#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 -0.42 -0.27 1.61 0.15 -1.26 -5.18 113.70 108.33 2yu6 s SER 2 Ca 0.00 0.30 -0.22 0.00 0.70 0.00 0.00 55.95 56.73 2yu6 s SER 2 Cb 0.00 0.38 0.07 0.00 -1.71 0.00 0.00 66.02 64.77 2yu6 s SER 2 CO 0.00 -0.51 0.72 -0.44 1.20 0.00 0.00 173.24 174.21 2yu6 s SER 3 N -1.66 -0.80 0.00 5.45 0.01 -1.26 -5.14 113.70 110.31 2yu6 s SER 3 Ca -0.01 1.45 0.00 0.00 1.31 0.00 0.00 55.95 58.70 2yu6 s SER 3 Cb -0.01 1.43 0.00 0.00 0.21 0.00 0.00 66.02 67.65 2yu6 s SER 3 CO -0.01 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.00 2yu6 n GLY 4 N 3.18 3.38 3.69 3.44 0.00 -1.26 -5.10 105.19 112.53 2yu6 n GLY 4 Ca -0.16 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 2yu6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yu6 s SER 5 N 0.00 6.11 -0.03 1.61 0.01 -1.26 -5.09 113.70 115.05 2yu6 s SER 5 Ca 0.00 0.16 -0.02 0.00 1.31 0.00 0.00 55.95 57.40 2yu6 s SER 5 Cb 0.00 -2.08 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 2yu6 s SER 5 CO 0.00 0.13 0.11 -0.55 0.41 0.00 0.00 173.24 173.34 2yu6 s SER 6 N 0.66 5.92 0.00 2.44 0.15 -1.26 -4.87 113.70 116.73 2yu6 s SER 6 Ca 0.07 0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.96 2yu6 s SER 6 Cb -0.12 -1.77 0.00 0.00 -1.71 0.00 0.00 66.02 62.42 2yu6 s SER 6 CO 0.01 0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.35 2yu6 n GLY 7 N 1.30 3.43 3.77 9.45 0.00 -1.26 -4.98 105.19 116.89 2yu6 n GLY 7 Ca -0.14 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 2yu6 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yu6 s VAL 8 N -1.58 4.09 0.50 1.61 0.11 -1.26 -4.12 120.40 119.76 2yu6 s VAL 8 Ca 0.00 1.85 0.07 0.00 -2.93 0.00 0.00 61.98 60.97 2yu6 s VAL 8 Cb 0.00 -4.08 0.07 0.00 -1.53 0.00 0.00 36.38 30.84 2yu6 s VAL 8 CO 0.00 0.25 0.57 0.54 -3.33 0.00 0.00 175.10 173.13 2yu6 n ARG 9 N 0.83 0.70 -4.04 1.54 1.74 -1.22 -4.89 116.66 111.32 2yu6 n ARG 9 Ca 0.01 -2.88 -0.17 0.00 -0.77 0.00 0.00 57.85 54.03 2yu6 n ARG 9 Cb 0.49 0.01 -0.16 0.00 -1.02 0.00 0.00 32.46 31.78 2yu6 n ARG 9 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2yu6 s TYR 10 N -2.28 0.46 -0.01 -1.55 1.51 -1.25 -1.78 117.35 112.44 2yu6 s TYR 10 Ca 0.43 -0.08 0.01 0.00 -1.01 0.00 0.00 57.07 56.43 2yu6 s TYR 10 Cb -0.03 -0.44 0.00 0.00 -0.11 0.00 0.00 41.96 41.38 2yu6 s TYR 10 CO 0.27 -0.12 -0.04 -0.06 -1.11 0.00 0.00 175.55 174.49 2yu6 s PHE 11 N 0.71 0.49 -0.27 2.71 0.08 -0.65 -0.73 117.98 120.32 2yu6 s PHE 11 Ca -0.08 -0.09 -0.19 0.00 0.12 0.00 0.00 56.93 56.69 2yu6 s PHE 11 Cb -0.11 -0.37 -0.02 0.00 -0.57 0.00 0.00 43.02 41.95 2yu6 s PHE 11 CO -0.01 -0.05 0.58 0.42 -0.10 0.00 0.00 175.22 176.06 2yu6 s ILE 12 N 0.19 5.01 -0.29 0.64 -1.09 -1.17 -1.41 121.20 123.07 2yu6 s ILE 12 Ca -0.02 0.96 0.01 0.00 -2.23 0.00 0.00 60.65 59.37 2yu6 s ILE 12 Cb -0.06 -3.90 0.06 0.00 -1.58 0.00 0.00 42.46 36.98 2yu6 s ILE 12 CO -0.00 0.02 -0.03 -0.04 -1.23 0.00 0.00 174.94 173.65 2yu6 s MET 13 N 2.44 2.22 0.14 2.79 -1.94 -0.78 -0.14 119.30 124.03 2yu6 s MET 13 Ca 0.24 -1.40 -0.15 0.00 -1.71 0.00 0.00 55.69 52.67 2yu6 s MET 13 Cb -0.15 -3.08 -0.07 0.00 2.01 0.00 0.00 34.83 33.53 2yu6 s MET 13 CO 0.09 -0.66 0.56 0.15 -0.01 0.00 0.00 175.02 175.15 2yu6 s LYS 14 N 1.14 4.02 -0.13 2.03 -0.14 -1.26 -2.42 119.74 122.99 2yu6 s LYS 14 Ca -0.04 0.54 0.03 0.00 -1.36 0.00 0.00 55.97 55.13 2yu6 s LYS 14 Cb -0.20 -2.97 0.01 0.00 -1.68 0.00 0.00 37.83 32.98 2yu6 s LYS 14 CO -0.04 0.50 -0.22 0.45 -0.76 0.00 0.00 175.35 175.28 2yu6 s SER 15 N -1.63 3.15 0.21 2.83 0.15 -1.19 -4.84 113.70 112.39 2yu6 s SER 15 Ca 0.37 -0.58 -0.21 0.00 0.70 0.00 0.00 55.95 56.23 2yu6 s SER 15 Cb -0.16 -1.44 0.15 0.00 -1.71 0.00 0.00 66.02 62.86 2yu6 s SER 15 CO 0.19 0.11 1.55 0.28 1.20 0.00 0.00 173.24 176.57 2yu6 h SER 16 N 7.09 -1.58 -3.36 5.45 0.02 -1.96 -2.71 113.55 116.50 2yu6 h SER 16 Ca -0.27 0.30 -0.55 0.00 -0.84 0.00 0.00 61.79 60.43 2yu6 h SER 16 Cb 1.21 0.78 -0.13 0.00 0.14 0.00 0.00 62.40 64.40 2yu6 h SER 16 CO 0.52 -0.28 -0.51 0.21 -1.14 0.00 0.00 176.83 175.63 2yu6 s ASN 17 N -5.36 2.71 -0.02 3.07 2.47 -1.26 -4.38 114.94 112.17 2yu6 s ASN 17 Ca -0.13 -1.69 -0.22 0.00 0.42 0.00 0.00 52.86 51.24 2yu6 s ASN 17 Cb 0.18 0.53 -0.24 0.00 -1.45 0.00 0.00 41.25 40.26 2yu6 s ASN 17 CO 0.69 -0.95 1.06 0.25 -3.72 0.00 0.00 177.10 174.43 2yu6 h LEU 18 N 1.81 0.40 -0.76 3.21 7.12 -1.99 -3.33 115.31 121.77 2yu6 h LEU 18 Ca -0.34 -0.77 0.11 0.00 0.13 0.00 0.00 57.88 57.00 2yu6 h LEU 18 Cb 1.27 -0.12 -0.13 0.00 -0.53 0.00 0.00 40.66 41.15 2yu6 h LEU 18 CO 0.55 1.12 -0.43 -0.09 -0.13 0.00 0.00 178.44 179.46 2yu6 h ARG 19 N -0.28 -0.12 -1.36 1.25 9.65 -1.98 0.91 114.38 122.45 2yu6 h ARG 19 Ca -0.06 0.01 0.39 0.00 -1.10 0.00 0.00 59.98 59.22 2yu6 h ARG 19 Cb 1.20 0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 29.74 2yu6 h ARG 19 CO 0.09 -0.08 0.96 -0.91 2.80 0.00 0.00 179.97 182.83 2yu6 h ASN 20 N -0.12 0.06 0.38 -3.80 2.35 -1.99 0.78 115.58 113.24 2yu6 h ASN 20 Ca 0.23 0.02 -0.27 0.00 -0.55 0.00 0.00 56.30 55.73 2yu6 h ASN 20 Cb 0.55 0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.95 2yu6 h ASN 20 CO -0.81 -0.01 -1.19 0.25 -1.65 0.00 0.00 177.43 174.03 2yu6 h LEU 21 N 0.05 0.62 -1.77 1.61 5.85 0.67 -3.25 115.31 119.09 2yu6 h LEU 21 Ca 0.67 -0.59 0.29 0.00 0.84 0.00 0.00 57.88 59.09 2yu6 h LEU 21 Cb 2.55 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 43.32 2yu6 h LEU 21 CO -0.07 1.43 0.73 -0.33 -0.34 0.00 0.00 178.44 179.86 2yu6 h GLU 22 N 0.18 0.14 -0.53 1.25 4.39 0.14 0.42 114.58 120.58 2yu6 h GLU 22 Ca -0.15 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.50 2yu6 h GLU 22 Cb 1.87 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 30.46 2yu6 h GLU 22 CO 0.21 0.09 0.15 0.82 -1.16 0.00 0.00 179.01 179.13 2yu6 h ILE 23 N 0.15 1.22 0.00 3.13 5.03 -1.57 -0.79 117.51 124.68 2yu6 h ILE 23 Ca 0.53 -0.75 -0.03 0.00 -0.12 0.00 0.00 64.86 64.49 2yu6 h ILE 23 Cb 1.83 0.64 -0.00 0.00 -3.03 0.00 0.00 36.82 36.26 2yu6 h ILE 23 CO -0.11 0.28 -0.15 -1.28 -0.68 0.00 0.00 178.15 176.22 2yu6 h SER 24 N 0.78 0.00 0.70 1.72 0.87 -0.18 0.42 113.55 117.86 2yu6 h SER 24 Ca 0.18 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.48 2yu6 h SER 24 Cb 0.25 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 2yu6 h SER 24 CO -0.01 0.15 -1.36 1.56 -0.53 0.00 0.00 176.83 176.65 2yu6 h GLN 25 N 0.00 0.06 0.00 2.24 4.20 -1.00 -2.75 115.11 117.85 2yu6 h GLN 25 Ca -0.00 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.56 2yu6 h GLN 25 Cb 0.84 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 2yu6 h GLN 25 CO 0.02 0.85 -0.97 1.04 -0.67 0.00 0.00 178.83 179.11 2yu6 n GLN 26 N -3.27 0.51 -0.06 1.46 1.13 -0.38 -4.53 117.38 112.24 2yu6 n GLN 26 Ca -0.09 0.35 -0.05 0.00 -1.94 0.00 0.00 57.00 55.27 2yu6 n GLN 26 Cb 1.00 -1.55 0.15 0.00 0.11 0.00 0.00 30.24 29.95 2yu6 n GLN 26 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2yu6 h LYS 27 N -1.00 0.69 0.00 -1.09 1.79 -0.38 -3.47 116.57 113.11 2yu6 h LYS 27 Ca -0.08 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 2yu6 h LYS 27 Cb 0.89 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 2yu6 h LYS 27 CO -0.05 0.81 0.00 0.41 -1.08 0.00 0.00 179.45 179.54 2yu6 n GLY 28 N -0.42 0.77 3.23 3.86 0.00 -1.04 -5.01 105.19 106.59 2yu6 n GLY 28 Ca 0.01 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 2yu6 n GLY 28 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2yu6 s ILE 29 N -2.00 0.10 -0.13 -0.61 -5.25 -1.25 -1.99 121.20 110.07 2yu6 s ILE 29 Ca 0.00 -2.00 -0.12 0.00 -0.99 0.00 0.00 60.65 57.54 2yu6 s ILE 29 Cb 0.00 -2.52 0.03 0.00 2.95 0.00 0.00 42.46 42.92 2yu6 s ILE 29 CO 0.00 0.00 0.34 0.86 -1.79 0.00 0.00 174.94 174.35 2yu6 s TRP 30 N -4.00 -0.37 -0.26 1.37 -0.11 0.13 -3.45 118.94 112.25 2yu6 s TRP 30 Ca 0.39 0.90 0.03 0.00 1.22 0.00 0.00 56.10 58.64 2yu6 s TRP 30 Cb 0.07 0.13 0.06 0.00 -1.50 0.00 0.00 33.47 32.22 2yu6 s TRP 30 CO 0.14 -0.18 -0.10 0.45 -4.62 0.00 0.00 176.95 172.64 2yu6 s SER 31 N 0.18 4.42 0.43 5.86 0.15 -1.26 -1.67 113.70 121.81 2yu6 s SER 31 Ca -0.00 -1.40 0.07 0.00 0.70 0.00 0.00 55.95 55.32 2yu6 s SER 31 Cb -0.02 -1.53 -0.03 0.00 -1.71 0.00 0.00 66.02 62.74 2yu6 s SER 31 CO 0.00 -0.20 0.30 0.28 1.20 0.00 0.00 173.24 174.83 2yu6 s THR 32 N 1.12 2.38 0.39 6.45 -1.32 -1.26 -5.02 115.64 118.39 2yu6 s THR 32 Ca -0.08 -1.50 -0.27 0.00 -1.21 0.00 0.00 61.69 58.63 2yu6 s THR 32 Cb -0.20 -2.88 -0.11 0.00 -1.51 0.00 0.00 72.50 67.80 2yu6 s THR 32 CO -0.05 0.00 1.39 1.07 -2.21 0.00 0.00 174.62 174.82 2yu6 n THR 33 N -1.46 2.27 0.98 5.08 5.66 -1.26 -4.53 114.28 121.03 2yu6 n THR 33 Ca 0.01 -0.50 0.07 0.00 -3.05 0.00 0.00 64.05 60.58 2yu6 n THR 33 Cb 0.63 -1.78 0.42 0.00 -1.55 0.00 0.00 70.33 68.06 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 0.25 0.49 0.01 1.09 -0.04 -1.26 -2.03 135.00 133.51 2yu6 n PRO 34 Ca 0.04 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.61 2yu6 n PRO 34 Cb 0.39 -1.45 0.11 0.00 -0.04 0.00 0.00 33.50 32.50 2yu6 n PRO 34 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yu6 n SER 35 N -0.95 0.64 -0.09 3.54 2.88 -1.26 -4.07 113.62 114.31 2yu6 n SER 35 Ca 0.11 -0.36 0.02 0.00 -1.33 0.00 0.00 58.87 57.31 2yu6 n SER 35 Cb 0.05 0.55 0.03 0.00 -0.75 0.00 0.00 64.21 64.09 2yu6 n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2yu6 n ASN 36 N -1.67 1.31 -0.02 -3.46 3.02 -0.86 -4.77 115.26 108.80 2yu6 n ASN 36 Ca 0.04 -2.00 -0.21 0.00 -0.03 0.00 0.00 54.58 52.38 2yu6 n ASN 36 Cb 0.37 -0.13 -0.13 0.00 -0.61 0.00 0.00 39.78 39.28 2yu6 n ASN 36 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2yu6 h GLU 37 N 0.00 0.18 -0.69 3.52 5.08 -1.68 -3.34 114.58 117.65 2yu6 h GLU 37 Ca 0.00 -0.30 0.23 0.00 -1.00 0.00 0.00 59.36 58.29 2yu6 h GLU 37 Cb 0.86 0.11 -0.13 0.00 0.50 0.00 0.00 28.75 30.10 2yu6 h GLU 37 CO 0.00 1.14 0.16 -2.13 -1.00 0.00 0.00 179.01 177.18 2yu6 n ARG 38 N -4.07 -0.05 0.02 2.33 0.00 -1.26 0.12 116.66 113.75 2yu6 n ARG 38 Ca -0.25 1.00 -0.13 0.00 -0.00 0.00 0.00 57.85 58.48 2yu6 n ARG 38 Cb 0.82 -1.67 -0.09 0.00 0.00 0.00 0.00 32.46 31.51 2yu6 n ARG 38 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 2yu6 h LYS 39 N 0.00 -0.09 -0.73 -0.14 2.10 -1.93 0.06 116.57 115.83 2yu6 h LYS 39 Ca 0.49 0.01 0.12 0.00 -2.00 0.00 0.00 60.65 59.26 2yu6 h LYS 39 Cb 1.15 0.02 -0.08 0.00 -0.90 0.00 0.00 32.23 32.42 2yu6 h LYS 39 CO -0.60 0.40 0.34 -0.07 -2.00 0.00 0.00 179.45 177.51 2yu6 h LEU 40 N -0.64 0.39 0.23 7.07 3.38 0.88 0.80 115.31 127.42 2yu6 h LEU 40 Ca -0.01 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2yu6 h LEU 40 Cb 0.53 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2yu6 h LEU 40 CO 0.02 0.20 -0.11 -1.13 0.09 0.00 0.00 178.44 177.50 2yu6 h ASN 41 N 0.54 -0.26 0.00 -0.43 -1.24 -0.61 -2.51 115.58 111.08 2yu6 h ASN 41 Ca 0.38 0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.43 2yu6 h ASN 41 Cb 0.49 0.07 -0.05 0.00 0.73 0.00 0.00 38.32 39.55 2yu6 h ASN 41 CO -0.33 -0.02 -0.42 -0.09 -1.29 0.00 0.00 177.43 175.28 2yu6 h ARG 42 N -0.62 -0.56 -0.85 6.67 9.65 -0.90 -1.55 114.38 126.21 2yu6 h ARG 42 Ca -0.03 0.04 0.20 0.00 -1.10 0.00 0.00 59.98 59.08 2yu6 h ARG 42 Cb 0.23 0.13 -0.12 0.00 -1.39 0.00 0.00 29.97 28.82 2yu6 h ARG 42 CO 0.05 -0.37 0.34 0.00 2.80 0.00 0.00 179.97 182.79 2yu6 h ALA 43 N -0.04 1.30 -0.94 2.80 0.00 0.49 0.45 119.26 123.31 2yu6 h ALA 43 Ca 0.05 0.15 0.27 0.00 0.00 0.00 0.00 54.91 55.38 2yu6 h ALA 43 Cb 0.65 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2yu6 h ALA 43 CO -0.31 -0.31 0.69 0.35 0.00 0.00 0.00 179.25 179.67 2yu6 h PHE 44 N 0.40 0.00 0.00 0.00 3.57 -0.80 0.69 116.94 120.79 2yu6 h PHE 44 Ca 0.51 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.81 2yu6 h PHE 44 Cb 0.92 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 2yu6 h PHE 44 CO -0.16 0.00 -1.41 0.91 -2.23 0.00 0.00 178.31 175.42 2yu6 n TRP 45 N -4.20 0.52 0.32 0.41 8.01 0.14 -4.26 117.44 118.37 2yu6 n TRP 45 Ca 0.20 0.22 0.19 0.00 -1.31 0.00 0.00 57.50 56.81 2yu6 n TRP 45 Cb 1.02 -0.88 1.03 0.00 -2.01 0.00 0.00 31.31 30.47 2yu6 n TRP 45 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.69 177.61 2yu6 h GLU 46 N -1.00 0.00 -5.62 -0.99 4.39 -0.58 -3.42 114.58 107.37 2yu6 h GLU 46 Ca -0.30 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 58.79 2yu6 h GLU 46 Cb 1.16 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.67 2yu6 h GLU 46 CO -0.18 0.00 -0.61 -1.12 -1.16 0.00 0.00 179.01 175.94 2yu6 s SER 47 N -5.04 3.63 -0.09 1.42 0.01 0.24 -4.78 113.70 109.08 2yu6 s SER 47 Ca -0.04 -1.35 -0.21 0.00 1.31 0.00 0.00 55.95 55.65 2yu6 s SER 47 Cb 0.12 -0.35 -0.17 0.00 0.21 0.00 0.00 66.02 65.83 2yu6 s SER 47 CO 0.39 -0.45 0.74 -1.28 0.41 0.00 0.00 173.24 173.05 2yu6 h SER 48 N 1.85 -0.07 -3.89 2.44 0.87 -1.81 -3.43 113.55 109.51 2yu6 h SER 48 Ca -0.43 -0.54 -0.39 0.00 -1.23 0.00 0.00 61.79 59.19 2yu6 h SER 48 Cb 1.24 0.02 -0.14 0.00 -0.44 0.00 0.00 62.40 63.08 2yu6 h SER 48 CO 0.78 0.63 -0.64 -0.63 -0.53 0.00 0.00 176.83 176.44 2yu6 s ILE 49 N -2.77 0.96 -0.27 2.23 1.01 -1.26 -4.97 121.20 116.13 2yu6 s ILE 49 Ca -0.13 -2.02 -0.02 0.00 0.00 0.00 0.00 60.65 58.48 2yu6 s ILE 49 Cb -0.01 -2.50 0.09 0.00 0.01 0.00 0.00 42.46 40.05 2yu6 s ILE 49 CO 0.50 -0.19 0.08 -0.69 0.00 0.00 0.00 174.94 174.64 2yu6 s VAL 50 N -3.47 0.61 0.03 2.92 1.01 -1.26 -3.39 120.40 116.84 2yu6 s VAL 50 Ca 0.32 -1.