#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu6 s SER 2 N 0.00 5.70 -0.26 1.61 1.04 -1.26 -5.03 113.70 115.50 2yu6 s SER 2 Ca 0.00 0.16 -0.07 0.00 0.48 0.00 0.00 55.95 56.52 2yu6 s SER 2 Cb 0.00 -1.65 -0.14 0.00 0.10 0.00 0.00 66.02 64.34 2yu6 s SER 2 CO 0.00 0.28 -0.30 -0.24 0.98 0.00 0.00 173.24 173.97 2yu6 n SER 3 N 1.26 1.96 0.00 7.02 2.88 -1.26 -5.07 113.62 120.41 2yu6 n SER 3 Ca -0.14 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2yu6 n SER 3 Cb 0.53 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 2yu6 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yu6 n GLY 4 N 1.72 1.64 3.56 0.46 0.00 -1.26 -4.84 105.19 106.46 2yu6 n GLY 4 Ca -0.50 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 2yu6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yu6 s SER 5 N -4.00 -0.68 -0.13 1.61 1.04 -1.26 -5.17 113.70 105.11 2yu6 s SER 5 Ca 0.00 1.17 -0.12 0.00 0.48 0.00 0.00 55.95 57.48 2yu6 s SER 5 Cb 0.00 1.15 0.03 0.00 0.10 0.00 0.00 66.02 67.31 2yu6 s SER 5 CO 0.00 -0.33 0.35 -0.94 0.98 0.00 0.00 173.24 173.30 2yu6 s SER 6 N -0.05 -0.37 -0.22 7.02 1.04 -1.26 -5.06 113.70 114.79 2yu6 s SER 6 Ca -0.03 0.71 -0.36 0.00 0.48 0.00 0.00 55.95 56.75 2yu6 s SER 6 Cb -0.04 0.72 0.15 0.00 0.10 0.00 0.00 66.02 66.95 2yu6 s SER 6 CO 0.03 -0.12 1.26 -0.83 0.98 0.00 0.00 173.24 174.56 2yu6 s GLY 7 N 0.18 -0.25 0.39 7.32 0.00 -1.26 -4.96 107.32 108.74 2yu6 s GLY 7 Ca -0.00 1.75 -0.23 0.00 0.00 0.00 0.00 44.72 46.23 2yu6 s GLY 7 CO 0.01 0.59 0.97 0.54 0.00 0.00 0.00 173.10 175.21 2yu6 s VAL 8 N -2.24 4.18 0.48 1.40 0.11 -1.26 -2.90 120.40 120.17 2yu6 s VAL 8 Ca 0.10 1.56 0.08 0.00 -2.93 0.00 0.00 61.98 60.79 2yu6 s VAL 8 Cb -0.01 -3.75 0.03 0.00 -1.53 0.00 0.00 36.38 31.12 2yu6 s VAL 8 CO -0.04 -0.10 0.61 -0.60 -3.33 0.00 0.00 175.10 171.64 2yu6 s ARG 9 N -2.67 2.58 0.01 1.54 3.52 -0.37 -4.90 118.95 118.65 2yu6 s ARG 9 Ca 0.57 -1.47 0.02 0.00 -0.13 0.00 0.00 55.73 54.72 2yu6 s ARG 9 Cb -0.15 -2.63 -0.01 0.00 -1.56 0.00 0.00 34.95 30.60 2yu6 s ARG 9 CO 0.20 -0.48 -0.06 0.71 -0.81 0.00 0.00 175.30 174.85 2yu6 s TYR 10 N -2.50 0.49 -0.12 5.12 1.51 -1.26 -0.11 117.35 120.49 2yu6 s TYR 10 Ca 0.55 -0.22 -0.08 0.00 -1.01 0.00 0.00 57.07 56.31 2yu6 s TYR 10 Cb -0.07 -0.31 0.04 0.00 -0.11 0.00 0.00 41.96 41.51 2yu6 s TYR 10 CO 0.34 -0.03 0.29 -0.06 -1.11 0.00 0.00 175.55 174.97 2yu6 s PHE 11 N -0.52 -0.37 -0.48 2.71 0.08 -0.46 -2.30 117.98 116.64 2yu6 s PHE 11 Ca -0.02 0.87 -0.21 0.00 0.12 0.00 0.00 56.93 57.69 2yu6 s PHE 11 Cb -0.04 0.11 0.04 0.00 -0.57 0.00 0.00 43.02 42.56 2yu6 s PHE 11 CO -0.00 -0.22 0.69 0.42 -0.10 0.00 0.00 175.22 176.01 2yu6 s ILE 12 N 0.82 4.77 -0.24 0.64 -1.09 -0.98 -1.28 121.20 123.84 2yu6 s ILE 12 Ca -0.05 -0.05 -0.08 0.00 -2.23 0.00 0.00 60.65 58.24 2yu6 s ILE 12 Cb -0.06 -4.29 -0.03 0.00 -1.58 0.00 0.00 42.46 36.49 2yu6 s ILE 12 CO -0.05 -0.75 0.08 -0.04 -1.23 0.00 0.00 174.94 172.95 2yu6 s MET 13 N 2.94 3.76 0.19 2.79 -1.94 -0.83 -1.80 119.30 124.43 2yu6 s MET 13 Ca 0.22 -0.43 -0.04 0.00 -1.71 0.00 0.00 55.69 53.73 2yu6 s MET 13 Cb -0.15 -3.35 -0.05 0.00 2.01 0.00 0.00 34.83 33.29 2yu6 s MET 13 CO 0.17 -0.09 0.42 0.15 -0.01 0.00 0.00 175.02 175.66 2yu6 s LYS 14 N 1.38 3.60 -0.01 2.03 -0.14 -1.26 -1.83 119.74 123.51 2yu6 s LYS 14 Ca 0.05 -0.14 0.04 0.00 -1.36 0.00 0.00 55.97 54.56 2yu6 s LYS 14 Cb -0.15 -2.80 -0.01 0.00 -1.68 0.00 0.00 37.83 33.20 2yu6 s LYS 14 CO 0.04 0.39 -0.12 0.45 -0.76 0.00 0.00 175.35 175.36 2yu6 s SER 15 N -2.82 1.39 0.09 2.83 0.15 -0.80 -4.89 113.70 109.66 2yu6 s SER 15 Ca 0.41 -0.21 -0.35 0.00 0.70 0.00 0.00 55.95 56.49 2yu6 s SER 15 Cb -0.11 -0.18 -0.16 0.00 -1.71 0.00 0.00 66.02 63.86 2yu6 s SER 15 CO 0.27 0.14 1.57 0.28 1.20 0.00 0.00 173.24 176.70 2yu6 h SER 16 N 5.91 -1.39 -3.41 5.45 0.02 -1.94 0.52 113.55 118.71 2yu6 h SER 16 Ca -0.33 0.12 -0.52 0.00 -0.84 0.00 0.00 61.79 60.22 2yu6 h SER 16 Cb 1.17 0.47 -0.13 0.00 0.14 0.00 0.00 62.40 64.05 2yu6 h SER 16 CO 0.49 -0.63 -0.54 0.20 -1.14 0.00 0.00 176.83 175.22 2yu6 s ASN 17 N -4.46 2.52 -0.04 3.07 0.01 -1.26 -4.18 114.94 110.60 2yu6 s ASN 17 Ca -0.17 -1.61 -0.26 0.00 -0.71 0.00 0.00 52.86 50.11 2yu6 s ASN 17 Cb 0.05 0.39 -0.20 0.00 0.41 0.00 0.00 41.25 41.90 2yu6 s ASN 17 CO 0.61 -0.87 1.14 0.25 -1.51 0.00 0.00 177.10 176.71 2yu6 h LEU 18 N 1.91 -0.04 -0.79 0.60 7.12 -1.97 -3.33 115.31 118.80 2yu6 h LEU 18 Ca -0.36 -0.52 0.07 0.00 0.13 0.00 0.00 57.88 57.20 2yu6 h LEU 18 Cb 1.26 0.01 -0.10 0.00 -0.53 0.00 0.00 40.66 41.31 2yu6 h LEU 18 CO 0.58 0.52 -0.49 -0.09 -0.13 0.00 0.00 178.44 178.82 2yu6 h ARG 19 N -0.63 -0.03 -1.48 1.25 9.65 -2.00 0.83 114.38 121.97 2yu6 h ARG 19 Ca -0.01 0.00 0.48 0.00 -1.10 0.00 0.00 59.98 59.36 2yu6 h ARG 19 Cb 0.56 0.01 -0.11 0.00 -1.39 