u2m h ALA 95 Ca 0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1u2m h ALA 95 Cb 0.51 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1u2m h ALA 95 CO -0.13 -0.96 -0.00 0.37 0.00 0.00 0.00 179.25 178.53 1u2m h GLN 96 N -0.63 0.00 0.09 0.00 4.15 -1.13 0.42 115.11 118.02 1u2m h GLN 96 Ca 0.02 0.00 -0.36 0.00 0.77 0.00 0.00 58.65 59.08 1u2m h GLN 96 Cb 0.66 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.32 1u2m h GLN 96 CO -0.23 0.00 -2.05 1.17 -1.93 0.00 0.00 178.83 175.79 1u2m n LYS 97 N -3.34 0.73 0.16 1.69 4.81 0.22 -3.47 118.16 118.97 1u2m n LYS 97 Ca -0.03 0.24 0.01 0.00 -0.87 0.00 0.00 58.31 57.66 1u2m n LYS 97 Cb 0.08 -1.68 0.27 0.00 0.02 0.00 0.00 35.03 33.72 1u2m n LYS 97 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1u2m h ALA 98 N 0.16 1.16 0.07 3.14 0.00 0.36 -0.96 119.26 123.19 1u2m h ALA 98 Ca -0.44 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.02 1u2m h ALA 98 Cb 2.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1u2m h ALA 98 CO 0.06 0.61 -0.03 0.37 0.00 0.00 0.00 179.25 180.26 1u2m h GLN 99 N 0.00 -0.09 0.00 0.00 4.15 -1.09 -2.11 115.11 115.97 1u2m h GLN 99 Ca -0.00 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1u2m h GLN 99 Cb 0.89 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.60 1u2m h GLN 99 CO 0.06 0.34 -0.02 0.00 -1.93 0.00 0.00 178.83 177.29 1u2m h ALA 100 N 0.30 1.83 0.19 3.38 0.00 -1.56 -1.83 119.26 121.58 1u2m h ALA 100 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1u2m h ALA 100 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1u2m h ALA 100 CO 0.02 0.02 -0.09 0.35 0.00 0.00 0.00 179.25 179.55 1u2m h PHE 101 N 0.00 -0.24 -1.04 0.00 3.57 -1.03 -2.18 116.94 116.02 1u2m h PHE 101 Ca -0.00 -0.01 0.27 0.00 3.53 0.00 0.00 57.97 61.77 1u2m h PHE 101 Cb 0.03 0.08 -0.11 0.00 2.79 0.00 0.00 35.95 38.74 1u2m h PHE 101 CO 0.00 -0.15 0.65 0.93 -2.23 0.00 0.00 178.31 177.51 1u2m h GLU 102 N -0.38 0.43 0.20 1.11 4.39 -1.27 0.59 114.58 119.66 1u2m h GLU 102 Ca -0.03 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1u2m h GLU 102 Cb 0.20 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1u2m h GLU 102 CO 0.04 0.28 -0.10 1.96 -1.16 0.00 0.00 179.01 180.04 1u2m h GLN 103 N 0.44 -0.26 -0.37 2.33 4.20 -1.38 -2.11 115.11 117.96 1u2m h GLN 103 Ca 0.63 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.35 1u2m h GLN 103 Cb 1.48 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.30 1u2m h GLN 103 CO -0.39 0.04 0.18 -0.44 -0.67 0.00 0.00 178.83 177.55 1u2m h ASP 104 N -0.56 0.45 0.63 1.46 3.45 -0.53 0.14 116.42 121.45 1u2m h ASP 104 Ca -0.03 -0.03 -0.03 0.00 0.43 0.00 0.00 57.03 57.37 1u2m h ASP 104 Cb 0.42 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.08 1u2m h ASP 104 CO 0.05 0.38 -0.33 -0.09 -1.57 0.00 0.00 179.24 177.68 1u2m h ARG 105 N 0.51 -0.85 -0.60 3.56 2.43 -0.85 0.85 114.38 119.43 1u2m h ARG 105 Ca 0.13 0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.46 1u2m h ARG 105 Cb 0.05 0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 29.72 1u2m h ARG 105 CO -0.02 -0.57 0.20 0.00 -1.51 0.00 0.00 179.97 178.07 1u2m h ALA 106 N -1.51 0.76 0.24 2.80 0.00 -1.10 