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.00 2yu6 s VAL 50 Cb 0.07 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 2yu6 s VAL 50 CO 0.11 -0.53 0.88 -0.31 0.00 0.00 0.00 175.10 175.25 2yu6 s TYR 51 N 1.77 3.70 -0.22 5.22 2.02 -0.73 -0.09 117.35 129.02 2yu6 s TYR 51 Ca 0.06 1.61 -0.01 0.00 -0.37 0.00 0.00 57.07 58.36 2yu6 s TYR 51 Cb -0.17 -2.99 0.06 0.00 -0.40 0.00 0.00 41.96 38.47 2yu6 s TYR 51 CO -0.22 0.13 0.01 -0.51 -1.57 0.00 0.00 175.55 173.39 2yu6 s LEU 52 N 0.47 1.86 -0.56 -1.29 1.43 0.43 -1.64 118.68 119.38 2yu6 s LEU 52 Ca 0.45 -1.05 -0.26 0.00 -1.03 0.00 0.00 54.13 52.24 2yu6 s LEU 52 Cb -0.21 -0.86 0.04 0.00 0.03 0.00 0.00 46.19 45.19 2yu6 s LEU 52 CO 0.26 -0.29 1.04 -0.69 0.23 0.00 0.00 176.35 176.90 2yu6 s VAL 53 N 1.65 4.24 0.01 -1.59 1.01 -0.50 -0.36 120.40 124.85 2yu6 s VAL 53 Ca -0.02 0.56 -0.22 0.00 0.00 0.00 0.00 61.98 62.30 2yu6 s VAL 53 Cb -0.18 -4.61 -0.05 0.00 0.00 0.00 0.00 36.38 31.54 2yu6 s VAL 53 CO -0.09 -1.19 0.64 -0.36 0.00 0.00 0.00 175.10 174.10 2yu6 s PHE 54 N 4.34 3.70 -0.23 5.22 0.40 0.15 -1.87 117.98 129.69 2yu6 s PHE 54 Ca 0.36 1.28 -0.06 0.00 -0.60 0.00 0.00 56.93 57.91 2yu6 s PHE 54 Cb -0.10 -2.67 0.12 0.00 0.51 0.00 0.00 43.02 40.87 2yu6 s PHE 54 CO 0.22 0.33 0.46 0.45 0.70 0.00 0.00 175.22 177.38 2yu6 s SER 55 N -0.16 -0.36 0.25 1.36 0.15 -1.01 -2.16 113.70 111.77 2yu6 s SER 55 Ca 0.33 0.88 -0.30 0.00 0.70 0.00 0.00 55.95 57.56 2yu6 s SER 55 Cb -0.19 1.50 -0.10 0.00 -1.71 0.00 0.00 66.02 65.52 2yu6 s SER 55 CO 0.19 -0.25 1.49 -0.69 1.20 0.00 0.00 173.24 175.18 2yu6 s VAL 56 N 2.66 2.51 -0.28 4.45 1.01 -1.26 -3.14 120.40 126.35 2yu6 s VAL 56 Ca 0.03 0.42 -0.37 0.00 0.00 0.00 0.00 61.98 62.07 2yu6 s VAL 56 Cb -0.13 -3.27 -0.13 0.00 0.00 0.00 0.00 36.38 32.85 2yu6 s VAL 56 CO -0.15 0.06 1.99 0.00 0.00 0.00 0.00 175.10 177.01 2yu6 n GLN 57 N 2.45 1.32 0.00 2.72 6.02 -1.02 -0.63 117.38 128.25 2yu6 n GLN 57 Ca 0.08 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 2yu6 n GLN 57 Cb 0.39 -2.39 0.00 0.00 1.02 0.00 0.00 30.24 29.27 2yu6 n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2yu6 n GLY 58 N 5.41 3.10 3.05 1.08 0.00 -1.26 -4.99 105.19 111.59 2yu6 n GLY 58 Ca 0.33 -0.92 -0.55 0.00 0.00 0.00 0.00 46.02 44.88 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 0.86 0.67 -0.23 1.61 2.88 0.20 -4.73 113.62 114.87 2yu6 n SER 59 Ca 0.00 0.60 0.25 0.00 -1.33 0.00 0.00 58.87 58.40 2yu6 n SER 59 Cb 0.00 -0.84 0.63 0.00 -0.75 0.00 0.00 64.21 63.24 2yu6 n SER 59 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2yu6 h GLY 60 N 8.60 0.47 -1.60 0.46 0.00 -1.95 -3.42 103.07 105.62 2yu6 h GLY 60 Ca -0.09 -0.09 -0.54 0.00 0.00 0.00 0.00 47.33 46.61 2yu6 h GLY 60 CO 1.04 -0.02 -0.32 0.30 0.00 0.00 0.00 176.54 177.54 2yu6 s HIS 61 N -5.20 2.05 -0.44 5.60 3.76 -1.26 -2.42 115.29 117.39 2yu6 s HIS 61 Ca -0.07 -0.69 -0.18 0.00 -0.15 0.00 0.00 55.06 53.98 2yu6 s HIS 61 Cb 0.23 -2.05 0.03 0.00 1.11 0.00 0.00 32.58 31.90 2yu6 s HIS 61 CO 0.78 -0.39 0.51 -0.06 -0.85 0.00 0.00 174.74 174.73 2yu6 s PHE 62 N -2.64 3.13 0.61 1.40 0.08 0.18 -4.77 117.98 115.97 2yu6 s PHE 62 Ca 0.43 -0.35 0.27 0.00 0.12 0.00 0.00 56.93 57.40 2yu6 s PHE 62 Cb -0.03 -3.09 1.03 0.00 -0.57 0.00 0.00 43.02 40.37 2yu6 s PHE 62 CO 0.26 -0.79 1.41 1.96 -0.10 0.00 0.00 175.22 177.96 2yu6 h GLN 63 N 8.80 0.00 0.00 0.44 1.08 -1.78 -3.25 115.11 120.40 2yu6 h GLN 63 Ca -0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 2yu6 h GLN 63 Cb 1.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 2yu6 h GLN 63 CO 0.84 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 179.13 2yu6 n GLY 64 N -1.68 2.69 3.69 3.46 0.00 -0.92 -4.49 105.19 107.95 2yu6 n GLY 64 Ca 0.21 -2.07 -0.24 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.01 2.62 -0.19 1.61 -0.71 -1.26 0.31 117.98 118.35 2yu6 s PHE 65 Ca 0.00 -0.47 -0.15 0.00 -1.04 0.00 0.00 56.93 55.28 2yu6 s PHE 65 Cb 0.00 -1.68 0.05 0.00 -1.21 0.00 0.00 43.02 40.18 2yu6 s PHE 65 CO 0.00 0.35 0.49 -1.12 -1.34 0.00 0.00 175.22 173.59 2yu6 s SER 66 N -3.81 -0.56 -0.22 1.98 0.01 0.51 -3.40 113.70 108.20 2yu6 s SER 66 Ca 0.38 1.01 -0.18 0.00 1.31 0.00 0.00 55.95 58.47 2yu6 s SER 66 Cb 0.00 0.97 -0.03 0.00 0.21 0.00 0.00 66.02 67.17 2yu6 s SER 66 CO 0.21 -0.18 0.49 0.00 0.41 0.00 0.00 173.24 174.17 2yu6 s ARG 67 N 0.74 4.14 0.19 12.44 1.70 -1.24 -0.43 118.95 136.50 2yu6 s ARG 67 Ca -0.04 0.33 -0.32 0.00 -0.47 0.00 0.00 55.73 55.23 2yu6 s ARG 67 Cb -0.05 -3.59 -0.15 0.00 -0.57 0.00 0.00 34.95 30.58 2yu6 s ARG 67 CO -0.05 -0.21 1.09 -0.12 -1.08 0.00 0.00 175.30 174.93 2yu6 n MET 68 N 5.02 1.11 -0.05 3.89 0.00 0.87 0.01 117.12 127.97 2yu6 n MET 68 Ca -0.05 0.39 -0.05 0.00 -0.00 0.00 0.00 57.70 57.99 2yu6 n MET 68 Cb 0.50 -1.84 -0.07 0.00 0.00 0.00 0.00 33.22 31.81 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 1.84 2.65 -4.23 6.12 2.88 -1.13 -4.53 113.62 117.23 2yu6 n SER 69 Ca 0.14 -0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.54 2yu6 n SER 69 Cb 0.26 0.67 -0.10 0.00 -0.75 0.00 0.00 64.21 64.29 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 -4.26 1.56 0.81 -3.46 0.15 -1.25 -4.97 113.70 102.27 2yu6 s SER 70 Ca -0.06 -1.04 -0.12 0.00 0.70 0.00 0.00 55.95 55.44 2yu6 s SER 70 Cb 0.03 0.03 0.08 0.00 -1.71 0.00 0.00 66.02 64.45 2yu6 s SER 70 CO 0.39 -0.40 1.17 -1.83 1.20 0.00 0.00 173.24 173.77 