#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 0.31 -0.11 1.61 0.01 -1.26 -5.17 113.70 109.09 2yu6 s SER 2 Ca 0.00 -0.72 -0.12 0.00 1.31 0.00 0.00 55.95 56.42 2yu6 s SER 2 Cb 0.00 0.21 0.03 0.00 0.21 0.00 0.00 66.02 66.47 2yu6 s SER 2 CO 0.00 -0.53 0.33 -0.55 0.41 0.00 0.00 173.24 172.90 2yu6 s SER 3 N -2.41 -0.33 -0.55 2.44 0.15 -1.26 -5.12 113.70 106.62 2yu6 s SER 3 Ca -0.01 0.60 -0.26 0.00 0.70 0.00 0.00 55.95 56.98 2yu6 s SER 3 Cb 0.02 0.64 0.03 0.00 -1.71 0.00 0.00 66.02 65.00 2yu6 s SER 3 CO -0.07 -0.16 1.06 -0.83 1.20 0.00 0.00 173.24 174.44 2yu6 s GLY 4 N -0.01 1.29 -0.16 9.45 0.00 -1.26 -4.88 107.32 111.74 2yu6 s GLY 4 Ca -0.02 -0.98 -0.20 0.00 0.00 0.00 0.00 44.72 43.52 2yu6 s GLY 4 CO 0.01 2.26 0.34 0.23 0.00 0.00 0.00 173.10 175.94 2yu6 h SER 5 N 9.38 0.00 -3.52 1.64 0.87 -2.04 -3.46 113.55 116.42 2yu6 h SER 5 Ca -0.25 -0.57 -0.53 0.00 -1.23 0.00 0.00 61.79 59.22 2yu6 h SER 5 Cb 1.07 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.99 2yu6 h SER 5 CO 1.13 1.11 0.01 -0.55 -0.53 0.00 0.00 176.83 178.00 2yu6 s SER 6 N -6.34 6.84 -0.04 6.23 0.15 -1.26 -5.07 113.70 114.20 2yu6 s SER 6 Ca -0.20 1.20 -0.31 0.00 0.70 0.00 0.00 55.95 57.34 2yu6 s SER 6 Cb 0.02 -2.34 0.11 0.00 -1.71 0.00 0.00 66.02 62.10 2yu6 s SER 6 CO 0.51 -0.03 1.14 -0.83 1.20 0.00 0.00 173.24 175.24 2yu6 s GLY 7 N -1.96 -0.35 0.38 9.45 0.00 -1.26 -4.95 107.32 108.62 2yu6 s GLY 7 Ca 0.45 0.94 -0.24 0.00 0.00 0.00 0.00 44.72 45.88 2yu6 s GLY 7 CO 0.20 0.27 0.97 0.54 0.00 0.00 0.00 173.10 175.07 2yu6 s VAL 8 N -2.68 4.19 0.52 1.40 0.11 -1.26 -4.16 120.40 118.53 2yu6 s VAL 8 Ca 0.11 1.60 0.09 0.00 -2.93 0.00 0.00 61.98 60.84 2yu6 s VAL 8 Cb 0.01 -3.78 0.05 0.00 -1.53 0.00 0.00 36.38 31.13 2yu6 s VAL 8 CO -0.04 -0.07 0.65 -0.13 -3.33 0.00 0.00 175.10 172.18 2yu6 s ARG 9 N -2.59 2.43 -0.09 1.54 1.81 -1.16 -4.88 118.95 116.00 2yu6 s ARG 9 Ca 0.56 -1.60 -0.02 0.00 -1.72 0.00 0.00 55.73 52.95 2yu6 s ARG 9 Cb -0.15 -2.56 0.04 0.00 -0.45 0.00 0.00 34.95 31.82 2yu6 s ARG 9 CO 0.20 -0.64 0.03 0.71 -0.68 0.00 0.00 175.30 174.93 2yu6 s TYR 10 N -2.60 0.48 -0.05 -0.53 1.51 -1.25 -1.28 117.35 113.63 2yu6 s TYR 10 Ca 0.55 -0.16 0.06 0.00 -1.01 0.00 0.00 57.07 56.52 2yu6 s TYR 10 Cb -0.06 -0.73 -0.01 0.00 -0.11 0.00 0.00 41.96 41.05 2yu6 s TYR 10 CO 0.34 -0.35 -0.25 -0.06 -1.11 0.00 0.00 175.55 174.12 2yu6 s PHE 11 N 2.04 2.37 -0.31 2.71 0.08 -0.51 0.77 117.98 125.13 2yu6 s PHE 11 Ca 0.04 -0.66 -0.19 0.00 0.12 0.00 0.00 56.93 56.24 2yu6 s PHE 11 Cb -0.13 -1.55 -0.01 0.00 -0.57 0.00 0.00 43.02 40.76 2yu6 s PHE 11 CO -0.05 -0.19 0.57 0.42 -0.10 0.00 0.00 175.22 175.87 2yu6 s ILE 12 N -0.22 4.99 -0.25 0.64 -1.09 -0.95 -1.51 121.20 122.82 2yu6 s ILE 12 Ca -0.01 0.71 -0.04 0.00 -2.23 0.00 0.00 60.65 59.08 2yu6 s ILE 12 Cb -0.13 -3.94 0.01 0.00 -1.58 0.00 0.00 42.46 36.82 2yu6 s ILE 12 CO 0.03 -0.10 -0.02 -0.04 -1.23 0.00 0.00 174.94 173.58 2yu6 s MET 13 N 2.47 3.08 0.21 2.79 -1.94 -0.65 -1.26 119.30 124.00 2yu6 s MET 13 Ca 0.22 -0.83 -0.12 0.00 -1.71 0.00 0.00 55.69 53.25 2yu6 s MET 13 Cb -0.15 -3.09 -0.07 0.00 2.01 0.00 0.00 34.83 33.53 2yu6 s MET 13 CO 0.12 -0.34 0.57 0.15 -0.01 0.00 0.00 175.02 175.50 2yu6 s LYS 14 N 1.42 3.88 -0.12 2.03 -0.14 -1.26 -1.40 119.74 124.16 2yu6 s LYS 14 Ca 0.03 0.39 0.01 0.00 -1.36 0.00 0.00 55.97 55.04 2yu6 s LYS 14 Cb -0.16 -2.71 0.02 0.00 -1.68 0.00 0.00 37.83 33.30 2yu6 s LYS 14 CO -0.02 0.35 -0.12 0.45 -0.76 0.00 0.00 175.35 175.24 2yu6 s SER 15 N -2.14 2.35 0.16 2.83 0.15 0.19 -4.88 113.70 112.35 2yu6 s SER 15 Ca 0.45 -0.39 -0.24 0.00 0.70 0.00 0.00 55.95 56.47 2yu6 s SER 15 Cb -0.12 -1.01 0.04 0.00 -1.71 0.00 0.00 66.02 63.21 2yu6 s SER 15 CO 0.20 -0.04 1.61 0.28 1.20 0.00 0.00 173.24 176.49 2yu6 h SER 16 N 7.75 -1.01 -1.53 5.45 0.02 -1.96 -0.25 113.55 122.01 2yu6 h SER 16 Ca -0.33 0.17 -0.62 0.00 -0.84 0.00 0.00 61.79 60.17 2yu6 h SER 16 Cb 1.15 0.47 -0.13 0.00 0.14 0.00 0.00 62.40 64.03 2yu6 h SER 16 CO 0.48 -0.32 -0.53 0.20 -1.14 0.00 0.00 176.83 175.51 2yu6 s ASN 17 N -5.03 3.58 -0.15 3.07 0.01 -1.26 -4.33 114.94 110.82 2yu6 s ASN 17 Ca -0.15 -1.62 -0.26 0.00 -0.71 0.00 0.00 52.86 50.13 2yu6 s ASN 17 Cb 0.13 0.39 -0.24 0.00 0.41 0.00 0.00 41.25 41.93 2yu6 s ASN 17 CO 0.67 -0.82 0.60 0.25 -1.51 0.00 0.00 177.10 176.29 2yu6 h LEU 18 N 1.57 0.04 -0.82 0.60 7.12 -1.99 -3.38 115.31 118.45 2yu6 h LEU 18 Ca -0.41 -0.84 0.10 0.00 0.13 0.00 0.00 57.88 56.86 2yu6 h LEU 18 Cb 1.29 -0.01 -0.12 0.00 -0.53 0.00 0.00 40.66 41.28 2yu6 h LEU 18 CO 0.69 1.19 -0.48 -0.09 -0.13 0.00 0.00 178.44 179.62 2yu6 h ARG 19 N -0.94 -0.10 -1.32 1.25 9.65 -2.00 0.74 