#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1if2 s LYS 3 N 0.00 3.69 1.29 0.00 1.02 -1.26 -5.05 119.74 119.43 1if2 s LYS 3 Ca 0.00 1.17 -0.20 0.00 0.02 0.00 0.00 55.97 56.96 1if2 s LYS 3 Cb 0.00 -2.09 0.32 0.00 -0.52 0.00 0.00 37.83 35.54 1if2 s LYS 3 CO 0.00 -0.50 1.03 -1.25 -0.92 0.00 0.00 175.35 173.71 1if2 s PRO 4 N -3.76 -1.91 0.10 -1.68 0.04 -1.26 -4.90 135.00 121.62 1if2 s PRO 4 Ca 0.63 0.07 -0.31 0.00 0.04 0.00 0.00 61.00 61.44 1if2 s PRO 4 Cb -0.14 -1.50 -0.09 0.00 0.04 0.00 0.00 34.50 32.81 1if2 s PRO 4 CO 0.29 -4.19 1.58 -1.14 0.04 0.00 0.00 177.00 173.58 1if2 s GLN 5 N -5.21 4.22 0.73 4.56 0.74 -1.26 -4.97 119.66 118.47 1if2 s GLN 5 Ca 0.70 2.29 -0.11 0.00 0.05 0.00 0.00 55.36 58.29 1if2 s GLN 5 Cb -0.12 -3.43 0.03 0.00 1.10 0.00 0.00 33.01 30.59 1if2 s GLN 5 CO 0.57 -0.66 1.07 -1.25 -0.55 0.00 0.00 175.29 174.48 1if2 s PRO 6 N 2.03 2.67 -0.02 1.67 0.04 -1.26 -4.88 135.00 135.25 1if2 s PRO 6 Ca 0.71 0.95 0.05 0.00 0.04 0.00 0.00 61.00 62.75 1if2 s PRO 6 Cb -0.40 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.17 1if2 s PRO 6 CO 0.31 -1.29 -0.17 0.42 0.04 0.00 0.00 177.00 176.32 1if2 s ILE 7 N -3.03 1.36 -0.28 0.56 1.01 -0.84 -1.34 121.20 118.65 1if2 s ILE 7 Ca 0.59 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 60.55 1if2 s ILE 7 Cb -0.15 -1.15 0.07 0.00 0.01 0.00 0.00 42.46 41.24 1if2 s ILE 7 CO 0.55 0.39 -0.07 0.00 0.00 0.00 0.00 174.94 175.81 1if2 s ALA 8 N -0.22 2.65 -0.13 9.38 0.00 -0.68 -1.69 121.76 131.07 1if2 s ALA 8 Ca 0.02 -1.91 -0.01 0.00 0.00 0.00 0.00 51.96 50.07 1if2 s ALA 8 Cb -0.09 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 1if2 s ALA 8 CO 0.00 -1.29 -0.11 0.00 0.00 0.00 0.00 175.76 174.36 1if2 s ALA 9 N 1.07 2.69 -0.31 0.00 0.00 0.30 -1.49 121.76 124.02 1if2 s ALA 9 Ca -0.05 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 50.91 1if2 s ALA 9 Cb -0.20 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 1if2 s ALA 9 CO -0.05 0.25 0.23 0.00 0.00 0.00 0.00 175.76 176.19 1if2 s ALA 10 N 0.32 3.52 -0.42 0.00 0.00 0.12 -0.75 121.76 124.55 1if2 s ALA 10 Ca -0.09 -1.22 -0.09 0.00 0.00 0.00 0.00 51.96 50.55 1if2 s ALA 10 Cb -0.15 -2.59 0.08 0.00 0.00 0.00 0.00 23.12 20.45 1if2 s ALA 10 CO 0.05 -0.77 0.26 1.21 0.00 0.00 0.00 175.76 176.51 1if2 s ASN 11 N 1.74 5.65 0.00 0.00 2.47 -0.17 0.02 114.94 124.65 1if2 s ASN 11 Ca 0.07 -1.49 0.27 0.00 0.42 0.00 0.00 52.86 52.12 1if2 s ASN 11 Cb -0.17 -1.99 1.49 0.00 -1.45 0.00 0.00 41.25 39.13 1if2 s ASN 11 CO 0.11 -0.54 1.93 0.79 -3.72 0.00 0.00 177.10 175.67 1if2 n TRP 12 N 4.92 0.00 -2.29 0.43 8.01 -0.37 -4.38 117.44 123.77 1if2 n TRP 12 Ca -0.10 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.09 1if2 n TRP 12 Cb 0.43 -0.11 0.00 0.00 -2.01 0.00 0.00 31.31 29.62 1if2 n TRP 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1if2 n LYS 13 N -1.11 0.00 -3.08 -0.99 5.02 -1.26 -2.87 118.16 113.86 1if2 n LYS 13 Ca 0.17 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.08 1if2 n LYS 13 Cb 0.14 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.13 1if2 n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1if2 s ASN 15 N -2.01 0.32 0.00 0.00 0.01 -1.14 -5.13 114.94 107.00 1if2 s ASN 15 Ca 0.35 -0.88 0.00 0.00 -0.71 0.00 0.00 52.86 51.62 1if2 s ASN 15 Cb 0.09 0.27 0.00 0.00 0.41 0.00 0.00 41.25 42.02 1if2 s ASN 15 CO 0.05 -0.67 0.00 0.61 -1.51 0.00 0.00 177.10 175.58 1if2 n GLY 16 N 0.02 3.31 3.42 0.66 0.00 -1.26 -4.73 105.19 106.61 1if2 n GLY 16 Ca -0.14 -1.76 -0.21 0.00 0.00 0.00 0.00 46.02 43.92 1if2 n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1if2 s THR 17 N -2.03 1.28 0.19 2.61 -4.23 -1.26 -5.01 115.64 107.19 1if2 s THR 17 Ca 0.00 -2.04 -0.11 0.00 -1.18 0.00 0.00 61.69 58.36 1if2 s THR 17 Cb 0.00 -2.62 0.11 0.00 1.34 0.00 0.00 72.50 71.33 1if2 s THR 17 CO 0.00 -0.14 1.78 0.71 -0.54 0.00 0.00 174.62 176.43 1if2 h THR 18 N 2.22 1.22 -0.23 3.99 1.35 -2.00 0.00 112.91 119.47 1if2 h THR 18 Ca -0.40 -0.61 -0.01 0.00 -0.55 0.00 0.00 66.41 64.84 1if2 h THR 18 Cb 1.24 0.39 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 1if2 h THR 18 CO 0.68 0.26 0.12 0.00 -0.25 0.00 0.00 175.52 176.33 1if2 h ALA 19 N 1.16 0.30 -0.06 6.62 0.00 -1.99 -0.95 119.26 124.33 1if2 h ALA 19 Ca 0.23 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1if2 h ALA 19 Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1if2 h ALA 19 CO -0.03 -0.16 -0.59 0.66 0.00 0.00 0.00 179.25 179.13 1if2 h SER 20 N 0.26 0.23 -0.27 0.00 4.64 -1.89 -2.74 113.55 113.78 1if2 h SER 20 Ca 0.08 -0.13 -0.19 0.00 -0.47 0.00 0.00 61.79 61.09 1if2 h SER 20 Cb 0.08 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1if2 h SER 20 CO -0.01 0.76 -0.55 0.40 -0.87 0.00 0.00 176.83 176.56 1if2 h ILE 21 N 0.15 1.27 -0.49 0.95 2.04 -0.91 -1.84 117.51 118.68 1if2 h ILE 21 Ca -0.00 -1.73 0.02 0.00 1.00 0.00 0.00 64.86 64.14 1if2 h ILE 21 Cb 1.08 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 1if2 h ILE 21 CO 0.09 0.57 0.31 -0.33 0.00 0.00 0.00 178.15 178.78 1if2 h GLU 22 N 0.67 0.60 -0.16 2.37 5.08 -1.09 -0.78 114.58 121.27 1if2 h GLU 22 Ca 0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1if2 h GLU 22 Cb 1.15 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1if2 h GLU 22 CO 0.12 0.40 0.08 0.87 -1.00 0.00 0.00 179.01 179.48 1if2 h LYS 23 N 0.62 0.22 -0.68 2.33 1.57 -1.45 -2.47 116.57 116.72 1if2 h LYS 23 Ca 0.19 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1if2 h LYS 23 Cb -0.02 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1if2 h LYS 23 CO -0.07 0.24 0.17 1.25 -0.57 0.00 0.00 179.45 180.48 1if2 h LEU 24 N 0.15 1.00 -1.12 2.94 5.85 -1.12 -2.41 115.31 120.60 1if2 h LEU 24 Ca 0.06 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 1if2 h LEU 24 Cb 0.09 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1if2 h LEU 24 CO -0.01 0.96 0.08 0.58 -0.34 0.00 0.00 178.44 179.71 1if2 h VAL 25 N 1.02 1.21 -0.50 1.05 2.07 -1.08 -0.69 116.25 119.33 1if2 h VAL 25 Ca 0.22 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 1if2 h VAL 25 Cb 0.34 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1if2 h VAL 25 CO -0.00 0.28 0.03 1.56 0.02 0.00 0.00 177.57 179.46 1if2 h GLN 26 N 0.67 0.82 -0.67 1.57 4.20 -1.10 0.54 115.11 121.15 1if2 h GLN 26 Ca 0.15 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1if2 h GLN 26 Cb 0.30 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1if2 h GLN 26 CO 0.00 0.81 0.36 0.28 -0.67 0.00 0.00 178.83 179.61 1if2 h VAL 27 N 0.77 1.21 -0.45 -0.54 2.07 -0.91 -1.34 116.25 117.07 1if2 h VAL 27 Ca 0.15 -0.53 -0.13 0.00 0.82 0.00 0.00 66.70 67.01 1if2 h VAL 27 Cb 0.43 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1if2 h VAL 27 CO 0.02 0.23 -0.23 -0.26 0.02 0.00 0.00 177.57 177.35 1if2 h PHE 28 N 0.91 1.09 -0.62 1.57 0.04 -0.56 -2.93 116.94 116.44 1if2 h PHE 28 Ca 0.23 -0.27 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1if2 h PHE 28 Cb 0.05 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 37.92 1if2 h PHE 28 CO -0.01 1.08 0.39 -0.91 -0.60 0.00 0.00 178.31 178.27 1if2 h ASN 29 N 0.78 0.73 0.78 2.17 2.35 -0.59 -3.05 115.58 118.74 1if2 h ASN 29 Ca 0.10 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1if2 h ASN 29 Cb 0.80 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1if2 h ASN 29 CO 0.07 0.54 -0.26 -0.62 -1.65 0.00 0.00 177.43 175.51 1if2 n GLU 30 N -4.43 0.02 -2.77 0.81 1.02 -0.53 -4.73 120.64 110.03 1if2 n GLU 30 Ca 0.06 0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.79 1if2 n GLU 30 Cb 0.06 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 29.92 1if2 n GLU 30 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1if2 s HIS 31 N -3.01 3.07 -0.15 -0.32 2.46 -1.12 -5.03 115.29 111.18 1if2 s HIS 31 Ca 0.12 0.81 -0.26 0.00 0.47 0.00 0.00 55.06 56.21 1if2 s HIS 31 Cb 0.18 -3.71 -0.02 0.00 -0.13 0.00 0.00 32.58 28.90 1if2 s HIS 31 CO 0.62 -0.85 0.84 0.99 -2.47 0.00 0.00 174.74 173.87 1if2 s THR 32 N 3.56 4.88 -0.23 0.89 2.01 -1.26 -5.00 115.64 120.49 1if2 s THR 32 Ca 0.40 1.66 -0.07 0.00 0.31 0.00 0.00 61.69 63.99 1if2 s THR 32 Cb -0.12 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.22 1if2 s THR 32 CO 0.19 0.04 0.05 -0.63 -0.69 0.00 0.00 174.62 173.58 1if2 s ILE 33 N 2.03 4.26 -1.17 1.82 1.01 -1.26 -4.98 121.20 122.92 1if2 s ILE 33 Ca 0.39 -0.20 0.15 0.00 0.00 0.00 0.00 60.65 61.00 1if2 s ILE 33 Cb -0.17 -2.97 0.46 0.00 0.01 0.00 0.00 42.46 39.79 1if2 s ILE 33 CO 0.13 0.37 1.38 -1.54 0.00 0.00 0.00 174.94 175.29 1if2 n SER 34 N 4.61 3.47 -4.49 3.58 3.41 -1.26 -4.98 113.62 117.97 1if2 n SER 