#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o42 h ARG 4 N 0.00 -0.34 -0.72 4.33 2.43 -2.02 -1.50 114.38 116.55 2o42 h ARG 4 Ca 0.00 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2o42 h ARG 4 Cb 0.00 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2o42 h ARG 4 CO 0.00 -0.23 0.32 1.25 -1.51 0.00 0.00 179.97 179.81 2o42 h LEU 5 N -0.36 0.95 -0.41 3.80 5.85 -1.96 -2.03 115.31 121.14 2o42 h LEU 5 Ca 0.04 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 2o42 h LEU 5 Cb 0.40 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2o42 h LEU 5 CO -0.14 0.82 -0.08 0.50 -0.34 0.00 0.00 178.44 179.20 2o42 h LYS 6 N 1.03 0.78 -0.42 1.25 3.64 -1.87 -0.86 116.57 120.13 2o42 h LYS 6 Ca 0.25 -0.29 0.06 0.00 -1.27 0.00 0.00 60.65 59.40 2o42 h LYS 6 Cb 0.14 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 2o42 h LYS 6 CO -0.03 0.90 0.11 1.15 -2.27 0.00 0.00 179.45 179.32 2o42 h THR 7 N 0.61 0.82 -0.39 1.00 2.02 -0.88 -1.11 112.91 114.98 2o42 h THR 7 Ca 0.11 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 2o42 h THR 7 Cb 0.60 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 2o42 h THR 7 CO 0.04 0.05 0.06 0.00 0.37 0.00 0.00 175.52 176.03 2o42 h ALA 8 N 1.30 0.52 -0.33 6.16 0.00 -1.17 -1.74 119.26 124.00 2o42 h ALA 8 Ca 0.20 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2o42 h ALA 8 Cb 0.22 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2o42 h ALA 8 CO -0.24 0.23 0.09 0.28 0.00 0.00 0.00 179.25 179.62 2o42 h VAL 9 N 0.49 0.87 0.13 0.00 2.07 -0.78 0.76 116.25 119.79 2o42 h VAL 9 Ca 0.12 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.58 2o42 h VAL 9 Cb 0.38 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2o42 h VAL 9 CO 0.01 0.04 -0.23 1.88 0.02 0.00 0.00 177.57 179.29 2o42 h TYR 10 N 0.22 -0.61 -0.67 1.57 -1.99 -1.04 0.16 116.97 114.61 2o42 h TYR 10 Ca 0.15 0.01 0.12 0.00 2.00 0.00 0.00 58.73 61.01 2o42 h TYR 10 Cb 0.14 0.25 -0.04 0.00 2.00 0.00 0.00 36.73 39.09 2o42 h TYR 10 CO -0.16 -0.33 0.45 -0.44 -0.00 0.00 0.00 178.16 177.68 2o42 h ASP 11 N -0.43 0.37 0.48 3.88 5.19 -0.86 0.40 116.42 125.45 2o42 h ASP 11 Ca 0.02 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.42 2o42 h ASP 11 Cb 0.45 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.90 2o42 h ASP 11 CO -0.12 0.21 -0.23 0.22 -3.12 0.00 0.00 179.24 176.20 2o42 h TYR 12 N 0.40 -0.60 -0.75 4.55 3.20 0.10 -0.70 116.97 123.18 2o42 h TYR 12 Ca 0.32 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.29 2o42 h TYR 12 Cb 0.69 0.20 -0.08 0.00 1.54 0.00 0.00 36.73 39.08 2o42 h TYR 12 CO -0.00 -0.37 0.35 -0.07 -1.64 0.00 0.00 178.16 176.43 2o42 h LEU 13 N -1.13 0.42 0.00 2.82 3.38 -0.25 0.10 115.31 120.66 2o42 h LEU 13 Ca -0.07 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2o42 h LEU 13 Cb 0.50 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2o42 h LEU 13 CO 0.11 0.21 0.00 0.59 0.09 0.00 0.00 178.44 179.44 2o42 n ASN 14 N -4.90 0.00 -4.09 -0.43 3.02 0.14 -4.86 115.26 104.13 2o42 n ASN 14 Ca 0.13 -0.89 -0.46 0.00 -0.03 0.00 0.00 54.58 53.32 2o42 n ASN 14 Cb 0.34 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.52 2o42 n ASN 14 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2o42 n ASP 15 N -0.88 -3.87 -4.76 6.41 2.03 0.35 -4.89 116.55 110.94 2o42 n ASP 15 Ca 0.13 -1.30 -0.40 0.00 0.52 0.00 0.00 54.79 53.74 2o42 n ASP 15 Cb 0.06 -1.69 -0.04 0.00 -0.72 0.00 0.00 41.12 38.73 2o42 n ASP 15 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2o42 s VAL 16 N -3.58 3.43 -0.40 5.18 1.01 -0.30 -4.94 120.40 120.80 2o42 s VAL 16 Ca 0.47 1.44 -0.33 0.00 0.00 0.00 0.00 61.98 63.56 2o42 s VAL 16 Cb -0.26 -3.92 -0.11 0.00 0.00 0.00 0.00 36.38 32.09 2o42 s VAL 16 CO 0.97 0.34 2.26 0.47 0.00 0.00 0.00 175.10 179.14 2o42 n ASP 17 N 1.18 2.09 -4.57 3.32 10.43 -1.26 -4.82 116.55 122.92 2o42 n ASP 17 Ca -0.01 0.27 -0.17 0.00 2.57 0.00 0.00 54.79 57.45 2o42 n ASP 17 Cb 0.45 -1.29 -0.09 0.00 1.84 0.00 0.00 41.12 42.02 2o42 n ASP 17 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 2o42 s ILE 18 N 8.07 3.13 0.00 0.53 1.10 -1.26 -1.54 121.20 131.23 2o42 s ILE 18 Ca 1.10 -0.17 0.00 0.00 -0.51 0.00 0.00 60.65 61.07 2o42 s ILE 18 Cb -0.77 -3.71 0.00 0.00 0.15 0.00 0.00 42.46 38.12 2o42 s ILE 18 CO 0.45 -0.24 0.00 0.35 -2.11 0.00 0.00 174.94 173.39 2o42 n THR 19 N 8.70 0.00 -0.98 4.00 -2.24 -1.26 -4.86 114.28 117.64 2o42 n THR 19 Ca 0.44 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.24 2o42 n THR 19 Cb 0.45 0.00 0.35 0.00 -2.10 0.00 0.00 70.33 