0.16 119.26 120.60 1u2m h ALA 106 Ca -0.09 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1u2m h ALA 106 Cb 0.69 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1u2m h ALA 106 CO 0.12 -0.23 -0.11 -0.09 0.00 0.00 0.00 179.25 178.94 1u2m h ARG 107 N 0.36 -0.31 -0.94 0.00 2.43 -0.65 -0.84 114.38 114.43 1u2m h ARG 107 Ca 0.31 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.50 1u2m h ARG 107 Cb 0.40 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.97 1u2m h ARG 107 CO -0.33 -0.17 0.61 0.00 -1.51 0.00 0.00 179.97 178.57 1u2m h ARG 108 N -0.37 1.24 -0.03 0.20 2.47 -0.39 0.71 114.38 118.21 1u2m h ARG 108 Ca -0.03 -0.08 0.01 0.00 -1.26 0.00 0.00 59.98 58.62 1u2m h ARG 108 Cb 0.28 -0.28 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 1u2m h ARG 108 CO 0.05 0.83 -0.04 1.03 0.56 0.00 0.00 179.97 182.41 1u2m h SER 109 N 1.27 -0.11 -0.58 7.04 0.87 -0.53 -0.70 113.55 120.82 1u2m h SER 109 Ca 0.34 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.91 1u2m h SER 109 Cb -0.13 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 1u2m h SER 109 CO -0.07 -0.06 0.32 0.78 -0.53 0.00 0.00 176.83 177.27 1u2m h ASN 110 N -0.06 0.72 -0.90 6.23 -0.26 -0.61 -0.56 115.58 120.15 1u2m h ASN 110 Ca 0.03 -0.09 0.03 0.00 -0.56 0.00 0.00 56.30 55.70 1u2m h ASN 110 Cb 0.09 -0.18 -0.05 0.00 -1.06 0.00 0.00 38.32 37.11 1u2m h ASN 110 CO -0.06 0.61 0.58 -0.33 -1.06 0.00 0.00 177.43 177.17 1u2m h GLU 111 N 0.78 1.10 -0.09 0.81 5.08 -0.52 -0.25 114.58 121.49 1u2m h GLU 111 Ca 0.20 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 1u2m h GLU 111 Cb 0.05 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 1u2m h GLU 111 CO -0.03 0.73 -0.15 0.93 -1.00 0.00 0.00 179.01 179.48 1u2m h GLU 112 N 1.14 0.27 -0.46 2.33 4.39 -0.64 -1.71 114.58 119.90 1u2m h GLU 112 Ca 0.36 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 1u2m h GLU 112 Cb -0.01 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1u2m h GLU 112 CO -0.11 0.74 0.26 0.00 -1.16 0.00 0.00 179.01 178.74 1u2m h ARG 113 N -0.17 0.62 -0.25 2.33 2.47 -0.97 -1.54 114.38 116.87 1u2m h ARG 113 Ca 0.01 -0.05 -0.13 0.00 -1.26 0.00 0.00 59.98 58.54 1u2m h ARG 113 Cb 0.72 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.90 1u2m h ARG 113 CO 0.04 0.45 -0.40 0.78 0.56 0.00 0.00 179.97 181.39 1u2m h GLY 114 N 0.69 0.63 1.38 0.04 0.00 -0.95 -1.57 103.07 103.30 1u2m h GLY 114 Ca 0.16 -0.63 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 1u2m h GLY 114 CO -0.03 0.57 -0.07 0.50 0.00 0.00 0.00 176.54 177.50 1u2m h LYS 115 N 0.48 0.74 0.13 4.80 1.57 -0.36 -1.94 116.57 121.99 1u2m h LYS 115 Ca 0.04 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1u2m h LYS 115 Cb 0.90 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1u2m h LYS 115 CO 0.08 0.80 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.63 1u2m h LEU 116 N 0.68 -0.15 -0.58 2.94 4.07 -1.08 -2.19 115.31 119.00 1u2m h LEU 116 Ca 0.12 -0.13 0.09 0.00 0.08 0.00 0.00 57.88 58.05 1u2m h LEU 116 Cb 0.53 0.04 -0.07 0.00 1.08 0.00 0.00 40.66 42.23 1u2m h LEU 116 CO 0.03 0.04 0.18 0.58 -1.08 0.00 0.00 178.44 178.19 1u2m h VAL 117 N -0.34 0.74 -0.63 