0.00 0.00 29.97 29.04 2yu6 h ARG 19 CO 0.01 -0.02 1.00 0.09 2.80 0.00 0.00 179.97 183.84 2yu6 n ASN 20 N -4.90 0.14 -0.05 -3.80 3.02 -1.25 0.21 115.26 108.62 2yu6 n ASN 20 Ca 0.01 1.19 -0.15 0.00 -0.03 0.00 0.00 54.58 55.60 2yu6 n ASN 20 Cb 0.23 -0.59 -0.07 0.00 -0.61 0.00 0.00 39.78 38.74 2yu6 n ASN 20 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2yu6 h LEU 21 N 0.00 0.65 -0.82 3.41 5.85 0.56 -3.27 115.31 121.69 2yu6 h LEU 21 Ca 0.85 -0.58 0.16 0.00 0.84 0.00 0.00 57.88 59.15 2yu6 h LEU 21 Cb 2.96 -0.19 -0.16 0.00 0.37 0.00 0.00 40.66 43.65 2yu6 h LEU 21 CO -0.30 1.12 -0.23 -0.33 -0.34 0.00 0.00 178.44 178.36 2yu6 h GLU 22 N 0.21 -0.01 -0.96 1.25 4.39 0.28 0.46 114.58 120.19 2yu6 h GLU 22 Ca -0.01 0.00 0.28 0.00 0.34 0.00 0.00 59.36 59.97 2yu6 h GLU 22 Cb 1.05 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.56 2yu6 h GLU 22 CO 0.09 -0.01 0.47 0.82 -1.16 0.00 0.00 179.01 179.22 2yu6 h ILE 23 N -0.01 0.34 0.00 3.13 5.03 -1.58 1.22 117.51 125.64 2yu6 h ILE 23 Ca 0.39 -0.11 -0.06 0.00 -0.12 0.00 0.00 64.86 64.96 2yu6 h ILE 23 Cb 0.60 -0.01 -0.01 0.00 -3.03 0.00 0.00 36.82 34.37 2yu6 h ILE 23 CO -0.85 0.06 -0.28 -1.28 -0.68 0.00 0.00 178.15 175.12 2yu6 h SER 24 N 0.32 0.00 0.30 1.72 0.87 -0.18 0.54 113.55 117.12 2yu6 h SER 24 Ca 0.66 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.89 2yu6 h SER 24 Cb 1.43 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 63.42 2yu6 h SER 24 CO -0.60 0.28 -1.44 1.56 -0.53 0.00 0.00 176.83 176.09 2yu6 h GLN 25 N 0.00 0.52 0.00 2.24 4.20 0.16 -0.84 115.11 121.39 2yu6 h GLN 25 Ca -0.00 -0.88 -0.01 0.00 0.06 0.00 0.00 58.65 57.83 2yu6 h GLN 25 Cb 0.55 0.32 -0.00 0.00 0.30 0.00 0.00 27.48 28.65 2yu6 h GLN 25 CO 0.04 1.42 -0.06 1.96 -0.67 0.00 0.00 178.83 181.51 2yu6 h GLN 26 N 0.15 0.00 -0.29 1.46 4.20 -0.67 -3.37 115.11 116.59 2yu6 h GLN 26 Ca -0.24 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.34 2yu6 h GLN 26 Cb 2.14 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.91 2yu6 h GLN 26 CO 0.27 0.25 -0.36 0.87 -0.67 0.00 0.00 178.83 179.19 2yu6 h LYS 27 N -1.00 0.66 -0.33 1.46 1.79 -0.10 -3.48 116.57 115.57 2yu6 h LYS 27 Ca -0.01 -0.32 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 2yu6 h LYS 27 Cb 0.29 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2yu6 h LYS 27 CO -0.00 0.92 0.00 0.41 -1.08 0.00 0.00 179.45 179.69 2yu6 n GLY 28 N -0.05 0.93 3.40 3.86 0.00 -0.33 -5.02 105.19 107.98 2yu6 n GLY 28 Ca -0.01 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 2yu6 n GLY 28 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2yu6 n ILE 29 N -2.40 0.00 -3.64 -0.61 -6.64 -1.16 -2.68 119.36 102.24 2yu6 n ILE 29 Ca 0.00 -2.15 -0.10 0.00 -1.77 0.00 0.00 62.75 58.73 2yu6 n ILE 29 Cb 0.34 1.19 -0.07 0.00 -1.44 0.00 0.00 39.64 39.66 2yu6 n ILE 29 CO 0.00 0.00 0.00 0.86 -1.77 0.00 0.00 176.55 175.64 2yu6 s TRP 30 N -3.09 -0.87 -0.26 4.28 -0.11 0.96 -3.82 118.94 116.03 2yu6 s TRP 30 Ca 0.35 1.92 0.03 0.00 1.22 0.00 0.00 56.10 59.62 2yu6 s TRP 30 Cb 0.00 0.42 0.06 0.00 -1.50 0.00 0.00 33.47 32.46 2yu6 s TRP 30 CO 0.25 -0.42 -0.10 0.45 -4.62 0.00 0.00 176.95 172.50 2yu6 s SER 31 N 0.91 4.45 0.44 5.86 0.15 -1.26 -1.70 113.70 122.55 2yu6 s SER 31 Ca -0.04 -1.42 0.08 0.00 0.70 0.00 0.00 55.95 55.27 2yu6 s SER 31 Cb -0.05 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.72 2yu6 s SER 31 CO -0.08 -0.20 0.48 0.28 1.20 0.00 0.00 173.24 174.92 2yu6 s THR 32 N 1.10 2.62 0.42 6.45 -1.32 -1.26 -4.92 115.64 118.73 2yu6 s THR 32 Ca -0.08 -1.22 -0.26 0.00 -1.21 0.00 0.00 61.69 58.92 2yu6 s THR 32 Cb -0.20 -2.84 -0.10 0.00 -1.51 0.00 0.00 72.50 67.85 2yu6 s THR 32 CO -0.05 0.00 1.34 1.07 -2.21 0.00 0.00 174.62 174.77 2yu6 n THR 33 N -1.72 2.55 0.98 5.08 5.66 -1.26 -4.39 114.28 121.17 2yu6 n THR 33 Ca 0.06 -0.50 0.04 0.00 -3.05 0.00 0.00 64.05 60.60 2yu6 n THR 33 Cb 0.61 -1.68 0.24 0.00 -1.55 0.00 0.00 70.33 67.95 2yu6 n THR 33 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2yu6 n PRO 34 N 0.04 0.49 0.01 1.09 -0.04 -1.26 -2.01 135.00 133.31 2yu6 n PRO 34 Ca 0.06 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.62 2yu6 n PRO 34 Cb 0.40 -1.26 -0.04 0.00 -0.04 0.00 0.00 33.50 32.55 2yu6 n PRO 34 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yu6 n SER 35 N -0.76 0.70 -0.77 3.54 7.64 -1.26 -4.24 113.62 118.47 2yu6 n SER 35 Ca 0.06 -0.57 0.05 0.00 1.01 0.00 0.00 58.87 59.43 2yu6 n SER 35 Cb 0.03 0.98 0.13 0.00 -1.01 0.00 0.00 64.21 64.34 2yu6 n SER 35 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2yu6 n ASN 36 N -1.72 1.44 -0.10 6.43 3.02 -0.85 -4.80 115.26 118.68 2yu6 n ASN 36 Ca 0.03 -3.06 -0.19 0.00 -0.03 0.00 0.00 54.58 51.32 2yu6 n ASN 36 Cb 0.39 -0.42 -0.09 0.00 -0.61 0.00 0.00 39.78 39.05 2yu6 n ASN 