69.04 2o42 n THR 19 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2o42 n GLU 20 N -0.60 4.21 -3.56 -0.78 2.13 -0.59 -4.95 120.64 116.50 2o42 n GLU 20 Ca 0.00 -3.11 -0.37 0.00 0.66 0.00 0.00 57.16 54.34 2o42 n GLU 20 Cb 0.00 -2.19 -0.09 0.00 0.27 0.00 0.00 31.44 29.43 2o42 n GLU 20 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2o42 h THR 22 N 5.03 0.00 -4.20 0.00 1.35 -1.95 -3.50 112.91 109.65 2o42 h THR 22 Ca -0.37 -0.98 -0.69 0.00 -0.55 0.00 0.00 66.41 63.81 2o42 h THR 22 Cb 1.17 1.98 -0.30 0.00 -1.73 0.00 0.00 68.15 69.26 2o42 h THR 22 CO 0.68 0.00 -0.88 -1.61 -0.25 0.00 0.00 175.52 173.46 2o42 s GLU 23 N -3.23 2.42 0.00 4.72 0.41 -1.26 -5.09 118.70 116.67 2o42 s GLU 23 Ca 0.07 -0.90 0.00 0.00 -0.41 0.00 0.00 54.97 53.73 2o42 s GLU 23 Cb 0.05 -2.14 0.00 0.00 -1.78 0.00 0.00 34.13 30.26 2o42 s GLU 23 CO 0.66 0.45 0.00 -3.47 -0.49 0.00 0.00 175.26 172.41 2o42 n ASP 25 N 2.76 0.00 -0.09 -0.19 -0.08 -1.26 -1.45 116.55 116.25 2o42 n ASP 25 Ca -0.17 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 52.96 2o42 n ASP 25 Cb 0.52 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.88 2o42 n ASP 25 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2o42 h LEU 26 N 0.00 0.00 -0.89 -2.67 5.85 -1.98 -2.97 115.31 112.65 2o42 h LEU 26 Ca 0.00 -0.55 0.17 0.00 0.84 0.00 0.00 57.88 58.34 2o42 h LEU 26 Cb 0.00 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 40.86 2o42 h LEU 26 CO 0.00 1.17 -0.25 0.25 -0.34 0.00 0.00 178.44 179.27 2o42 h LEU 27 N -1.00 -0.91 -0.07 2.25 7.12 -1.58 0.97 115.31 122.10 2o42 h LEU 27 Ca -0.17 0.27 0.04 0.00 0.13 0.00 0.00 57.88 58.15 2o42 h LEU 27 Cb 1.01 0.58 -0.05 0.00 -0.53 0.00 0.00 40.66 41.66 2o42 h LEU 27 CO -0.10 -0.30 -0.22 0.00 -0.13 0.00 0.00 178.44 177.69 2o42 h GLN 29 N -0.31 0.00 -0.13 0.00 4.20 -0.89 -2.99 115.11 114.99 2o42 h GLN 29 Ca 0.08 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 2o42 h GLN 29 Cb 0.43 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 2o42 h GLN 29 CO -0.25 0.34 -0.02 1.25 -0.67 0.00 0.00 178.83 179.48 2o42 h LEU 30 N 0.00 0.25 -0.62 1.46 5.85 0.17 -2.53 115.31 119.88 2o42 h LEU 30 Ca -0.00 -0.35 -0.11 0.00 0.84 0.00 0.00 57.88 58.25 2o42 h LEU 30 Cb 0.94 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 2o42 h LEU 30 CO 0.04 0.54 -0.53 0.77 -0.34 0.00 0.00 178.44 178.93 2o42 h SER 31 N -0.05 0.00 -0.64 1.25 4.64 -1.31 -1.04 113.55 116.39 2o42 h SER 31 Ca 0.03 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 2o42 h SER 31 Cb 0.43 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 2o42 h SER 31 CO 0.01 0.53 0.23 0.78 -0.87 0.00 0.00 176.83 177.52 2o42 h ASN 32 N 0.00 0.93 0.31 4.97 2.35 -1.54 0.42 115.58 123.02 2o42 h ASN 32 Ca -0.01 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 2o42 h ASN 32 Cb 1.13 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.27 2o42 h ASN 32 CO 0.07 0.85 -0.15 0.00 -1.65 0.00 0.00 177.43 176.55 2o42 h ASP 35 N 0.91 0.50 -0.38 0.00 5.19 -0.86 0.28 116.42 122.06 2o42 h ASP 35 Ca 0.46 0.05 -0.12 0.00 -0.62 0.00 0.00 57.03 56.80 2o42 h ASP 35 Cb 0.44 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 2o42 h ASP 35 CO -0.26 0.30 -0.24 0.15 -3.12 0.00 0.00 179.24 176.06 2o42 h PHE 36 N 0.63 0.97 -0.65 4.55 3.57 -1.22 -2.24 116.94 122.56 2o42 h PHE 36 Ca 0.34 -0.26 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2o42 h PHE 36 Cb 0.31 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 2o42 h PHE 36 CO -0.10 1.03 0.38 0.82 -2.23 0.00 0.00 178.31 178.21 2o42 h ILE 37 N 0.63 1.19 -0.98 1.41 2.04 -0.76 0.27 117.51 121.31 2o42 h ILE 37 Ca 0.08 -0.44 0.08 0.00 1.00 0.00 0.00 64.86 65.58 2o42 h ILE 37 Cb 0.81 0.31 -0.07 0.00 -0.74 0.00 0.00 36.82 37.13 2o42 h ILE 37 CO 0.07 0.20 0.62 -1.13 0.00 0.00 0.00 178.15 177.91 2o42 h ASN 38 N 0.88 0.97 -0.03 1.72 -1.24 -0.32 0.42 115.58 117.99 2o42 h ASN 38 Ca 0.23 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.26 2o42 h ASN 38 Cb -0.01 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 38.85 2o42 h ASN 38 CO -0.04 0.60 0.00 -0.08 -1.29 0.00 0.00 177.43 176.62 2o42 h GLU 39 N 1.09 0.04 -0.02 6.67 4.81 -0.87 -3.24 114.58 123.07 2o42 h GLU 39 Ca 0.44 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.46 2o42 h GLU 39 Cb 0.25 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2o42 h GLU 39 CO -0.20 0.29 -0.84 1.15 -0.73 0.00 0.00 179.01 178.68 2o42 h THR 40 N -0.21 1.43 -0.61 0.32 2.02 -0.03 -3.18 112.91 112.66 2o42 h THR 40 Ca 0.01 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.78 2o42 h THR 40 Cb 0.27 2.