2yu6 s GLU 71 N -3.79 1.99 -0.02 5.44 4.04 -1.26 -4.04 118.70 121.06 2yu6 s GLU 71 Ca 0.17 0.16 -0.20 0.00 0.04 0.00 0.00 54.97 55.13 2yu6 s GLU 71 Cb 0.04 -1.95 -0.05 0.00 0.02 0.00 0.00 34.13 32.19 2yu6 s GLU 71 CO -0.00 -1.59 0.59 0.42 -1.84 0.00 0.00 175.26 172.84 2yu6 s ILE 72 N -3.53 4.94 0.00 1.83 1.01 -1.26 -4.56 121.20 119.62 2yu6 s ILE 72 Ca 0.62 1.23 0.00 0.00 0.00 0.00 0.00 60.65 62.50 2yu6 s ILE 72 Cb -0.11 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.43 2yu6 s ILE 72 CO 0.50 0.40 0.00 0.61 0.00 0.00 0.00 174.94 176.45 2yu6 n GLY 73 N 2.55 0.33 0.24 6.18 0.00 -1.23 -4.92 105.19 108.33 2yu6 n GLY 73 Ca -0.07 -0.29 0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.06 -1.66 1.61 1.85 -1.26 -4.31 116.66 112.83 2yu6 n ARG 74 Ca 0.00 1.02 -0.46 0.00 -1.00 0.00 0.00 57.85 57.41 2yu6 n ARG 74 Cb 0.00 -1.60 -0.04 0.00 -1.05 0.00 0.00 32.46 29.77 2yu6 n ARG 74 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2yu6 n GLU 75 N -4.95 2.08 -4.08 2.89 -0.58 -1.26 -4.97 120.64 109.77 2yu6 n GLU 75 Ca 0.15 0.75 -0.12 0.00 -0.42 0.00 0.00 57.16 57.52 2yu6 n GLU 75 Cb 0.48 -2.50 -0.06 0.00 -0.57 0.00 0.00 31.44 28.78 2yu6 n GLU 75 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2yu6 s LYS 76 N 0.76 1.56 0.20 3.49 -0.14 -1.26 -3.11 119.74 121.24 2yu6 s LYS 76 Ca 0.78 -1.50 -0.23 0.00 -1.36 0.00 0.00 55.97 53.66 2yu6 s LYS 76 Cb -0.69 0.41 0.06 0.00 -1.68 0.00 0.00 37.83 35.93 2yu6 s LYS 76 CO 0.39 -0.62 0.96 0.45 -0.76 0.00 0.00 175.35 175.77 2yu6 s SER 77 N -3.12 -0.10 -0.00 2.83 0.15 -1.26 -5.02 113.70 107.18 2yu6 s SER 77 Ca 0.29 -0.58 -0.03 0.00 0.70 0.00 0.00 55.95 56.33 2yu6 s SER 77 Cb 0.01 0.54 -0.01 0.00 -1.71 0.00 0.00 66.02 64.86 2yu6 s SER 77 CO 0.13 -1.04 -0.06 1.67 1.20 0.00 0.00 173.24 175.14 2yu6 n GLN 78 N -0.55 0.09 -1.37 5.44 0.00 -1.26 -4.97 117.38 114.76 2yu6 n GLN 78 Ca -0.05 0.04 -0.51 0.00 -0.00 0.00 0.00 57.00 56.47 2yu6 n GLN 78 Cb 0.60 -0.50 -0.12 0.00 0.00 0.00 0.00 30.24 30.22 2yu6 n GLN 78 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2yu6 n ASP 79 N -3.17 0.85 -3.66 1.69 9.92 -1.26 -4.83 116.55 116.09 2yu6 n ASP 79 Ca -0.02 0.42 -0.07 0.00 -0.53 0.00 0.00 54.79 54.59 2yu6 n ASP 79 Cb 0.09 -0.99 -0.01 0.00 -0.64 0.00 0.00 41.12 39.58 2yu6 n ASP 79 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 2yu6 s TRP 80 N 7.48 -0.12 -0.16 1.24 0.23 -1.26 -5.00 118.94 121.35 2yu6 s TRP 80 Ca 1.23 -0.36 0.09 0.00 -2.03 0.00 0.00 56.10 55.03 2yu6 s TRP 80 Cb -1.27 0.72 -0.23 0.00 0.03 0.00 0.00 33.47 32.72 2yu6 s TRP 80 CO 0.56 -1.22 0.19 0.41 0.96 0.00 0.00 176.95 177.85 2yu6 n GLY 81 N -0.48 -0.77 2.80 0.98 0.00 -1.26 -4.90 105.19 101.55 2yu6 n GLY 81 Ca -0.05 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 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 -6.14 1.76 0.37 1.61 0.01 -1.26 -5.01 113.70 105.03 2yu6 s SER 82 Ca -0.17 -0.16 0.10 0.00 1.31 0.00 0.00 55.95 57.04 2yu6 s SER 82 Cb 0.07 -0.53 0.71 0.00 0.21 0.00 0.00 66.02 66.48 2yu6 s SER 82 CO 0.76 -0.18 1.85 0.00 0.41 0.00 0.00 173.24 176.08 2yu6 h ALA 83 N 8.29 1.40 -1.74 1.44 0.00 -1.96 -3.06 119.26 123.64 2yu6 h ALA 83 Ca -0.22 -0.28 0.51 0.00 0.00 0.00 0.00 54.91 54.92 2yu6 h ALA 83 Cb 1.13 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 2yu6 h ALA 83 CO 0.29 0.43 1.25 0.41 0.00 0.00 0.00 179.25 181.63 2yu6 n GLY 84 N -0.62 -0.87 3.17 0.00 0.00 -1.26 -4.54 105.19 101.06 2yu6 n GLY 84 Ca -0.01 0.62 -0.35 0.00 0.00 0.00 0.00 46.02 46.28 2yu6 n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yu6 n LEU 85 N -3.73 -3.71 -2.86 0.99 4.77 -1.16 -4.99 117.00 106.31 2yu6 n LEU 85 Ca 0.39 0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 56.53 2yu6 n LEU 85 Cb 1.78 -0.94 0.01 0.00 -2.33 0.00 0.00 43.42 41.94 2yu6 n LEU 85 CO 0.39 -5.08 0.07 0.61 -1.33 0.00 0.00 177.39 172.04 2yu6 n GLY 86 N 2.70 0.20 0.00 -0.72 0.00 -1.26 -5.08 105.19 101.04 2yu6 n GLY 86 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2yu6 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yu6 n GLY 87 N 2.36 3.02 3.50 -0.02 0.00 -1.26 -4.76 105.19 108.04 2yu6 n GLY 87 Ca 0.16 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 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 3.11 0.11 1.61 1.01 -1.18 -4.14 120.40 120.91 2yu6 s VAL 88 Ca 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.06 2yu6 s VAL 88 Cb 0.00 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2yu6 s VAL 88 CO 0.00 0.42 -0.09 0.72 0.00 0.00 0.00 175.10 176.15 2yu6 s PHE 89 N -0.90 1.03 0.69 5.22 -0.71 -0.67 -3.53 117.98 119.10 2yu6 s PHE 89 Ca 0.15 -0.77 -0.10 0.00 -1.04 0.00 0.00 56.93 55.17 2yu6 s PHE 89 Cb -0.11 -0.56 