36 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2yu6 n GLU 37 N -0.60 0.55 -0.32 3.52 1.02 -1.23 -4.03 120.64 119.55 2yu6 n GLU 37 Ca 0.13 0.54 0.27 0.00 -0.02 0.00 0.00 57.16 58.08 2yu6 n GLU 37 Cb 0.82 -1.71 0.46 0.00 -0.02 0.00 0.00 31.44 30.98 2yu6 n GLU 37 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2yu6 n ARG 38 N -4.45 -0.02 0.00 3.49 1.85 -1.26 -0.59 116.66 115.68 2yu6 n ARG 38 Ca -0.29 0.85 0.00 0.00 -1.00 0.00 0.00 57.85 57.40 2yu6 n ARG 38 Cb 0.62 -1.67 0.00 0.00 -1.05 0.00 0.00 32.46 30.36 2yu6 n ARG 38 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2yu6 n LYS 39 N -4.03 0.00 -0.34 2.89 2.85 -1.26 -1.71 118.16 116.55 2yu6 n LYS 39 Ca 0.27 0.50 0.19 0.00 -1.05 0.00 0.00 58.31 58.22 2yu6 n LYS 39 Cb 1.06 -1.18 0.36 0.00 -0.65 0.00 0.00 35.03 34.63 2yu6 n LYS 39 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 2yu6 h LEU 40 N 0.00 -0.29 0.27 -5.58 3.38 -0.98 0.62 115.31 112.73 2yu6 h LEU 40 Ca 0.00 0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2yu6 h LEU 40 Cb 0.00 0.44 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2yu6 h LEU 40 CO 0.00 -0.37 -0.13 0.78 0.09 0.00 0.00 178.44 178.80 2yu6 h ASN 41 N 0.01 -0.31 0.14 -0.43 4.21 -1.17 -2.57 115.58 115.46 2yu6 h ASN 41 Ca 0.66 0.01 0.01 0.00 1.21 0.00 0.00 56.30 58.19 2yu6 h ASN 41 Cb 1.48 0.08 -0.05 0.00 -1.12 0.00 0.00 38.32 38.71 2yu6 h ASN 41 CO -0.89 -0.19 -0.52 -0.09 -1.29 0.00 0.00 177.43 174.45 2yu6 h ARG 42 N -0.43 -0.73 -0.93 0.81 9.65 -0.37 -2.37 114.38 120.01 2yu6 h ARG 42 Ca -0.04 0.05 0.15 0.00 -1.10 0.00 0.00 59.98 59.04 2yu6 h ARG 42 Cb 0.28 0.17 -0.15 0.00 -1.39 0.00 0.00 29.97 28.87 2yu6 h ARG 42 CO 0.06 -0.49 -0.34 0.00 2.80 0.00 0.00 179.97 182.01 2yu6 n ALA 43 N -2.92 -0.06 -0.33 2.80 0.00 0.21 0.13 120.51 120.34 2yu6 n ALA 43 Ca -0.09 0.94 0.26 0.00 0.00 0.00 0.00 53.44 54.55 2yu6 n ALA 43 Cb 0.41 -0.44 0.51 0.00 0.00 0.00 0.00 19.45 19.92 2yu6 n ALA 43 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2yu6 h PHE 44 N 0.00 0.87 0.00 0.00 3.57 -0.99 1.18 116.94 121.58 2yu6 h PHE 44 Ca 0.34 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.81 2yu6 h PHE 44 Cb 0.57 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2yu6 h PHE 44 CO -0.80 -0.28 -0.67 -1.49 -2.23 0.00 0.00 178.31 172.85 2yu6 h TRP 45 N 0.21 0.00 0.00 0.41 6.55 0.11 -3.35 115.95 119.88 2yu6 h TRP 45 Ca 0.77 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.61 2yu6 h TRP 45 Cb 1.85 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 30.15 2yu6 h TRP 45 CO -0.02 0.46 0.20 0.39 -1.05 0.00 0.00 178.44 178.42 2yu6 n GLU 46 N -4.58 0.11 -4.32 0.49 1.02 0.13 -4.57 120.64 108.92 2yu6 n GLU 46 Ca -0.14 0.60 -0.17 0.00 -0.02 0.00 0.00 57.16 57.43 2yu6 n GLU 46 Cb 0.37 -2.06 -0.10 0.00 -0.02 0.00 0.00 31.44 29.63 2yu6 n GLU 46 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2yu6 s SER 47 N -3.65 1.65 0.00 1.62 0.01 0.40 -4.83 113.70 108.91 2yu6 s SER 47 Ca -0.02 -1.25 -0.23 0.00 1.31 0.00 0.00 55.95 55.76 2yu6 s SER 47 Cb 0.05 0.05 -0.18 0.00 0.21 0.00 0.00 66.02 66.15 2yu6 s SER 47 CO 0.15 -0.57 1.26 0.28 0.41 0.00 0.00 173.24 174.77 2yu6 h SER 48 N 2.47 0.24 -5.48 2.44 0.02 -1.75 -3.42 113.55 108.08 2yu6 h SER 48 Ca -0.38 -0.54 -0.28 0.00 -0.84 0.00 0.00 61.79 59.74 2yu6 h SER 48 Cb 1.23 -0.07 -0.15 0.00 0.14 0.00 0.00 62.40 63.55 2yu6 h SER 48 CO 0.64 0.74 -0.60 -0.63 -1.14 0.00 0.00 176.83 175.83 2yu6 s ILE 49 N -4.05 0.07 -0.29 3.27 1.01 -1.26 -4.96 121.20 114.98 2yu6 s ILE 49 Ca -0.15 -2.00 -0.02 0.00 0.00 0.00 0.00 60.65 58.48 2yu6 s ILE 49 Cb 0.03 -2.51 0.10 0.00 0.01 0.00 0.00 42.46 40.09 2yu6 s ILE 49 CO 0.73 0.00 0.10 -0.69 0.00 0.00 0.00 174.94 175.08 2yu6 s VAL 50 N -4.02 0.61 -0.47 2.92 1.01 -1.26 -1.24 120.40 117.95 2yu6 s VAL 50 Ca 0.39 -1.16 -0.28 0.00 0.00 0.00 0.00 61.98 60.93 2yu6 s VAL 50 Cb 0.07 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 35.04 2yu6 s VAL 50 CO 0.14 -0.65 1.07 -0.31 0.00 0.00 0.00 175.10 175.35 2yu6 s TYR 51 N 1.76 2.85 -0.35 5.22 2.02 0.85 -0.65 117.35 129.05 2yu6 s TYR 51 Ca 0.09 0.60 -0.09 0.00 -0.37 0.00 0.00 57.07 57.29 2yu6 s TYR 51 Cb -0.17 -4.28 0.03 0.00 -0.40 0.00 0.00 41.96 37.13 2yu6 s TYR 51 CO -0.27 -1.22 0.17 -0.51 -1.57 0.00 0.00 175.55 172.15 2yu6 s LEU 52 N 4.22 4.49 -0.63 -1.29 1.43 -0.61 -1.35 118.68 124.94 2yu6 s LEU 52 Ca 0.44 -0.96 -0.23 0.00 -1.03 0.00 0.00 54.13 52.35 2yu6 s LEU 52 Cb -0.08 -1.97 0.06 0.00 0.03 0.00 0.00 46.19 44.23 2yu6 s LEU 52 CO 0.30 -0.34 0.95 -0.69 0.23 0.00 0.00 176.35 176.80 2yu6 s VAL 53 N 1.52 4.35 0.14 -1.59 1.01 -0.40 -0.69 120.40 124.74 2yu6 s VAL 53 Ca 0.01 -0.20 -0.26 0.00 0.00 0.00 0.00 61.98 61.53 2yu6 s VAL 53 Cb -0.19 -4.64 -0.07 0.00 0.00 0.00 0.00 36.38 31.48 2yu6 s VAL 53 CO 