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 2o42 h THR 40 CO 0.00 0.71 0.00 -1.22 0.37 0.00 0.00 175.52 175.38 2o42 n TYR 41 N -3.74 1.19 -0.26 3.16 4.02 0.14 -4.71 117.16 116.96 2o42 n TYR 41 Ca -0.05 -0.50 0.00 0.00 -0.01 0.00 0.00 57.90 57.34 2o42 n TYR 41 Cb 0.78 -0.15 0.13 0.00 -0.02 0.00 0.00 39.34 40.07 2o42 n TYR 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2o42 h ALA 42 N 4.07 1.02 -0.68 -0.72 0.00 -1.57 0.13 119.26 121.51 2o42 h ALA 42 Ca 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2o42 h ALA 42 Cb 1.18 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2o42 h ALA 42 CO 0.14 0.07 0.15 0.87 0.00 0.00 0.00 179.25 180.49 2o42 h LYS 43 N 0.73 1.08 -0.68 0.00 1.57 -1.88 -1.53 116.57 115.87 2o42 h LYS 43 Ca 0.34 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 2o42 h LYS 43 Cb 0.26 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 2o42 h LYS 43 CO -0.21 0.96 0.18 -0.91 -0.57 0.00 0.00 179.45 178.91 2o42 h ASN 44 N 1.03 0.99 1.23 0.86 2.35 -1.16 -2.44 115.58 118.43 2o42 h ASN 44 Ca 0.21 -0.19 -0.12 0.00 -0.55 0.00 0.00 56.30 55.65 2o42 h ASN 44 Cb 0.38 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 2o42 h ASN 44 CO 0.00 0.94 -0.57 1.88 -1.65 0.00 0.00 177.43 178.04 2o42 h TYR 45 N 1.01 0.00 -0.76 1.19 0.05 -0.99 -2.65 116.97 114.82 2o42 h TYR 45 Ca 0.22 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.98 2o42 h TYR 45 Cb 0.32 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.03 2o42 h TYR 45 CO 0.02 0.57 0.39 -0.44 -1.05 0.00 0.00 178.16 177.66 2o42 h ASP 46 N 0.00 0.98 -0.93 3.88 3.32 -0.95 -0.06 116.42 122.66 2o42 h ASP 46 Ca -0.01 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 2o42 h ASP 46 Cb 1.34 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.60 2o42 h ASP 46 CO 0.07 0.81 0.55 0.74 -1.72 0.00 0.00 179.24 179.69 2o42 h THR 47 N 1.07 1.26 -0.09 0.35 2.02 -1.28 -2.84 112.91 113.39 2o42 h THR 47 Ca 0.27 -0.58 -0.20 0.00 0.77 0.00 0.00 66.41 66.67 2o42 h THR 47 Cb 0.08 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.45 2o42 h THR 47 CO -0.04 0.27 -0.76 -0.07 0.37 0.00 0.00 175.52 175.29 2o42 h LEU 48 N 1.28 0.61 -1.19 2.58 3.38 -1.00 -2.50 115.31 118.48 2o42 h LEU 48 Ca 0.33 -0.41 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 2o42 h LEU 48 Cb -0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2o42 h LEU 48 CO -0.06 1.17 -0.39 1.88 0.09 0.00 0.00 178.44 181.13 2o42 h TYR 49 N 0.34 0.04 -0.40 1.13 0.05 -1.04 -3.07 116.97 114.03 2o42 h TYR 49 Ca -0.04 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.69 2o42 h TYR 49 Cb 1.36 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 39.07 2o42 h TYR 49 CO 0.06 0.42 0.09 -0.44 -1.05 0.00 0.00 178.16 177.23 2o42 h ASP 50 N 0.03 0.61 -0.11 3.88 3.32 -1.20 0.05 116.42 123.00 2o42 h ASP 50 Ca 0.00 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 56.75 2o42 h ASP 50 Cb 0.70 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 2o42 h ASP 50 CO 0.05 0.69 0.08 2.30 -1.72 0.00 0.00 179.24 180.64 2o42 n ILE 51 N -4.56 1.73 0.00 0.35 -5.35 -1.02 -4.73 119.36 105.79 2o42 n ILE 51 Ca -0.01 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.97 2o42 n ILE 51 Cb 0.21 -1.22 0.00 0.00 -1.74 0.00 0.00 39.64 36.89 2o42 n ILE 51 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2o42 n GLU 53 N 0.81 0.00 0.04 6.28 2.13 0.00 -4.73 120.64 125.17 2o42 n GLU 53 Ca 0.07 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.77 2o42 n GLU 53 Cb 0.57 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.22 2o42 n GLU 53 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2o42 h ARG 54 N 0.00 -0.04 -0.43 5.31 2.43 -1.87 -0.20 114.38 119.58 2o42 h ARG 54 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2o42 h ARG 54 Cb 0.00 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 2o42 h ARG 54 CO 0.00 -0.03 0.27 -0.44 -1.51 0.00 0.00 179.97 178.26 2o42 h ASP 55 N -0.04 0.51 0.22 -3.80 3.45 -1.94 -0.69 116.42 114.13 2o42 h ASP 55 Ca 0.02 -0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.44 2o42 h ASP 55 Cb 0.06 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.71 2o42 h ASP 55 CO -0.04 0.39 -0.10 0.40 -1.57 0.00 0.00 179.24 178.32 2o42 h ILE 56 N 0.59 0.64 0.00 0.35 2.04 -1.80 0.27 117.51 119.60 2o42 h ILE 56 Ca 0.16 -0.99 -0.07 0.00 1.00 0.00 0.00 64.86 64.96 2o42 h ILE 56 Cb -0.03 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2o42 h ILE 56 CO -0.03 0.16 -0.33 -0.07 0.00 0.00 