1.22 2.07 -1.12 -1.04 116.25 117.14 1u2m h VAL 117 Ca -0.02 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1u2m h VAL 117 Cb 0.27 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1u2m h VAL 117 CO 0.03 0.06 0.41 0.74 0.02 0.00 0.00 177.57 178.83 1u2m h THR 118 N 0.34 1.17 -0.48 2.57 2.02 -1.25 0.10 112.91 117.39 1u2m h THR 118 Ca 0.29 -0.34 -0.09 0.00 0.77 0.00 0.00 66.41 67.05 1u2m h THR 118 Cb 0.38 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1u2m h THR 118 CO -0.33 0.17 -0.05 0.03 0.37 0.00 0.00 175.52 175.72 1u2m h ARG 119 N 0.86 0.82 -0.26 6.66 3.08 -0.79 -0.89 114.38 123.87 1u2m h ARG 119 Ca 0.23 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1u2m h ARG 119 Cb -0.07 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1u2m h ARG 119 CO -0.05 0.86 -0.05 0.82 -1.07 0.00 0.00 179.97 180.48 1u2m h ILE 120 N 0.76 1.28 -0.12 2.04 2.04 -0.71 -2.65 117.51 120.14 1u2m h ILE 120 Ca 0.14 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 1u2m h ILE 120 Cb 0.53 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1u2m h ILE 120 CO 0.03 0.33 -0.01 1.56 0.00 0.00 0.00 178.15 180.06 1u2m h GLN 121 N 0.24 0.17 -0.59 2.37 4.20 -0.48 0.11 115.11 121.13 1u2m h GLN 121 Ca 0.07 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 1u2m h GLN 121 Cb 0.51 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 1u2m h GLN 121 CO 0.02 0.20 0.02 1.15 -0.67 0.00 0.00 178.83 179.55 1u2m h THR 122 N 0.17 1.26 -0.38 -0.54 2.02 -1.04 -1.19 112.91 113.21 1u2m h THR 122 Ca 0.04 -1.11 -0.10 0.00 0.77 0.00 0.00 66.41 66.01 1u2m h THR 122 Cb 0.13 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1u2m h THR 122 CO 0.00 0.40 -0.15 0.00 0.37 0.00 0.00 175.52 176.14 1u2m h ALA 123 N 0.98 0.54 -0.18 6.16 0.00 -0.76 -1.82 119.26 124.18 1u2m h ALA 123 Ca 0.17 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1u2m h ALA 123 Cb 0.52 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1u2m h ALA 123 CO 0.03 0.45 0.06 0.28 0.00 0.00 0.00 179.25 180.07 1u2m h VAL 124 N 0.59 0.96 -0.58 0.00 2.07 -0.60 -0.90 116.25 117.78 1u2m h VAL 124 Ca 0.09 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.61 1u2m h VAL 124 Cb 0.70 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 1u2m h VAL 124 CO 0.05 0.03 0.30 0.50 0.02 0.00 0.00 177.57 178.47 1u2m h LYS 125 N 0.15 0.55 0.21 1.57 3.64 -1.17 0.79 116.57 122.32 1u2m h LYS 125 Ca 0.08 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1u2m h LYS 125 Cb 0.05 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1u2m h LYS 125 CO -0.08 0.37 -0.11 1.03 -2.27 0.00 0.00 179.45 178.39 1u2m h SER 126 N 0.57 -0.26 -0.93 4.20 0.87 -0.72 -0.23 113.55 117.05 1u2m h SER 126 Ca 0.26 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1u2m h SER 126 Cb 0.17 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 1u2m h SER 126 CO -0.18 -0.18 0.54 0.58 -0.53 0.00 0.00 176.83 177.06 1u2m h VAL 127 N -0.29 1.26 -0.42 2.23 2.07 -0.97 -0.15 116.25 119.98 1u2m h VAL 127 Ca -0.03 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1u2m h VAL 127 Cb 0.23 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 1u2m h VAL 127 CO 0.04 0.28 0.15 