0.02 0.00 -1.21 0.00 0.00 43.02 41.16 2yu6 s PHE 89 CO 0.05 -0.04 1.05 0.15 -1.34 0.00 0.00 175.22 175.09 2yu6 s LYS 90 N -3.34 2.76 -0.11 1.99 1.02 -1.26 0.20 119.74 121.01 2yu6 s LYS 90 Ca 0.10 0.28 -0.09 0.00 0.02 0.00 0.00 55.97 56.28 2yu6 s LYS 90 Cb 0.01 -2.08 0.03 0.00 -0.52 0.00 0.00 37.83 35.27 2yu6 s LYS 90 CO -0.02 -1.01 0.28 0.14 -0.92 0.00 0.00 175.35 173.82 2yu6 s VAL 91 N -3.29 -0.01 -1.12 3.17 -7.23 -0.84 -2.82 120.40 108.26 2yu6 s VAL 91 Ca 0.58 0.04 -0.04 0.00 -1.81 0.00 0.00 61.98 60.74 2yu6 s VAL 91 Cb -0.11 -0.40 0.27 0.00 0.56 0.00 0.00 36.38 36.70 2yu6 s VAL 91 CO 0.50 0.01 1.74 1.21 -0.31 0.00 0.00 175.10 178.25 2yu6 n GLU 92 N 3.27 4.65 -1.47 4.82 2.13 0.10 -4.80 120.64 129.34 2yu6 n GLU 92 Ca -0.16 -4.32 -0.63 0.00 0.66 0.00 0.00 57.16 52.72 2yu6 n GLU 92 Cb 0.57 -2.57 -0.11 0.00 0.27 0.00 0.00 31.44 29.60 2yu6 n GLU 92 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 2yu6 n TRP 93 N 1.35 1.44 -0.03 4.31 7.02 -1.26 -3.63 117.44 126.64 2yu6 n TRP 93 Ca 0.38 0.89 -0.01 0.00 -1.02 0.00 0.00 57.50 57.74 2yu6 n TRP 93 Cb 0.31 -2.28 -0.00 0.00 -2.42 0.00 0.00 31.31 26.91 2yu6 n TRP 93 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 2yu6 h ILE 94 N 6.16 0.00 -3.61 -0.99 5.03 -1.94 -3.47 117.51 118.69 2yu6 h ILE 94 Ca -0.25 -0.50 -0.67 0.00 -0.12 0.00 0.00 64.86 63.31 2yu6 h ILE 94 Cb 1.39 0.00 -0.26 0.00 -3.03 0.00 0.00 36.82 34.92 2yu6 h ILE 94 CO 1.04 0.00 -0.78 -0.13 -0.68 0.00 0.00 178.15 177.60 2yu6 s ARG 95 N -1.40 3.02 -0.22 2.37 1.81 -1.26 -5.00 118.95 118.27 2yu6 s ARG 95 Ca -0.03 -0.71 0.14 0.00 -1.72 0.00 0.00 55.73 53.42 2yu6 s ARG 95 Cb 0.00 -2.50 0.53 0.00 -0.45 0.00 0.00 34.95 32.53 2yu6 s ARG 95 CO 0.04 0.37 1.46 1.63 -0.68 0.00 0.00 175.30 178.11 2yu6 n LYS 96 N 3.07 2.65 -2.42 3.54 5.02 -1.26 -4.05 118.16 124.71 2yu6 n LYS 96 Ca -0.18 -2.94 -0.25 0.00 -2.02 0.00 0.00 58.31 52.92 2yu6 n LYS 96 Cb 0.52 -1.86 0.05 0.00 -0.02 0.00 0.00 35.03 33.72 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 -2.96 2.55 -0.23 1.97 2.56 -1.26 -4.96 118.70 116.37 2yu6 s GLU 97 Ca 0.44 -0.32 -0.07 0.00 0.00 0.00 0.00 54.97 55.02 2yu6 s GLU 97 Cb 0.36 -2.30 -0.03 0.00 2.00 0.00 0.00 34.13 34.17 2yu6 s GLU 97 CO 0.07 -0.89 0.04 -1.54 -0.56 0.00 0.00 175.26 172.38 2yu6 s SER 98 N -4.41 5.03 -0.21 -1.70 1.04 -1.26 -4.17 113.70 108.03 2yu6 s SER 98 Ca 0.57 -0.20 -0.04 0.00 0.48 0.00 0.00 55.95 56.75 2yu6 s SER 98 Cb -0.11 -1.89 -0.02 0.00 0.10 0.00 0.00 66.02 64.11 2yu6 s SER 98 CO 0.43 0.00 -0.02 -0.22 0.98 0.00 0.00 173.24 174.41 2yu6 s LEU 99 N 1.38 3.08 0.23 2.42 2.96 -1.23 -4.85 118.68 122.68 2yu6 s LEU 99 Ca 0.05 -0.29 -0.30 0.00 -0.22 0.00 0.00 54.13 53.37 2yu6 s LEU 99 Cb -0.15 -1.78 -0.09 0.00 0.50 0.00 0.00 46.19 44.67 2yu6 s LEU 99 CO 0.02 0.03 1.28 -2.16 -1.32 0.00 0.00 176.35 174.20 2yu6 s PRO 100 N 1.19 4.42 0.31 0.98 0.04 -1.26 0.48 135.00 141.16 2yu6 s PRO 100 Ca 0.03 2.05 0.09 0.00 0.04 0.00 0.00 61.00 63.20 2yu6 s PRO 100 Cb -0.14 -3.17 0.87 0.00 0.04 0.00 0.00 34.50 32.10 2yu6 s PRO 100 CO 0.00 -0.18 1.71 0.74 0.04 0.00 0.00 177.00 179.31 2yu6 h PHE 101 N 4.78 0.89 -1.84 0.56 0.04 -1.83 0.17 116.94 119.72 2yu6 h PHE 101 Ca -0.46 0.04 0.53 0.00 2.80 0.00 0.00 57.97 60.88 2yu6 h PHE 101 Cb 1.22 -0.24 -0.07 0.00 2.20 0.00 0.00 35.95 39.05 2yu6 h PHE 101 CO 0.60 -0.01 1.36 0.37 -0.60 0.00 0.00 178.31 180.03 2yu6 h GLN 102 N 0.48 0.00 0.10 1.51 4.15 -1.91 1.45 115.11 120.90 2yu6 h GLN 102 Ca 0.64 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.82 2yu6 h GLN 102 Cb 1.25 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.97 2yu6 h GLN 102 CO -0.51 0.00 -0.98 0.74 -1.93 0.00 0.00 178.83 176.15 2yu6 h PHE 103 N 0.00 0.79 -0.58 3.99 -1.00 -1.02 -3.27 116.94 115.84 2yu6 h PHE 103 Ca 0.87 -0.50 -0.08 0.00 2.81 0.00 0.00 57.97 61.07 2yu6 h PHE 103 Cb 3.58 -0.06 -0.05 0.00 3.61 0.00 0.00 35.95 43.03 2yu6 h PHE 103 CO 0.00 1.36 0.10 0.00 -1.61 0.00 0.00 178.31 178.16 2yu6 n ALA 104 N -2.66 4.02 0.24 2.45 0.00 0.44 -4.29 120.51 120.72 2yu6 n ALA 104 Ca -0.13 -1.88 0.14 0.00 0.00 0.00 0.00 53.44 51.57 2yu6 n ALA 104 Cb 0.87 -1.17 0.38 0.00 0.00 0.00 0.00 19.45 19.54 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 3.13 0.00 0.00 0.00 6.17 -0.03 -3.10 115.15 121.32 2yu6 h HIS 105 Ca 0.10 0.00 -0.17 0.00 0.71 0.00 0.00 60.37 61.01 2yu6 h HIS 105 Cb 1.99 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 31.89 2yu6 h HIS 105 CO 1.07 0.03 -1.35 1.12 0.71 0.00 0.00 177.93 179.51 2yu6 h HIS 106 N 0.00 0.00 -3.85 5.26 2.07 -1.82 -3.47 115.15 113.33 2yu6 h HIS 106 Ca -0.00 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.03 2yu6 h HIS 106 Cb 0.81 