114.38 121.67 2yu6 h ARG 19 Ca -0.12 0.01 0.43 0.00 -1.10 0.00 0.00 59.98 59.19 2yu6 h ARG 19 Cb 1.15 0.02 -0.12 0.00 -1.39 0.00 0.00 29.97 29.63 2yu6 h ARG 19 CO -0.05 -0.06 0.86 -0.91 2.80 0.00 0.00 179.97 182.60 2yu6 h ASN 20 N -0.10 0.24 0.11 -3.80 2.35 -2.00 1.44 115.58 113.82 2yu6 h ASN 20 Ca 0.21 0.13 -0.18 0.00 -0.55 0.00 0.00 56.30 55.92 2yu6 h ASN 20 Cb 0.53 0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.01 2yu6 h ASN 20 CO -0.85 -0.16 -0.65 0.25 -1.65 0.00 0.00 177.43 174.36 2yu6 h LEU 21 N 0.10 0.60 -0.94 1.61 5.85 0.33 -3.18 115.31 119.67 2yu6 h LEU 21 Ca 0.81 -0.36 0.21 0.00 0.84 0.00 0.00 57.88 59.38 2yu6 h LEU 21 Cb 2.54 -0.17 -0.11 0.00 0.37 0.00 0.00 40.66 43.29 2yu6 h LEU 21 CO -0.40 1.09 0.51 -0.33 -0.34 0.00 0.00 178.44 178.97 2yu6 h GLU 22 N 0.37 0.56 -0.87 1.25 4.39 0.25 0.24 114.58 120.78 2yu6 h GLU 22 Ca -0.02 -0.03 0.16 0.00 0.34 0.00 0.00 59.36 59.81 2yu6 h GLU 22 Cb 1.22 -0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 29.68 2yu6 h GLU 22 CO 0.12 0.37 0.57 0.82 -1.16 0.00 0.00 179.01 179.73 2yu6 h ILE 23 N 0.58 0.79 0.00 3.13 5.03 -1.51 0.40 117.51 125.94 2yu6 h ILE 23 Ca 0.57 -0.20 -0.00 0.00 -0.12 0.00 0.00 64.86 65.11 2yu6 h ILE 23 Cb 0.99 0.15 -0.00 0.00 -3.03 0.00 0.00 36.82 34.94 2yu6 h ILE 23 CO -0.45 0.11 -0.01 -1.28 -0.68 0.00 0.00 178.15 175.84 2yu6 h SER 24 N 0.59 0.00 0.82 1.72 0.87 -0.57 0.31 113.55 117.29 2yu6 h SER 24 Ca 0.44 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.78 2yu6 h SER 24 Cb 0.83 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.76 2yu6 h SER 24 CO -0.19 0.01 -1.27 1.56 -0.53 0.00 0.00 176.83 176.41 2yu6 h GLN 25 N 0.00 0.00 0.00 2.24 4.20 0.01 -2.82 115.11 118.73 2yu6 h GLN 25 Ca -0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 2yu6 h GLN 25 Cb 0.78 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 2yu6 h GLN 25 CO 0.00 0.64 -1.20 1.04 -0.67 0.00 0.00 178.83 178.64 2yu6 n GLN 26 N -3.15 0.53 0.11 1.46 1.13 -0.27 -4.54 117.38 112.66 2yu6 n GLN 26 Ca -0.08 0.27 -0.00 0.00 -1.94 0.00 0.00 57.00 55.25 2yu6 n GLN 26 Cb 0.94 -1.48 0.29 0.00 0.11 0.00 0.00 30.24 30.10 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 0.21 -0.08 -1.09 1.79 -0.60 -3.47 116.57 112.33 2yu6 h LYS 27 Ca -0.13 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 2yu6 h LYS 27 Cb 1.05 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2yu6 h LYS 27 CO -0.08 0.51 0.00 0.41 -1.08 0.00 0.00 179.45 179.21 2yu6 n GLY 28 N -0.44 0.53 3.23 3.86 0.00 -1.07 -5.01 105.19 106.29 2yu6 n GLY 28 Ca -0.01 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.08 0.01 -0.23 -0.61 -5.25 -1.25 -2.20 121.20 109.60 2yu6 s ILE 29 Ca 0.00 -2.00 -0.21 0.00 -0.99 0.00 0.00 60.65 57.45 2yu6 s ILE 29 Cb 0.00 -2.50 0.06 0.00 2.95 0.00 0.00 42.46 42.97 2yu6 s ILE 29 CO 0.00 0.00 0.60 0.86 -1.79 0.00 0.00 174.94 174.61 2yu6 s TRP 30 N -3.93 -0.66 -0.21 1.37 -0.11 0.94 -3.54 118.94 112.80 2yu6 s TRP 30 Ca 0.39 1.61 0.02 0.00 1.22 0.00 0.00 56.10 59.34 2yu6 s TRP 30 Cb 0.06 0.23 0.04 0.00 -1.50 0.00 0.00 33.47 32.29 2yu6 s TRP 30 CO 0.17 -0.32 -0.16 0.45 -4.62 0.00 0.00 176.95 172.47 2yu6 s SER 31 N 0.32 3.65 0.44 5.86 0.15 -1.26 -2.05 113.70 120.80 2yu6 s SER 31 Ca -0.00 -0.95 0.07 0.00 0.70 0.00 0.00 55.95 55.77 2yu6 s SER 31 Cb -0.04 -1.49 -0.03 0.00 -1.71 0.00 0.00 66.02 62.75 2yu6 s SER 31 CO 0.01 -0.08 0.27 0.28 1.20 0.00 0.00 173.24 174.92 2yu6 s THR 32 N 1.23 2.29 0.41 6.45 -1.32 -1.26 -5.00 115.64 118.43 2yu6 s THR 32 Ca -0.01 -1.56 -0.26 0.00 -1.21 0.00 0.00 61.69 58.65 2yu6 s THR 32 Cb -0.16 -2.85 -0.10 0.00 -1.51 0.00 0.00 72.50 67.88 2yu6 s THR 32 CO -0.10 0.00 1.35 1.07 -2.21 0.00 0.00 174.62 174.73 2yu6 n THR 33 N -1.42 2.43 0.98 5.08 5.66 -1.26 -4.50 114.28 121.25 2yu6 n THR 33 Ca -0.00 -0.50 0.05 0.00 -3.05 0.00 0.00 64.05 60.55 2yu6 n THR 33 Cb 0.64 -1.71 0.30 0.00 -1.55 0.00 0.00 70.33 68.01 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 0.14 0.49 0.00 1.09 -0.04 -1.26 -1.99 135.00 133.43 2yu6 n PRO 34 Ca 0.05 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.62 2yu6 n PRO 34 Cb 0.39 -1.32 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.82 0.76 -0.09 3.54 7.64 -1.26 -4.21 113.62 119.17 2yu6 n SER 35 Ca 0.08 -0.64 0.02 0.00 1.01 0.00 0.00 58.87 59.34 2yu6 n SER 35 Cb 0.03 0.86 0.03 0.00 -1.01 0.00 0.00 64.21 64.12 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 -1.62 1.17 -0.04 6.43 3.02 -0.84 -4.80 115.26 118.58 2yu6 n ASN 36 Ca 0.03 -1.92 -0.15 0.00 -0.03 0.00 0.00 54.58 52.52 2yu6 n ASN 36 Cb 0.36 -0.11 -0.13 0.00 -0.61 0.00 0.00 39.78 39.29 