0.05 -1.36 0.79 -0.36 0.00 0.00 0.00 175.10 174.23 2yu6 s PHE 54 N 4.00 3.87 -0.21 5.22 0.40 0.60 -1.96 117.98 129.90 2yu6 s PHE 54 Ca 0.24 1.62 -0.10 0.00 -0.60 0.00 0.00 56.93 58.09 2yu6 s PHE 54 Cb -0.16 -2.81 0.08 0.00 0.51 0.00 0.00 43.02 40.64 2yu6 s PHE 54 CO 0.12 0.44 0.49 0.45 0.70 0.00 0.00 175.22 177.42 2yu6 s SER 55 N -0.82 -0.58 0.28 1.36 0.15 -0.76 -2.46 113.70 110.85 2yu6 s SER 55 Ca 0.37 1.10 -0.29 0.00 0.70 0.00 0.00 55.95 57.83 2yu6 s SER 55 Cb -0.23 1.16 -0.10 0.00 -1.71 0.00 0.00 66.02 65.15 2yu6 s SER 55 CO 0.26 -0.21 1.24 -0.69 1.20 0.00 0.00 173.24 175.04 2yu6 s VAL 56 N 1.88 3.10 0.15 4.45 1.01 -1.26 -1.91 120.40 127.81 2yu6 s VAL 56 Ca -0.07 1.04 -0.31 0.00 0.00 0.00 0.00 61.98 62.63 2yu6 s VAL 56 Cb -0.09 -3.66 -0.10 0.00 0.00 0.00 0.00 36.38 32.53 2yu6 s VAL 56 CO -0.15 0.22 1.57 -1.58 0.00 0.00 0.00 175.10 175.16 2yu6 s GLN 57 N -1.19 4.22 0.00 2.72 2.00 0.17 -2.89 119.66 124.70 2yu6 s GLN 57 Ca 0.50 2.33 0.00 0.00 -2.00 0.00 0.00 55.36 56.19 2yu6 s GLN 57 Cb -0.36 -3.23 0.00 0.00 0.80 0.00 0.00 33.01 30.21 2yu6 s GLN 57 CO 0.45 -0.61 0.00 0.41 -0.50 0.00 0.00 175.29 175.04 2yu6 n GLY 58 N 3.77 2.97 3.70 2.59 0.00 -1.26 -4.93 105.19 112.03 2yu6 n GLY 58 Ca 0.14 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 2yu6 n GLY 58 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yu6 n SER 59 N 1.72 3.51 -1.16 1.61 2.88 -1.14 -4.86 113.62 116.18 2yu6 n SER 59 Ca 0.00 1.10 -0.04 0.00 -1.33 0.00 0.00 58.87 58.61 2yu6 n SER 59 Cb 0.00 -1.52 0.05 0.00 -0.75 0.00 0.00 64.21 61.99 2yu6 n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yu6 n GLY 60 N 3.03 2.37 3.36 0.46 0.00 -1.26 -4.84 105.19 108.31 2yu6 n GLY 60 Ca 0.14 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 2yu6 n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2yu6 s HIS 61 N -0.85 1.73 -0.33 1.61 3.76 -1.26 -0.29 115.29 119.65 2yu6 s HIS 61 Ca 0.12 -1.52 -0.02 0.00 -0.15 0.00 0.00 55.06 53.49 2yu6 s HIS 61 Cb 0.10 -0.86 0.07 0.00 1.11 0.00 0.00 32.58 33.00 2yu6 s HIS 61 CO 0.03 -0.66 0.06 -0.06 -0.85 0.00 0.00 174.74 173.25 2yu6 s PHE 62 N -3.41 3.39 0.62 1.40 0.08 0.73 -4.65 117.98 116.14 2yu6 s PHE 62 Ca 0.35 -2.09 0.24 0.00 0.12 0.00 0.00 56.93 55.55 2yu6 s PHE 62 Cb 0.03 -2.47 1.08 0.00 -0.57 0.00 0.00 43.02 41.09 2yu6 s PHE 62 CO 0.22 -0.86 1.55 1.96 -0.10 0.00 0.00 175.22 178.00 2yu6 h GLN 63 N 7.99 0.00 0.00 0.44 7.50 -1.76 -3.28 115.11 126.00 2yu6 h GLN 63 Ca -0.18 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.97 2yu6 h GLN 63 Cb 1.05 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.58 2yu6 h GLN 63 CO 0.58 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 178.32 2yu6 n GLY 64 N -1.54 2.46 3.67 3.46 0.00 -1.03 -4.44 105.19 107.78 2yu6 n GLY 64 Ca 0.11 -2.08 -0.25 0.00 0.00 0.00 0.00 46.02 43.81 2yu6 n GLY 64 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2yu6 s PHE 65 N -1.86 2.58 -0.23 1.61 -0.71 -1.26 -0.29 117.98 117.83 2yu6 s PHE 65 Ca 0.00 -0.48 -0.12 0.00 -1.04 0.00 0.00 56.93 55.29 2yu6 s PHE 65 Cb 0.00 -1.64 0.08 0.00 -1.21 0.00 0.00 43.02 40.24 2yu6 s PHE 65 CO 0.00 0.39 0.54 -1.12 -1.34 0.00 0.00 175.22 173.68 2yu6 s SER 66 N -3.78 -0.70 -0.14 1.98 0.01 0.13 -3.59 113.70 107.61 2yu6 s SER 66 Ca 0.37 1.20 -0.29 0.00 1.31 0.00 0.00 55.95 58.53 2yu6 s SER 66 Cb 0.01 1.20 -0.01 0.00 0.21 0.00 0.00 66.02 67.44 2yu6 s SER 66 CO 0.20 -0.22 1.00 0.00 0.41 0.00 0.00 173.24 174.64 2yu6 s ARG 67 N 1.76 4.37 0.15 12.44 1.70 -0.32 -1.58 118.95 137.48 2yu6 s ARG 67 Ca -0.09 1.35 -0.34 0.00 -0.47 0.00 0.00 55.73 56.19 2yu6 s ARG 67 Cb -0.08 -3.57 -0.14 0.00 -0.57 0.00 0.00 34.95 30.59 2yu6 s ARG 67 CO -0.16 -0.39 1.52 -0.12 -1.08 0.00 0.00 175.30 175.07 2yu6 n MET 68 N 5.35 1.96 -0.06 3.89 0.00 0.18 -1.02 117.12 127.42 2yu6 n MET 68 Ca 0.09 0.70 -0.04 0.00 -0.00 0.00 0.00 57.70 58.46 2yu6 n MET 68 Cb 0.48 -2.44 -0.11 0.00 0.00 0.00 0.00 33.22 31.15 2yu6 n MET 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2yu6 n SER 69 N 3.19 1.61 -4.13 6.12 2.88 -1.18 -4.53 113.62 117.57 2yu6 n SER 69 Ca 0.17 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.61 2yu6 n SER 69 Cb 0.27 1.