34 Ca -0.16 -2.13 -0.24 0.00 -0.26 0.00 0.00 58.87 56.08 1if2 n SER 34 Cb 0.52 -0.36 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 1if2 n SER 34 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1if2 s HIS 35 N -1.23 2.11 -0.53 7.33 -3.43 -1.26 -5.09 115.29 113.19 1if2 s HIS 35 Ca 0.35 -0.90 -0.28 0.00 -0.80 0.00 0.00 55.06 53.43 1if2 s HIS 35 Cb 0.20 -1.43 0.03 0.00 -1.43 0.00 0.00 32.58 29.95 1if2 s HIS 35 CO 0.21 0.12 1.14 0.34 -2.00 0.00 0.00 174.74 174.55 1if2 s ASP 36 N -3.57 6.51 -0.06 7.38 2.15 -1.26 -4.98 116.67 122.84 1if2 s ASP 36 Ca 0.34 0.21 -0.14 0.00 0.43 0.00 0.00 52.55 53.40 1if2 s ASP 36 Cb 0.09 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 40.20 1if2 s ASP 36 CO 0.16 -1.35 0.32 0.54 -0.17 0.00 0.00 175.17 174.67 1if2 s VAL 37 N 4.62 0.03 -0.28 1.11 0.11 -1.26 -4.39 120.40 120.34 1if2 s VAL 37 Ca 0.44 -0.28 -0.12 0.00 -2.93 0.00 0.00 61.98 59.08 1if2 s VAL 37 Cb -0.08 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.17 1if2 s VAL 37 CO 0.28 -0.15 0.26 -1.58 -3.33 0.00 0.00 175.10 170.57 1if2 s GLN 38 N -0.69 3.96 0.02 1.54 2.00 -0.45 -4.90 119.66 121.13 1if2 s GLN 38 Ca -0.08 -0.20 -0.07 0.00 -2.00 0.00 0.00 55.36 53.01 1if2 s GLN 38 Cb -0.04 -3.66 -0.05 0.00 0.80 0.00 0.00 33.01 30.06 1if2 s GLN 38 CO 0.03 -0.22 0.29 0.00 -0.50 0.00 0.00 175.29 174.88 1if2 s VAL 40 N -1.31 0.69 -0.08 0.00 1.01 -0.56 -1.25 120.40 118.90 1if2 s VAL 40 Ca 0.28 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.05 1if2 s VAL 40 Cb -0.13 -0.65 -0.00 0.00 0.00 0.00 0.00 36.38 35.60 1if2 s VAL 40 CO 0.16 0.24 -0.22 0.54 0.00 0.00 0.00 175.10 175.82 1if2 s VAL 41 N 0.54 1.91 -0.34 2.92 0.11 -0.68 0.12 120.40 124.98 1if2 s VAL 41 Ca -0.08 -0.95 0.04 0.00 -2.93 0.00 0.00 61.98 58.06 1if2 s VAL 41 Cb -0.12 -1.65 0.10 0.00 -1.53 0.00 0.00 36.38 33.18 1if2 s VAL 41 CO 0.01 0.53 0.04 0.00 -3.33 0.00 0.00 175.10 172.35 1if2 s ALA 42 N 0.25 2.88 0.60 1.54 0.00 0.10 -0.67 121.76 126.46 1if2 s ALA 42 Ca -0.14 -2.49 0.02 0.00 0.00 0.00 0.00 51.96 49.35 1if2 s ALA 42 Cb -0.16 -1.95 0.07 0.00 0.00 0.00 0.00 23.12 21.07 1if2 s ALA 42 CO 0.07 -1.66 0.83 -1.25 0.00 0.00 0.00 175.76 173.75 1if2 s PRO 43 N 0.92 2.25 0.90 0.00 0.04 -1.25 -1.23 135.00 136.63 1if2 s PRO 43 Ca 0.10 -1.02 -0.11 0.00 0.04 0.00 0.00 61.00 60.01 1if2 s PRO 43 Cb -0.19 -2.47 0.14 0.00 0.04 0.00 0.00 34.50 32.01 1if2 s PRO 43 CO -0.08 -0.94 1.11 0.95 0.04 0.00 0.00 177.00 178.09 1if2 s THR 44 N -2.85 2.47 0.31 1.26 -4.23 -1.26 -4.37 115.64 106.98 1if2 s THR 44 Ca 0.61 0.15 0.02 0.00 -1.18 0.00 0.00 61.69 61.28 1if2 s THR 44 Cb -0.08 -2.36 0.28 0.00 1.34 0.00 0.00 72.50 71.68 1if2 s THR 44 CO 0.40 -0.20 1.93 -0.26 -0.54 0.00 0.00 174.62 175.95 1if2 h PHE 45 N -1.73 0.98 0.00 3.99 0.05 -1.97 -1.83 116.94 116.44 1if2 h PHE 45 Ca -0.46 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.35 1if2 h PHE 45 Cb 1.27 -0.32 0.00 0.00 2.00 0.00 0.00 35.95 38.89 1if2 h PHE 45 CO 0.48 0.53 0.00 -0.39 -0.18 0.00 0.00 178.31 178.75 1if2 h VAL 46 N 0.98 0.00 -0.01 -0.55 -1.51 -2.03 -2.90 116.25 110.23 1if2 h VAL 46 Ca 0.36 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 1if2 h VAL 46 Cb 0.17 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1if2 h VAL 46 CO -0.13 0.00 -0.32 1.41 -1.23 0.00 0.00 177.57 177.30 1if2 n HIS 47 N -2.58 0.00 -0.03 5.19 8.25 -0.70 -4.51 115.22 120.84 1if2 n HIS 47 Ca 0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.40 1if2 n HIS 47 Cb 0.28 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.33 1if2 n HIS 47 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1if2 h ILE 48 N 2.33 0.67 -0.80 1.59 2.04 -1.36 -1.36 117.51 120.62 1if2 h ILE 48 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1if2 h ILE 48 Cb 0.69 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 1if2 h ILE 48 CO 0.00 0.00 0.52 -0.65 0.00 0.00 0.00 178.15 178.02 1if2 h PRO 49 N -0.09 0.99 -0.40 2.37 0.11 -1.81 0.51 132.00 133.68 1if2 h PRO 49 Ca 0.11 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1if2 h PRO 49 Cb 0.26 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 1if2 h PRO 49 CO -0.26 0.66 0.22 1.25 -0.21 0.00 0.00 178.00 179.66 1if2 h LEU 50 N 1.02 0.50 -0.78 2.35 5.85 -1.76 -1.46 115.31 121.04 1if2 h LEU 50 Ca 0.31 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 1if2 h LEU 50 Cb -0.04 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1if2 h LEU 50 CO -0.10 0.45 0.04 0.58 -0.34 0.00 0.00 178.44 179.07 1if2 h VAL 51 N 0.52 1.26 -0.70 1.05 2.07 -0.85 -1.73 116.25 117.86 1if2 h VAL 51 Ca 0.14 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 1if2 h VAL 51 Cb 0.05 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1if2 h VAL 51 CO -0.02 0.38 0.42 1.56 0.02 0.00 0.00 177.57 179.93 1if2 h GLN 52 N 0.90 0.95 0.00 1.57 4.20 -0.70 -0.23 115.11 121.81 1if2 h GLN 52 Ca 0.17 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.66 1if2 h GLN 52 Cb 0.47 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1if2 h GLN 52 CO 0.02 0.67 -0.67 0.00 -0.67 0.00 0.00 178.83 178.18 1if2 h ALA 53 N 1.50 0.72 0.00 3.87 0.00 -0.65 -3.38 119.26 121.33 1if2 h ALA 53 Ca 0.25 -0.61 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 1if2 h ALA 53 Cb -0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1if2 h ALA 53 CO -0.05 0.84 -1.87 1.63 0.00 0.00 0.00 179.25 179.80 1if2 n LYS 54 N -3.50 1.07 -2.53 0.00 4.76 -0.71 -4.95 118.16 112.30 1if2 n LYS 54 Ca -0.00 -0.07 -0.43 0.00 -2.87 0.00 0.00 58.31 54.94 1if2 n LYS 54 Cb 0.72 -1.37 -0.02 0.00 -1.84 0.00 0.00 35.03 32.51 1if2 n LYS 54 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1if2 s LEU 55 N -4.60 4.20 0.00 -0.35 2.96 -0.13 -4.88 118.68 115.89 1if2 s LEU 55 Ca -0.07 1.63 0.00 0.00 -0.22 0.00 0.00 54.13 55.48 1if2 s LEU 55 Cb 0.07 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.21 1if2 s LEU 55 CO 0.63 -0.64 0.00 0.54 -1.32 0.00 0.00 176.35 175.55 1if2 n ARG 56 N 5.89 3.85 -1.66 1.98 1.74 -1.26 -4.92 116.66 122.28 1if2 n ARG 56 Ca 0.12 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.75 1if2 n ARG 56 Cb 0.46 -0.64 -0.04 0.00 -1.02 0.00 0.00 32.46 31.22 1if2 n ARG 56 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1if2 n ASN 57 N -1.05 3.81 0.20 0.55 2.85 -1.26 -4.86 115.26 115.50 1if2 n ASN 57 Ca 0.00 0.85 0.14 0.00 -0.11 0.00 0.00 54.58 55.47 1if2 n ASN 57 Cb 0.00 -1.47 0.68 0.00 1.24 0.00 0.00 39.78 40.23 1if2 n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1if2 h PRO 58 N 10.58 0.00 -0.00 1.20 0.13 -1.96 -2.29 132.00 139.65 1if2 h PRO 58 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1if2 h PRO 58 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1if2 h PRO 58 CO 0.95 0.00 -0.02 1.63 -0.23 0.00 0.00 178.00 180.33 1if2 n LYS 59 N -2.52 0.99 -3.99 0.86 4.76 -1.26 -4.91 118.16 112.09 1if2 n LYS 59 Ca -0.00 -0.21 -0.31 0.00 -2.87 0.00 0.00 58.31 54.92 1if2 n LYS 59 Cb 0.15 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.79 1if2 n LYS 59 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1if2 s TYR 60 N -2.15 3.34 0.19 2.13 1.51 -0.86 -0.64 117.35 120.87 1if2 s TYR 60 Ca 0.41 0.16 0.06 0.00 -1.01 0.00 0.00 57.07 56.68 1if2 s TYR 60 Cb 0.21 -1.69 -0.05 0.00 -0.11 0.00 0.00 41.96 40.33 1if2 s TYR 60 CO 0.39 0.55 -0.10 0.14 -1.11 0.00 0.00 175.55 175.43 1if2 s VAL 61 N -1.43 1.41 -0.06 0.71 -7.23 -0.38 -4.96 120.40 108.45 1if2 s VAL 61 Ca 0.31 -2.12 -0.01 0.00 -1.81 0.00 0.00 61.98 58.35 1if2 s VAL 61 Cb -0.13 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 1if2 s VAL 61 CO 0.24 -0.58 0.03 -0.63 -0.31 0.00 0.00 175.10 173.85 1if2 s ILE 62 N -3.18 4.47 0.11 -0.62 1.01 -1.26 -1.68 121.20 120.05 1if2 s ILE 62 Ca 0.22 -0.30 0.08 0.00 0.00 0.00 0.00 60.65 60.65 1if2 s ILE 62 Cb 0.02 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 1if2 s ILE 62 CO 0.05 0.52 -0.19 -0.55 0.00 0.00 0.00 174.94 174.77 1if2 s SER 63 N -1.18 2.41 0.46 3.58 0.15 0.15 -4.17 113.70 115.11 1if2 s SER 63 Ca 0.16 -0.72 -0.10 0.00 0.70 0.00 0.00 55.95 56.00 1if2 s SER 63 Cb -0.12 -0.13 -0.06 0.00 -1.71 0.00 0.00 66.02 64.01 1if2 s SER 63 CO 0.06 0.01 0.83 0.00 1.20 0.00 0.00 173.24 175.34 1if2 s ALA 64 N -1.40 3.30 -0.99 5.45 0.00 -0.69 -3.94 121.76 123.49 1if2 s ALA 64 Ca 0.07 -0.23 0.26 0.00 0.00 0.00 0.00 51.96 52.07 1if2 s ALA 64 Cb -0.09 -2.76 0.75 0.00 0.00 0.00 0.00 23.12 21.02 1if2 s ALA 64 CO 0.04 -0.20 1.59 1.04 0.00 0.00 0.00 175.76 178.23 1if2 n GLN 65 N -1.75 0.01 -3.62 0.00 6.02 -1.26 -1.34 117.38 115.44 1if2 n GLN 65 Ca 0.03 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.01 