0.00 178.15 177.88 2o42 h LEU 57 N -0.92 0.00 -0.41 1.44 3.38 -1.00 -0.45 115.31 117.36 2o42 h LEU 57 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2o42 h LEU 57 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2o42 h LEU 57 CO 0.05 0.33 -0.10 -1.54 0.09 0.00 0.00 178.44 177.26 2o42 n SER 58 N -3.78 0.74 -3.81 -0.43 3.41 -0.27 -4.93 113.62 104.55 2o42 n SER 58 Ca -0.01 -0.87 -0.27 0.00 -0.26 0.00 0.00 58.87 57.46 2o42 n SER 58 Cb 0.42 -0.01 0.04 0.00 -0.26 0.00 0.00 64.21 64.40 2o42 n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2o42 n TYR 59 N -0.67 -2.32 -2.16 7.33 9.36 -0.18 -4.88 117.16 123.64 2o42 n TYR 59 Ca 0.16 0.91 -0.42 0.00 3.32 0.00 0.00 57.90 61.87 2o42 n TYR 59 Cb 0.29 -4.27 0.00 0.00 -0.63 0.00 0.00 39.34 34.73 2o42 n TYR 59 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2o42 n ASN 60 N -2.92 4.57 -0.13 2.98 2.85 0.90 -4.81 115.26 118.70 2o42 n ASN 60 Ca -0.04 -2.96 -0.05 0.00 -0.11 0.00 0.00 54.58 51.42 2o42 n ASN 60 Cb 0.57 -1.59 0.02 0.00 1.24 0.00 0.00 39.78 40.01 2o42 n ASN 60 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 2o42 h ILE 61 N 4.13 0.44 -0.66 -1.44 1.08 -1.90 -0.05 117.51 119.11 2o42 h ILE 61 Ca 0.47 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 65.04 2o42 h ILE 61 Cb 0.68 0.44 -0.12 0.00 -3.07 0.00 0.00 36.82 34.75 2o42 h ILE 61 CO 1.68 0.00 -0.40 0.58 -0.69 0.00 0.00 178.15 179.33 2o42 h VAL 62 N -0.08 0.10 -0.34 1.67 2.07 -1.97 -0.01 116.25 117.69 2o42 h VAL 62 Ca 0.21 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.80 2o42 h VAL 62 Cb 0.41 0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.22 2o42 h VAL 62 CO -0.50 0.00 -0.05 0.78 0.02 0.00 0.00 177.57 177.83 2o42 h ASN 63 N -0.16 -0.24 -0.90 0.57 4.21 -1.43 -1.94 115.58 115.69 2o42 h ASN 63 Ca 0.22 0.09 -0.01 0.00 1.21 0.00 0.00 56.30 57.82 2o42 h ASN 63 Cb 0.56 0.18 -0.04 0.00 -1.12 0.00 0.00 38.32 37.90 2o42 h ASN 63 CO -0.74 -0.08 0.53 0.40 -1.29 0.00 0.00 177.43 176.25 2o42 h ILE 64 N 0.04 1.25 -0.49 2.81 2.04 -0.55 -2.66 117.51 119.96 2o42 h ILE 64 Ca 0.16 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 2o42 h ILE 64 Cb 0.24 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 2o42 h ILE 64 CO -0.32 0.27 0.26 0.11 0.00 0.00 0.00 178.15 178.47 2o42 h LYS 65 N 1.25 0.68 0.00 2.37 1.57 -0.25 -1.98 116.57 120.20 2o42 h LYS 65 Ca 0.32 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2o42 h LYS 65 Cb -0.03 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.15 2o42 h LYS 65 CO -0.06 0.54 -0.30 0.27 -0.57 0.00 0.00 179.45 179.34 2o42 n ASN 66 N -4.66 0.34 0.45 0.86 0.23 -1.02 -1.87 115.26 109.59 2o42 n ASN 66 Ca 0.02 0.11 -0.18 0.00 -0.53 0.00 0.00 54.58 54.00 2o42 n ASN 66 Cb 0.09 -0.10 -0.09 0.00 -2.08 0.00 0.00 39.78 37.61 2o42 n ASN 66 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2o42 h THR 67 N 0.00 0.06 -0.66 5.53 2.02 -1.11 -2.64 112.91 116.11 2o42 h THR 67 Ca 0.00 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 2o42 h THR 67 Cb 0.53 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 2o42 h THR 67 CO 0.00 0.00 0.24 -0.07 0.37 0.00 0.00 175.52 176.06 2o42 h LEU 68 N -1.26 0.93 -0.94 2.58 3.38 -1.33 -1.09 115.31 117.58 2o42 h LEU 68 Ca -0.12 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.72 2o42 h LEU 68 Cb 0.89 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 2o42 h LEU 68 CO 0.19 0.87 0.60 0.74 0.09 0.00 0.00 178.44 180.93 2o42 h THR 69 N 0.94 1.11 -0.13 0.22 2.02 -1.49 -1.62 112.91 113.97 2o42 h THR 69 Ca 0.22 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 2o42 h THR 69 Cb 0.25 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 2o42 h THR 69 CO -0.01 0.21 0.06 0.15 0.37 0.00 0.00 175.52 176.29 2o42 h PHE 70 N 1.13 0.18 0.00 3.16 3.57 -0.88 -2.14 116.94 121.96 2o42 h PHE 70 Ca 0.39 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.88 2o42 h PHE 70 Cb 0.09 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.77 2o42 h PHE 70 CO -0.01 0.23 0.00 0.00 -2.23 0.00 0.00 178.31 176.30 2o42 n ALA 71 N -2.19 1.24 0.96 2.41 0.00 -0.52 -1.96 120.51 120.44 2o42 n ALA 71 Ca -0.05 -0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.49 2o42 n ALA 71 Cb 0.09 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 2o42 n ALA 71 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2o42 n LEU 72 N -1.55 1.89 -4.65 0.00 4.77 -0.68 -4.83 117.00 111.94 2o42 n LEU 72 Ca 0.01 -0.74 -0.53 0.00 -0.03 0.00 0.00 56.01 54.73 2o42 n LEU 72 Cb 0.06 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 