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 0.08 -0.12 3.52 5.08 -1.69 -3.35 114.58 118.09 2yu6 h GLU 37 Ca 0.00 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2yu6 h GLU 37 Cb 0.88 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2yu6 h GLU 37 CO 0.00 0.98 -0.07 -2.13 -1.00 0.00 0.00 179.01 176.78 2yu6 n ARG 38 N -4.54 -0.05 -0.24 2.33 0.00 -1.26 -0.90 116.66 112.00 2yu6 n ARG 38 Ca -0.10 0.78 -0.07 0.00 -0.00 0.00 0.00 57.85 58.45 2yu6 n ARG 38 Cb 0.51 -1.16 -0.06 0.00 0.00 0.00 0.00 32.46 31.75 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 -0.03 -0.99 -0.14 2.10 -1.94 0.62 116.57 116.19 2yu6 h LYS 39 Ca 0.02 0.00 0.33 0.00 -2.00 0.00 0.00 60.65 59.01 2yu6 h LYS 39 Cb 0.05 0.01 -0.15 0.00 -0.90 0.00 0.00 32.23 31.23 2yu6 h LYS 39 CO -0.12 -0.02 0.54 -0.07 -2.00 0.00 0.00 179.45 177.78 2yu6 h LEU 40 N -0.03 0.43 0.18 7.07 3.38 -1.15 0.62 115.31 125.82 2yu6 h LEU 40 Ca 0.09 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 2yu6 h LEU 40 Cb 0.27 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2yu6 h LEU 40 CO -0.56 -0.20 -0.09 0.78 0.09 0.00 0.00 178.44 178.47 2yu6 h ASN 41 N 0.25 -0.21 0.03 -0.43 4.21 0.18 -2.53 115.58 117.08 2yu6 h ASN 41 Ca 0.74 0.01 0.02 0.00 1.21 0.00 0.00 56.30 58.28 2yu6 h ASN 41 Cb 1.74 0.05 -0.05 0.00 -1.12 0.00 0.00 38.32 38.94 2yu6 h ASN 41 CO -0.64 -0.04 -0.50 -0.09 -1.29 0.00 0.00 177.43 174.86 2yu6 h ARG 42 N -0.45 -0.65 -0.78 0.81 9.65 0.13 -1.66 114.38 121.43 2yu6 h ARG 42 Ca -0.03 0.04 0.18 0.00 -1.10 0.00 0.00 59.98 59.08 2yu6 h ARG 42 Cb 0.19 0.15 -0.14 0.00 -1.39 0.00 0.00 29.97 28.78 2yu6 h ARG 42 CO 0.04 -0.43 0.02 0.00 2.80 0.00 0.00 179.97 182.40 2yu6 h ALA 43 N -0.34 0.84 -0.09 2.80 0.00 0.06 1.13 119.26 123.65 2yu6 h ALA 43 Ca 0.02 0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.20 2yu6 h ALA 43 Cb 0.72 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2yu6 h ALA 43 CO -0.33 -0.43 0.08 0.35 0.00 0.00 0.00 179.25 178.92 2yu6 h PHE 44 N 0.10 0.00 0.00 0.00 3.57 -0.87 1.63 116.94 121.37 2yu6 h PHE 44 Ca 0.44 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.72 2yu6 h PHE 44 Cb 0.78 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 2yu6 h PHE 44 CO -0.43 0.00 -1.66 0.91 -2.23 0.00 0.00 178.31 174.90 2yu6 n TRP 45 N -4.11 0.78 0.79 0.41 8.01 0.33 -4.02 117.44 119.63 2yu6 n TRP 45 Ca -0.01 0.27 0.12 0.00 -1.31 0.00 0.00 57.50 56.57 2yu6 n TRP 45 Cb 0.19 -1.06 0.15 0.00 -2.01 0.00 0.00 31.31 28.58 2yu6 n TRP 45 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 2yu6 n GLU 46 N -2.86 2.37 -4.15 -0.99 -0.58 0.21 -4.95 120.64 109.69 2yu6 n GLU 46 Ca -0.14 -2.02 -0.12 0.00 -0.42 0.00 0.00 57.16 54.45 2yu6 n GLU 46 Cb 0.92 -1.48 -0.10 0.00 -0.57 0.00 0.00 31.44 30.20 2yu6 n GLU 46 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2yu6 s SER 47 N -1.83 1.19 0.12 1.62 0.01 0.54 -4.69 113.70 110.65 2yu6 s SER 47 Ca 0.32 -0.87 -0.14 0.00 1.31 0.00 0.00 55.95 56.57 2yu6 s SER 47 Cb 0.21 0.06 -0.05 0.00 0.21 0.00 0.00 66.02 66.45 2yu6 s SER 47 CO 0.31 -0.36 1.49 -1.28 0.41 0.00 0.00 173.24 173.81 2yu6 h SER 48 N 3.40 0.78 -5.39 2.44 0.87 -1.83 -3.43 113.55 110.40 2yu6 h SER 48 Ca -0.36 -0.40 -0.16 0.00 -1.23 0.00 0.00 61.79 59.64 2yu6 h SER 48 Cb 1.18 -0.22 -0.14 0.00 -0.44 0.00 0.00 62.40 62.79 2yu6 h SER 48 CO 0.57 1.01 -0.50 -0.63 -0.53 0.00 0.00 176.83 176.76 2yu6 s ILE 49 N -4.62 0.07 -0.28 2.23 1.01 -1.26 -5.02 121.20 113.32 2yu6 s ILE 49 Ca -0.12 -1.72 -0.02 0.00 0.00 0.00 0.00 60.65 58.79 2yu6 s ILE 49 Cb 0.10 -2.06 0.09 0.00 0.01 0.00 0.00 42.46 40.60 2yu6 s ILE 49 CO 0.82 -0.30 0.10 -0.69 0.00 0.00 0.00 174.94 174.87 2yu6 s VAL 50 N -4.04 0.52 -0.13 2.92 1.01 -1.26 -2.99 120.40 116.42 2yu6 s VAL 50 Ca 0.24 -1.04 -0.27 0.00 0.00 0.00 0.00 61.98 60.91 2yu6 s VAL 50 Cb 0.05 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 2yu6 s VAL 50 CO 0.03 -0.60 0.91 -0.31 0.00 0.00 0.00 175.10 175.14 2yu6 s TYR 51 N 1.81 3.47 -0.29 5.22 2.02 -0.41 -0.15 117.35 129.04 2yu6 s TYR 51 Ca 0.07 1.42 0.03 0.00 -0.37 0.00 0.00 57.07 58.23 2yu6 s TYR 51 Cb -0.17 -3.09 0.08 0.00 -0.40 0.00 0.00 41.96 38.37 2yu6 s TYR 51 CO -0.25 -0.22 -0.04 -0.51 -1.57 0.00 0.00 175.55 172.96 2yu6 s LEU 52 N 2.04 3.70 -0.54 -1.29 1.43 -0.36 -1.42 118.68 122.24 2yu6 s LEU 52 Ca 0.43 -1.63 -0.28 0.00 -1.03 0.00 0.00 54.13 51.62 2yu6 s LEU 52 Cb -0.17 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.59 2yu6 s LEU 52 CO 0.15 -0.27 1.15 -0.69 0.23 0.00 0.00 176.35 176.92 2yu6 s VAL 53 N 1.10 4.12 0.22 -1.59 1.01 -0.57 -1.43 120.40 123.27 2yu6 s VAL 53 Ca -0.01 1.00 -0.20 0.00 0.00 0.00 0.00 61.98 62.77 2yu6 