0.00 0.02 0.00 0.00 177.57 178.06 1u2m h ALA 128 N 1.29 0.54 -0.43 1.67 0.00 -0.55 -1.40 119.26 120.39 1u2m h ALA 128 Ca 0.33 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1u2m h ALA 128 Cb -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1u2m h ALA 128 CO -0.06 0.17 -0.16 -0.91 0.00 0.00 0.00 179.25 178.29 1u2m h ASN 129 N 0.53 0.80 -0.97 0.00 2.35 -0.71 -0.16 115.58 117.43 1u2m h ASN 129 Ca 0.14 -0.26 0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1u2m h ASN 129 Cb 0.22 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 1u2m h ASN 129 CO -0.01 0.96 0.64 0.28 -1.65 0.00 0.00 177.43 177.65 1u2m h SER 130 N 0.71 1.08 -0.70 5.81 0.02 -0.65 -2.91 113.55 116.91 1u2m h SER 130 Ca 0.11 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1u2m h SER 130 Cb 0.66 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1u2m h SER 130 CO 0.05 0.76 0.00 0.00 -1.14 0.00 0.00 176.83 176.50 1u2m n GLN 131 N -4.41 2.85 -3.68 3.45 6.02 -0.56 -4.98 117.38 116.07 1u2m n GLN 131 Ca 0.12 -2.65 -0.25 0.00 -0.01 0.00 0.00 57.00 54.21 1u2m n GLN 131 Cb 0.06 -1.58 0.06 0.00 1.02 0.00 0.00 30.24 29.79 1u2m n GLN 131 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1u2m n ASP 132 N 1.52 -5.02 -4.67 1.08 -0.08 -0.41 -4.99 116.55 103.98 1u2m n ASP 132 Ca 0.24 -0.64 -0.37 0.00 -1.51 0.00 0.00 54.79 52.51 1u2m n ASP 132 Cb 0.64 -4.64 -0.08 0.00 2.34 0.00 0.00 41.12 39.37 1u2m n ASP 132 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1u2m s ILE 133 N -3.35 5.30 0.01 5.18 1.01 -0.21 -4.64 121.20 124.51 1u2m s ILE 133 Ca 0.50 0.41 0.11 0.00 0.00 0.00 0.00 60.65 61.67 1u2m s ILE 133 Cb -0.23 -3.60 -0.20 0.00 0.01 0.00 0.00 42.46 38.45 1u2m s ILE 133 CO 0.77 0.32 0.98 0.44 0.00 0.00 0.00 174.94 177.44 1u2m h ASP 134 N 7.33 0.00 -3.46 3.58 3.32 -1.61 -3.42 116.42 122.17 1u2m h ASP 134 Ca -0.38 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.34 1u2m h ASP 134 Cb 1.16 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.36 1u2m h ASP 134 CO 0.69 0.94 -0.74 -0.22 -1.72 0.00 0.00 179.24 178.20 1u2m s LEU 135 N -6.35 0.89 -0.22 1.55 2.96 -0.61 -5.05 118.68 111.85 1u2m s LEU 135 Ca -0.02 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 1u2m s LEU 135 Cb 0.09 -0.14 0.03 0.00 0.50 0.00 0.00 46.19 46.67 1u2m s LEU 135 CO 0.82 -0.15 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.87 1u2m s VAL 136 N 1.32 2.37 0.03 1.68 1.01 -1.26 -1.10 120.40 124.45 1u2m s VAL 136 Ca -0.06 -1.09 -0.08 0.00 0.00 0.00 0.00 61.98 60.76 1u2m s VAL 136 Cb -0.13 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 1u2m s VAL 136 CO -0.03 0.32 0.32 -0.69 0.00 0.00 0.00 175.10 175.02 1u2m s VAL 137 N 1.27 5.22 0.04 2.92 1.01 0.54 -4.90 120.40 126.50 1u2m s VAL 137 Ca 0.01 0.28 -0.31 0.00 0.00 0.00 0.00 61.98 61.96 1u2m s VAL 137 Cb -0.16 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 1u2m s VAL 137 CO -0.09 0.34 1.29 -0.62 0.00 0.00 0.00 175.10 176.03 1u2m s ASP 138 N -1.71 6.96 0.52 3.32 2.15 -1.26 -0.98 116.67 125.67 1u2m s ASP 138 Ca 0.29 2.08 0.26 0.00 0.43 0.00 0.00 52.55 55.62 1u2m s ASP 138 Cb -0.13 -2.57 1.39 0.00 -0.30 0.00 0.00 42.92 41.30 1u2m s ASP 138 CO 