1if2 n GLN 65 Cb 0.54 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.29 1if2 n GLN 65 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1if2 s ASN 66 N -3.03 -0.11 0.13 1.08 2.47 -1.23 -4.50 114.94 109.75 1if2 s ASN 66 Ca 0.12 -0.12 -0.25 0.00 0.42 0.00 0.00 52.86 53.03 1if2 s ASN 66 Cb 0.18 0.20 0.07 0.00 -1.45 0.00 0.00 41.25 40.25 1if2 s ASN 66 CO 0.64 -0.36 0.86 0.00 -3.72 0.00 0.00 177.10 174.52 1if2 s ALA 67 N -2.55 -1.63 0.28 1.71 0.00 -1.26 -4.92 121.76 113.39 1if2 s ALA 67 Ca 0.12 0.35 0.08 0.00 0.00 0.00 0.00 51.96 52.51 1if2 s ALA 67 Cb 0.02 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 1if2 s ALA 67 CO -0.04 -0.91 0.12 0.96 0.00 0.00 0.00 175.76 175.89 1if2 s ILE 68 N -3.40 3.80 0.17 0.00 -4.36 -0.12 -4.95 121.20 112.35 1if2 s ILE 68 Ca 0.09 -1.63 -0.08 0.00 -0.26 0.00 0.00 60.65 58.76 1if2 s ILE 68 Cb -0.02 -3.12 0.00 0.00 1.25 0.00 0.00 42.46 40.58 1if2 s ILE 68 CO -0.02 -0.32 1.56 0.00 0.24 0.00 0.00 174.94 176.40 1if2 h ALA 69 N 1.63 0.72 -3.53 2.27 0.00 -1.93 -0.21 119.26 118.21 1if2 h ALA 69 Ca -0.46 -0.40 -0.41 0.00 0.00 0.00 0.00 54.91 53.64 1if2 h ALA 69 Cb 1.25 -0.15 -0.23 0.00 0.00 0.00 0.00 17.79 18.65 1if2 h ALA 69 CO 0.61 0.67 -0.78 0.15 0.00 0.00 0.00 179.25 179.89 1if2 s LYS 70 N -4.59 0.82 0.79 0.00 -0.14 -1.26 -4.13 119.74 111.23 1if2 s LYS 70 Ca -0.11 -0.84 -0.10 0.00 -1.36 0.00 0.00 55.97 53.56 1if2 s LYS 70 Cb 0.12 -0.81 0.06 0.00 -1.68 0.00 0.00 37.83 35.53 1if2 s LYS 70 CO 0.86 0.19 1.10 -1.12 -0.76 0.00 0.00 175.35 175.62 1if2 s SER 71 N -1.45 4.37 0.00 2.83 0.01 -1.26 -4.78 113.70 113.42 1if2 s SER 71 Ca -0.01 1.85 0.00 0.00 1.31 0.00 0.00 55.95 59.09 1if2 s SER 71 Cb -0.09 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1if2 s SER 71 CO 0.02 -2.13 0.00 0.61 0.41 0.00 0.00 173.24 172.15 1if2 n GLY 72 N -1.10 0.13 3.00 3.44 0.00 -1.26 -4.99 105.19 104.40 1if2 n GLY 72 Ca 0.09 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1if2 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1if2 n ALA 73 N -0.45 4.96 -3.47 4.61 0.00 -1.26 -4.75 120.51 120.15 1if2 n ALA 73 Ca 0.00 -3.98 -0.27 0.00 0.00 0.00 0.00 53.44 49.19 1if2 n ALA 73 Cb 0.00 -3.41 -0.09 0.00 0.00 0.00 0.00 19.45 15.94 1if2 n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1if2 n PHE 74 N 6.14 1.21 -1.65 0.00 3.72 -1.26 -5.09 117.46 120.52 1if2 n PHE 74 Ca 0.48 -3.80 -0.48 0.00 -0.05 0.00 0.00 57.45 53.60 1if2 n PHE 74 Cb 0.40 -0.28 -0.05 0.00 -0.94 0.00 0.00 39.48 38.61 1if2 n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1if2 n THR 75 N 1.84 0.08 0.00 4.37 -1.04 -1.26 -2.02 114.28 116.26 1if2 n THR 75 Ca 0.25 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 1if2 n THR 75 Cb 0.45 -1.41 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 1if2 n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1if2 n GLY 76 N 3.37 2.38 3.98 3.41 0.00 -1.26 -5.06 105.19 112.01 1if2 n GLY 76 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1if2 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1if2 s GLU 77 N -0.83 3.05 -0.08 1.61 0.41 -0.85 -5.11 118.70 116.90 1if2 s GLU 77 Ca 0.00 -0.85 0.04 0.00 -0.41 0.00 0.00 54.97 53.75 1if2 s GLU 77 Cb 0.00 -2.72 0.00 0.00 -1.78 0.00 0.00 34.13 29.63 1if2 s GLU 77 CO 0.00 -0.10 -0.20 0.08 -0.49 0.00 0.00 175.26 174.55 1if2 s VAL 78 N -2.33 1.71 0.38 2.63 1.01 -1.26 -5.00 120.40 117.54 1if2 s VAL 78 Ca 0.47 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.67 1if2 s VAL 78 Cb -0.10 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.79 1if2 s VAL 78 CO 0.34 0.48 0.54 -0.94 0.00 0.00 0.00 175.10 175.52 1if2 s SER 79 N 0.36 5.86 0.23 3.32 1.04 -1.26 -0.95 113.70 122.30 1if2 s SER 79 Ca -0.15 -0.10 -0.08 0.00 0.48 0.00 0.00 55.95 56.10 1if2 s SER 79 Cb -0.16 -1.21 0.21 0.00 0.10 0.00 0.00 66.02 64.96 1if2 s SER 79 CO 0.06 -0.57 1.90 0.24 0.98 0.00 0.00 173.24 175.85 1if2 h MET 80 N 0.70 1.16 -0.45 4.02 2.86 -1.18 -1.92 114.93 120.12 1if2 h MET 80 Ca -0.45 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.06 1if2 h MET 80 Cb 1.26 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 1if2 h MET 80 CO 0.53 0.77 0.03 -1.35 1.06 0.00 0.00 176.91 177.95 1if2 h PRO 81 N 1.20 0.72 -0.46 -0.22 0.11 -1.86 -0.47 132.00 131.01 1if2 h PRO 81 Ca 0.32 -0.17 -0.10 0.00 0.11 0.00 0.00 66.00 66.16 1if2 h PRO 81 Cb -0.13 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 30.87 1if2 h PRO 81 CO -0.07 0.71 -0.10 0.82 -0.21 0.00 0.00 178.00 179.16 1if2 h ILE 82 N 0.68 1.27 -0.39 4.15 2.04 -1.88 -1.69 117.51 121.69 1if2 h ILE 82 Ca 0.14 -1.21 -0.03 0.00 1.00 0.00 0.00 64.86 64.76 1if2 h ILE 82 Cb 0.38 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1if2 h ILE 82 CO 0.01 0.42 0.12 -0.07 0.00 0.00 0.00 178.15 178.63 1if2 h LEU 83 N 0.72 0.57 -0.49 1.44 3.38 -0.86 -2.47 115.31 117.60 1if2 h LEU 83 Ca 0.12 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1if2 h LEU 83 Cb 0.64 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1if2 h LEU 83 CO 0.04 0.63 0.27 0.50 0.09 0.00 0.00 178.44 179.97 1if2 h LYS 84 N 0.48 0.52 -0.83 1.13 1.63 -1.02 -0.13 116.57 118.35 1if2 h LYS 84 Ca 0.12 -0.03 0.09 0.00 -0.85 0.00 0.00 60.65 59.98 1if2 h LYS 84 Cb 0.27 -0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 31.72 1if2 h LYS 84 CO -0.00 0.34 0.54 0.22 -3.45 0.00 0.00 179.45 177.10 1if2 h ASP 85 N 0.54 0.72 -0.37 4.20 3.58 -1.09 -1.38 116.42 122.61 1if2 h ASP 85 Ca 0.21 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1if2 h ASP 85 Cb 0.07 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1if2 h ASP 85 CO -0.12 0.44 0.00 2.30 -2.88 0.00 0.00 179.24 178.98 1if2 n ILE 86 N -4.51 0.54 -0.12 2.25 -5.35 -0.78 -4.92 119.36 106.47 1if2 n ILE 86 Ca 0.14 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1if2 n ILE 86 Cb 0.30 0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 1if2 n ILE 86 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1if2 n GLY 87 N 1.06 0.94 3.53 3.28 0.00 -0.52 -5.07 105.19 108.41 1if2 n GLY 87 Ca 0.13 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1if2 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1if2 s VAL 88 N -2.00 4.64 -0.06 1.61 1.01 -0.13 -4.96 120.40 120.51 1if2 s VAL 88 Ca 0.00 -0.07 0.19 0.00 0.00 0.00 0.00 61.98 62.11 1if2 s VAL 88 Cb 0.00 -3.15 0.38 0.00 0.00 0.00 0.00 36.38 33.61 1if2 s VAL 88 CO 0.00 0.36 1.17 0.00 0.00 0.00 0.00 175.10 176.63 1if2 n HIS 89 N 4.49 0.00 -4.35 5.22 1.44 -1.26 -3.32 115.22 117.44 1if2 n HIS 89 Ca -0.16 -0.74 -0.22 0.00 -2.01 0.00 0.00 57.72 54.59 1if2 n HIS 89 Cb 0.52 -0.17 -0.13 0.00 0.12 0.00 0.00 29.99 30.33 1if2 n HIS 89 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1if2 s TRP 90 N -0.98 1.54 -0.09 -1.40 0.52 -1.26 -0.92 118.94 116.35 1if2 s TRP 90 Ca 0.32 -0.40 -0.16 0.00 0.02 0.00 0.00 56.10 55.88 1if2 s TRP 90 Cb 0.35 -0.88 0.04 0.00 -1.15 0.00 0.00 33.47 31.82 1if2 s TRP 90 CO -0.12 0.11 0.40 0.54 0.02 0.00 0.00 176.95 177.90 1if2 s VAL 91 N -1.03 0.02 -0.14 4.03 0.11 -0.60 -1.70 120.40 121.08 1if2 s VAL 91 Ca 0.04 -0.18 -0.14 0.00 -2.93 0.00 0.00 61.98 58.76 1if2 s VAL 91 Cb -0.09 -0.63 -0.05 0.00 -1.53 0.00 0.00 36.38 34.08 1if2 s VAL 91 CO 0.03 -0.10 0.32 -0.63 -3.33 0.00 0.00 175.10 171.39 1if2 s ILE 92 N -0.50 5.27 0.05 7.04 1.01 -0.45 -1.10 121.20 132.52 1if2 s ILE 92 Ca -0.06 0.61 0.04 0.00 0.00 0.00 0.00 60.65 61.24 1if2 s ILE 92 Cb -0.04 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 1if2 s ILE 92 CO 0.03 0.41 -0.12 -0.76 0.00 0.00 0.00 174.94 174.49 1if2 s LEU 93 N 0.28 2.24 -0.75 2.97 1.43 -0.07 -3.51 118.68 121.26 1if2 s LEU 93 Ca 0.18 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1if2 s LEU 93 Cb -0.14 -0.44 0.00 0.00 0.03 0.00 0.00 46.19 45.64 1if2 s LEU 93 CO 0.06 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.17 1if2 n GLY 94 N 1.53 0.26 3.75 -3.19 0.00 -1.26 -1.45 105.19 104.83 1if2 n GLY 94 Ca -0.20 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 1if2 n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1if2 n HIS 95 N -3.72 2.48 -0.34 1.61 -0.00 -1.26 -4.36 115.22 109.63 1if2 n HIS 95 Ca -0.10 0.43 0.20 0.00 0.46 0.00 0.00 57.72 58.71 1if2 n HIS 95 Cb 0.51 -2.40 0.44 0.00 -0.12 0.00 0.00 29.99 28.42 1if2 n HIS 95 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1if2 h SER 96 N 1.73 0.57 -0.11 0.26 0.87 -1.94 0.53 113.55 115.45 1if2 h SER 96 Ca -0.51 0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.09 1if2 h SER 96 Cb 1.29 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.26 1if2 h SER 96 CO 0.58 0.10 -0.14 -0.33 -0.53 0.00 0.00 176.83 176.51 1if2 h GLU 97 N 0.49 0.47 -0.01 2.24 5.08 -1.99 0.88 114.58 121.74 1if2 h GLU 97 Ca 0.62 -0.14 -0.25 0.00 -1.00 0.00 0.00 59.36 58.60 1if2 h GLU 97 Cb 1.36 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.58 1if2 h GLU 97 CO -0.39 0.60 -0.99 0.00 -1.00 0.00 0.00 179.01 177.24 1if2 h ARG 98 N 0.43 0.58 -0.43 2.33 3.08 -1.28 -0.51 114.38 118.58 1if2 h ARG 98 Ca 0.08 -0.62 -0.05 0.00 0.07 0.00 0.00 59.98 59.46 1if2 h ARG 98 Cb 0.50 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 1if2 h ARG 98 CO 0.03 1.23 0.07 0.00 -1.07 0.00 0.00 179.97 180.23 1if2 h ARG 99 N 0.33 0.66 0.00 0.04 3.08 -0.94 -1.98 114.38 115.57 1if2 h ARG 99 Ca -0.10 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 59.73 1if2 h ARG 99 Cb 1.63 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.57 1if2 h ARG 99 CO 0.19 0.63 -0.47 1.15 -1.07 0.00 0.00 179.97 180.39 1if2 h THR 100 N 0.64 1.01 0.01 2.04 2.02 -0.81 -3.35 112.91 114.47 1if2 h THR 100 Ca 0.14 -1.92 -0.28 0.00 0.77 0.00 0.00 66.41 65.11 1if2 h THR 100 Cb 0.30 2.08 -0.05 0.00 -1.74 0.00 0.00 68.15 68.74 1if2 h THR 100 CO 0.00 0.34 -1.63 1.88 0.37 0.00 0.00 175.52 176.49 1if2 h TYR 101 N -1.00 0.02 -0.16 3.16 0.05 -1.20 -3.40 116.97 114.43 1if2 h TYR 101 Ca -0.11 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.59 1if2 h TYR 101 Cb 0.89 -0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.59 1if2 h TYR 101 CO 0.12 1.03 -0.15 0.66 -1.05 0.00 0.00 178.16 178.77 1if2 n TYR 102 N -3.10 0.53 -1.88 4.88 4.01 -0.77 -5.01 117.16 115.82 1if2 n TYR 102 Ca -0.15 -1.29 -0.14 0.00 -0.16 0.00 0.00 57.90 56.16 1if2 n TYR 102 Cb 1.04 -0.32 -0.03 0.00 -0.31 0.00 0.00 39.34 39.72 1if2 n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1if2 n GLY 103 N -1.08 0.53 3.55 2.72 0.00 -1.11 -4.90 105.19 104.90 1if2 n GLY 103 Ca 0.23 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1if2 n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1if2 s GLU 104 N -4.02 3.46 0.84 1.61 2.02 -1.03 -5.00 118.70 116.57 1if2 s GLU 104 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 54.97 54.89 1if2 s GLU 104 Cb 0.00 -3.94 0.14 0.00 0.10 0.00 0.00 34.13 30.43 1if2 s GLU 104 CO 0.00 -1.20 1.17 0.95 0.02 0.00 0.00 175.26 176.20 1if2 s THR 105 N 3.56 2.09 0.24 3.63 -4.23 -1.26 -4.31 115.64 115.36 1if2 s THR 105 Ca 0.33 -0.19 -0.06 0.00 -1.18 0.00 0.00 61.69 60.59 1if2 s THR 105 Cb -0.11 -2.90 0.23 0.00 1.34 0.00 0.00 72.50 71.06 1if2 s THR 105 CO 0.24 0.00 1.88 0.44 -0.54 0.00 0.00 174.62 176.64 1if2 h ASP 106 N -1.11 0.97 -0.48 3.99 3.32 -1.98 -1.17 116.42 119.97 1if2 h ASP 106 Ca -0.43 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 1if2 h ASP 106 Cb 1.27 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 1if2 h ASP 106 CO 0.46 0.65 0.15 -0.33 -1.72 0.00 0.00 179.24 178.46 1if2 h GLU 107 N 1.13 0.74 -0.47 3.56 4.39 -1.94 0.28 114.58 122.27 1if2 h GLU 107 Ca 0.37 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 1if2 h GLU 107 Cb 0.04 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1if2 h GLU 107 CO -0.13 0.70 0.23 0.82 -1.16 0.00 0.00 179.01 179.46 1if2 h ILE 108 N 0.63 1.19 -0.24 3.13 2.04 -1.79 -1.31 117.51 121.17 1if2 h ILE 108 Ca 0.15 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 1if2 h ILE 108 Cb 0.27 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1if2 h ILE 108 CO -0.00 0.21 0.06 0.58 0.00 0.00 0.00 178.15 179.00 1if2 h VAL 109 N 0.62 1.21 -0.93 1.67 2.07 -1.07 -1.27 116.25 118.55 1if2 h VAL 109 Ca 0.16 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1if2 h VAL 109 Cb 0.12 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1if2 h VAL 109 CO -0.02 0.21 0.61 0.00 0.02 0.00 0.00 177.57 178.40 1if2 h ALA 110 N 0.88 1.39 -0.45 1.67 0.00 -0.80 0.20 119.26 122.14 1if2 h ALA 110 Ca 0.08 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1if2 h ALA 110 Cb 0.27 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1if2 h ALA 110 CO -0.00 0.53 0.01 -0.56 0.00 0.00 0.00 179.25 179.23 1if2 h GLN 111 N 1.19 0.79 -0.41 0.00 3.07 -0.98 -1.27 115.11 117.50 1if2 h GLN 111 Ca 0.36 -0.25 -0.01 0.00 0.09 0.00 0.00 58.65 58.84 1if2 h GLN 111 Cb -0.03 -0.07 -0.02 0.00 0.08 0.00 0.00 27.48 27.44 1if2 h GLN 111 CO -0.10 0.85 0.21 0.87 0.09 0.00 0.00 178.83 180.74 1if2 h LYS 112 N 0.64 0.59 -0.61 0.06 1.57 -0.72 -1.40 116.57 116.69 1if2 h LYS 112 Ca 0.13 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1if2 h LYS 112 Cb 0.49 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1if2 h LYS 112 CO 0.02 0.50 0.36 0.28 -0.57 0.00 0.00 179.45 180.04 1if2 h VAL 113 N 0.53 1.18 -0.15 0.50 2.07 -0.82 -0.71 116.25 118.86 1if2 h VAL 113 Ca 0.14 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.25 1if2 h VAL 113 Cb 0.10 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1if2 h VAL 113 CO -0.02 0.19 0.04 -1.28 0.02 0.00 0.00 177.57 176.53 1if2 h SER 114 N 0.83 0.04 -0.60 0.57 0.87 -1.08 -0.50 113.55 113.69 1if2 h SER 114 Ca 0.22 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 1if2 h SER 114 Cb -0.01 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 1if2 h SER 114 CO -0.04 0.05 0.29 -0.33 -0.53 0.00 0.00 176.83 176.27 1if2 h GLU 115 N 0.11 0.86 -0.47 2.24 4.39 -1.04 -1.40 114.58 119.28 1if2 h GLU 115 Ca 0.06 -0.13 0.04 0.00 0.34 0.00 0.00 59.36 59.68 1if2 h GLU 115 Cb 0.04 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.50 1if2 h GLU 115 CO -0.07 0.70 0.23 0.00 -1.16 0.00 0.00 179.01 178.71 1if2 h ALA 116 N 1.12 0.59 -0.64 3.43 0.00 -0.85 -1.15 119.26 121.76 1if2 h ALA 116 Ca 0.21 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1if2 h ALA 116 Cb 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1if2 h ALA 116 CO -0.03 -0.12 0.41 0.00 0.00 0.00 0.00 179.25 179.51 1if2 h LYS 118 N 0.87 0.69 -0.26 0.00 1.57 -0.96 -0.64 116.57 117.85 1if2 h LYS 118 Ca 0.23 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1if2 h LYS 118 Cb -0.06 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.09 1if2 h LYS 118 CO -0.05 0.46 0.00 1.04 -0.57 0.00 0.00 179.45 180.33 1if2 n GLN 119 N -4.45 1.64 -0.63 3.15 6.02 -0.46 -4.91 117.38 117.73 1if2 n GLN 119 Ca 0.05 -0.98 0.00 0.00 -0.01 0.00 0.00 57.00 56.05 1if2 n GLN 119 Cb 0.05 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.07 1if2 n GLN 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1if2 n GLY 120 N 0.96 0.64 3.86 1.08 0.00 -0.25 -5.05 105.19 106.44 1if2 n GLY 120 Ca 0.10 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 1if2 n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1if2 s PHE 121 N -2.00 3.56 -0.09 1.61 0.40 -0.27 -4.97 117.98 116.22 1if2 s PHE 121 Ca 0.00 1.34 -0.19 0.00 -0.60 0.00 0.00 56.93 57.49 1if2 s PHE 121 Cb 0.00 -2.74 -0.04 0.00 0.51 0.00 0.00 43.02 40.75 1if2 s PHE 121 CO 0.00 -0.56 0.51 -1.64 0.70 0.00 0.00 175.22 174.23 1if2 s MET 122 N -4.77 4.32 -0.05 0.44 -1.94 -0.10 -4.50 119.30 112.71 1if2 s MET 122 Ca 0.56 0.53 0.06 0.00 -1.71 0.00 0.00 55.69 55.13 1if2 s MET 122 Cb -0.11 -3.41 -0.02 0.00 2.01 0.00 0.00 34.83 33.31 1if2 s MET 122 CO 0.46 0.22 -0.23 0.08 -0.01 0.00 0.00 175.02 175.54 1if2 s VAL 123 N 0.40 2.29 -0.40 -6.03 1.01 0.54 -1.56 120.40 116.65 1if2 s VAL 123 Ca 0.28 -1.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 1if2 s VAL 123 Cb -0.16 -1.84 0.06 0.00 0.00 0.00 0.00 36.38 34.44 1if2 s VAL 123 CO 0.12 0.57 0.23 -0.63 0.00 0.00 0.00 175.10 175.40 1if2 s ILE 124 N -0.38 4.25 -0.24 2.22 1.01 -0.26 -0.67 121.20 127.13 1if2 s ILE 124 Ca 0.03 -1.25 -0.11 0.00 0.00 0.00 0.00 60.65 59.32 1if2 s ILE 124 Cb -0.12 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 1if2 s ILE 124 CO 0.02 -0.41 0.20 0.00 0.00 0.00 0.00 174.94 174.74 1if2 s ALA 125 N 1.45 3.59 -0.10 9.38 0.00 -0.14 -0.89 121.76 135.05 1if2 s ALA 125 Ca 0.02 -0.88 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 1if2 s ALA 125 Cb -0.22 -2.39 -0.05 0.00 0.00 0.00 0.00 23.12 20.46 1if2 s ALA 125 CO 0.03 -0.27 0.23 0.00 0.00 0.00 0.00 175.76 175.75 1if2 s ILE 127 N -0.79 0.30 0.00 0.00 -4.36 -0.48 -4.70 121.20 111.17 1if2 s ILE 127 Ca 0.17 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.66 1if2 s ILE 127 Cb -0.13 -1.88 0.00 0.00 1.25 0.00 0.00 42.46 41.70 1if2 s ILE 127 CO 0.06 -0.65 0.00 0.61 0.24 0.00 0.00 174.94 175.20 1if2 n GLY 128 N -0.06 3.46 3.97 6.27 0.00 -1.26 -1.08 105.19 116.48 1if2 n GLY 128 Ca -0.09 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.00 1if2 n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1if2 s GLU 129 N -2.08 3.36 0.68 1.61 1.03 -1.26 -4.74 118.70 