s VAL 53 Cb -0.19 -4.67 -0.08 0.00 0.00 0.00 0.00 36.38 31.44 2yu6 s VAL 53 CO -0.07 -1.19 0.73 -0.36 0.00 0.00 0.00 175.10 174.21 2yu6 s PHE 54 N 4.69 3.66 -0.19 5.22 0.40 -0.17 -1.64 117.98 129.94 2yu6 s PHE 54 Ca 0.44 1.41 -0.16 0.00 -0.60 0.00 0.00 56.93 58.02 2yu6 s PHE 54 Cb -0.08 -2.63 0.05 0.00 0.51 0.00 0.00 43.02 40.87 2yu6 s PHE 54 CO 0.28 0.34 0.49 0.45 0.70 0.00 0.00 175.22 177.48 2yu6 s SER 55 N -1.64 -0.54 -0.19 1.36 0.15 -0.49 -2.10 113.70 110.25 2yu6 s SER 55 Ca 0.43 1.01 -0.21 0.00 0.70 0.00 0.00 55.95 57.89 2yu6 s SER 55 Cb -0.17 1.00 -0.03 0.00 -1.71 0.00 0.00 66.02 65.11 2yu6 s SER 55 CO 0.21 -0.18 0.62 -0.69 1.20 0.00 0.00 173.24 174.40 2yu6 s VAL 56 N 0.50 5.03 0.25 4.45 1.01 -1.26 0.56 120.40 130.94 2yu6 s VAL 56 Ca -0.02 1.16 -0.12 0.00 0.00 0.00 0.00 61.98 63.00 2yu6 s VAL 56 Cb -0.04 -3.93 0.34 0.00 0.00 0.00 0.00 36.38 32.75 2yu6 s VAL 56 CO -0.02 0.12 1.57 -0.61 0.00 0.00 0.00 175.10 176.16 2yu6 h GLN 57 N 7.46 -0.01 0.00 2.72 4.15 -1.23 -3.10 115.11 125.10 2yu6 h GLN 57 Ca -0.32 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.10 2yu6 h GLN 57 Cb 1.15 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.84 2yu6 h GLN 57 CO 0.77 -0.01 0.00 0.41 -1.93 0.00 0.00 178.83 178.07 2yu6 n GLY 58 N -1.55 -2.75 3.21 2.39 0.00 -1.26 -4.73 105.19 100.50 2yu6 n GLY 58 Ca 0.12 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.64 2yu6 n GLY 58 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yu6 n SER 59 N -0.32 -0.50 -1.48 1.61 7.64 -1.17 -4.79 113.62 114.60 2yu6 n SER 59 Ca 0.00 1.06 -0.09 0.00 1.01 0.00 0.00 58.87 60.85 2yu6 n SER 59 Cb 0.00 -0.87 0.08 0.00 -1.01 0.00 0.00 64.21 62.42 2yu6 n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu6 n GLY 60 N 1.59 2.97 3.41 0.23 0.00 -1.26 -4.59 105.19 107.53 2yu6 n GLY 60 Ca 0.18 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.40 1.83 -0.49 1.61 3.76 -1.26 -4.10 115.29 115.24 2yu6 s HIS 61 Ca 0.24 -1.02 -0.20 0.00 -0.15 0.00 0.00 55.06 53.92 2yu6 s HIS 61 Cb 0.20 -1.16 0.04 0.00 1.11 0.00 0.00 32.58 32.77 2yu6 s HIS 61 CO 0.05 -0.09 0.67 -0.06 -0.85 0.00 0.00 174.74 174.46 2yu6 s PHE 62 N -3.43 3.02 0.65 1.40 0.08 -1.02 -4.33 117.98 114.34 2yu6 s PHE 62 Ca 0.37 -0.29 0.17 0.00 0.12 0.00 0.00 56.93 57.30 2yu6 s PHE 62 Cb 0.08 -3.54 0.95 0.00 -0.57 0.00 0.00 43.02 39.95 2yu6 s PHE 62 CO 0.15 -1.02 1.53 1.96 -0.10 0.00 0.00 175.22 177.74 2yu6 h GLN 63 N 9.00 0.00 0.00 0.44 1.08 -1.73 -3.28 115.11 120.62 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 1.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 2yu6 h GLN 63 CO 0.95 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 179.24 2yu6 n GLY 64 N -1.33 0.56 3.38 3.46 0.00 -1.05 -4.56 105.19 105.65 2yu6 n GLY 64 Ca -0.01 -1.93 -0.15 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.66 -0.41 -0.07 1.61 -0.12 -1.25 -1.00 117.98 115.09 2yu6 s PHE 65 Ca 0.00 0.56 -0.05 0.00 -0.05 0.00 0.00 56.93 57.39 2yu6 s PHE 65 Cb 0.00 0.29 0.03 0.00 -0.63 0.00 0.00 43.02 42.71 2yu6 s PHE 65 CO 0.00 -0.57 0.18 -1.12 -0.05 0.00 0.00 175.22 173.66 2yu6 s SER 66 N -1.64 -0.18 -0.16 1.98 0.01 -0.52 -2.98 113.70 110.21 2yu6 s SER 66 Ca -0.09 0.37 -0.23 0.00 1.31 0.00 0.00 55.95 57.32 2yu6 s SER 66 Cb -0.01 0.33 -0.02 0.00 0.21 0.00 0.00 66.02 66.52 2yu6 s SER 66 CO 0.02 -0.10 0.70 0.00 0.41 0.00 0.00 173.24 174.28 2yu6 s ARG 67 N 0.56 4.29 0.18 12.44 1.70 -0.08 -1.23 118.95 136.81 2yu6 s ARG 67 Ca -0.04 0.79 -0.33 0.00 -0.47 0.00 0.00 55.73 55.69 2yu6 s ARG 67 Cb -0.05 -3.55 -0.15 0.00 -0.57 0.00 0.00 34.95 30.63 2yu6 s ARG 67 CO -0.03 -0.20 1.24 -0.12 -1.08 0.00 0.00 175.30 175.12 2yu6 n MET 68 N 4.81 1.37 -0.03 3.89 0.00 0.79 -0.42 117.12 127.54 2yu6 n MET 68 Ca 0.00 0.49 -0.01 0.00 -0.00 0.00 0.00 57.70 58.18 2yu6 n MET 68 Cb 0.50 -2.04 -0.06 0.00 0.00 0.00 0.00 33.22 31.61 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 2.13 3.08 -4.11 6.12 2.88 -1.21 -4.53 113.62 117.98 2yu6 n SER 69 Ca 0.15 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.60 2yu6 n SER 69 Cb 0.26 0.92 -0.10 0.00 -0.75 0.00 0.00 64.21 64.54 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 -3.63 0.76 1.00 -3.46 0.15 -1.26 -4.97 113.70 102.30 2yu6 s SER 70 Ca -0.04 -0.94 -0.15 0.00 0.70 0.00 0.00 55.95 55.52 2yu6 s SER 70 Cb 0.03 0.14 0.19 0.00 -1.71 0.00 0.00 66.02 64.68 2yu6 s SER 70 CO 0.33 -0.50 1.18 -1.83 1.20 0.00 0.00 173.24 173.62 2yu6 s GLU 71 N -3.57 0.39 -0.12 5.44 -1.05 -1.26 -4.07 118.70 114.46 2yu6 s GLU 71 Ca 0.06 -0.00 -0.13 0.00 -0.15 0.00 0.00 54.97 54.75 2yu6 s GLU 71 Cb 0.05 -1.78 -0.05 0.00 -0.44 0.00 0.00 34.13 