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.79 2yu6 h HIS 106 CO 0.00 0.58 0.41 -0.51 -3.07 0.00 0.00 177.93 175.34 2yu6 s LEU 107 N -5.84 4.42 0.32 6.12 1.43 -1.17 -5.05 118.68 118.91 2yu6 s LEU 107 Ca -0.02 2.06 0.05 0.00 -1.03 0.00 0.00 54.13 55.18 2yu6 s LEU 107 Cb 0.09 -3.85 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 2yu6 s LEU 107 CO 0.81 -0.17 0.30 -0.76 0.23 0.00 0.00 176.35 176.76 2yu6 s LEU 108 N -1.84 1.56 -0.26 1.79 1.43 -1.26 -2.95 118.68 117.15 2yu6 s LEU 108 Ca 0.49 -1.68 0.01 0.00 -1.03 0.00 0.00 54.13 51.92 2yu6 s LEU 108 Cb -0.26 0.72 0.07 0.00 0.03 0.00 0.00 46.19 46.75 2yu6 s LEU 108 CO 0.32 -1.09 -0.02 0.21 0.23 0.00 0.00 176.35 176.00 2yu6 s ASN 109 N -3.33 4.03 0.00 2.29 3.04 0.16 -4.61 114.94 116.52 2yu6 s ASN 109 Ca 0.39 -1.39 0.12 0.00 0.04 0.00 0.00 52.86 52.02 2yu6 s ASN 109 Cb 0.02 -1.22 0.70 0.00 -1.54 0.00 0.00 41.25 39.21 2yu6 s ASN 109 CO 0.25 -0.28 1.13 -0.81 -3.04 0.00 0.00 177.10 174.35 2yu6 n PRO 110 N 4.62 0.49 -0.01 0.43 -0.04 -1.26 -1.99 135.00 137.24 2yu6 n PRO 110 Ca -0.08 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.48 2yu6 n PRO 110 Cb 0.43 -1.38 -0.16 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.88 0.01 -2.99 0.54 7.02 -1.26 -4.43 117.44 115.45 2yu6 n TRP 111 Ca 0.09 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.28 2yu6 n TRP 111 Cb 0.04 -0.45 -0.04 0.00 -2.42 0.00 0.00 31.31 28.44 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 -2.19 4.67 -3.70 -0.99 5.15 -0.84 -4.87 115.26 112.49 2yu6 n ASN 112 Ca -0.03 -3.65 -0.23 0.00 -0.60 0.00 0.00 54.58 50.07 2yu6 n ASN 112 Cb 0.55 -0.64 0.05 0.00 -0.53 0.00 0.00 39.78 39.20 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 -0.04 -2.76 -4.34 1.20 8.00 -1.26 -1.64 116.55 115.71 2yu6 n ASP 113 Ca 0.32 -0.75 -0.37 0.00 0.71 0.00 0.00 54.79 54.70 2yu6 n ASP 113 Cb 0.38 -4.29 -0.06 0.00 -0.02 0.00 0.00 41.12 37.13 2yu6 n ASP 113 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2yu6 n ASN 114 N -3.01 -1.90 -4.86 -2.24 4.13 -0.96 -4.91 115.26 101.51 2yu6 n ASN 114 Ca -0.18 -1.14 -0.34 0.00 1.68 0.00 0.00 54.58 54.60 2yu6 n ASN 114 Cb 0.63 -2.19 -0.05 0.00 -1.54 0.00 0.00 39.78 36.62 2yu6 n ASN 114 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2yu6 s LYS 115 N -7.08 3.82 0.51 3.52 -0.14 -0.65 -4.67 119.74 115.04 2yu6 s LYS 115 Ca 0.61 0.27 -0.21 0.00 -1.36 0.00 0.00 55.97 55.28 2yu6 s LYS 115 Cb -0.35 -2.90 -0.08 0.00 -1.68 0.00 0.00 37.83 32.82 2yu6 s LYS 115 CO 0.97 0.48 0.86 1.17 -0.76 0.00 0.00 175.35 178.07 2yu6 n LYS 116 N 0.61 0.97 -0.24 1.68 4.81 -1.26 0.38 118.16 125.11 2yu6 n LYS 116 Ca -0.05 0.36 0.04 0.00 -0.87 0.00 0.00 58.31 57.79 2yu6 n LYS 116 Cb 0.52 -1.97 0.15 0.00 0.02 0.00 0.00 35.03 33.75 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 0.87 0.43 -0.75 3.15 2.07 -1.79 0.35 116.25 120.60 2yu6 h VAL 117 Ca -0.46 -0.05 0.15 0.00 0.82 0.00 0.00 66.70 67.16 2yu6 h VAL 117 Cb 1.36 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 2yu6 h VAL 117 CO 0.52 0.03 0.50 0.06 0.02 0.00 0.00 177.57 178.70 2yu6 h GLN 118 N 0.15 0.40 -3.57 1.57 -0.00 -1.87 -3.14 115.11 108.65 2yu6 h GLN 118 Ca 0.38 -0.02 -0.61 0.00 -0.00 0.00 0.00 58.65 58.40 2yu6 h GLN 118 Cb 0.66 -0.09 0.01 0.00 -0.00 0.00 0.00 27.48 28.06 2yu6 h GLN 118 CO -0.58 0.26 3.16 -0.89 -0.00 0.00 0.00 178.83 180.78 2yu6 n ILE 119 N -4.48 3.29 -3.70 1.86 5.41 0.12 -4.79 119.36 117.08 2yu6 n ILE 119 Ca 0.14 -2.27 -0.13 0.00 1.00 0.00 0.00 62.75 61.49 2yu6 n ILE 119 Cb 0.53 -2.46 -0.13 0.00 -0.71 0.00 0.00 39.64 36.87 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 3.14 0.07 1.08 4.38 0.01 -1.19 -4.76 113.70 116.44 2yu6 s SER 120 Ca 0.55 0.52 -0.16 0.00 1.31 0.00 0.00 55.95 58.17 2yu6 s SER 120 Cb 0.15 0.49 0.23 0.00 0.21 0.00 0.00 66.02 67.10 2yu6 s SER 120 CO -0.04 -0.20 1.14 -0.13 0.41 0.00 0.00 173.24 174.43 2yu6 s ARG 121 N 1.79 -0.24 -0.41 12.44 3.00 -1.26 -4.86 118.95 129.41 2yu6 s ARG 121 Ca -0.04 0.05 -0.29 0.00 0.00 0.00 0.00 55.73 55.45 2yu6 s ARG 121 Cb -0.11 -1.70 0.01 0.00 0.00 0.00 0.00 34.95 33.14 2yu6 s ARG 121 CO -0.08 -3.08 1.47 0.16 0.00 0.00 0.00 175.30 173.77 2yu6 s ASP 122 N -3.99 6.25 0.00 0.23 -4.77 -1.25 -2.99 116.67 110.16 2yu6 s ASP 122 Ca 0.69 0.86 0.00 0.00 -3.30 0.00 0.00 52.55 50.80 2yu6 s ASP 122 Cb -0.11 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.18 2yu6 s ASP 122 CO 0.55 -1.49 0.00 0.61 0.70 0.00 0.00 175.17 175.54 2yu6 n GLY 123 N 5.15 1.68 3.76 2.12 0.00 0.81 -4.88 105.19 113.82 2yu6 n GLY 123 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2yu6 n GLY 123 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yu6 s GLN 124 N -0.27 4.10 -0.04 