2o42 n LEU 72 CO 0.05 0.36 1.48 0.54 -1.33 0.00 0.00 177.39 178.50 2o42 n ARG 73 N -0.16 1.54 -2.90 3.23 1.74 -0.83 -1.65 116.66 117.63 2o42 n ARG 73 Ca 0.08 0.54 -0.22 0.00 -0.77 0.00 0.00 57.85 57.49 2o42 n ARG 73 Cb 0.44 -2.38 0.03 0.00 -1.02 0.00 0.00 32.46 29.52 2o42 n ARG 73 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2o42 n ASP 74 N 6.75 -6.03 -4.73 0.55 8.00 -1.26 -4.92 116.55 114.90 2o42 n ASP 74 Ca 0.28 -0.23 -0.41 0.00 0.71 0.00 0.00 54.79 55.13 2o42 n ASP 74 Cb 0.21 -4.91 -0.03 0.00 -0.02 0.00 0.00 41.12 36.37 2o42 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2o42 s ALA 75 N -3.15 3.49 0.72 2.24 0.00 -0.66 -5.04 121.76 119.37 2o42 s ALA 75 Ca 0.24 1.04 -0.11 0.00 0.00 0.00 0.00 51.96 53.13 2o42 s ALA 75 Cb -0.11 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.57 2o42 s ALA 75 CO 0.30 -0.49 1.08 -1.54 0.00 0.00 0.00 175.76 175.11 2o42 s SER 76 N 0.44 4.99 0.28 0.00 1.04 -1.26 -4.76 113.70 114.44 2o42 s SER 76 Ca 0.57 1.74 0.01 0.00 0.48 0.00 0.00 55.95 58.74 2o42 s SER 76 Cb -0.35 -2.51 0.64 0.00 0.10 0.00 0.00 66.02 63.90 2o42 s SER 76 CO 0.36 -1.70 1.69 -0.65 0.98 0.00 0.00 173.24 173.92 2o42 h PRO 77 N -0.81 0.34 -0.47 4.02 0.11 -1.96 0.26 132.00 133.49 2o42 h PRO 77 Ca -0.44 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.75 2o42 h PRO 77 Cb 1.22 -0.08 -0.10 0.00 0.11 0.00 0.00 31.00 32.16 2o42 h PRO 77 CO 0.54 0.23 -0.19 0.77 -0.21 0.00 0.00 178.00 179.14 2o42 h SER 78 N 0.35 -0.65 -0.29 -2.05 0.02 -1.97 -0.36 113.55 108.61 2o42 h SER 78 Ca 0.51 0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 61.53 2o42 h SER 78 Cb 0.94 0.37 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 2o42 h SER 78 CO -0.53 -0.22 -0.20 0.58 -1.14 0.00 0.00 176.83 175.32 2o42 h VAL 79 N -0.08 1.30 -0.64 2.27 2.07 -1.35 0.08 116.25 119.89 2o42 h VAL 79 Ca 0.22 -1.34 0.13 0.00 0.82 0.00 0.00 66.70 66.53 2o42 h VAL 79 Cb 0.43 1.53 -0.09 0.00 -1.52 0.00 0.00 31.29 31.64 2o42 h VAL 79 CO -0.53 0.43 0.15 0.11 0.02 0.00 0.00 177.57 177.75 2o42 h LYS 80 N 0.39 0.27 -0.04 1.57 1.57 0.03 0.14 116.57 120.49 2o42 h LYS 80 Ca 0.06 -0.02 -0.22 0.00 -1.87 0.00 0.00 60.65 58.60 2o42 h LYS 80 Cb 0.75 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2o42 h LYS 80 CO 0.05 0.18 -0.87 -0.07 -0.57 0.00 0.00 179.45 178.17 2o42 h LEU 81 N 0.27 0.60 -0.66 2.94 4.07 -0.85 -0.40 115.31 121.29 2o42 h LEU 81 Ca 0.35 -0.44 -0.01 0.00 0.08 0.00 0.00 57.88 57.86 2o42 h LEU 81 Cb 0.53 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.06 2o42 h LEU 81 CO -0.43 1.22 0.39 0.00 -1.08 0.00 0.00 178.44 178.54 2o42 h ALA 82 N 0.75 0.84 -0.56 1.53 0.00 -0.31 -1.12 119.26 120.39 2o42 h ALA 82 Ca -0.07 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2o42 h ALA 82 Cb 1.49 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2o42 h ALA 82 CO 0.15 0.32 0.08 1.15 0.00 0.00 0.00 179.25 180.96 2o42 h THR 83 N 0.89 1.26 0.24 0.00 2.02 -0.64 -2.00 112.91 114.68 2o42 h THR 83 Ca 0.23 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.43 2o42 h THR 83 Cb -0.02 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 2o42 h THR 83 CO -0.04 0.36 -0.25 0.25 0.37 0.00 0.00 175.52 176.20 2o42 h LEU 84 N 0.83 -0.69 -1.63 2.58 5.85 -0.58 0.06 115.31 121.74 2o42 h LEU 84 Ca 0.17 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 2o42 h LEU 84 Cb 0.43 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2o42 h LEU 84 CO 0.01 -0.37 -0.12 0.71 -0.34 0.00 0.00 178.44 178.34 2o42 h THR 85 N -0.53 1.12 -0.76 1.05 1.35 -1.16 0.31 112.91 114.29 2o42 h THR 85 Ca -0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 2o42 h THR 85 Cb 0.50 1.22 -0.04 0.00 -1.73 0.00 0.00 68.15 68.10 2o42 h THR 85 CO -0.07 0.16 0.49 0.25 -0.25 0.00 0.00 175.52 176.11 2o42 h LEU 86 N 0.08 0.88 -1.10 3.87 5.85 -0.75 -2.37 115.31 121.77 2o42 h LEU 86 Ca 0.02 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 2o42 h LEU 86 Cb 0.27 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2o42 h LEU 86 CO 0.02 0.65 -0.42 0.25 -0.34 0.00 0.00 178.44 178.60 2o42 h LEU 87 N 1.03 0.00 -0.12 2.25 5.85 0.15 -2.48 115.31 122.00 2o42 h LEU 87 Ca 0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.00 2o42 h LEU 87 Cb -0.10 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2o42 h LEU 87 CO -0.06 0.42 0.07 0.00 -0.34 0.00 0.00 178.44 178.52 2o42 h ALA 88 N 1.58 0.14 -0.27 1.25 0.00 -0.49 -1.02 119.26 120.45 2o42 h ALA 88 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2o42 h ALA 88 