31.91 2yu6 s GLU 71 CO -0.07 -2.65 0.29 0.42 0.95 0.00 0.00 175.26 174.20 2yu6 s ILE 72 N -3.38 5.28 0.00 1.83 1.01 -1.26 -4.41 121.20 120.27 2yu6 s ILE 72 Ca 0.68 0.55 0.00 0.00 0.00 0.00 0.00 60.65 61.88 2yu6 s ILE 72 Cb -0.10 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.76 2yu6 s ILE 72 CO 0.54 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.56 2yu6 n GLY 73 N 2.81 1.68 0.34 6.18 0.00 -1.14 -4.86 105.19 110.19 2yu6 n GLY 73 Ca -0.14 -0.59 0.32 0.00 0.00 0.00 0.00 46.02 45.61 2yu6 n GLY 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2yu6 n ARG 74 N 0.00 -0.05 -2.73 1.61 0.63 -1.26 -4.15 116.66 110.72 2yu6 n ARG 74 Ca 0.00 1.21 -0.42 0.00 -0.92 0.00 0.00 57.85 57.72 2yu6 n ARG 74 Cb 0.00 -2.25 -0.03 0.00 0.45 0.00 0.00 32.46 30.63 2yu6 n ARG 74 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2yu6 s GLU 75 N -5.28 4.56 0.01 -0.14 0.41 -1.25 -5.05 118.70 111.97 2yu6 s GLU 75 Ca -0.08 1.39 0.00 0.00 -0.41 0.00 0.00 54.97 55.88 2yu6 s GLU 75 Cb 0.30 -3.46 -0.01 0.00 -1.78 0.00 0.00 34.13 29.18 2yu6 s GLU 75 CO 0.72 -0.03 -0.02 0.15 -0.49 0.00 0.00 175.26 175.59 2yu6 s LYS 76 N 0.95 0.21 0.36 1.61 -0.14 -1.26 -2.81 119.74 118.66 2yu6 s LYS 76 Ca 0.51 -0.39 0.04 0.00 -1.36 0.00 0.00 55.97 54.77 2yu6 s LYS 76 Cb -0.21 0.05 -0.03 0.00 -1.68 0.00 0.00 37.83 35.96 2yu6 s LYS 76 CO 0.28 -0.03 0.16 0.45 -0.76 0.00 0.00 175.35 175.45 2yu6 s SER 77 N -0.92 2.19 0.04 2.83 0.15 -1.26 -5.05 113.70 111.67 2yu6 s SER 77 Ca -0.10 -1.64 -0.01 0.00 0.70 0.00 0.00 55.95 54.90 2yu6 s SER 77 Cb -0.06 0.46 -0.00 0.00 -1.71 0.00 0.00 66.02 64.70 2yu6 s SER 77 CO -0.01 -0.93 -0.02 1.67 1.20 0.00 0.00 173.24 175.15 2yu6 n GLN 78 N -0.75 0.03 -1.66 5.44 -0.06 -1.26 -5.02 117.38 114.10 2yu6 n GLN 78 Ca -0.01 0.01 -0.53 0.00 -2.00 0.00 0.00 57.00 54.47 2yu6 n GLN 78 Cb 0.64 -0.35 -0.06 0.00 -4.06 0.00 0.00 30.24 26.42 2yu6 n GLN 78 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2yu6 n ASP 79 N -3.08 2.45 -3.56 1.69 9.92 -1.26 -4.92 116.55 117.78 2yu6 n ASP 79 Ca -0.01 1.07 -0.06 0.00 -0.53 0.00 0.00 54.79 55.26 2yu6 n ASP 79 Cb 0.03 -1.23 -0.02 0.00 -0.64 0.00 0.00 41.12 39.26 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 2.40 -0.23 -0.17 1.24 0.23 -1.26 -5.04 118.94 116.11 2yu6 s TRP 80 Ca 0.91 0.13 -0.04 0.00 -2.03 0.00 0.00 56.10 55.07 2yu6 s TRP 80 Cb -0.92 0.53 -0.23 0.00 0.03 0.00 0.00 33.47 32.88 2yu6 s TRP 80 CO 0.54 -0.40 0.17 0.41 0.96 0.00 0.00 176.95 178.63 2yu6 n GLY 81 N -0.20 -0.50 3.27 0.98 0.00 -1.26 -4.83 105.19 102.66 2yu6 n GLY 81 Ca -0.05 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 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 -6.85 5.32 0.47 1.61 0.01 -1.26 -4.96 113.70 108.04 2yu6 s SER 82 Ca -0.26 -1.15 0.13 0.00 1.31 0.00 0.00 55.95 55.98 2yu6 s SER 82 Cb 0.07 -1.87 1.11 0.00 0.21 0.00 0.00 66.02 65.54 2yu6 s SER 82 CO 0.71 -0.33 2.08 0.00 0.41 0.00 0.00 173.24 176.12 2yu6 h ALA 83 N 8.22 1.94 -0.10 1.44 0.00 -1.99 -3.35 119.26 125.42 2yu6 h ALA 83 Ca -0.23 -0.01 -0.41 0.00 0.00 0.00 0.00 54.91 54.26 2yu6 h ALA 83 Cb 1.08 -0.07 0.06 0.00 0.00 0.00 0.00 17.79 18.86 2yu6 h ALA 83 CO 0.60 0.02 1.15 0.41 0.00 0.00 0.00 179.25 181.44 2yu6 n GLY 84 N -1.52 0.76 3.23 0.00 0.00 -1.26 -4.81 105.19 101.59 2yu6 n GLY 84 Ca 0.02 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 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 6.69 1.68 -0.37 0.99 1.43 -1.26 -4.93 118.68 122.92 2yu6 s LEU 85 Ca 0.70 -1.29 -0.02 0.00 -1.03 0.00 0.00 54.13 52.49 2yu6 s LEU 85 Cb 0.07 0.16 0.19 0.00 0.03 0.00 0.00 46.19 46.64 2yu6 s LEU 85 CO 0.22 -0.71 0.91 -0.83 0.23 0.00 0.00 176.35 176.17 2yu6 s GLY 86 N -3.17 -1.52 0.00 -3.19 0.00 -1.26 -5.06 107.32 93.12 2yu6 s GLY 86 Ca 0.31 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.69 2yu6 s GLY 86 CO 0.08 4.07 0.00 0.61 0.00 0.00 0.00 173.10 177.85 2yu6 n GLY 87 N 3.56 1.83 3.91 0.20 0.00 -1.26 -4.63 105.19 108.80 2yu6 n GLY 87 Ca 0.10 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 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 5.41 0.08 1.61 1.01 -1.12 -4.30 120.40 123.09 2yu6 s VAL 88 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 2yu6 s VAL 88 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 2yu6 s VAL 88 CO 0.00 0.26 0.06 0.72 0.00 0.00 0.00 175.10 176.14 2yu6 s PHE 89 N -1.39 0.47 0.72 5.22 -0.71 -0.87 -2.88 117.98 118.54 2yu6 s PHE 89 Ca 0.30 -0.95 -0.10 0.00 -1.04 0.00 0.00 56.93 55.14 2yu6 s PHE 89 Cb -0.13 -0.30 0.04 0.00 -1.21 0.00 0.00 43.02 41.42 2yu6 s PHE 89 CO 0.22 -0.47 1.08 0.15 -1.34 0.00 0.00 175.22 174.87 2yu6 s