117.29 1if2 s GLU 129 Ca 0.00 -0.82 -0.03 0.00 0.03 0.00 0.00 54.97 54.15 1if2 s GLU 129 Cb 0.00 -2.86 0.08 0.00 -0.80 0.00 0.00 34.13 30.55 1if2 s GLU 129 CO 0.00 0.37 0.95 0.95 -1.33 0.00 0.00 175.26 176.20 1if2 s THR 130 N -2.02 2.34 0.28 1.83 -4.23 -1.26 -1.01 115.64 111.56 1if2 s THR 130 Ca 0.36 -0.47 -0.01 0.00 -1.18 0.00 0.00 61.69 60.39 1if2 s THR 130 Cb -0.09 -2.87 0.15 0.00 1.34 0.00 0.00 72.50 71.02 1if2 s THR 130 CO 0.29 0.00 1.81 0.25 -0.54 0.00 0.00 174.62 176.44 1if2 h LEU 131 N -0.44 0.75 -0.37 4.79 5.85 -1.98 -1.46 115.31 122.45 1if2 h LEU 131 Ca -0.41 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.14 1if2 h LEU 131 Cb 1.29 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1if2 h LEU 131 CO 0.50 0.76 0.15 1.56 -0.34 0.00 0.00 178.44 181.08 1if2 h GLN 132 N 0.76 0.55 -0.43 1.25 7.50 -1.99 -0.57 115.11 122.19 1if2 h GLN 132 Ca 0.16 -0.10 -0.05 0.00 0.50 0.00 0.00 58.65 59.17 1if2 h GLN 132 Cb 0.33 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 27.75 1if2 h GLN 132 CO 0.00 0.53 0.07 1.96 -1.50 0.00 0.00 178.83 179.90 1if2 h GLN 133 N 0.46 0.71 -0.47 1.46 4.20 -1.86 -2.27 115.11 117.33 1if2 h GLN 133 Ca 0.12 -0.19 0.04 0.00 0.06 0.00 0.00 58.65 58.69 1if2 h GLN 133 Cb 0.18 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 1if2 h GLN 133 CO -0.01 0.74 0.22 -0.09 -0.67 0.00 0.00 178.83 179.02 1if2 h ARG 134 N 0.57 0.43 0.00 1.46 9.65 -1.10 0.11 114.38 125.50 1if2 h ARG 134 Ca 0.13 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1if2 h ARG 134 Cb 0.37 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.85 1if2 h ARG 134 CO 0.01 0.28 -0.00 0.93 2.80 0.00 0.00 179.97 183.99 1if2 h GLU 135 N 0.44 0.00 -0.58 0.20 4.39 -0.87 -2.27 114.58 115.89 1if2 h GLU 135 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1if2 h GLU 135 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1if2 h GLU 135 CO -0.16 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.69 1if2 n ALA 136 N -2.09 2.74 -3.83 3.43 0.00 -0.87 -4.92 120.51 114.97 1if2 n ALA 136 Ca 0.00 -1.06 -0.29 0.00 0.00 0.00 0.00 53.44 52.10 1if2 n ALA 136 Cb 0.29 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.78 1if2 n ALA 136 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1if2 n ASN 137 N 0.86 -5.24 -0.74 0.00 4.13 -0.85 -4.89 115.26 108.53 1if2 n ASN 137 Ca 0.18 -0.71 0.06 0.00 1.68 0.00 0.00 54.58 55.80 1if2 n ASN 137 Cb 0.59 -4.16 0.17 0.00 -1.54 0.00 0.00 39.78 34.84 1if2 n ASN 137 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1if2 n GLN 138 N -4.76 2.78 -0.09 3.52 6.02 0.37 -4.74 117.38 120.49 1if2 n GLN 138 Ca 0.04 -2.11 -0.06 0.00 -0.01 0.00 0.00 57.00 54.85 1if2 n GLN 138 Cb 0.53 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.48 1if2 n GLN 138 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1if2 h THR 139 N 2.37 0.51 -0.19 5.09 2.02 -1.84 -0.82 112.91 120.05 1if2 h THR 139 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1if2 h THR 139 Cb 0.76 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1if2 h THR 139 CO 0.00 0.00 0.12 0.00 0.37 0.00 0.00 175.52 176.01 1if2 h ALA 140 N 1.14 0.24 -0.51 6.16 0.00 -1.95 -1.06 119.26 123.28 1if2 h ALA 140 Ca 0.17 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1if2 h ALA 140 Cb 0.37 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1if2 h ALA 140 CO -0.40 -0.27 0.31 -0.22 0.00 0.00 0.00 179.25 178.67 1if2 h LYS 141 N 0.25 0.60 0.32 0.00 3.64 -1.83 -0.45 116.57 119.10 1if2 h LYS 141 Ca 0.07 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1if2 h LYS 141 Cb -0.01 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1if2 h LYS 141 CO -0.01 0.40 -0.15 0.28 -2.27 0.00 0.00 179.45 177.69 1if2 h VAL 142 N 0.62 0.70 -0.54 2.00 2.07 -0.79 -0.49 116.25 119.81 1if2 h VAL 142 Ca 0.20 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 1if2 h VAL 142 Cb -0.00 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1if2 h VAL 142 CO -0.08 0.08 0.15 -0.37 0.02 0.00 0.00 177.57 177.38 1if2 h VAL 143 N -0.66 1.22 -0.02 2.57 -1.51 -1.09 -1.15 116.25 115.60 1if2 h VAL 143 Ca -0.04 -0.77 -0.14 0.00 -1.23 0.00 0.00 66.70 64.52 1if2 h VAL 143 Cb 0.47 0.64 -0.02 0.00 -2.13 0.00 0.00 31.29 30.25 1if2 h VAL 143 CO 0.07 0.29 -0.64 -0.07 -1.23 0.00 0.00 177.57 176.00 1if2 h LEU 144 N 0.80 0.07 -0.47 4.19 3.38 -1.06 -1.94 115.31 120.27 1if2 h LEU 144 Ca 0.18 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 1if2 h LEU 144 Cb 0.26 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1if2 h LEU 144 CO -0.01 0.69 -0.21 0.28 0.09 0.00 0.00 178.44 179.28 1if2 h SER 145 N 0.04 1.01 -0.68 -0.43 0.02 -0.43 0.11 113.55 113.19 1if2 h SER 145 Ca -0.01 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 60.53 1if2 h SER 145 Cb 1.13 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 1if2 h SER 145 CO 0.09 1.18 0.37 1.56 -1.14 0.00 0.00 176.83 178.89 1if2 h GLN 146 N 0.83 0.96 -0.29 3.45 4.20 -1.16 -1.83 115.11 121.26 1if2 h GLN 146 Ca 0.11 -0.12 -0.18 0.00 0.06 0.00 0.00 58.65 58.52 1if2 h GLN 146 Cb 0.79 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1if2 h GLN 146 CO 0.07 0.72 -0.53 1.15 -0.67 0.00 0.00 178.83 179.57 1if2 h THR 147 N 0.94 1.27 0.00 -0.54 2.02 -1.22 -2.97 112.91 112.42 1if2 h THR 147 Ca 0.24 -1.71 -0.07 0.00 0.77 0.00 0.00 66.41 65.64 1if2 h THR 147 Cb 0.05 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1if2 h THR 147 CO -0.04 0.56 -0.31 0.77 0.37 0.00 0.00 175.52 176.87 1if2 h SER 148 N 0.67 0.00 -0.34 4.18 4.64 -0.91 0.49 113.55 122.28 1if2 h SER 148 Ca 0.02 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 1if2 h SER 148 Cb 1.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 1if2 h SER 148 CO 0.12 0.31 -0.05 0.00 -0.87 0.00 0.00 176.83 176.34 1if2 h ALA 149 N 1.69 1.11 -0.15 5.18 0.00 -1.25 -0.86 119.26 124.97 1if2 h ALA 149 Ca -0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1if2 h ALA 149 Cb 0.94 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1if2 h ALA 149 CO 0.04 0.56 -0.29 0.82 0.00 0.00 0.00 179.25 180.38 1if2 h ILE 150 N 0.68 1.36 -0.68 0.00 2.04 -1.28 -3.25 117.51 116.37 1if2 h ILE 150 Ca 0.13 -1.55 0.06 0.00 1.00 0.00 0.00 64.86 64.49 1if2 h ILE 150 Cb 0.49 1.99 -0.04 0.00 -0.74 0.00 0.00 36.82 38.52 1if2 h ILE 150 CO 0.02 0.46 0.45 0.00 0.00 0.00 0.00 178.15 179.09 1if2 h ALA 151 N 0.56 1.71 -0.01 1.87 0.00 -0.53 -2.11 119.26 120.75 1if2 h ALA 151 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1if2 h ALA 151 Cb 0.89 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1if2 h ALA 151 CO 0.07 0.19 0.01 0.00 0.00 0.00 0.00 179.25 179.52 1if2 h ALA 152 N 1.63 1.45 -0.03 0.00 0.00 -1.20 -2.01 119.26 119.10 1if2 h ALA 152 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1if2 h ALA 152 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1if2 h ALA 152 CO -0.09 -0.01 -0.08 1.63 0.00 0.00 0.00 179.25 180.70 1if2 n LYS 153 N -3.72 2.14 -4.20 0.00 4.76 -0.80 -4.99 118.16 111.35 1if2 n LYS 153 Ca -0.03 -1.77 -0.24 0.00 -2.87 0.00 0.00 58.31 53.41 1if2 n LYS 153 Cb 0.09 -1.46 -0.06 0.00 -1.84 0.00 0.00 35.03 31.75 1if2 n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1if2 s LEU 154 N -2.08 3.46 0.31 -0.35 1.43 -0.76 -4.81 118.68 115.88 1if2 s LEU 154 Ca 0.27 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1if2 s LEU 154 Cb 0.20 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 1if2 s LEU 154 CO 0.35 0.02 0.46 0.28 0.23 0.00 0.00 176.35 177.68 1if2 s THR 155 N -2.06 4.71 0.21 5.49 -1.32 -1.26 -4.99 115.64 116.42 1if2 s THR 155 Ca 0.31 -0.86 -0.09 0.00 -1.21 0.00 0.00 61.69 59.83 1if2 s THR 155 Cb -0.08 -3.67 0.15 0.00 -1.51 0.00 0.00 72.50 67.39 1if2 s THR 155 CO 0.21 -0.31 1.84 0.50 -2.21 0.00 0.00 174.62 174.65 1if2 h LYS 156 N 0.93 0.81 0.00 7.08 3.64 -1.96 -1.97 116.57 125.10 1if2 h LYS 156 Ca -0.49 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 58.82 1if2 h LYS 156 Cb 1.24 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1if2 h LYS 156 CO 0.58 0.54 -0.08 -0.44 -2.27 0.00 0.00 179.45 177.77 1if2 h ASP 157 N 0.83 0.00 0.80 4.20 5.19 -2.01 -2.79 116.42 122.65 1if2 h ASP 157 Ca 0.29 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 1if2 h ASP 157 Cb 0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.57 1if2 h ASP 157 CO -0.13 0.08 0.00 0.00 -3.12 0.00 0.00 179.24 176.07 1if2 h ALA 158 N 1.92 1.00 0.00 3.45 0.00 -1.74 -2.94 119.26 120.94 1if2 h ALA 158 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1if2 h ALA 158 Cb 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1if2 h ALA 158 CO 0.01 0.00 -0.02 -1.49 0.00 0.00 0.00 179.25 177.75 1if2 h TRP 159 N 0.00 0.00 0.00 0.00 4.06 -1.58 0.21 115.95 118.64 1if2 h TRP 159 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1if2 h TRP 159 Cb 0.40 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.56 1if2 h TRP 159 CO 0.00 0.02 -0.07 -0.91 -3.56 0.00 0.00 178.44 173.92 1if2 h ASN 160 N 0.00 0.00 -0.12 -3.49 2.35 -1.72 -2.70 115.58 109.90 1if2 h ASN 160 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1if2 h ASN 160 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1if2 h ASN 160 CO 0.00 0.07 0.00 0.00 -1.65 0.00 0.00 177.43 175.85 1if2 n GLN 161 N -3.59 2.34 -3.99 0.81 6.02 0.06 -4.97 117.38 114.06 1if2 n GLN 161 Ca -0.02 -1.96 -0.36 0.00 -0.01 0.00 0.00 57.00 54.64 1if2 n GLN 161 Cb 0.18 -1.47 -0.07 0.00 1.02 0.00 0.00 30.24 29.90 1if2 n GLN 161 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1if2 s VAL 162 N -1.88 5.15 -0.09 5.09 1.01 -1.02 -0.34 120.40 128.33 1if2 s VAL 162 Ca 0.31 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.40 1if2 s VAL 162 Cb 0.21 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 33.34 1if2 s VAL 162 CO 0.31 0.58 -0.19 -0.69 0.00 0.00 0.00 175.10 175.11 1if2 s VAL 163 N -0.70 1.65 0.01 2.92 1.01 0.16 -4.59 120.40 120.85 1if2 s VAL 163 Ca 0.13 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 1if2 s VAL 163 Cb -0.12 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1if2 s VAL 163 CO 0.03 0.47 0.27 -0.76 0.00 0.00 0.00 175.10 175.11 1if2 s LEU 164 N 0.49 4.37 -0.21 3.92 1.43 -0.73 -0.97 118.68 126.98 1if2 s LEU 164 Ca -0.17 0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1if2 s LEU 164 Cb -0.17 -2.69 0.05 0.00 0.03 0.00 0.00 46.19 43.42 1if2 s LEU 164 CO 0.06 0.25 -0.06 0.00 0.23 0.00 0.00 176.35 176.84 1if2 s ALA 165 N -1.31 1.84 -0.23 4.21 0.00 -0.09 -0.06 121.76 126.12 1if2 s ALA 165 Ca 0.28 -1.21 -0.21 0.00 0.00 0.00 0.00 51.96 50.83 1if2 s ALA 165 Cb -0.13 -1.34 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 1if2 s ALA 165 CO 0.16 -1.06 0.63 -0.47 0.00 0.00 0.00 175.76 175.03 1if2 s TYR 166 N 1.46 3.32 -0.28 0.00 5.04 0.81 -1.38 117.35 126.32 1if2 s TYR 166 Ca -0.04 0.86 -0.02 0.00 -2.44 0.00 0.00 57.07 55.43 1if2 s TYR 166 Cb -0.18 -2.83 0.09 0.00 0.35 0.00 0.00 41.96 39.40 1if2 s TYR 166 CO -0.07 -0.27 0.10 -1.21 -1.34 0.00 0.00 175.55 172.77 1if2 s GLU 167 N 2.27 0.49 0.26 4.97 2.02 -0.24 -1.23 118.70 127.24 1if2 s GLU 167 Ca 0.27 -0.75 -0.31 0.00 0.02 0.00 0.00 54.97 54.20 1if2 s GLU 167 Cb -0.16 -1.71 -0.13 0.00 0.10 0.00 0.00 34.13 32.24 1if2 s GLU 167 CO 0.09 -0.94 1.49 -0.35 0.02 0.00 0.00 175.26 175.57 1if2 n PRO 168 N 5.04 2.30 0.07 0.39 -0.04 -1.26 -4.37 135.00 137.12 1if2 n PRO 168 Ca -0.05 0.82 0.04 0.00 -0.04 0.00 0.00 63.50 64.27 1if2 n PRO 168 Cb 0.43 -2.53 0.45 0.00 -0.04 0.00 0.00 33.50 31.81 1if2 n PRO 168 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1if2 h VAL 169 N 3.18 1.10 0.00 0.52 2.07 -1.36 -1.20 116.25 120.57 1if2 h VAL 169 Ca -0.46 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1if2 h VAL 169 Cb 1.25 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1if2 h VAL 169 CO 0.78 0.12 0.00 -2.67 0.02 0.00 0.00 177.57 175.82 1if2 n TRP 170 N -4.44 0.69 1.06 1.57 4.27 -1.26 -2.10 117.44 117.23 1if2 n TRP 170 Ca 0.01 0.26 0.11 0.00 -3.89 0.00 0.00 57.50 54.00 1if2 n TRP 170 Cb 0.12 -0.92 0.08 0.00 -1.36 0.00 0.00 31.31 29.22 1if2 n TRP 170 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1if2 n ALA 171 N -1.73 3.48 -2.61 -1.67 0.00 -0.46 -4.65 120.51 112.87 1if2 n ALA 171 Ca 0.03 -0.59 -0.43 0.00 0.00 0.00 0.00 53.44 52.45 1if2 n ALA 171 Cb 0.25 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 1if2 n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1if2 s ILE 172 N -2.49 4.43 -0.20 0.00 1.01 -0.89 -2.20 121.20 120.86 1if2 s ILE 172 Ca 0.20 1.31 0.00 0.00 0.00 0.00 0.00 60.65 62.16 1if2 s ILE 172 Cb 0.18 -4.45 0.00 0.00 0.01 0.00 0.00 42.46 38.20 1if2 s ILE 172 CO 0.57 -0.70 0.00 0.61 0.00 0.00 0.00 174.94 175.42 1if2 n GLY 173 N 4.44 0.32 0.02 6.18 0.00 -1.26 -4.85 105.19 110.04 1if2 n GLY 173 Ca 0.10 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.19 1if2 n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1if2 n THR 174 N -2.33 0.09 -0.70 2.61 -2.24 -1.25 -4.96 114.28 105.50 1if2 n THR 174 Ca -0.02 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1if2 n THR 174 Cb 0.37 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 1if2 n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1if2 n GLY 175 N 1.37 1.17 3.29 3.38 0.00 -1.26 -4.97 105.19 108.16 1if2 n GLY 175 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 1if2 n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1if2 s LYS 176 N -0.17 3.87 0.60 1.61 1.02 -1.26 -5.02 119.74 120.38 1if2 s LYS 176 Ca 0.00 -3.05 -0.18 0.00 0.02 0.00 0.00 55.97 52.76 1if2 s LYS 176 Cb 0.00 -4.40 -0.03 0.00 -0.52 0.00 0.00 37.83 32.87 1if2 s LYS 176 CO 0.00 -1.25 1.19 0.54 -0.92 0.00 0.00 175.35 174.91 1if2 s VAL 177 N -0.93 2.70 0.54 3.17 0.11 -1.26 -4.19 120.40 120.53 1if2 s VAL 177 Ca 0.27 0.42 -0.19 0.00 -2.93 0.00 0.00 61.98 59.56 1if2 s VAL 177 Cb -0.10 -3.14 -0.06 0.00 -1.53 0.00 0.00 36.38 31.55 1if2 s VAL 177 CO -0.09 -0.11 1.07 0.00 -3.33 0.00 0.00 175.10 172.65 1if2 s ALA 178 N -1.68 2.76 0.72 1.54 0.00 -1.26 -5.01 121.76 118.83 1if2 s ALA 178 Ca 0.76 0.61 -0.11 0.00 0.00 0.00 0.00 51.96 53.22 1if2 s ALA 178 Cb -0.29 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.58 1if2 s ALA 178 CO 0.34 -0.62 1.07 0.95 0.00 0.00 0.00 175.76 177.49 1if2 s THR 179 N -2.06 3.74 0.23 0.00 -4.23 -1.26 -4.83 115.64 107.23 1if2 s THR 179 Ca 0.68 0.57 -0.06 0.00 -1.18 0.00 0.00 61.69 61.70 1if2 s THR 179 Cb -0.19 -3.20 0.18 0.00 1.34 0.00 0.00 72.50 70.63 1if2 s THR 179 CO 0.27 -0.73 1.77 -0.65 -0.54 0.00 0.00 174.62 174.74 1if2 h PRO 180 N -0.86 0.55 -0.57 3.99 0.11 -1.95 -0.71 132.00 132.56 1if2 h PRO 180 Ca -0.44 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1if2 h PRO 180 Cb 1.22 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1if2 h PRO 180 CO 0.55 0.37 0.22 0.93 -0.21 0.00 0.00 178.00 179.85 1if2 h GLU 181 N 0.57 0.86 -0.26 1.05 3.07 -1.95 0.33 114.58 118.26 1if2 h GLU 181 Ca 0.36 -0.16 -0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1if2 h GLU 181 Cb 0.43 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1if2 h GLU 181 CO -0.30 0.75 0.15 1.96 -1.40 0.00 0.00 179.01 180.18 1if2 h GLN 182 N 0.79 0.35 -0.30 2.33 4.20 -1.66 -2.38 115.11 118.44 1if2 h GLN 182 Ca 0.19 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 1if2 h GLN 182 Cb 0.22 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1if2 h GLN 182 CO -0.01 0.28 0.09 0.00 -0.67 0.00 0.00 178.83 178.51 1if2 h ALA 183 N 1.05 0.40 -0.93 3.87 0.00 -1.12 -3.06 119.26 119.48 1if2 h ALA 183 Ca 0.09 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1if2 h ALA 183 Cb 0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1if2 h ALA 183 CO -0.02 0.05 0.61 0.37 0.00 0.00 0.00 179.25 180.25 1if2 h GLN 184 N 0.33 1.12 -0.65 0.00 5.75 -0.86 -0.27 115.11 120.53 1if2 h GLN 184 Ca 0.10 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.48 1if2 h GLN 184 Cb 0.26 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 1if2 h GLN 184 CO -0.00 0.74 0.20 1.05 -2.65 0.00 0.00 178.83 178.17 1if2 h GLU 185 N 1.15 1.02 -0.30 1.69 4.11 -1.38 0.00 114.58 120.87 1if2 h GLU 185 Ca 0.37 -0.22 -0.09 0.00 0.07 0.00 0.00 59.36 59.49 1if2 h GLU 185 Cb 0.03 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1if2 h GLU 185 CO -0.12 0.89 -0.16 0.28 0.07 0.00 0.00 179.01 179.98 1if2 h VAL 186 N 0.95 1.29 -0.93 -1.06 2.07 -1.32 -2.28 116.25 114.98 1if2 h VAL 186 Ca 0.21 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1if2 h VAL 186 Cb 0.30 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 1if2 h VAL 186 CO -0.01 0.40 0.58 0.45 0.02 0.00 0.00 177.57 179.02 1if2 h HIS 187 N 0.39 1.20 -0.49 1.57 3.86 -0.77 -0.77 115.15 120.13 1if2 h HIS 187 Ca 0.07 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 1if2 h HIS 187 Cb 0.69 -0.40 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 1if2 h HIS 187 CO 0.06 0.78 0.12 1.25 0.86 0.00 0.00 177.93 181.00 1if2 h LEU 188 N 1.27 0.74 -0.57 2.43 5.85 -0.99 -0.97 115.31 123.07 1if2 h LEU 188 Ca 0.34 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1if2 h LEU 188 Cb -0.09 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 1if2 h LEU 188 CO -0.07 0.78 0.35 0.25 -0.34 0.00 0.00 178.44 179.40 1if2 h LEU 189 N 0.66 0.68 -0.22 2.25 5.85 -0.93 -1.28 115.31 122.33 1if2 h LEU 189 Ca 0.15 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1if2 h LEU 189 Cb 0.32 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1if2 h LEU 189 CO 0.00 0.54 0.11 -0.07 -0.34 0.00 0.00 178.44 178.68 1if2 h LEU 190 N 0.77 0.28 -0.66 2.25 3.38 -1.04 -2.06 115.31 118.23 1if2 h LEU 190 Ca 0.20 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1if2 h LEU 190 Cb -0.02 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1if2 h LEU 190 CO -0.04 0.30 0.42 -0.09 0.09 0.00 0.00 178.44 179.12 1if2 h ARG 191 N 0.23 0.82 -0.64 1.13 2.43 -0.91 -1.15 114.38 116.30 1if2 h ARG 191 Ca 0.08 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1if2 h ARG 191 Cb 0.09 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1if2 h ARG 191 CO -0.01 0.54 0.38 0.87 -1.51 0.00 0.00 179.97 180.24 1if2 h LYS 192 N 0.85 0.87 -0.57 0.20 1.79 -1.22 0.77 116.57 119.25 1if2 h LYS 192 Ca 0.25 -0.08 0.01 0.00 -2.18 0.00 0.00 60.65 58.65 1if2 h LYS 192 Cb -0.04 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.40 1if2 h LYS 192 CO -0.08 0.63 0.37 2.35 -1.08 0.00 0.00 179.45 181.65 1if2 h TRP 193 N 0.86 0.71 -0.59 -1.35 7.01 -0.97 -0.22 115.95 121.40 1if2 h TRP 193 Ca 0.23 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.17 1if2 h TRP 193 Cb -0.01 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 26.79 1if2 h TRP 193 CO -0.02 0.44 0.09 0.28 -2.79 0.00 0.00 178.44 176.44 1if2 h VAL 194 N 0.76 1.26 -0.70 2.65 2.07 -0.89 0.59 116.25 121.99 1if2 h VAL 194 Ca 0.21 -1.00 0.03 0.00 0.82 0.00 0.00 66.70 66.76 1if2 h VAL 194 Cb -0.07 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1if2 h VAL 194 CO -0.05 0.37 0.44 -1.28 0.02 0.00 0.00 177.57 177.07 1if2 h SER 195 N 0.88 0.74 0.33 0.57 0.87 -0.44 0.14 113.55 116.64 1if2 h SER 195 Ca 0.18 -0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.45 1if2 h SER 195 Cb 0.43 -0.16 0.02 0.00 -0.44 0.00 0.00 62.40 62.24 1if2 h SER 195 CO 0.01 0.51 -1.22 -0.33 -0.53 0.00 0.00 176.83 175.27 1if2 h GLU 196 N 0.87 0.47 0.00 2.24 5.08 -0.87 -3.09 114.58 119.29 1if2 h GLU 196 Ca 0.28 -0.67 -0.22 0.00 -1.00 0.00 0.00 59.36 57.74 1if2 h GLU 196 Cb -0.00 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 1if2 h GLU 196 CO -0.10 1.29 -1.70 0.09 -1.00 0.00 0.00 179.01 177.59 1if2 n ASN 197 N -3.70 0.66 -0.05 1.42 3.02 0.18 -4.71 115.26 112.08 1if2 n ASN 197 Ca -0.11 0.30 -0.11 0.00 -0.03 0.00 0.00 54.58 54.62 1if2 n ASN 197 Cb 0.99 0.37 -0.04 0.00 -0.61 0.00 0.00 39.78 40.49 1if2 n ASN 197 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1if2 n ILE 198 N -2.86 0.76 0.00 2.41 2.08 0.36 -5.05 119.36 117.06 1if2 n ILE 198 Ca -0.15 -0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.07 1if2 n ILE 198 Cb 0.93 -1.70 0.00 0.00 -0.75 0.00 0.00 39.64 38.12 1if2 n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1if2 n GLY 199 N 2.33 3.59 0.15 7.39 0.00 -0.37 -4.93 105.19 113.36 1if2 n GLY 199 Ca -0.20 -0.52 -0.00 0.00 0.00 0.00 0.00 46.02 45.30 1if2 n GLY 199 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1if2 h THR 200 N 4.52 1.36 -0.32 2.61 1.35 -1.82 -1.93 112.91 118.67 1if2 h THR 200 Ca 0.00 -1.97 -0.16 0.00 -0.55 0.00 0.00 66.41 63.74 1if2 h THR 200 Cb 0.00 2.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 1if2 h THR 200 CO 0.00 0.55 -0.42 -2.24 -0.25 0.00 0.00 175.52 173.16 1if2 h ASP 201 N 0.00 0.86 -0.22 5.36 2.03 -1.94 -2.12 116.42 120.40 1if2 h ASP 201 Ca -0.01 -0.41 -0.03 0.00 -0.73 0.00 0.00 57.03 55.86 1if2 h ASP 201 Cb 1.03 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 39.28 1if2 h ASP 201 CO 0.07 1.17 0.02 0.58 -1.03 0.00 0.00 179.24 180.05 1if2 h VAL 202 N 0.65 1.24 -0.82 4.15 2.07 -1.87 -3.10 116.25 118.58 1if2 h VAL 202 Ca 0.05 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.75 1if2 h VAL 202 Cb 0.99 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 1if2 h VAL 202 CO 0.09 0.26 0.54 0.00 0.02 0.00 0.00 177.57 178.48 1if2 h ALA 203 N 0.82 1.43 0.00 1.67 0.00 -1.31 -1.99 119.26 119.88 1if2 h ALA 203 Ca 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1if2 h ALA 203 Cb 0.37 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1if2 h ALA 203 CO 0.01 0.52 -0.29 0.00 0.00 0.00 0.00 179.25 179.49 1if2 h ALA 204 N 1.49 1.50 -0.00 0.00 0.00 -1.30 -3.08 119.26 117.88 1if2 h ALA 204 Ca 0.31 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1if2 h ALA 204 Cb -0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1if2 h ALA 204 CO -0.07 0.36 -0.93 1.63 0.00 0.00 0.00 179.25 180.24 1if2 n LYS 205 N -4.17 0.30 -2.32 0.00 5.02 -0.98 -4.53 118.16 111.48 1if2 n LYS 205 Ca -0.02 -0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 55.78 1if2 n LYS 205 Cb 0.34 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 1if2 n LYS 205 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1if2 s LEU 206 N -2.93 4.41 -0.14 -0.35 2.96 -0.78 -4.87 118.68 116.99 1if2 s LEU 206 Ca 0.09 2.23 -0.20 0.00 -0.22 0.00 0.00 54.13 56.03 1if2 s LEU 206 Cb 0.16 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.21 1if2 s LEU 206 CO 0.82 -0.47 0.55 -0.13 -1.32 0.00 0.00 176.35 175.80 1if2 s ARG 207 N 0.27 4.31 -0.21 1.98 3.00 -1.26 -4.91 118.95 122.13 1if2 s ARG 207 Ca 0.57 0.55 0.01 0.00 0.00 0.00 0.00 55.73 56.86 1if2 s ARG 207 Cb -0.33 -3.48 0.04 0.00 0.00 0.00 0.00 34.95 31.18 1if2 s ARG 207 CO 0.34 0.02 -0.11 0.42 0.00 0.00 0.00 175.30 175.98 1if2 s ILE 208 N 1.04 1.76 0.22 1.52 1.01 -1.26 -1.77 121.20 123.73 1if2 s ILE 208 Ca 0.28 -1.12 0.02 0.00 0.00 0.00 0.00 60.65 59.83 1if2 s ILE 208 Cb -0.16 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 1if2 s ILE 208 CO 0.12 0.15 0.37 -0.76 0.00 0.00 0.00 174.94 174.82 1if2 s LEU 209 N 1.34 4.26 -0.07 2.97 1.43 0.92 -1.23 118.68 128.29 1if2 s LEU 209 Ca -0.02 0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1if2 s LEU 209 Cb -0.17 -3.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.00 1if2 s LEU 209 CO -0.08 -0.06 -0.04 -0.47 0.23 0.00 0.00 176.35 175.93 1if2 s TYR 210 N -1.94 3.03 0.02 0.29 5.04 -0.55 -0.13 117.35 123.11 1if2 s TYR 210 Ca 0.36 0.09 -0.02 0.00 -2.44 0.00 0.00 57.07 55.06 1if2 s TYR 210 Cb -0.10 -1.74 -0.02 0.00 0.35 0.00 0.00 41.96 40.46 1if2 s TYR 210 CO 0.30 0.40 0.02 0.20 -1.34 0.00 0.00 175.55 175.13 1if2 s GLY 211 N -0.91 0.21 0.00 8.97 0.00 -0.37 -1.67 107.32 113.56 1if2 s GLY 211 Ca 0.13 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.32 1if2 s GLY 211 CO 0.02 -0.63 0.00 0.61 0.00 0.00 0.00 173.10 173.11 1if2 n GLY 212 N 1.36 1.84 2.30 0.20 0.00 -1.26 -4.09 105.19 105.55 1if2 n GLY 212 Ca -0.22 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.25 1if2 n GLY 212 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1if2 n SER 213 N 0.00 -4.67 -4.76 1.61 7.64 -0.93 -4.41 113.62 108.10 1if2 n SER 213 Ca 0.00 0.01 -0.41 0.00 1.01 0.00 0.00 58.87 59.48 1if2 n SER 213 Cb 0.00 -3.78 -0.03 0.00 -1.01 0.00 0.00 64.21 59.39 1if2 n SER 213 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1if2 s VAL 214 N -2.76 2.90 0.36 0.44 1.01 -1.26 -4.65 120.40 116.43 1if2 s VAL 214 Ca 0.00 0.84 0.07 0.00 0.00 0.00 0.00 61.98 62.89 1if2 s VAL 214 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1if2 s VAL 214 CO 0.00 0.18 0.26 0.54 0.00 0.00 0.00 175.10 176.08 1if2 s ASN 215 N -0.24 1.99 0.48 3.32 6.03 -1.26 -4.55 114.94 120.72 1if2 s ASN 215 Ca 0.51 -1.78 0.27 0.00 -1.03 0.00 0.00 52.86 50.84 1if2 s ASN 215 Cb -0.38 0.58 1.12 0.00 -3.03 0.00 0.00 41.25 39.54 1if2 s ASN 215 CO 0.47 -1.06 1.91 0.00 -2.03 0.00 0.00 177.10 176.39 1if2 h ALA 216 N 2.03 1.06 0.07 3.54 0.00 -1.93 -2.31 119.26 121.71 1if2 h ALA 216 Ca -0.26 -0.14 -0.29 0.00 0.00 0.00 0.00 54.91 54.22 1if2 h ALA 216 Cb 1.24 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1if2 h ALA 216 CO 0.39 0.20 -1.52 0.00 0.00 0.00 0.00 179.25 178.32 1if2 h ALA 217 N 1.84 0.42 -0.00 0.00 0.00 -1.96 -3.38 119.26 116.19 1if2 h ALA 217 Ca -0.00 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.72 1if2 h ALA 217 Cb 0.62 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1if2 h ALA 217 CO 0.02 1.28 -0.60 0.27 0.00 0.00 0.00 179.25 180.23 1if2 n ASN 218 N -3.33 0.95 -0.19 0.00 0.23 -1.15 -4.42 115.26 107.35 1if2 n ASN 218 Ca -0.15 -0.76 -0.05 0.00 -0.53 0.00 0.00 54.58 53.08 1if2 n ASN 218 Cb 1.03 0.48 0.04 0.00 -2.08 0.00 0.00 39.78 39.25 1if2 n ASN 218 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1if2 h ALA 219 N 3.25 0.71 -0.53 -2.53 0.00 -1.59 -2.79 119.26 115.78 1if2 h ALA 219 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1if2 