Cb 0.81 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2o42 h ALA 88 CO 0.05 -0.38 0.14 1.03 0.00 0.00 0.00 179.25 180.09 2o42 h SER 89 N 0.14 0.35 -0.41 0.00 0.87 -1.24 -2.15 113.55 111.11 2o42 h SER 89 Ca 0.04 -0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.53 2o42 h SER 89 Cb -0.01 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 2o42 h SER 89 CO -0.02 0.36 0.19 0.58 -0.53 0.00 0.00 176.83 177.41 2o42 h VAL 90 N 0.31 0.96 -0.30 2.23 2.07 -1.36 -1.40 116.25 118.75 2o42 h VAL 90 Ca 0.09 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2o42 h VAL 90 Cb 0.10 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2o42 h VAL 90 CO -0.01 0.07 0.19 0.40 0.02 0.00 0.00 177.57 178.24 2o42 h ILE 91 N 0.39 1.08 -0.15 4.57 2.04 -0.96 0.39 117.51 124.88 2o42 h ILE 91 Ca 0.18 -0.17 -0.13 0.00 1.00 0.00 0.00 64.86 65.73 2o42 h ILE 91 Cb 0.10 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2o42 h ILE 91 CO -0.14 0.08 -0.47 0.11 0.00 0.00 0.00 178.15 177.74 2o42 h LYS 92 N 0.41 0.38 0.18 2.37 1.57 -0.70 -1.32 116.57 119.46 2o42 h LYS 92 Ca 0.11 -0.21 -0.24 0.00 -1.87 0.00 0.00 60.65 58.44 2o42 h LYS 92 Cb -0.03 0.01 0.03 0.00 0.08 0.00 0.00 32.23 32.32 2o42 h LYS 92 CO -0.02 0.78 -1.06 0.87 -0.57 0.00 0.00 179.45 179.44 2o42 h LYS 93 N 0.31 0.39 -0.42 3.15 1.57 -0.14 -3.22 116.57 118.21 2o42 h LYS 93 Ca 0.02 -0.66 0.02 0.00 -1.87 0.00 0.00 60.65 58.16 2o42 h LYS 93 Cb 0.95 0.25 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 2o42 h LYS 93 CO 0.08 1.32 0.28 -0.07 -0.57 0.00 0.00 179.45 180.49 2o42 h LEU 94 N -0.19 0.44 -2.00 2.94 3.38 -0.31 -1.62 115.31 117.96 2o42 h LEU 94 Ca -0.19 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2o42 h LEU 94 Cb 1.83 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.48 2o42 h LEU 94 CO 0.20 0.31 0.00 0.78 0.09 0.00 0.00 178.44 179.82 2o42 h ASN 95 N 0.52 0.00 0.66 -0.43 4.21 -1.24 -1.23 115.58 118.07 2o42 h ASN 95 Ca 0.16 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.51 2o42 h ASN 95 Cb 0.02 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.20 2o42 h ASN 95 CO -0.04 0.00 -0.76 0.11 -1.29 0.00 0.00 177.43 175.45 2o42 h LYS 96 N 0.00 0.07 0.00 0.81 1.57 -1.36 -3.37 116.57 114.29 2o42 h LYS 96 Ca 0.00 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 2o42 h LYS 96 Cb 0.05 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2o42 h LYS 96 CO 0.00 0.79 -0.70 0.82 -0.57 0.00 0.00 179.45 179.80 2o42 h ILE 97 N 0.04 0.46 -4.13 1.86 5.03 -1.37 -3.49 117.51 115.92 2o42 h ILE 97 Ca -0.02 -1.52 -0.15 0.00 -0.12 0.00 0.00 64.86 63.04 2o42 h ILE 97 Cb 1.34 1.05 -0.15 0.00 -3.03 0.00 0.00 36.82 36.02 2o42 h ILE 97 CO 0.10 0.16 -0.68 -1.58 -0.68 0.00 0.00 178.15 175.47 2o42 s GLN 98 N -2.21 0.70 -0.09 2.37 0.74 -0.87 -5.11 119.66 115.19 2o42 s GLN 98 Ca -0.19 -1.27 -0.30 0.00 0.05 0.00 0.00 55.36 53.66 2o42 s GLN 98 Cb 0.03 0.09 -0.04 0.00 1.10 0.00 0.00 33.01 34.19 2o42 s GLN 98 CO 0.36 -0.09 1.44 -1.58 -0.55 0.00 0.00 175.29 174.87 2o42 s HIS 99 N -3.84 2.51 -0.13 1.67 5.65 -1.26 -3.62 115.29 116.27 2o42 s HIS 99 Ca 0.10 0.65 0.01 0.00 0.25 0.00 0.00 55.06 56.07 2o42 s HIS 99 Cb 0.07 -3.70 0.02 0.00 -1.18 0.00 0.00 32.58 27.79 2o42 s HIS 99 CO -0.08 -2.69 -0.14 0.95 -0.65 0.00 0.00 174.74 172.13 2o42 s THR 100 N 3.48 1.50 0.69 0.89 -4.23 -1.26 -5.02 115.64 111.70 2o42 s THR 100 Ca 0.64 -0.62 -0.08 0.00 -1.18 0.00 0.00 61.69 60.45 2o42 s THR 100 Cb -0.28 -1.40 0.04 0.00 1.34 0.00 0.00 72.50 72.20 2o42 s THR 100 CO 0.23 0.44 1.02 -1.81 -0.54 0.00 0.00 174.62 173.97 2o42 s ASP 101 N 1.24 5.11 0.47 3.99 1.01 -1.26 -4.88 116.67 122.35 2o42 s ASP 101 Ca -0.01 0.71 0.25 0.00 0.71 0.00 0.00 52.55 54.21 2o42 s ASP 101 Cb -0.14 -1.46 1.10 0.00 1.01 0.00 0.00 42.92 43.43 2o42 s ASP 101 CO -0.06 -1.44 1.91 0.00 0.21 0.00 0.00 175.17 175.79 2o42 h ALA 102 N -0.56 1.11 0.00 5.23 0.00 -1.90 -3.40 119.26 119.74 2o42 h ALA 102 Ca -0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 2o42 h ALA 102 Cb 1.29 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2o42 h ALA 102 CO 0.62 0.25 0.24 0.00 0.00 0.00 0.00 179.25 180.36 2o42 n ALA 103 N -2.25 1.58 -0.05 0.00 0.00 -1.26 -3.46 120.51 115.08 2o42 n ALA 103 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2o42 n ALA 103 Cb 0.36 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.71 2o42 n ALA 103 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2o42 n PHE 105 N 2.53 0.00 -0.19 0.00 3.01 -1.26 -4.82 117.46 116.72 2o42 n PHE 105 