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.63 2yu6 n SER 69 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yu6 s SER 70 N -4.50 0.95 0.95 -3.46 0.15 -1.23 -4.99 113.70 101.57 2yu6 s SER 70 Ca -0.07 -0.93 -0.15 0.00 0.70 0.00 0.00 55.95 55.51 2yu6 s SER 70 Cb 0.05 0.11 0.20 0.00 -1.71 0.00 0.00 66.02 64.67 2yu6 s SER 70 CO 0.57 -0.45 1.31 -1.83 1.20 0.00 0.00 173.24 174.04 2yu6 s GLU 71 N -3.47 0.67 -0.17 5.44 1.03 -1.26 -4.12 118.70 116.81 2yu6 s GLU 71 Ca 0.07 -0.47 -0.15 0.00 0.03 0.00 0.00 54.97 54.45 2yu6 s GLU 71 Cb 0.03 -1.87 -0.04 0.00 -0.80 0.00 0.00 34.13 31.44 2yu6 s GLU 71 CO -0.05 -2.38 0.34 0.42 -1.33 0.00 0.00 175.26 172.26 2yu6 s ILE 72 N -3.85 5.26 0.00 1.83 1.01 -1.26 -4.46 121.20 119.73 2yu6 s ILE 72 Ca 0.74 0.62 0.00 0.00 0.00 0.00 0.00 60.65 62.01 2yu6 s ILE 72 Cb -0.04 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.76 2yu6 s ILE 72 CO 0.53 0.34 0.00 0.61 0.00 0.00 0.00 174.94 176.41 2yu6 n GLY 73 N 3.60 -0.66 0.42 6.18 0.00 -1.24 -4.95 105.19 108.53 2yu6 n GLY 73 Ca -0.10 0.09 0.36 0.00 0.00 0.00 0.00 46.02 46.36 2yu6 n GLY 73 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2yu6 n ARG 74 N 0.00 -0.03 -1.48 1.61 0.00 -1.26 -4.08 116.66 111.41 2yu6 n ARG 74 Ca 0.00 1.14 -0.51 0.00 -0.00 0.00 0.00 57.85 58.47 2yu6 n ARG 74 Cb 0.00 -2.23 -0.07 0.00 -0.00 0.00 0.00 32.46 30.16 2yu6 n ARG 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2yu6 n GLU 75 N -4.53 1.15 -4.36 2.89 4.71 -1.25 -4.89 120.64 114.35 2yu6 n GLU 75 Ca 0.36 0.33 -0.20 0.00 -0.01 0.00 0.00 57.16 57.65 2yu6 n GLU 75 Cb 1.40 -2.44 -0.09 0.00 -1.01 0.00 0.00 31.44 29.31 2yu6 n GLU 75 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2yu6 s LYS 76 N 5.86 1.70 0.25 3.49 -0.14 -1.26 -0.27 119.74 129.36 2yu6 s LYS 76 Ca 1.08 -1.99 -0.07 0.00 -1.36 0.00 0.00 55.97 53.63 2yu6 s LYS 76 Cb -0.87 -0.08 0.03 0.00 -1.68 0.00 0.00 37.83 35.23 2yu6 s LYS 76 CO 0.51 -0.51 0.45 0.45 -0.76 0.00 0.00 175.35 175.49 2yu6 n SER 77 N -1.15 -1.30 0.00 2.83 2.88 -1.26 -4.97 113.62 110.65 2yu6 n SER 77 Ca 0.01 -2.11 -0.00 0.00 -1.33 0.00 0.00 58.87 55.44 2yu6 n SER 77 Cb 0.64 2.23 -0.00 0.00 -0.75 0.00 0.00 64.21 66.33 2yu6 n SER 77 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yu6 n GLN 78 N -0.36 0.00 -1.62 -1.46 6.02 -1.26 -5.03 117.38 113.67 2yu6 n GLN 78 Ca -0.04 0.00 -0.52 0.00 -0.01 0.00 0.00 57.00 56.43 2yu6 n GLN 78 Cb 0.39 -0.04 -0.06 0.00 1.02 0.00 0.00 30.24 31.55 2yu6 n GLN 78 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2yu6 n ASP 79 N -2.54 2.00 -3.61 1.08 8.00 -1.26 -4.93 116.55 115.29 2yu6 n ASP 79 Ca -0.00 1.10 -0.04 0.00 0.71 0.00 0.00 54.79 56.56 2yu6 n ASP 79 Cb 0.00 -1.21 -0.02 0.00 -0.02 0.00 0.00 41.12 39.87 2yu6 n ASP 79 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2yu6 s TRP 80 N 1.23 -0.17 -0.10 1.24 0.23 -1.26 -5.01 118.94 115.09 2yu6 s TRP 80 Ca 0.87 0.03 0.06 0.00 -2.03 0.00 0.00 56.10 55.03 2yu6 s TRP 80 Cb -0.94 0.56 -0.24 0.00 0.03 0.00 0.00 33.47 32.88 2yu6 s TRP 80 CO 0.50 -0.46 0.42 0.41 0.96 0.00 0.00 176.95 178.78 2yu6 n GLY 81 N -0.31 -0.81 2.98 0.98 0.00 -1.26 -4.85 105.19 101.92 2yu6 n GLY 81 Ca -0.06 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 2yu6 n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yu6 s SER 82 N -6.35 2.94 0.51 1.61 0.01 -1.26 -5.00 113.70 106.17 2yu6 s SER 82 Ca -0.13 -0.66 0.15 0.00 1.31 0.00 0.00 55.95 56.62 2yu6 s SER 82 Cb 0.07 -1.13 1.24 0.00 0.21 0.00 0.00 66.02 66.42 2yu6 s SER 82 CO 0.79 -0.12 2.14 0.00 0.41 0.00 0.00 173.24 176.47 2yu6 h ALA 83 N 8.04 1.98 -0.15 1.44 0.00 -1.98 -3.37 119.26 125.22 2yu6 h ALA 83 Ca -0.31 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 2yu6 h ALA 83 Cb 1.12 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2yu6 h ALA 83 CO 0.48 0.02 0.45 0.41 0.00 0.00 0.00 179.25 180.60 2yu6 n GLY 84 N -1.54 0.05 3.28 0.00 0.00 -1.26 -4.80 105.19 100.92 2yu6 n GLY 84 Ca -0.03 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 2yu6 n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yu6 s LEU 85 N 13.90 1.61 -0.30 0.99 1.43 -1.26 -4.88 118.68 130.17 2yu6 s LEU 85 Ca 0.77 -1.68 -0.14 0.00 -1.03 0.00 0.00 54.13 52.05 2yu6 s LEU 85 Cb -0.01 0.58 0.18 0.00 0.03 0.00 0.00 46.19 46.97 2yu6 s LEU 85 CO 0.19 -1.04 1.11 -0.83 0.23 0.00 0.00 176.35 176.01 2yu6 s GLY 86 N -3.33 -0.79 0.00 -3.19 0.00 -1.26 -5.00 107.32 93.74 2yu6 s GLY 86 Ca 0.40 2.35 0.00 0.00 0.00 0.00 0.00 44.72 47.47 2yu6 s GLY 86 CO 0.25 4.13 0.00 0.61 0.00 0.00 0.00 173.10 178.09 2yu6 n GLY 87 N 5.12 -1.13 3.88 0.20 0.00 -1.26 -4.61 105.19 107.38 2yu6 n GLY 87 Ca 0.08 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 2yu6 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yu6 s VAL 88 N 0.00 5.22 0.08 1.61 1.01 0.63 -4.42 120.40 124.53 2yu6 s VAL 88 Ca 0.00 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.68 2yu6 s VAL 88 Cb 0.00 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 2yu6 s VAL 88 CO 0.00 0.26 -0.08 0.72 0.00 0.00 0.00 175.10 175.99 2yu6 s PHE 89 N -1.36 0.89 0.61 5.22 -0.71 -0.69 -3.67 117.98 118.28 2yu6 s PHE 89 Ca 0.29 -0.68 -0.13 0.00 -1.04 0.00 0.00 56.93 55.37 2yu6 s PHE 89 Cb -0.13 -0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 41.14 2yu6 s PHE 89 CO 0.21 -0.07 1.03 0.15 -1.34 0.00 0.00 175.22 175.20 2yu6 s LYS 90 N -2.72 3.47 -0.07 1.99 1.02 -1.26 -0.03 119.74 122.15 2yu6 s LYS 90 Ca 0.02 0.92 -0.12 0.00 0.02 0.00 0.00 55.97 56.81 2yu6 s LYS 90 Cb -0.03 -2.06 0.02 0.00 -0.52 0.00 0.00 37.83 35.24 2yu6 s LYS 90 CO -0.01 -0.67 0.30 0.14 -0.92 0.00 0.00 175.35 174.18 2yu6 s VAL 91 N -2.91 0.03 -0.29 3.17 -7.23 -1.09 -3.13 120.40 108.95 2yu6 s VAL 91 Ca 0.58 -0.25 -0.10 0.00 -1.81 0.00 0.00 61.98 60.40 2yu6 s VAL 91 Cb -0.12 -0.51 -0.03 0.00 0.56 0.00 0.00 36.38 36.28 2yu6 s VAL 91 CO 0.46 -0.14 0.16 -0.70 -0.31 0.00 0.00 175.10 174.58 2yu6 s GLU 92 N -0.57 3.71 -0.27 4.82 -6.30 -0.19 -4.68 118.70 115.23 2yu6 s GLU 92 Ca -0.07 -0.47 -0.22 0.00 -2.50 0.00 0.00 54.97 51.71 2yu6 s GLU 92 Cb -0.04 -3.59 -0.01 0.00 0.00 0.00 0.00 34.13 30.50 2yu6 s GLU 92 CO 0.02 -0.26 0.71 -1.58 0.02 0.00 0.00 175.26 174.17 2yu6 s TRP 93 N 1.69 3.27 -0.22 5.30 0.52 -1.26 -1.17 118.94 127.07 2yu6 s TRP 93 Ca 0.06 0.87 -0.20 0.00 0.02 0.00 0.00 56.10 56.86 2yu6 s TRP 93 Cb -0.16 -2.99 -0.18 0.00 -1.15 0.00 0.00 33.47 29.00 2yu6 s TRP 93 CO 0.08 -0.41 0.10 -0.89 0.02 0.00 0.00 176.95 175.86 2yu6 n ILE 94 N 5.30 1.53 -4.15 2.03 -0.00 -1.24 -4.93 119.36 117.90 2yu6 n ILE 94 Ca 0.02 -0.09 -0.23 0.00 -0.00 0.00 0.00 62.75 62.45 2yu6 n ILE 94 Cb 0.48 -2.02 -0.17 0.00 -0.00 0.00 0.00 39.64 37.94 2yu6 n ILE 94 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 2yu6 s ARG 95 N -2.39 1.14 -0.35 0.38 1.81 -1.26 -5.02 118.95 113.27 2yu6 s ARG 95 Ca -0.30 -0.17 0.08 0.00 -1.72 0.00 0.00 55.73 53.61 2yu6 s ARG 95 Cb 0.07 -1.15 0.59 0.00 -0.45 0.00 0.00 34.95 34.02 2yu6 s ARG 95 CO 0.57 -0.13 1.66 1.63 -0.68 0.00 0.00 175.30 178.35 2yu6 n LYS 96 N 4.35 2.22 -2.46 3.54 5.02 -1.26 -4.15 118.16 125.41 2yu6 n LYS 96 Ca -0.19 -3.10 -0.23 0.00 -2.02 0.00 0.00 58.31 52.77 2yu6 n LYS 96 Cb 0.51 -1.99 0.07 0.00 -0.02 0.00 0.00 35.03 33.60 2yu6 n LYS 96 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2yu6 s GLU 97 N -3.22 2.16 -0.23 1.97 2.56 -1.26 -4.98 118.70 115.68 2yu6 s GLU 97 Ca 0.50 -0.68 -0.05 0.00 0.00 0.00 0.00 54.97 54.74 2yu6 s GLU 97 Cb 0.43 -2.32 -0.02 0.00 2.00 0.00 0.00 34.13 34.22 2yu6 s GLU 97 CO 0.06 -1.12 0.00 0.45 -0.56 0.00 0.00 175.26 174.09 2yu6 s SER 98 N -4.55 4.62 -0.21 -1.70 0.15 -1.26 -4.27 113.70 106.49 2yu6 s SER 98 Ca 0.61 -0.32 -0.03 0.00 0.70 0.00 0.00 55.95 56.91 2yu6 s SER 98 Cb -0.09 -1.81 -0.00 0.00 -1.71 0.00 0.00 66.02 62.41 2yu6 s SER 98 CO 0.42 -0.03 -0.08 -0.22 1.20 0.00 0.00 173.24 174.54 2yu6 s LEU 99 N 1.53 2.74 0.20 3.45 2.96 -1.24 -4.90 118.68 123.43 2yu6 s LEU 99 Ca 0.06 -0.43 -0.30 0.00 -0.22 0.00 0.00 54.13 53.23 2yu6 s LEU 99 Cb -0.15 -1.68 -0.09 0.00 0.50 0.00 0.00 46.19 44.77 2yu6 s LEU 99 CO -0.01 -0.00 1.30 -2.16 -1.32 0.00 0.00 176.35 174.16 2yu6 s PRO 100 N 1.37 4.40 0.39 0.98 0.04 -1.26 -0.19 135.00 140.73 2yu6 s PRO 100 Ca 0.05 2.04 0.20 0.00 0.04 0.00 0.00 61.00 63.33 2yu6 s PRO 100 Cb -0.14 -3.19 1.19 0.00 0.04 0.00 0.00 34.50 32.40 2yu6 s PRO 100 CO -0.05 -0.23 1.68 0.74 0.04 0.00 0.00 177.00 179.19 2yu6 h PHE 101 N 5.25 0.73 -1.19 0.56 0.04 -0.98 0.17 116.94 121.52 2yu6 h PHE 101 Ca -0.45 0.03 0.44 0.00 2.80 0.00 0.00 57.97 60.78 2yu6 h PHE 101 Cb 1.21 -0.19 -0.15 0.00 2.20 0.00 0.00 35.95 39.02 2yu6 h PHE 101 CO 0.62 -0.11 0.72 0.37 -0.60 0.00 0.00 178.31 179.30 2yu6 h GLN 102 N 0.28 0.04 -0.55 1.51 4.15 -1.91 1.40 115.11 120.04 2yu6 h GLN 102 Ca 0.72 -0.00 -0.09 0.00 0.77 0.00 0.00 58.65 60.05 2yu6 h GLN 102 Cb 1.89 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.55 2yu6 h GLN 102 CO -0.45 0.03 0.00 0.74 -1.93 0.00 0.00 178.83 177.22 2yu6 h PHE 103 N 0.04 1.05 -0.46 3.99 -1.00 -1.02 -2.61 116.94 116.94 2yu6 h PHE 103 Ca 0.85 -0.18 0.00 0.00 2.81 0.00 0.00 57.97 61.45 2yu6 h PHE 103 Cb 2.46 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 41.75 2yu6 h PHE 103 CO -0.01 0.95 0.00 0.00 -1.61 0.00 0.00 178.31 177.65 2yu6 n ALA 104 N -2.46 2.97 0.32 2.45 0.00 0.45 -4.22 120.51 120.03 2yu6 n ALA 104 Ca 0.02 -1.13 0.13 0.00 0.00 0.00 0.00 53.44 52.45 2yu6 n ALA 104 Cb 0.33 -1.03 0.58 0.00 0.00 0.00 0.00 19.45 19.33 2yu6 n ALA 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2yu6 h HIS 105 N 2.91 0.00 0.00 0.00 6.17 -0.19 -1.96 115.15 122.08 2yu6 h HIS 105 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.07 2yu6 h HIS 105 Cb 1.14 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 31.06 2yu6 h HIS 105 CO 0.57 0.00 -1.66 -2.39 0.71 0.00 0.00 177.93 175.16 2yu6 n HIS 106 N -2.39 0.36 -2.97 5.26 1.44 -1.26 -4.93 115.22 110.73 2yu6 n HIS 106 Ca 0.01 0.11 -0.37 0.00 -2.01 0.00 0.00 57.72 55.45 2yu6 n HIS 106 Cb 0.18 -0.69 -0.06 0.00 0.12 0.00 0.00 29.99 29.54 2yu6 n HIS 106 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2yu6 s LEU 107 N -4.86 4.40 0.23 2.39 1.43 -0.74 -5.07 118.68 116.46 2yu6 s LEU 107 Ca -0.05 1.60 -0.03 0.00 -1.03 0.00 0.00 54.13 54.62 2yu6 s LEU 107 Cb 0.12 -3.66 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 2yu6 s LEU 107 CO 0.86 0.04 0.25 -0.76 0.23 0.00 0.00 176.35 176.97 2yu6 s LEU 108 N -1.82 1.02 -0.34 1.79 1.43 -1.26 -3.38 118.68 116.12 2yu6 s LEU 108 Ca 0.44 -1.