0.17 -0.59 1.95 0.00 -0.17 0.00 0.00 175.17 176.53 1u2m h ALA 139 N 7.15 2.58 0.00 3.66 0.00 -1.26 0.94 119.26 132.34 1u2m h ALA 139 Ca -0.40 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1u2m h ALA 139 Cb 1.20 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1u2m h ALA 139 CO 0.85 -0.78 -0.01 -0.97 0.00 0.00 0.00 179.25 178.35 1u2m h ASN 140 N 0.05 0.00 -0.69 0.00 -0.73 -1.90 -1.02 115.58 111.28 1u2m h ASN 140 Ca 0.33 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.50 1u2m h ASN 140 Cb 1.25 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.84 1u2m h ASN 140 CO -0.02 0.01 0.00 0.00 -0.37 0.00 0.00 177.43 177.05 1u2m n ALA 141 N -2.31 2.39 -3.63 1.57 0.00 0.32 -4.88 120.51 113.97 1u2m n ALA 141 Ca -0.03 -1.24 -0.34 0.00 0.00 0.00 0.00 53.44 51.83 1u2m n ALA 141 Cb 0.09 -0.94 -0.14 0.00 0.00 0.00 0.00 19.45 18.46 1u2m n ALA 141 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u2m s VAL 142 N -1.08 3.05 -0.39 0.00 1.01 -0.39 -4.97 120.40 117.63 1u2m s VAL 142 Ca 0.47 -0.61 0.23 0.00 0.00 0.00 0.00 61.98 62.08 1u2m s VAL 142 Cb 0.25 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 34.26 1u2m s VAL 142 CO 0.33 0.46 1.12 0.00 0.00 0.00 0.00 175.10 177.00 1u2m n ALA 143 N 4.70 2.73 -3.61 5.51 0.00 -1.26 -4.93 120.51 123.64 1u2m n ALA 143 Ca -0.19 -0.26 -0.10 0.00 0.00 0.00 0.00 53.44 52.90 1u2m n ALA 143 Cb 0.51 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 1u2m n ALA 143 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1u2m s TYR 144 N -3.29 -0.42 -0.11 0.00 5.04 -1.26 -5.16 117.35 112.14 1u2m s TYR 144 Ca 0.02 0.92 -0.09 0.00 -2.44 0.00 0.00 57.07 55.48 1u2m s TYR 144 Cb 0.11 0.40 0.03 0.00 0.35 0.00 0.00 41.96 42.85 1u2m s TYR 144 CO 0.77 -0.28 0.28 0.54 -1.34 0.00 0.00 175.55 175.53 1u2m s ASN 145 N -0.34 -0.30 0.75 4.32 2.20 -1.26 -5.15 114.94 115.16 1u2m s ASN 145 Ca 0.01 0.57 -0.15 0.00 -0.94 0.00 0.00 52.86 52.35 1u2m s ASN 145 Cb -0.03 0.56 0.05 0.00 -2.00 0.00 0.00 41.25 39.83 1u2m s ASN 145 CO -0.03 -0.11 1.24 -0.55 -2.94 0.00 0.00 177.10 174.71 1u2m s SER 146 N 0.32 3.94 0.03 3.54 0.15 -1.26 -4.90 113.70 115.51 1u2m s SER 146 Ca -0.01 2.47 0.14 0.00 0.70 0.00 0.00 55.95 59.25 1u2m s SER 146 Cb -0.03 -2.60 0.59 0.00 -1.71 0.00 0.00 66.02 62.27 1u2m s SER 146 CO -0.01 -2.44 1.44 -1.54 1.20 0.00 0.00 173.24 171.89 1u2m n SER 147 N -2.79 0.08 -0.78 5.45 3.41 -1.26 -1.29 113.62 116.45 1u2m n SER 147 Ca 0.14 0.52 0.09 0.00 -0.26 0.00 0.00 58.87 59.37 1u2m n SER 147 Cb 0.50 -0.54 0.27 0.00 -0.26 0.00 0.00 64.21 64.18 1u2m n SER 147 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1u2m n ASP 148 N -1.59 2.29 -4.55 4.04 5.75 -1.26 -4.71 116.55 116.51 1u2m n ASP 148 Ca 0.03 -1.88 -0.40 0.00 -0.01 0.00 0.00 54.79 52.52 1u2m n ASP 148 Cb 0.15 -0.21 -0.09 0.00 -1.03 0.00 0.00 41.12 39.94 1u2m n ASP 148 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1u2m s VAL 149 N -1.57 5.18 0.30 2.12 1.01 -0.41 -4.61 120.40 122.42 1u2m s VAL 149 Ca 0.32 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.13 1u2m s VAL 149 Cb 0.18 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 1u2m s VAL 149 CO 0.25 -0.03 1.42 -0.54 