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 2o42 n PHE 105 Cb 0.07 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 39.64 2o42 n PHE 105 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2o42 h SER 106 N 0.00 -0.02 -0.12 4.37 0.87 -1.95 0.70 113.55 117.40 2o42 h SER 106 Ca 0.00 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2o42 h SER 106 Cb 0.00 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2o42 h SER 106 CO 0.00 0.00 0.07 -0.08 -0.53 0.00 0.00 176.83 176.29 2o42 h GLU 107 N 0.25 0.14 -0.25 2.24 4.57 -1.93 0.12 114.58 119.72 2o42 h GLU 107 Ca 0.31 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.49 2o42 h GLU 107 Cb 0.46 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 2o42 h GLU 107 CO -0.40 0.09 0.16 0.28 -1.18 0.00 0.00 179.01 177.95 2o42 h VAL 108 N 0.14 1.05 -0.92 0.32 2.07 -1.76 -2.64 116.25 114.52 2o42 h VAL 108 Ca 0.05 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 2o42 h VAL 108 Cb -0.00 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2o42 h VAL 108 CO -0.02 0.06 0.57 0.40 0.02 0.00 0.00 177.57 178.59 2o42 h ILE 109 N 0.32 1.25 -0.78 4.57 2.04 -0.56 0.12 117.51 124.46 2o42 h ILE 109 Ca 0.09 -0.52 0.15 0.00 1.00 0.00 0.00 64.86 65.58 2o42 h ILE 109 Cb -0.03 -0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 35.94 2o42 h ILE 109 CO -0.03 0.26 0.52 0.44 0.00 0.00 0.00 178.15 179.33 2o42 h ASP 110 N 1.26 0.44 -0.12 1.72 3.32 -0.48 0.65 116.42 123.21 2o42 h ASP 110 Ca 0.33 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.37 2o42 h ASP 110 Cb -0.08 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 2o42 h ASP 110 CO -0.06 0.23 -0.08 1.23 -1.72 0.00 0.00 179.24 178.84 2o42 h GLY 111 N 0.47 0.28 2.00 2.75 0.00 -0.47 -2.57 103.07 105.54 2o42 h GLY 111 Ca 0.38 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 2o42 h GLY 111 CO -0.13 0.24 -0.04 -2.22 0.00 0.00 0.00 176.54 174.38 2o42 h ILE 112 N -0.11 0.66 -0.02 2.60 2.04 0.02 -3.12 117.51 119.58 2o42 h ILE 112 Ca 0.02 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2o42 h ILE 112 Cb 0.56 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2o42 h ILE 112 CO 0.02 0.04 -0.08 0.52 0.00 0.00 0.00 178.15 178.65 2o42 n VAL 113 N -3.94 0.00 -1.00 1.67 0.31 0.08 -4.86 118.33 110.59 2o42 n VAL 113 Ca -0.03 -0.46 -0.31 0.00 -0.01 0.00 0.00 64.34 63.54 2o42 n VAL 113 Cb 0.13 1.27 0.13 0.00 -0.91 0.00 0.00 33.84 34.46 2o42 n VAL 113 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2o42 s ALA 114 N -1.37 1.75 -1.15 3.52 0.00 -0.98 -3.79 121.76 119.74 2o42 s ALA 114 Ca 0.16 0.34 -0.18 0.00 0.00 0.00 0.00 51.96 52.28 2o42 s ALA 114 Cb 0.12 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 2o42 s ALA 114 CO 0.23 -2.31 0.78 0.39 0.00 0.00 0.00 175.76 174.85 2o42 n GLU 115 N -3.90 -1.57 0.14 0.00 -0.58 -1.26 -4.69 120.64 108.77 2o42 n GLU 115 Ca 0.10 0.49 0.01 0.00 -0.42 0.00 0.00 57.16 57.34 2o42 n GLU 115 Cb 0.53 -4.33 0.33 0.00 -0.57 0.00 0.00 31.44 27.40 2o42 n GLU 115 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2o42 h GLU 116 N -1.83 0.13 -0.30 3.49 4.81 -1.97 -0.72 114.58 118.20 2o42 h GLU 116 Ca -0.66 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.45 2o42 h GLU 116 Cb 1.36 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 2o42 h GLU 116 CO 0.49 0.45 -0.09 1.96 -0.73 0.00 0.00 179.01 181.09 2o42 h GLN 117 N 0.12 0.59 -0.72 1.92 7.50 -1.92 0.21 115.11 122.80 2o42 h GLN 117 Ca 0.02 -0.23 0.03 0.00 0.50 0.00 0.00 58.65 58.97 2o42 h GLN 117 Cb 0.63 -0.03 -0.05 0.00 0.05 0.00 0.00 27.48 28.09 2o42 h GLN 117 CO 0.05 0.79 0.45 1.96 -1.50 0.00 0.00 178.83 180.58 2o42 h GLN 118 N 0.35 0.85 -0.00 1.46 4.20 -1.73 0.56 115.11 120.80 2o42 h GLN 118 Ca 0.07 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2o42 h GLN 118 Cb 0.58 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2o42 h GLN 118 CO 0.03 0.57 -0.01 0.28 -0.67 0.00 0.00 178.83 179.03 2o42 h VAL 119 N 0.88 1.52 -0.97 -0.54 2.07 -0.94 -2.51 116.25 115.76 2o42 h VAL 119 Ca 0.29 -1.53 0.11 0.00 0.82 0.00 0.00 66.70 66.40 2o42 h VAL 119 Cb 0.03 2.55 -0.08 0.00 -1.52 0.00 0.00 31.29 32.28 2o42 h VAL 119 CO -0.12 0.40 0.62 0.40 0.02 0.00 0.00 177.57 178.89 2o42 h ILE 120 N -0.64 0.93 -0.84 4.57 2.04 -0.56 -0.93 117.51 122.08 2o42 h ILE 120 Ca -0.00 -0.33 0.08 0.00 1.00 0.00 0.00 64.86 65.61 2o42 h ILE 120 Cb 0.66 -0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 36.57 2o42 h ILE 120 CO 0.00 0.17 0.50 1.23 0.00 0.00 0.00 178.15 180.06 2o42 h GLY 121 N 0.95 1.29 0.76 5.37 0.00 -0.78 -1.97 103.07 108.69 2o42 h GLY 121 Ca 0.47 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 2o42 h GLY 121 CO -0.23 0.20 -0.11 -2.75 0.00 0.00 0.00 176.54 173.64 2o42 h PHE 122 N 0.88 -0.29 -1.01 5.60 3.57 -0.74 0.17 116.94 125.13 2o42 h PHE 122 Ca 0.39 -0.01 0.24 0.00 3.53 0.00 0.00 57.97 62.12 2o42 h PHE 122 Cb 0.27 0.09 -0.12 0.00 2.79 0.00 0.00 35.95 38.98 2o42 h PHE 122 CO -0.04 -0.00 0.60 0.82 -2.23 0.00 0.00 178.31 177.45 2o42 h ILE 123 N -0.55 0.55 0.00 1.41 2.04 -1.06 -1.31 117.51 118.58 2o42 h ILE 123 Ca -0.03 -0.20 -0.15 0.00 1.00 0.00 0.00 64.86 65.48 2o42 h ILE 123 Cb 0.41 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 2o42 h ILE 123 CO 0.05 0.11 -1.71 0.00 0.00 0.00 0.00 178.15 176.60 2o42 n GLN 124 N -4.86 0.64 0.00 2.37 6.02 -0.77 -4.32 117.38 116.47 2o42 n GLN 124 Ca 0.27 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.32 2o42 n GLN 124 Cb 0.74 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 30.32 2o42 n GLN 124 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2o42 n LYS 125 N -2.69 0.00 -0.14 -1.09 5.02 0.60 -4.66 118.16 115.20 2o42 n LYS 125 Ca -0.12 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.10 2o42 n LYS 125 Cb 0.81 -0.03 0.02 0.00 -0.02 0.00 0.00 35.03 35.81 2o42 n LYS 125 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2o42 h LYS 126 N 0.00 0.54 -0.71 1.97 3.64 -1.63 -1.60 116.57 118.78 2o42 h LYS 126 Ca 0.00 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.46 2o42 h LYS 126 Cb 0.00 -0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 31.62 2o42 h LYS 126 CO 0.00 0.36 0.31 0.00 -2.27 0.00 0.00 179.45 177.85 2o42 h LYS 128 N 0.51 0.47 -0.17 0.00 6.56 -1.56 -1.10 116.57 121.28 2o42 h LYS 128 Ca 0.37 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.92 2o42 h LYS 128 Cb 0.47 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.02 2o42 h LYS 128 CO -0.33 0.31 0.06 1.88 -2.06 0.00 0.00 179.45 179.32 2o42 h TYR 129 N 0.49 0.25 0.44 -1.35 0.05 0.44 -1.95 116.97 115.34 2o42 h TYR 129 Ca 0.23 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.98 2o42 h TYR 129 Cb 0.16 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 2o42 h TYR 129 CO -0.11 0.33 -0.43 -0.91 -1.05 0.00 0.00 178.16 175.99 2o42 h ASN 130 N 0.11 -1.15 -1.03 3.88 2.35 -0.28 0.61 115.58 120.06 2o42 h ASN 130 Ca 0.05 0.09 0.27 0.00 -0.55 0.00 0.00 56.30 56.17 2o42 h ASN 130 Cb 0.18 0.38 -0.12 0.00 0.05 0.00 0.00 38.32 38.81 2o42 h ASN 130 CO -0.00 -0.58 0.62 0.74 -1.65 0.00 0.00 177.43 176.56 2o42 h THR 131 N -0.88 0.47 0.05 2.81 2.02 -1.05 0.28 112.91 116.61 2o42 h THR 131 Ca -0.04 -0.16 -0.15 0.00 0.77 0.00 0.00 66.41 66.83 2o42 h THR 131 Cb 0.77 -0.04 0.01 0.00 -1.74 0.00 0.00 68.15 67.16 2o42 h THR 131 CO -0.06 0.09 -0.61 0.74 0.37 0.00 0.00 175.52 176.05 2o42 h THR 132 N 0.47 1.49 -0.63 3.16 2.02 -1.07 -1.78 112.91 116.57 2o42 h THR 132 Ca 0.66 -2.23 0.12 0.00 0.77 0.00 0.00 66.41 65.73 2o42 h THR 132 Cb 1.44 2.86 -0.09 0.00 -1.74 0.00 0.00 68.15 70.61 2o42 h THR 132 CO -0.45 0.64 0.12 0.22 0.37 0.00 0.00 175.52 176.41 2o42 h TYR 133 N -0.28 0.18 0.21 3.16 3.20 0.18 -1.41 116.97 122.20 2o42 h TYR 133 Ca -0.09 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 2o42 h TYR 133 Cb 1.38 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.67 2o42 h TYR 133 CO 0.17 -0.06 -0.10 -0.92 -1.64 0.00 0.00 178.16 175.61 2o42 h TYR 134 N 0.24 -0.26 0.00 -3.82 3.20 -0.97 -3.21 116.97 112.14 2o42 h TYR 134 Ca 0.34 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 2o42 h TYR 134 Cb 0.53 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 2o42 h TYR 134 CO -0.27 0.02 -0.05 -0.91 -1.64 0.00 0.00 178.16 175.31 2o42 h ASN 135 N -0.53 0.00 1.15 -2.11 2.35 -0.95 -0.92 115.58 114.56 2o42 h ASN 135 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2o42 h ASN 135 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2o42 h ASN 135 CO 0.05 0.05 0.00 0.52 -1.65 0.00 0.00 177.43 176.39 2o42 n VAL 136 N -3.17 0.32 -0.98 2.81 0.31 -0.57 -3.04 118.33 114.02 2o42 n VAL 136 Ca 0.00 -0.09 0.04 0.00 -0.01 0.00 0.00 64.34 64.28 2o42 n VAL 136 Cb 0.32 -0.59 0.35 0.00 -0.91 0.00 0.00 33.84 33.01 2o42 n VAL 136 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2o42 n ARG 137 N -1.83 4.14 -0.73 5.55 1.74 -0.35 -5.11 116.66 120.07 2o42 n ARG 137 Ca 0.06 -3.09 0.00 0.00 -0.77 0.00 0.00 57.85 54.05 2o42 n ARG 137 Cb 0.36 -2.16 0.00 0.00 -1.02 0.00 0.00 32.46 29.64 2o42 n ARG 137 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54