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.23 2yu6 s LEU 108 Cb -0.19 0.77 0.09 0.00 0.03 0.00 0.00 46.19 46.90 2yu6 s LEU 108 CO 0.23 -0.96 0.04 0.21 0.23 0.00 0.00 176.35 176.10 2yu6 s ASN 109 N -3.16 4.79 0.00 2.29 3.84 0.12 -4.66 114.94 118.16 2yu6 s ASN 109 Ca 0.35 -1.98 0.11 0.00 0.21 0.00 0.00 52.86 51.55 2yu6 s ASN 109 Cb 0.04 -1.65 0.64 0.00 -0.55 0.00 0.00 41.25 39.73 2yu6 s ASN 109 CO 0.14 -0.37 1.08 -0.81 -2.79 0.00 0.00 177.10 174.34 2yu6 n PRO 110 N 4.35 0.49 -0.03 0.43 -0.04 -1.26 -1.87 135.00 137.06 2yu6 n PRO 110 Ca -0.01 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 2yu6 n PRO 110 Cb 0.42 -1.34 -0.14 0.00 -0.04 0.00 0.00 33.50 32.40 2yu6 n PRO 110 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2yu6 n TRP 111 N -0.84 0.31 -3.38 0.54 7.02 -1.26 -4.35 117.44 115.48 2yu6 n TRP 111 Ca 0.08 0.10 -0.29 0.00 -1.02 0.00 0.00 57.50 56.37 2yu6 n TRP 111 Cb 0.04 -0.88 -0.07 0.00 -2.42 0.00 0.00 31.31 27.98 2yu6 n TRP 111 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2yu6 n ASN 112 N -2.65 4.11 -3.75 -0.99 5.15 -0.92 -4.83 115.26 111.38 2yu6 n ASN 112 Ca -0.17 -3.44 -0.26 0.00 -0.60 0.00 0.00 54.58 50.10 2yu6 n ASN 112 Cb 0.89 -0.75 0.05 0.00 -0.53 0.00 0.00 39.78 39.44 2yu6 n ASN 112 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2yu6 n ASP 113 N 0.93 -4.96 -3.12 1.20 8.00 -1.26 -1.42 116.55 115.91 2yu6 n ASP 113 Ca 0.29 -0.68 -0.16 0.00 0.71 0.00 0.00 54.79 54.95 2yu6 n ASP 113 Cb 0.40 -4.41 -0.02 0.00 -0.02 0.00 0.00 41.12 37.07 2yu6 n ASP 113 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2yu6 n ASN 114 N -2.94 -2.05 -4.81 -2.24 6.94 -0.78 -4.88 115.26 104.51 2yu6 n ASN 114 Ca -0.02 -0.10 -0.36 0.00 -0.02 0.00 0.00 54.58 54.09 2yu6 n ASN 114 Cb 0.56 -1.80 -0.06 0.00 -2.36 0.00 0.00 39.78 36.11 2yu6 n ASN 114 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2yu6 s LYS 115 N -5.70 4.33 0.86 -3.83 -0.14 -0.51 -4.50 119.74 110.25 2yu6 s LYS 115 Ca 0.27 1.02 -0.16 0.00 -1.36 0.00 0.00 55.97 55.74 2yu6 s LYS 115 Cb -0.15 -2.73 -0.09 0.00 -1.68 0.00 0.00 37.83 33.18 2yu6 s LYS 115 CO 0.33 0.29 -0.19 1.17 -0.76 0.00 0.00 175.35 176.18 2yu6 n LYS 116 N 0.40 -0.01 0.20 1.68 4.81 -1.26 0.12 118.16 124.10 2yu6 n LYS 116 Ca 0.01 0.02 -0.15 0.00 -0.87 0.00 0.00 58.31 57.32 2yu6 n LYS 116 Cb 0.51 -1.34 -0.08 0.00 0.02 0.00 0.00 35.03 34.14 2yu6 n LYS 116 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2yu6 h VAL 117 N -0.85 0.68 -1.15 3.15 2.07 -1.82 -2.65 116.25 115.68 2yu6 h VAL 117 Ca -0.44 -0.18 0.32 0.00 0.82 0.00 0.00 66.70 67.23 2yu6 h VAL 117 Cb 1.33 0.78 -0.09 0.00 -1.52 0.00 0.00 31.29 31.79 2yu6 h VAL 117 CO 0.32 0.04 0.76 0.06 0.02 0.00 0.00 177.57 178.77 2yu6 h GLN 118 N -0.55 0.22 -4.23 1.57 -0.00 -1.89 -3.11 115.11 107.12 2yu6 h GLN 118 Ca -0.05 -0.01 -0.66 0.00 -0.00 0.00 0.00 58.65 57.93 2yu6 h GLN 118 Cb 0.41 -0.05 0.02 0.00 -0.00 0.00 0.00 27.48 27.86 2yu6 h GLN 118 CO 0.08 0.15 2.63 -0.89 -0.00 0.00 0.00 178.83 180.79 2yu6 n ILE 119 N -4.52 2.43 -3.68 1.86 5.41 -1.00 -4.80 119.36 115.07 2yu6 n ILE 119 Ca 0.28 -2.06 -0.15 0.00 1.00 0.00 0.00 62.75 61.83 2yu6 n ILE 119 Cb 1.09 -2.41 -0.14 0.00 -0.71 0.00 0.00 39.64 37.47 2yu6 n ILE 119 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2yu6 s SER 120 N 4.27 0.38 0.70 4.38 0.01 -1.18 -4.80 113.70 117.46 2yu6 s SER 120 Ca 0.53 0.43 -0.11 0.00 1.31 0.00 0.00 55.95 58.11 2yu6 s SER 120 Cb 0.14 0.41 0.02 0.00 0.21 0.00 0.00 66.02 66.79 2yu6 s SER 120 CO 0.04 -0.22 1.07 -0.13 0.41 0.00 0.00 173.24 174.41 2yu6 s ARG 121 N 2.04 2.81 -0.15 12.44 1.81 -1.26 -4.83 118.95 131.81 2yu6 s ARG 121 Ca -0.01 1.03 -0.37 0.00 -1.72 0.00 0.00 55.73 54.66 2yu6 s ARG 121 Cb -0.12 -1.97 -0.14 0.00 -0.45 0.00 0.00 34.95 32.27 2yu6 s ARG 121 CO -0.07 -1.20 1.74 -0.40 -0.68 0.00 0.00 175.30 174.69 2yu6 n ASP 122 N -3.12 2.74 -0.53 0.23 5.68 -1.26 -2.21 116.55 118.09 2yu6 n ASP 122 Ca 0.08 1.04 0.00 0.00 -0.50 0.00 0.00 54.79 55.41 2yu6 n ASP 122 Cb 0.53 -1.25 0.00 0.00 -1.14 0.00 0.00 41.12 39.27 2yu6 n ASP 122 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2yu6 n GLY 123 N 4.06 0.76 3.51 6.12 0.00 -0.74 -4.92 105.19 113.98 2yu6 n GLY 123 Ca 0.24 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 2yu6 n GLY 123 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2yu6 s GLN 124 N -3.35 3.71 -0.01 1.61 2.00 -0.94 -4.96 119.66 