1.61 -1.52 -1.16 -4.94 119.66 117.45 2yu6 s GLN 124 Ca 0.00 -0.01 -0.30 0.00 -1.95 0.00 0.00 55.36 53.10 2yu6 s GLN 124 Cb 0.00 -3.38 -0.05 0.00 -0.22 0.00 0.00 33.01 29.36 2yu6 s GLN 124 CO 0.00 0.36 1.55 -2.00 -0.25 0.00 0.00 175.29 174.95 2yu6 s GLU 125 N 0.12 4.21 -0.07 2.91 2.12 -1.26 -3.07 118.70 123.66 2yu6 s GLU 125 Ca 0.14 2.10 -0.02 0.00 0.36 0.00 0.00 54.97 57.55 2yu6 s GLU 125 Cb -0.12 -3.81 -0.03 0.00 0.26 0.00 0.00 34.13 30.42 2yu6 s GLU 125 CO 0.03 -0.75 0.03 -1.17 -0.54 0.00 0.00 175.26 172.85 2yu6 s LEU 126 N 3.40 3.70 0.32 2.70 2.96 0.10 -4.88 118.68 126.98 2yu6 s LEU 126 Ca 0.69 0.17 -0.29 0.00 -0.22 0.00 0.00 54.13 54.48 2yu6 s LEU 126 Cb -0.32 -1.92 -0.10 0.00 0.50 0.00 0.00 46.19 44.34 2yu6 s LEU 126 CO 0.27 0.36 1.29 -0.70 -1.32 0.00 0.00 176.35 176.25 2yu6 s GLU 127 N -1.08 4.38 0.00 1.98 2.12 -1.26 -3.94 118.70 120.90 2yu6 s GLU 127 Ca 0.15 2.17 0.15 0.00 0.36 0.00 0.00 54.97 57.80 2yu6 s GLU 127 Cb -0.11 -3.09 0.68 0.00 0.26 0.00 0.00 34.13 31.87 2yu6 s GLU 127 CO 0.05 -0.16 1.43 -0.35 -0.54 0.00 0.00 175.26 175.69 2yu6 n PRO 128 N 0.97 0.11 -0.01 4.30 -0.04 -1.26 -0.48 135.00 138.59 2yu6 n PRO 128 Ca 0.00 0.20 -0.21 0.00 -0.04 0.00 0.00 63.50 63.45 2yu6 n PRO 128 Cb 0.42 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.25 2yu6 n PRO 128 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2yu6 h GLN 129 N 0.00 0.21 0.00 0.54 4.15 -1.98 -3.27 115.11 114.76 2yu6 h GLN 129 Ca 0.00 -0.36 -0.13 0.00 0.77 0.00 0.00 58.65 58.93 2yu6 h GLN 129 Cb 0.19 0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 2yu6 h GLN 129 CO 0.00 1.17 -1.34 1.33 -1.93 0.00 0.00 178.83 178.06 2yu6 n VAL 130 N -3.95 1.04 0.16 2.39 0.24 -1.14 -3.76 118.33 113.31 2yu6 n VAL 130 Ca -0.26 -0.66 0.02 0.00 -2.04 0.00 0.00 64.34 61.40 2yu6 n VAL 130 Cb 0.88 -0.63 0.24 0.00 -1.47 0.00 0.00 33.84 32.86 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 3.79 0.00 0.13 7.63 0.00 -0.96 -2.60 103.07 111.06 2yu6 h GLY 131 Ca -0.13 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 2yu6 h GLY 131 CO 0.03 0.00 -0.01 1.05 0.00 0.00 0.00 176.54 177.62 2yu6 h GLU 132 N 0.00 -0.02 0.00 4.80 4.11 -1.69 -3.19 114.58 118.58 2yu6 h GLU 132 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2yu6 h GLU 132 Cb 1.02 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2yu6 h GLU 132 CO 0.07 0.74 0.00 0.00 0.07 0.00 0.00 179.01 179.88 2yu6 n GLN 133 N -4.70 0.01 0.06 1.06 10.64 -1.24 -1.96 117.38 121.24 2yu6 n GLN 133 Ca -0.09 0.34 -0.13 0.00 -1.83 0.00 0.00 57.00 55.29 2yu6 n GLN 133 Cb 0.37 -1.52 -0.14 0.00 -0.86 0.00 0.00 30.24 28.10 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 0.24 -0.02 2.61 5.85 -1.48 -3.34 115.31 119.18 2yu6 h LEU 134 Ca 0.00 -0.32 -0.10 0.00 0.84 0.00 0.00 57.88 58.31 2yu6 h LEU 134 Cb 0.17 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.13 2yu6 h LEU 134 CO 0.00 1.26 -0.36 -0.07 -0.34 0.00 0.00 178.44 178.93 2yu6 h LEU 135 N 0.04 0.35 -1.81 2.25 3.38 -1.38 -3.19 115.31 114.96 2yu6 h LEU 135 Ca -0.17 -0.74 0.23 0.00 0.09 0.00 0.00 57.88 57.29 2yu6 h LEU 135 Cb 1.95 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.56 2yu6 h LEU 135 CO 0.15 1.04 0.73 0.06 0.09 0.00 0.00 178.44 180.51 2yu6 h GLN 136 N -0.31 0.00 -0.98 1.13 3.07 -1.67 0.12 115.11 116.47 2yu6 h GLN 136 Ca -0.04 0.00 0.19 0.00 0.09 0.00 0.00 58.65 58.89 2yu6 h GLN 136 Cb 1.08 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 28.55 2yu6 h GLN 136 CO 0.07 0.00 0.61 -0.07 0.09 0.00 0.00 178.83 179.54 2yu6 h LEU 137 N 0.00 0.70 -2.21 0.06 3.38 -1.66 0.38 115.31 115.95 2yu6 h LEU 137 Ca 0.37 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.47 2yu6 h LEU 137 Cb 1.82 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.51 2yu6 h LEU 137 CO -0.00 0.27 0.18 -0.50 0.09 0.00 0.00 178.44 178.47 2yu6 h TRP 138 N 0.69 0.00 0.00 1.13 6.55 -0.95 0.29 115.95 123.66 2yu6 h TRP 138 Ca 0.55 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.39 2yu6 h TRP 138 Cb 0.94 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.24 2yu6 h TRP 138 CO -0.00 0.00 0.00 0.93 -1.05 0.00 0.00 178.44 178.32 2yu6 h GLU 139 N 0.00 0.00 0.00 0.49 5.08 -0.40 -2.86 114.58 116.89 2yu6 h GLU 139 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2yu6 h GLU 139 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2yu6 h GLU 139 CO -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 179.01 177.79 2yu6 h ARG 140 N 0.00 0.00 0.00 2.33 3.08 -0.44 -3.53 114.38 115.82 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 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2yu6 h ARG 140 CO 0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18