0.00 0.00 0.00 175.10 176.19 1u2m s LYS 150 N 2.00 4.26 -0.43 2.72 1.02 -1.26 -4.87 119.74 123.18 1u2m s LYS 150 Ca 0.12 2.34 -0.11 0.00 0.02 0.00 0.00 55.97 58.33 1u2m s LYS 150 Cb -0.16 -3.07 0.07 0.00 -0.52 0.00 0.00 37.83 34.15 1u2m s LYS 150 CO 0.11 -0.38 0.29 0.34 -0.92 0.00 0.00 175.35 174.79 1u2m s ASP 151 N 0.03 5.79 -0.01 2.83 -1.08 -1.26 -1.15 116.67 121.82 1u2m s ASP 151 Ca 0.55 -1.37 0.10 0.00 -0.52 0.00 0.00 52.55 51.31 1u2m s ASP 151 Cb -0.42 -2.05 0.32 0.00 -1.46 0.00 0.00 42.92 39.31 1u2m s ASP 151 CO 0.50 -0.54 1.24 2.30 0.52 0.00 0.00 175.17 179.18 1u2m n ILE 152 N 5.01 0.55 -0.18 4.11 -5.35 -0.35 -4.50 119.36 118.65 1u2m n ILE 152 Ca -0.11 -0.49 -0.04 0.00 -0.27 0.00 0.00 62.75 61.85 1u2m n ILE 152 Cb 0.44 0.17 0.03 0.00 -1.74 0.00 0.00 39.64 38.53 1u2m n ILE 152 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1u2m h THR 153 N 2.02 0.28 -0.46 7.28 2.02 -1.93 0.25 112.91 122.37 1u2m h THR 153 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1u2m h THR 153 Cb 0.54 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1u2m h THR 153 CO 0.02 0.00 0.20 0.00 0.37 0.00 0.00 175.52 176.12 1u2m h ALA 154 N 1.22 0.60 -0.38 6.16 0.00 -1.98 -1.14 119.26 123.74 1u2m h ALA 154 Ca 0.25 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1u2m h ALA 154 Cb 0.50 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1u2m h ALA 154 CO -0.62 0.18 0.15 -0.44 0.00 0.00 0.00 179.25 178.52 1u2m h ASP 155 N 0.60 0.48 -0.23 0.00 3.32 -1.66 -2.92 116.42 116.01 1u2m h ASP 155 Ca 0.16 -0.05 -0.17 0.00 0.02 0.00 0.00 57.03 56.99 1u2m h ASP 155 Cb 0.16 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1u2m h ASP 155 CO -0.02 0.44 -0.52 0.58 -1.72 0.00 0.00 179.24 178.01 1u2m h VAL 156 N 0.54 1.30 -0.10 -1.35 2.07 -0.42 -3.18 116.25 115.11 1u2m h VAL 156 Ca 0.13 -1.72 0.04 0.00 0.82 0.00 0.00 66.70 65.97 1u2m h VAL 156 Cb 0.11 1.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1u2m h VAL 156 CO -0.01 0.55 -0.21 0.25 0.02 0.00 0.00 177.57 178.17 1u2m h LEU 157 N 0.49 -0.63 -2.04 2.57 5.85 -1.05 -0.86 115.31 119.65 1u2m h LEU 157 Ca 0.00 0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.94 1u2m h LEU 157 Cb 1.13 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 1u2m h LEU 157 CO 0.11 -0.26 0.38 0.11 -0.34 0.00 0.00 178.44 178.44 1u2m h LYS 158 N -0.28 0.00 -0.00 1.25 1.57 -1.57 -1.29 116.57 116.25 1u2m h LYS 158 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1u2m h LYS 158 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1u2m h LYS 158 CO -0.26 0.00 -0.54 1.04 -0.57 0.00 0.00 179.45 179.12 1u2m n GLN 159 N -3.96 0.09 -1.93 3.15 1.13 -0.37 -4.90 117.38 110.59 1u2m n GLN 159 Ca 0.07 -0.06 -0.42 0.00 -1.94 0.00 0.00 57.00 54.66 1u2m n GLN 159 Cb 0.57 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.39 1u2m n GLN 159 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1u2m s VAL 160 N -2.95 2.62 -2.92 5.09 1.01 -0.49 -4.73 120.40 118.03 1u2m s VAL 160 Ca 0.12 0.43 0.23 0.00 0.00 0.00 0.00 61.98 62.77 1u2m s VAL 160 Cb 0.17 -3.28 0.19 0.00 0.00 0.00 0.00 36.38 33.46 1u2m s VAL 160 CO 0.70 0.03 1.24 0.29 0.00 0.00 0.00 175.10 177.36