117.71 2yu6 s GLN 124 Ca 0.00 -0.49 -0.30 0.00 -2.00 0.00 0.00 55.36 52.57 2yu6 s GLN 124 Cb 0.00 -2.99 -0.06 0.00 0.80 0.00 0.00 33.01 30.76 2yu6 s GLN 124 CO 0.00 0.20 1.57 -2.00 -0.50 0.00 0.00 175.29 174.57 2yu6 s GLU 125 N 0.48 4.21 0.09 1.67 2.12 -1.26 -2.31 118.70 123.70 2yu6 s GLU 125 Ca -0.02 2.15 0.03 0.00 0.36 0.00 0.00 54.97 57.49 2yu6 s GLU 125 Cb -0.14 -3.77 -0.04 0.00 0.26 0.00 0.00 34.13 30.44 2yu6 s GLU 125 CO 0.02 -0.74 0.08 -1.17 -0.54 0.00 0.00 175.26 172.91 2yu6 s LEU 126 N 3.24 3.80 0.23 2.70 2.96 -0.97 -4.92 118.68 125.71 2yu6 s LEU 126 Ca 0.70 -0.03 -0.30 0.00 -0.22 0.00 0.00 54.13 54.29 2yu6 s LEU 126 Cb -0.34 -2.47 -0.09 0.00 0.50 0.00 0.00 46.19 43.79 2yu6 s LEU 126 CO 0.29 0.16 0.95 -0.70 -1.32 0.00 0.00 176.35 175.73 2yu6 s GLU 127 N -2.48 4.83 0.00 1.98 2.12 -1.26 -4.33 118.70 119.56 2yu6 s GLU 127 Ca 0.29 1.51 0.15 0.00 0.36 0.00 0.00 54.97 57.28 2yu6 s GLU 127 Cb -0.12 -3.29 0.88 0.00 0.26 0.00 0.00 34.13 31.87 2yu6 s GLU 127 CO 0.22 0.47 1.36 -0.35 -0.54 0.00 0.00 175.26 176.41 2yu6 n PRO 128 N 1.62 0.42 -0.09 4.30 -0.04 -1.26 -0.68 135.00 139.27 2yu6 n PRO 128 Ca -0.01 0.04 -0.23 0.00 -0.04 0.00 0.00 63.50 63.25 2yu6 n PRO 128 Cb 0.47 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.31 2yu6 n PRO 128 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2yu6 n GLN 129 N -1.07 0.64 0.10 0.54 1.13 -1.26 -3.89 117.38 113.57 2yu6 n GLN 129 Ca 0.11 0.32 0.11 0.00 -1.94 0.00 0.00 57.00 55.59 2yu6 n GLN 129 Cb 0.07 -1.63 -0.01 0.00 0.11 0.00 0.00 30.24 28.78 2yu6 n GLN 129 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2yu6 n VAL 130 N -3.87 0.66 0.13 5.09 0.24 -1.14 -3.79 118.33 115.65 2yu6 n VAL 130 Ca -0.40 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.34 2yu6 n VAL 130 Cb 0.90 -0.36 0.06 0.00 -1.47 0.00 0.00 33.84 32.96 2yu6 n VAL 130 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2yu6 h GLY 131 N 3.98 0.00 0.78 7.63 0.00 -1.12 -2.79 103.07 111.55 2yu6 h GLY 131 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.14 2yu6 h GLY 131 CO 0.00 0.00 -0.73 1.05 0.00 0.00 0.00 176.54 176.87 2yu6 h GLU 132 N 0.00 0.38 0.00 4.80 4.11 -1.69 -3.20 114.58 118.98 2yu6 h GLU 132 Ca -0.01 -0.49 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2yu6 h GLU 132 Cb 1.37 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.79 2yu6 h GLU 132 CO 0.08 1.18 0.00 0.00 0.07 0.00 0.00 179.01 180.34 2yu6 n GLN 133 N -4.16 0.03 0.08 1.06 10.64 -1.25 -2.91 117.38 120.88 2yu6 n GLN 133 Ca -0.12 0.13 -0.16 0.00 -1.83 0.00 0.00 57.00 55.02 2yu6 n GLN 133 Cb 0.75 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 28.49 2yu6 n GLN 133 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 2yu6 h LEU 134 N 0.00 0.39 0.06 2.61 5.85 -1.49 -3.35 115.31 119.38 2yu6 h LEU 134 Ca 0.00 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 2yu6 h LEU 134 Cb 0.35 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2yu6 h LEU 134 CO 0.00 1.37 -0.03 -0.07 -0.34 0.00 0.00 178.44 179.37 2yu6 h LEU 135 N 0.07 -0.07 -1.34 2.25 3.38 -1.53 -3.16 115.31 114.91 2yu6 h LEU 135 Ca -0.18 -0.55 0.28 0.00 0.09 0.00 0.00 57.88 57.52 2yu6 h LEU 135 Cb 1.98 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.71 2yu6 h LEU 135 CO 0.18 0.56 1.05 0.06 0.09 0.00 0.00 178.44 180.38 2yu6 h GLN 136 N -0.75 0.00 -0.61 1.13 3.07 -1.70 0.24 115.11 116.49 2yu6 h GLN 136 Ca -0.01 0.00 0.11 0.00 0.09 0.00 0.00 58.65 58.85 2yu6 h GLN 136 Cb 0.61 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 28.09 2yu6 h GLN 136 CO 0.01 0.00 0.13 -0.07 0.09 0.00 0.00 178.83 179.00 2yu6 h LEU 137 N 0.00 0.01 -1.42 0.06 3.38 -1.67 0.63 115.31 116.29 2yu6 h LEU 137 Ca 0.45 0.11 0.25 0.00 0.09 0.00 0.00 57.88 58.79 2yu6 h LEU 137 Cb 2.55 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 43.36 2yu6 h LEU 137 CO -0.00 0.01 0.66 -0.50 0.09 0.00 0.00 178.44 178.69 2yu6 h TRP 138 N 0.26 0.61 0.00 1.13 6.55 -0.72 0.57 115.95 124.35 2yu6 h TRP 138 Ca 0.32 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 60.18 2yu6 h TRP 138 Cb 0.48 -0.18 -0.00 0.00 -0.86 0.00 0.00 29.16 28.60 2yu6 h TRP 138 CO -0.25 0.08 -0.01 0.93 -1.05 0.00 0.00 178.44 178.15 2yu6 h GLU 139 N 0.39 0.00 0.00 0.49 5.08 -1.02 -0.94 114.58 118.58 2yu6 h GLU 139 Ca 0.56 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.82 2yu6 h GLU 139 Cb 1.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 2yu6 h GLU 139 CO -0.26 0.01 -0.47 0.00 -1.00 0.00 0.00 179.01 177.29 2yu6 h ARG 140 N 0.00 0.00 0.00 2.33 3.08 0.13 -3.53 114.38 116.39 2yu6 h ARG 140 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2yu6 h ARG 140 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2yu6 h ARG 140 CO 0.00 0.47 0.00 1.28 -1.07 0.00 0.00 179.97 180.66