LYS 90 N -3.93 2.53 -0.25 1.99 1.02 -1.26 -0.04 119.74 119.81 2yu6 s LYS 90 Ca 0.10 0.20 -0.17 0.00 0.02 0.00 0.00 55.97 56.12 2yu6 s LYS 90 Cb 0.07 -2.06 0.07 0.00 -0.52 0.00 0.00 37.83 35.39 2yu6 s LYS 90 CO -0.08 -1.17 0.62 0.14 -0.92 0.00 0.00 175.35 173.94 2yu6 s VAL 91 N -3.35 -0.00 -0.38 3.17 -7.23 -0.94 -3.31 120.40 108.35 2yu6 s VAL 91 Ca 0.59 0.02 -0.20 0.00 -1.81 0.00 0.00 61.98 60.57 2yu6 s VAL 91 Cb -0.11 -0.89 0.01 0.00 0.56 0.00 0.00 36.38 35.95 2yu6 s VAL 91 CO 0.49 0.01 0.63 -0.70 -0.31 0.00 0.00 175.10 175.22 2yu6 s GLU 92 N 1.17 3.55 -0.15 4.82 -6.30 0.44 -4.70 118.70 117.53 2yu6 s GLU 92 Ca -0.07 -0.09 -0.28 0.00 -2.50 0.00 0.00 54.97 52.03 2yu6 s GLU 92 Cb -0.05 -3.86 -0.01 0.00 0.00 0.00 0.00 34.13 30.21 2yu6 s GLU 92 CO -0.12 -0.82 0.96 -1.58 0.02 0.00 0.00 175.26 173.72 2yu6 s TRP 93 N 2.74 3.45 -0.19 5.30 0.52 -1.26 -0.90 118.94 128.60 2yu6 s TRP 93 Ca 0.24 1.47 -0.16 0.00 0.02 0.00 0.00 56.10 57.67 2yu6 s TRP 93 Cb -0.14 -3.15 -0.07 0.00 -1.15 0.00 0.00 33.47 28.95 2yu6 s TRP 93 CO 0.16 -0.28 -0.33 -0.89 0.02 0.00 0.00 176.95 175.63 2yu6 n ILE 94 N 4.76 1.47 -5.12 2.03 -0.00 -1.16 -4.99 119.36 116.35 2yu6 n ILE 94 Ca 0.08 0.02 -0.32 0.00 -0.00 0.00 0.00 62.75 62.53 2yu6 n ILE 94 Cb 0.48 -2.19 -0.16 0.00 -0.00 0.00 0.00 39.64 37.77 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 -2.76 2.95 -0.01 0.38 1.81 -1.26 -4.99 118.95 115.07 2yu6 s ARG 95 Ca -0.30 -0.84 0.07 0.00 -1.72 0.00 0.00 55.73 52.94 2yu6 s ARG 95 Cb 0.06 -2.33 0.18 0.00 -0.45 0.00 0.00 34.95 32.41 2yu6 s ARG 95 CO 0.42 0.27 1.15 1.63 -0.68 0.00 0.00 175.30 178.09 2yu6 n LYS 96 N 3.29 2.89 -3.13 3.54 5.02 -1.26 -3.80 118.16 124.71 2yu6 n LYS 96 Ca -0.18 -1.85 -0.36 0.00 -2.02 0.00 0.00 58.31 53.89 2yu6 n LYS 96 Cb 0.53 -1.18 -0.06 0.00 -0.02 0.00 0.00 35.03 34.30 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 -1.10 4.21 -0.32 1.97 2.56 -1.26 -4.93 118.70 119.83 2yu6 s GLU 97 Ca 0.14 0.82 -0.27 0.00 0.00 0.00 0.00 54.97 55.66 2yu6 s GLU 97 Cb 0.08 -2.87 0.01 0.00 2.00 0.00 0.00 34.13 33.35 2yu6 s GLU 97 CO 0.09 0.40 0.98 0.45 -0.56 0.00 0.00 175.26 176.61 2yu6 s SER 98 N -1.68 6.84 -0.22 -1.70 0.15 -1.26 -4.49 113.70 111.34 2yu6 s SER 98 Ca 0.43 0.91 -0.12 0.00 0.70 0.00 0.00 55.95 57.86 2yu6 s SER 98 Cb -0.16 -2.50 -0.05 0.00 -1.71 0.00 0.00 66.02 61.60 2yu6 s SER 98 CO 0.21 -0.80 0.22 -0.22 1.20 0.00 0.00 173.24 173.85 2yu6 s LEU 99 N 3.42 4.16 0.14 3.45 2.96 -1.24 -4.91 118.68 126.66 2yu6 s LEU 99 Ca 0.41 0.26 -0.31 0.00 -0.22 0.00 0.00 54.13 54.28 2yu6 s LEU 99 Cb -0.13 -2.22 -0.08 0.00 0.50 0.00 0.00 46.19 44.26 2yu6 s LEU 99 CO 0.14 0.06 1.34 -2.16 -1.32 0.00 0.00 176.35 174.42 2yu6 s PRO 100 N 0.92 4.36 0.29 0.98 0.04 -1.26 -2.44 135.00 137.89 2yu6 s PRO 100 Ca 0.11 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.21 2yu6 s PRO 100 Cb -0.13 -3.24 0.70 0.00 0.04 0.00 0.00 34.50 31.87 2yu6 s PRO 100 CO 0.04 -0.35 1.65 0.74 0.04 0.00 0.00 177.00 179.11 2yu6 h PHE 101 N 6.29 0.34 -1.17 0.56 0.04 -1.97 0.18 116.94 121.21 2yu6 h PHE 101 Ca -0.43 0.05 0.41 0.00 2.80 0.00 0.00 57.97 60.80 2yu6 h PHE 101 Cb 1.21 -0.01 -0.13 0.00 2.20 0.00 0.00 35.95 39.22 2yu6 h PHE 101 CO 0.65 -0.21 0.73 0.94 -0.60 0.00 0.00 178.31 179.82 2yu6 n GLN 102 N -5.23 -0.04 -0.03 1.51 7.27 -1.26 0.16 117.38 119.76 2yu6 n GLN 102 Ca 0.21 1.12 -0.12 0.00 0.07 0.00 0.00 57.00 58.29 2yu6 n GLN 102 Cb 0.68 -2.18 -0.07 0.00 2.41 0.00 0.00 30.24 31.08 2yu6 n GLN 102 CO 0.00 0.00 0.00 0.74 0.07 0.00 0.00 177.06 177.87 2yu6 h PHE 103 N 0.00 0.22 -0.44 3.69 -1.00 -1.02 -2.91 116.94 115.48 2yu6 h PHE 103 Ca 0.77 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.52 2yu6 h PHE 103 Cb 2.42 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 41.93 2yu6 h PHE 103 CO -0.01 0.43 0.00 0.00 -1.61 0.00 0.00 178.31 177.13 2yu6 n ALA 104 N -2.29 3.30 0.21 2.45 0.00 0.43 -4.24 120.51 120.38 2yu6 n ALA 104 Ca -0.06 -1.30 0.07 0.00 0.00 0.00 0.00 53.44 52.16 2yu6 n ALA 104 Cb 0.20 -1.07 0.46 0.00 0.00 0.00 0.00 19.45 19.03 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 2.92 0.00 0.02 0.00 6.17 0.10 -2.84 115.15 121.52 2yu6 h HIS 105 Ca 0.00 0.00 -0.24 0.00 0.71 0.00 0.00 60.37 60.84 2yu6 h HIS 105 Cb 1.41 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 31.31 2yu6 h HIS 105 CO 0.71 0.30 -1.24 1.12 0.71 0.00 0.00 177.93 179.52 2yu6 h HIS 106 N 0.00 0.07 -3.91 5.26 2.07 -1.78 -3.46 115.15 113.39 2yu6 h HIS 106 Ca -0.00 -0.05 -0.51 0.00 -2.85 0.00 0.00 60.37 56.96 2yu6 h HIS 106 Cb 0.67 -0.00 0.04 0.00 2.57 0.00 0.00 27.41 30.69 2yu6 h HIS 106 CO 0.00 1.05 0.50 -0.51 -3.07 