h ALA 219 Cb 0.54 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1if2 h ALA 219 CO 0.00 0.07 0.15 0.00 0.00 0.00 0.00 179.25 179.47 1if2 h ALA 220 N 1.24 1.26 -0.20 0.00 0.00 -1.81 -1.25 119.26 118.49 1if2 h ALA 220 Ca 0.22 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1if2 h ALA 220 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1if2 h ALA 220 CO -0.09 0.52 -0.42 1.15 0.00 0.00 0.00 179.25 180.42 1if2 h THR 221 N 0.78 1.31 -0.20 0.00 2.02 -1.81 -2.21 112.91 112.79 1if2 h THR 221 Ca 0.18 -1.58 -0.08 0.00 0.77 0.00 0.00 66.41 65.69 1if2 h THR 221 Cb 0.26 1.61 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1if2 h THR 221 CO -0.01 0.49 -0.19 -0.07 0.37 0.00 0.00 175.52 176.12 1if2 h LEU 222 N 0.39 0.52 -2.26 2.58 3.38 -1.19 -3.24 115.31 115.49 1if2 h LEU 222 Ca 0.03 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 1if2 h LEU 222 Cb 0.90 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1if2 h LEU 222 CO 0.08 0.88 -0.05 0.22 0.09 0.00 0.00 178.44 179.66 1if2 h TYR 223 N 0.17 0.00 0.00 1.13 3.20 -1.11 -1.80 116.97 118.55 1if2 h TYR 223 Ca 0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1if2 h TYR 223 Cb 0.73 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.00 1if2 h TYR 223 CO 0.08 0.05 0.00 0.00 -1.64 0.00 0.00 178.16 176.65 1if2 h ALA 224 N 1.95 1.00 -2.60 1.82 0.00 -1.42 -3.44 119.26 116.57 1if2 h ALA 224 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 1if2 h ALA 224 Cb 0.19 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.01 1if2 h ALA 224 CO 0.01 0.00 0.44 0.15 0.00 0.00 0.00 179.25 179.85 1if2 s LYS 225 N -3.77 4.12 0.48 0.00 -0.14 -0.68 -4.95 119.74 114.80 1if2 s LYS 225 Ca -0.01 1.64 0.22 0.00 -1.36 0.00 0.00 55.97 56.45 1if2 s LYS 225 Cb 0.10 -2.60 1.22 0.00 -1.68 0.00 0.00 37.83 34.88 1if2 s LYS 225 CO 0.44 -0.21 2.02 -1.00 -0.76 0.00 0.00 175.35 175.84 1if2 h PRO 226 N 2.56 0.00 -0.40 -1.68 0.13 -1.89 -3.11 132.00 127.60 1if2 h PRO 226 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1if2 h PRO 226 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1if2 h PRO 226 CO 0.62 0.17 0.00 -0.25 -0.23 0.00 0.00 178.00 178.31 1if2 n ASP 227 N -3.90 3.58 -4.61 1.44 9.92 -1.26 -4.91 116.55 116.81 1if2 n ASP 227 Ca -0.02 -2.36 -0.38 0.00 -0.53 0.00 0.00 54.79 51.50 1if2 n ASP 227 Cb 0.26 -0.39 -0.10 0.00 -0.64 0.00 0.00 41.12 40.24 1if2 n ASP 227 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1if2 s ILE 228 N -1.66 5.30 -0.64 0.53 1.01 -1.18 -4.67 121.20 119.89 1if2 s ILE 228 Ca 0.35 0.24 0.14 0.00 0.00 0.00 0.00 60.65 61.38 1if2 s ILE 228 Cb 0.23 -3.55 0.44 0.00 0.01 0.00 0.00 42.46 39.59 1if2 s ILE 228 CO 0.16 0.26 1.37 0.59 0.00 0.00 0.00 174.94 177.32 1if2 n ASN 229 N 4.91 3.53 0.00 3.58 5.03 -0.37 -4.85 115.26 127.09 1if2 n ASN 229 Ca -0.13 -2.47 0.00 0.00 0.87 0.00 0.00 54.58 52.85 1if2 n ASN 229 Cb 0.52 -0.40 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 1if2 n ASN 229 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1if2 n GLY 230 N 0.16 0.90 2.99 7.41 0.00 -1.26 -1.98 105.19 113.41 1if2 n GLY 230 Ca 0.17 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 1if2 n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1if2 s PHE 231 N -2.05 0.31 -0.25 1.61 0.40 -0.68 -1.48 117.98 115.83 1if2 s PHE 231 Ca 0.00 -0.58 -0.05 0.00 -0.60 0.00 0.00 56.93 55.70 1if2 s PHE 231 Cb 0.00 -0.22 -0.01 0.00 0.51 0.00 0.00 43.02 43.30 1if2 s PHE 231 CO 0.00 -0.20 0.02 -1.17 0.70 0.00 0.00 175.22 174.57 1if2 s LEU 232 N -1.61 3.34 -0.11 -0.37 2.96 -0.67 -0.54 118.68 121.69 1if2 s LEU 232 Ca -0.14 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.33 1if2 s LEU 232 Cb -0.08 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 1if2 s LEU 232 CO -0.02 -0.08 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.04 1if2 s VAL 233 N 1.51 2.39 0.00 1.68 1.01 0.07 -4.07 120.40 122.99 1if2 s VAL 233 Ca 0.05 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1if2 s VAL 233 Cb -0.15 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1if2 s VAL 233 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1if2 n GLY 234 N 3.46 -0.02 0.37 4.51 0.00 -1.26 -1.00 105.19 111.25 1if2 n GLY 234 Ca -0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.97 1if2 n GLY 234 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1if2 h GLY 235 N 0.00 0.89 1.94 -0.02 0.00 -1.92 -0.50 103.07 103.46 1if2 h GLY 235 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1if2 h GLY 235 CO 0.00 0.08 0.00 0.00 0.00 0.00 0.00 176.54 176.62 1if2 n ALA 236 N -2.49 2.22 1.31 3.60 0.00 -1.26 -2.62 120.51 121.27 1if2 n ALA 236 Ca 0.15 -0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.63 1if2 n ALA 236 Cb 0.49 -1.42 0.53 0.00 0.00 0.00 0.00 19.45 19.04 1if2 n ALA 236 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1if2 n SER 237 N -1.47 0.56 -0.76 0.00 3.41 -0.19 -2.91 113.62 112.26 1if2 n SER 237 Ca 0.07 -0.54 0.11 0.00 -0.26 0.00 0.00 58.87 58.25 1if2 n SER 237 Cb 0.29 -0.03 0.30 0.00 -0.26 0.00 0.00 64.21 64.52 1if2 n SER 237 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1if2 n LEU 238 N -0.98 2.27 -4.35 1.04 4.77 -1.08 -4.91 117.00 113.77 1if2 n LEU 238 Ca 0.13 -0.98 -0.18 0.00 -0.03 0.00 0.00 56.01 54.94 1if2 n LEU 238 Cb 0.30 -0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 41.12 1if2 n LEU 238 CO 0.25 0.49 -0.42 -0.54 -1.33 0.00 0.00 177.39 175.85 1if2 s LYS 239 N -1.67 1.34 0.59 3.23 1.02 -1.14 -5.04 119.74 118.07 1if2 s LYS 239 Ca 0.34 -1.61 0.40 0.00 0.02 0.00 0.00 55.97 55.11 1if2 s LYS 239 Cb 0.19 -1.04 2.14 0.00 -0.52 0.00 0.00 37.83 38.59 1if2 s LYS 239 CO 0.27 0.13 2.21 -1.35 -0.92 0.00 0.00 175.35 175.69 1if2 h PRO 240 N 2.53 0.00 0.00 -1.68 0.11 -1.92 -2.13 132.00 128.91 1if2 h PRO 240 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1if2 h PRO 240 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1if2 h PRO 240 CO 0.63 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.81 1if2 n GLU 241 N -2.91 0.02 -0.06 1.05 4.71 -1.26 -1.92 120.64 120.27 1if2 n GLU 241 Ca -0.02 0.31 0.14 0.00 -0.01 0.00 0.00 57.16 57.57 1if2 n GLU 241 Cb 0.07 -1.50 0.54 0.00 -1.01 0.00 0.00 31.44 29.55 1if2 n GLU 241 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1if2 h PHE 242 N 0.00 0.34 -0.48 -0.32 3.57 -1.46 -1.25 116.94 117.33 1if2 h PHE 242 Ca 0.00 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1if2 h PHE 242 Cb 0.16 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 1if2 h PHE 242 CO 0.00 0.15 0.12 0.00 -2.23 0.00 0.00 178.31 176.35 1if2 h ARG 243 N 0.31 0.26 0.00 1.11 3.08 -1.64 -0.58 114.38 116.92 1if2 h ARG 243 Ca 0.27 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 1if2 h ARG 243 Cb 0.64 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 1if2 h ARG 243 CO -0.06 0.17 -0.01 -0.44 -1.07 0.00 0.00 179.97 178.56 1if2 h ASP 244 N 0.26 0.00 -0.22 7.04 3.32 -1.46 -1.99 116.42 123.38 1if2 h ASP 244 Ca 0.24 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 1if2 h ASP 244 Cb 0.29 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 1if2 h ASP 244 CO -0.29 0.01 -0.14 0.40 -1.72 0.00 0.00 179.24 177.50 1if2 h ILE 245 N 0.00 1.31 -0.46 0.35 2.04 -0.87 -1.70 117.51 118.18 1if2 h ILE 245 Ca -0.00 -1.24 0.06 0.00 1.00 0.00 0.00 64.86 64.68 1if2 h ILE 245 Cb 0.77 1.65 -0.05 0.00 -0.74 0.00 0.00 36.82 38.45 1if2 h ILE 245 CO 0.00 0.38 0.18 0.40 0.00 0.00 0.00 178.15 179.11 1if2 h ILE 246 N 0.17 0.88 0.00 -0.67 2.04 -0.92 -2.40 117.51 116.61 1if2 h ILE 246 Ca 0.04 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1if2 h ILE 246 Cb 0.65 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1if2 h ILE 246 CO 0.04 0.07 0.00 0.47 0.00 0.00 0.00 178.15 178.72 1if2 n ASP 247 N -4.98 0.08 -0.01 1.72 8.00 -0.77 -1.69 116.55 118.90 1if2 n ASP 247 Ca 0.04 0.52 0.15 0.00 0.71 0.00 0.00 54.79 56.20 1if2 n ASP 247 Cb 0.17 -0.53 0.75 0.00 -0.02 0.00 0.00 41.12 41.48 1if2 n ASP 247 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1if2 n ALA 248 N -1.53 2.51 -0.01 2.24 0.00 -0.65 -3.05 120.51 120.02 1if2 n ALA 248 Ca 0.04 -0.15 0.08 0.00 0.00 0.00 0.00 53.44 53.41 1if2 n ALA 248 Cb 0.22 -1.48 0.27 0.00 0.00 0.00 0.00 19.45 18.46 1if2 n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1if2 n THR 249 N -1.27 1.18 1.49 0.00 -2.24 -0.68 -4.65 114.28 108.11 1if2 n THR 249 Ca 0.14 -0.86 0.12 0.00 -2.27 0.00 0.00 64.05 61.18 1if2 n THR 249 Cb 0.24 0.16 0.71 0.00 -2.10 0.00 0.00 70.33 69.34 1if2 n THR 249 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04