0.00 0.00 177.93 175.90 2yu6 s LEU 107 N -6.60 4.28 0.29 6.12 1.43 -1.07 -5.04 118.68 118.09 2yu6 s LEU 107 Ca -0.02 2.33 0.05 0.00 -1.03 0.00 0.00 54.13 55.46 2yu6 s LEU 107 Cb 0.09 -3.93 -0.03 0.00 0.03 0.00 0.00 46.19 42.35 2yu6 s LEU 107 CO 0.83 -0.54 0.24 -0.76 0.23 0.00 0.00 176.35 176.34 2yu6 s LEU 108 N -2.25 1.59 -0.34 1.79 1.43 -1.26 -3.11 118.68 116.52 2yu6 s LEU 108 Ca 0.54 -1.66 0.02 0.00 -1.03 0.00 0.00 54.13 52.00 2yu6 s LEU 108 Cb -0.31 0.51 0.10 0.00 0.03 0.00 0.00 46.19 46.52 2yu6 s LEU 108 CO 0.39 -1.00 0.09 0.21 0.23 0.00 0.00 176.35 176.27 2yu6 s ASN 109 N -3.32 4.37 0.00 2.29 2.47 0.01 -4.56 114.94 116.21 2yu6 s ASN 109 Ca 0.40 -2.02 0.09 0.00 0.42 0.00 0.00 52.86 51.76 2yu6 s ASN 109 Cb 0.04 -1.27 0.56 0.00 -1.45 0.00 0.00 41.25 39.12 2yu6 s ASN 109 CO 0.23 -0.38 1.00 -0.81 -3.72 0.00 0.00 177.10 173.42 2yu6 n PRO 110 N 4.40 0.48 0.10 0.43 -0.04 -1.26 -2.21 135.00 136.90 2yu6 n PRO 110 Ca 0.02 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.54 2yu6 n PRO 110 Cb 0.41 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 2yu6 n PRO 110 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2yu6 h TRP 111 N 0.00 0.00 -2.57 0.54 4.06 -1.94 -3.39 115.95 112.65 2yu6 h TRP 111 Ca 0.00 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.35 2yu6 h TRP 111 Cb 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 29.16 27.77 2yu6 h TRP 111 CO 0.00 0.26 -0.87 0.54 -3.56 0.00 0.00 178.44 174.81 2yu6 s ASN 112 N -5.77 2.38 -1.46 -3.49 4.22 -0.99 -4.89 114.94 104.94 2yu6 s ASN 112 Ca 0.00 -3.16 -0.09 0.00 -2.14 0.00 0.00 52.86 47.47 2yu6 s ASN 112 Cb 0.08 -0.73 0.06 0.00 1.28 0.00 0.00 41.25 41.94 2yu6 s ASN 112 CO 0.77 -0.17 0.90 0.47 -2.04 0.00 0.00 177.10 177.04 2yu6 n ASP 113 N 2.76 -3.71 -3.67 3.54 8.00 -1.26 -2.08 116.55 120.13 2yu6 n ASP 113 Ca 0.25 -0.79 -0.21 0.00 0.71 0.00 0.00 54.79 54.76 2yu6 n ASP 113 Cb 0.44 -3.95 -0.06 0.00 -0.02 0.00 0.00 41.12 37.52 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 -2.91 0.52 -4.83 -2.24 4.13 -0.95 -4.86 115.26 104.13 2yu6 n ASN 114 Ca -0.07 -0.83 -0.38 0.00 1.68 0.00 0.00 54.58 54.98 2yu6 n ASN 114 Cb 0.57 -1.03 -0.06 0.00 -1.54 0.00 0.00 39.78 37.72 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 -5.80 4.01 0.24 3.52 -0.14 -0.88 -4.56 119.74 116.13 2yu6 s LYS 115 Ca 0.03 0.53 -0.22 0.00 -1.36 0.00 0.00 55.97 54.94 2yu6 s LYS 115 Cb -0.02 -3.22 -0.14 0.00 -1.68 0.00 0.00 37.83 32.76 2yu6 s LYS 115 CO 0.65 0.67 0.31 1.17 -0.76 0.00 0.00 175.35 177.39 2yu6 n LYS 116 N 1.77 0.00 -0.04 1.68 4.81 -1.26 -0.81 118.16 124.32 2yu6 n LYS 116 Ca -0.13 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.27 2yu6 n LYS 116 Cb 0.52 -0.87 -0.03 0.00 0.02 0.00 0.00 35.03 34.66 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 0.64 0.00 -0.92 3.15 2.07 -1.78 0.35 116.25 119.77 2yu6 h VAL 117 Ca -0.27 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.62 2yu6 h VAL 117 Cb 1.26 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.88 2yu6 h VAL 117 CO 0.46 0.00 0.51 0.00 0.02 0.00 0.00 177.57 178.57 2yu6 n GLN 118 N -3.57 -0.05 -1.19 1.57 10.64 -1.26 -2.92 117.38 120.60 2yu6 n GLN 118 Ca -0.01 1.17 -0.41 0.00 -1.83 0.00 0.00 57.00 55.92 2yu6 n GLN 118 Cb 0.11 -2.14 -0.07 0.00 -0.86 0.00 0.00 30.24 27.29 2yu6 n GLN 118 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 2yu6 n ILE 119 N -4.86 1.49 -3.76 -0.39 5.41 0.11 -4.80 119.36 112.56 2yu6 n ILE 119 Ca 0.33 -1.35 -0.13 0.00 1.00 0.00 0.00 62.75 62.60 2yu6 n ILE 119 Cb 1.15 -2.24 -0.14 0.00 -0.71 0.00 0.00 39.64 37.70 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 5.65 -0.13 0.93 4.38 0.01 -1.15 -4.77 113.70 118.62 2yu6 s SER 120 Ca 0.62 0.32 -0.12 0.00 1.31 0.00 0.00 55.95 58.07 2yu6 s SER 120 Cb 0.12 0.22 0.15 0.00 0.21 0.00 0.00 66.02 66.71 2yu6 s SER 120 CO 0.16 -0.14 1.11 -0.13 0.41 0.00 0.00 173.24 174.66 2yu6 s ARG 121 N 1.04 1.02 0.19 12.44 0.52 -1.26 -4.92 118.95 127.99 2yu6 s ARG 121 Ca -0.08 0.45 -0.31 0.00 -0.52 0.00 0.00 55.73 55.27 2yu6 s ARG 121 Cb -0.10 -1.81 -0.11 0.00 0.52 0.00 0.00 34.95 33.45 2yu6 s ARG 121 CO -0.05 -2.31 1.60 0.16 0.02 0.00 0.00 175.30 174.71 2yu6 s ASP 122 N -3.77 6.52 -0.64 0.23 1.47 -1.26 -2.59 116.67 116.62 2yu6 s ASP 122 Ca 0.64 2.72 -0.04 0.00 1.18 0.00 0.00 52.55 57.05 2yu6 s ASP 122 Cb -0.16 -2.60 0.00 0.00 -0.34 0.00 0.00 42.92 39.82 2yu6 s ASP 122 CO 0.55 -0.86 0.50 0.61 0.68 0.00 0.00 175.17 176.65 2yu6 n GLY 123 N 3.59 0.24 3.65 2.12 0.00 -0.39 -4.98 105.19 109.41 2yu6 n GLY 123 Ca 0.13 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 -5.51 3.80 0.16 1.61 -1.52 -1.07 -4.91 119.66 112.21 2yu6 s GLN 124 Ca 0.25 -0.35 -0.31 0.00 -1.95 0.00 0.00 55.36 53.00 2yu6 s GLN 124 Cb -0.11 -3.14 -0.09 0.00 -0.22 0.00 0.00 33.01 29.46 2yu6 s GLN 124 CO 0.31 0.36 1.44 -2.00 -0.25 0.00 0.00 175.29 175.14 2yu6 s GLU 125 N 0.11 4.29 -0.17 2.91 2.12 -1.26 -2.23 118.70 124.47 2yu6 s GLU 125 Ca 0.04 2.18 -0.01 0.00 0.36 0.00 0.00 54.97 57.54 2yu6 s GLU 125 Cb -0.12 -3.20 -0.01 0.00 0.26 0.00 0.00 34.13 31.06 2yu6 s GLU 125 CO 0.01 -0.46 -0.11 -1.17 -0.54 0.00 0.00 175.26 172.99 2yu6 s LEU 126 N 0.79 2.67 0.20 2.70 2.96 0.23 -4.95 118.68 123.29 2yu6 s LEU 126 Ca 0.64 -0.41 -0.31 0.00 -0.22 0.00 0.00 54.13 53.84 2yu6 s LEU 126 Cb -0.39 -1.63 -0.16 0.00 0.50 0.00 0.00 46.19 44.51 2yu6 s LEU 126 CO 0.33 0.07 0.99 1.21 -1.32 0.00 0.00 176.35 177.63 2yu6 n GLU 127 N 4.18 0.94 0.00 1.98 2.13 -1.26 -3.79 120.64 124.82 2yu6 n GLU 127 Ca -0.19 0.33 0.07 0.00 0.66 0.00 0.00 57.16 58.04 2yu6 n GLU 127 Cb 0.52 -1.70 0.32 0.00 0.27 0.00 0.00 31.44 30.84 2yu6 n GLU 127 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2yu6 n PRO 128 N 1.29 0.05 0.06 5.31 -0.04 -1.26 -0.53 135.00 139.88 2yu6 n PRO 128 Ca 0.14 0.23 -0.22 0.00 -0.04 0.00 0.00 63.50 63.62 2yu6 n PRO 128 Cb 0.26 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.07 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 0.36 0.00 0.54 4.15 -1.98 -3.26 115.11 114.92 2yu6 h GLN 129 Ca 0.00 -0.61 -0.12 0.00 0.77 0.00 0.00 58.65 58.69 2yu6 h GLN 129 Cb 0.22 0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 2yu6 h GLN 129 CO 0.00 1.27 -1.64 1.33 -1.93 0.00 0.00 178.83 177.86 2yu6 n VAL 130 N -3.55 0.79 0.25 2.39 0.24 -1.10 -3.89 118.33 113.45 2yu6 n VAL 130 Ca -0.24 -0.64 0.14 0.00 -2.04 0.00 0.00 64.34 61.56 2yu6 n VAL 130 Cb 1.07 -0.42 0.39 0.00 -1.47 0.00 0.00 33.84 33.41 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 3.89 0.00 0.43 7.63 0.00 -0.98 -2.67 103.07 111.38 2yu6 h GLY 131 Ca -0.15 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.96 2yu6 h GLY 131 CO 0.02 0.00 -1.10 1.05 0.00 0.00 0.00 176.54 176.52 2yu6 h GLU 132 N 0.00 0.19 0.00 4.80 4.11 -1.71 -3.29 114.58 118.69 2yu6 h GLU 132 Ca 0.00 -0.32 0.00 0.00 0.07 0.00 0.00 59.36 59.11 2yu6 h GLU 132 Cb 0.79 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2yu6 h GLU 132 CO 0.00 1.16 0.00 0.00 0.07 0.00 0.00 179.01 180.24 2yu6 n GLN 133 N -4.12 0.03 0.03 1.06 10.64 -1.24 -2.67 117.38 121.12 2yu6 n GLN 133 Ca -0.22 0.15 -0.08 0.00 -1.83 0.00 0.00 57.00 55.02 2yu6 n GLN 133 Cb 0.80 -1.50 -0.13 0.00 -0.86 0.00 0.00 30.24 28.55 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 0.04 0.06 2.61 5.85 -1.57 -3.36 115.31 118.94 2yu6 h LEU 134 Ca 0.00 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2yu6 h LEU 134 Cb 0.32 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2yu6 h LEU 134 CO 0.00 1.04 -0.03 -0.07 -0.34 0.00 0.00 178.44 179.04 2yu6 h LEU 135 N 0.01 -0.07 -1.19 2.25 3.38 -1.57 -3.21 115.31 114.91 2yu6 h LEU 135 Ca -0.14 -0.57 0.23 0.00 0.09 0.00 0.00 57.88 57.49 2yu6 h LEU 135 Cb 1.89 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.62 2yu6 h LEU 135 CO 0.11 0.63 1.02 0.06 0.09 0.00 0.00 178.44 180.35 2yu6 h GLN 136 N -0.86 0.00 -0.82 1.13 3.07 -1.71 0.39 115.11 116.31 2yu6 h GLN 136 Ca -0.01 0.00 0.12 0.00 0.09 0.00 0.00 58.65 58.85 2yu6 h GLN 136 Cb 0.64 0.00 -0.08 0.00 0.08 0.00 0.00 27.48 28.11 2yu6 h GLN 136 CO 0.01 0.00 0.44 -0.07 0.09 0.00 0.00 178.83 179.30 2yu6 h LEU 137 N 0.00 0.57 -2.25 0.06 3.38 -1.70 0.29 115.31 115.67 2yu6 h LEU 137 Ca 0.37 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.42 2yu6 h LEU 137 Cb 2.40 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 43.12 2yu6 h LEU 137 CO -0.00 0.29 0.11 -0.50 0.09 0.00 0.00 178.44 178.42 2yu6 h TRP 138 N 0.68 0.00 0.00 1.13 6.55 -0.42 0.33 115.95 124.22 2yu6 h TRP 138 Ca 0.42 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.26 2yu6 h TRP 138 Cb 0.51 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.81 2yu6 h TRP 138 CO -0.08 0.00 -0.21 0.93 -1.05 0.00 0.00 178.44 178.03 2yu6 h GLU 139 N 0.00 0.00 0.00 0.49 5.08 -0.56 -3.18 114.58 116.41 2yu6 h GLU 139 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2yu6 h GLU 139 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2yu6 h GLU 139 CO 0.00 0.00 -0.35 0.54 -1.00 0.00 0.00 179.01 178.20 2yu6 n ARG 140 N -2.69 0.26 0.00 2.33 1.74 0.11 -5.16 116.66 113.25 2yu6 n ARG 140 Ca 0.04 0.13 0.09 0.00 -0.77 0.00 0.00 57.85 57.34 2yu6 n ARG 140 Cb 0.49 -1.72 0.53 0.00 -1.02 0.00 0.00 32.46 30.75 2yu6 n ARG 140 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39