#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qny s THR -9 N 0.00 5.12 0.15 3.17 2.01 -1.26 -5.05 115.64 119.77 2qny s THR -9 Ca 0.00 1.20 -0.28 0.00 0.31 0.00 0.00 61.69 62.92 2qny s THR -9 Cb 0.00 -3.93 -0.07 0.00 0.01 0.00 0.00 72.50 68.51 2qny s THR -9 CO 0.00 0.29 0.89 -0.70 -0.69 0.00 0.00 174.62 174.41 2qny s GLU -8 N 0.73 4.69 -0.26 4.92 2.12 -1.26 -5.05 118.70 124.60 2qny s GLU -8 Ca 0.32 1.35 -0.13 0.00 0.36 0.00 0.00 54.97 56.88 2qny s GLU -8 Cb -0.16 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 2qny s GLU -8 CO 0.14 0.38 0.26 0.42 -0.54 0.00 0.00 175.26 175.92 2qny s ILE -7 N -0.55 5.27 0.21 -3.70 1.01 -1.26 -5.05 121.20 117.12 2qny s ILE -7 Ca 0.42 0.35 -0.32 0.00 0.00 0.00 0.00 60.65 61.11 2qny s ILE -7 Cb -0.24 -3.60 -0.14 0.00 0.01 0.00 0.00 42.46 38.49 2qny s ILE -7 CO 0.29 0.25 1.28 0.00 0.00 0.00 0.00 174.94 176.76 2qny n ALA -6 N 4.86 0.20 -2.59 9.38 0.00 -1.26 -4.97 120.51 126.13 2qny n ALA -6 Ca -0.12 0.43 -0.38 0.00 0.00 0.00 0.00 53.44 53.37 2qny n ALA -6 Cb 0.52 -2.15 -0.11 0.00 0.00 0.00 0.00 19.45 17.71 2qny n ALA -6 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qny s THR -5 N -0.15 5.28 0.31 0.00 2.01 -1.26 -5.09 115.64 116.74 2qny s THR -5 Ca 0.70 0.26 0.06 0.00 0.31 0.00 0.00 61.69 63.03 2qny s THR -5 Cb -0.74 -3.57 -0.06 0.00 0.01 0.00 0.00 72.50 68.13 2qny s THR -5 CO 0.51 0.23 -0.03 0.42 -0.69 0.00 0.00 174.62 175.06 2qny s THR -4 N 1.83 1.63 0.10 -0.82 -4.23 -1.26 -5.17 115.64 107.73 2qny s THR -4 Ca 0.09 -2.09 -0.10 0.00 -1.18 0.00 0.00 61.69 58.41 2qny s THR -4 Cb -0.16 -2.62 0.01 0.00 1.34 0.00 0.00 72.50 71.07 2qny s THR -4 CO 0.11 -0.18 0.24 -0.55 -0.54 0.00 0.00 174.62 173.69 2qny s SER -3 N -3.50 0.04 0.00 3.99 0.15 -1.25 -4.87 113.70 108.26 2qny s SER -3 Ca 0.32 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.37 2qny s SER -3 Cb 0.06 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 2qny s SER -3 CO 0.14 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.42 2qny n GLY -2 N -0.11 6.44 3.70 9.45 0.00 0.31 -4.43 105.19 120.56 2qny n GLY -2 Ca -0.15 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 2qny n GLY -2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qny s ALA -1 N -2.03 3.39 0.08 4.61 0.00 -1.23 -4.85 121.76 121.73 2qny s ALA -1 Ca 0.00 0.72 -0.18 0.00 0.00 0.00 0.00 51.96 52.50 2qny s ALA -1 Cb 0.00 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 2qny s ALA -1 CO 0.00 -0.52 1.48 0.00 0.00 0.00 0.00 175.76 176.72 2qny h ARG 1 N 7.03 0.46 -5.88 0.00 2.47 -1.90 -3.34 114.38 113.21 2qny h ARG 1 Ca -0.39 -0.17 -0.61 0.00 -1.26 0.00 0.00 59.98 57.56 2qny h ARG 1 Cb 1.20 -0.03 -0.11 0.00 -1.65 0.00 0.00 29.97 29.38 2qny h ARG 1 CO 0.83 0.67 0.44 -1.12 0.56 0.00 0.00 179.97 181.35 2qny s SER 2 N -6.03 6.57 0.07 7.04 0.01 -1.26 -4.93 113.70 115.17 2qny s SER 2 Ca -0.14 0.36 0.06 0.00 1.31 0.00 0.00 55.95 57.55 2qny s SER 2 Cb 0.07 -2.42 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 2qny s SER 2 CO 0.76 -0.80 -0.17 0.54 0.41 0.00 0.00 173.24 173.98 2qny s VAL 3 N 3.25 1.39 0.36 3.43 0.11 -1.26 -2.34 120.40 125.34 2qny s VAL 3 Ca 0.33 -1.31 -0.10 0.00 -2.93 0.00 0.00 61.98 57.97 2qny s VAL 3 Cb -0.13 -1.28 0.03 0.00 -1.53 0.00 0.00 36.38 33.48 2qny s VAL 3 CO 0.18 -0.07 0.65 -0.83 -3.33 0.00 0.00 175.10 171.70 2qny s GLY 4 N -1.61 0.87 -0.37 6.54 0.00 0.16 -0.69 107.32 112.23 2qny s GLY 4 Ca 0.03 -1.09 -0.21 0.00 0.00 0.00 0.00 44.72 43.45 2qny s GLY 4 CO 0.03 -0.62 0.68 1.08 0.00 0.00 0.00 173.10 174.26 2qny s LEU 5 N -3.14 4.24 0.18 0.66 1.43 -1.26 -1.98 118.68 118.81 2qny s LEU 5 Ca 0.22 0.16 0.11 0.00 -1.03 0.00 0.00 54.13 53.60 2qny s LEU 5 Cb -0.03 -2.85 -0.08 0.00 0.03 0.00 0.00 46.19 43.26 2qny s LEU 5 CO 0.15 -0.65 1.31 -0.07 0.23 0.00 0.00 176.35 177.32 2qny h LEU 6 N 9.51 0.00 -7.49 1.79 3.38 -1.13 -3.39 115.31 117.97 2qny h LEU 6 Ca -0.26 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.84 2qny h LEU 6 Cb 1.10 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.76 2qny h LEU 6 CO 0.86 0.76 0.43 -0.94 0.09 0.00 0.00 178.44 179.64 2qny s SER 7 N -6.53 -0.26 0.02 -0.43 1.04 -1.24 -3.09 113.70 103.21 2qny s SER 7 Ca 0.02 -0.30 0.03 0.00 0.48 0.00 0.00 55.95 56.18 2qny s SER 7 Cb 0.09 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.70 2qny s SER 7 CO 0.79 -0.90 -0.09 0.54 0.98 0.00 0.00 173.24 174.56 2qny s VAL 8 N -3.37 0.67 -0.01 5.02 0.11 -1.26 -2.44 120.40 119.13 2qny s VAL 8 Ca 0.09 -0.72 0.01 0.00 -2.93 0.00 0.00 61.98 58.44 2qny s VAL 8 Cb -0.02 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.20 2qny s VAL 8 CO -0.01 -0.06 -0.03 -0.83 -3.33 0.00 0.00 175.10 170.84 2qny s GLY 9 N -0.86 0.20 -0.03 6.54 0.00 -0.24 -4.61 107.32 108.31 2qny s GLY 9 Ca -0.02 -0.12 0.05 0.00 0.00 0.00 0.00 44.72 44.64 2qny s GLY 9 CO 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 173.10 172.88 2qny s ALA 10 N 0.07 1.60 -0.14 3.20 0.00 -1.26 -0.84 121.76 124.39 2qny s ALA 10 Ca -0.00 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.18 2qny s ALA 10 Cb -0.03 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.64 2qny s ALA 10 CO -0.00 0.35 -0.20 -0.47 0.00 0.00 0.00 175.76 175.44 2qny s TYR 11 N -0.27 2.69 -0.04 0.00 5.04 0.86 -4.84 117.35 120.79 2qny s TYR 11 Ca 0.03 -1.22 0.05 0.00 -2.44 0.00 0.00 57.07 53.49 2qny s TYR 11 Cb -0.09 -1.82 -0.01 0.00 0.35 0.00 0.00 41.96 40.39 2qny s TYR 11 CO 0.00 -0.55 -0.19 1.03 -1.34 0.00 0.00 175.55 174.50 2qny s ARG 12 N 0.76 1.88 0.86 4.97 0.52 -1.26 -0.81 118.95 125.86 2qny s ARG 12 Ca -0.08 -0.68 -0.11 0.00 -0.52 0.00 0.00 55.73 54.34 2qny s ARG 12 Cb -0.16 -1.66 0.11 0.00 0.52 0.00 0.00 34.95 33.76 2qny s ARG 12 CO -0.00 0.31 1.10 -2.14 0.02 0.00 0.00 175.30 174.59 2qny s PRO 13 N -0.11 1.54 0.25 3.54 0.02 -1.26 -4.96 135.00 134.02 2qny s PRO 13 Ca -0.01 1.16 0.03 0.00 0.02 0.00 0.00 61.00 62.20 2qny s PRO 13 Cb -0.11 -1.82 0.32 0.00 0.02 0.00 0.00 34.50 32.91 2qny s PRO 13 CO 0.02 -2.14 1.62 1.05 -0.33 0.00 0.00 177.00 177.22 2qny h GLU 14 N -1.49 0.35 -6.60 5.54 -0.00 -1.98 -3.44 114.58 106.95 2qny h GLU 14 Ca -0.46 -0.19 -0.55 0.00 -0.00 0.00 0.00 59.36 58.16 2qny h GLU 14 Cb 1.26 0.01 -0.07 0.00 -0.00 0.00 0.00 28.75 29.95 2qny h GLU 14 CO 0.50 0.75 0.98 0.50 -0.00 0.00 0.00 179.01 181.73 2qny s ARG 15 N -4.06 3.55 -0.20 1.06 3.52 -1.25 -4.99 118.95 116.59 2qny s ARG 15 Ca -0.05 0.38 -0.22 0.00 -0.13 0.00 0.00 55.73 55.70 2qny s ARG 15 Cb 0.13 -4.00 -0.02 0.00 -1.56 0.00 0.00 34.95 29.50 2qny s ARG 15 CO 0.80 -1.63 0.70 0.08 -0.81 0.00 0.00 175.30 174.44 2qny s VAL 16 N 4.95 4.96 -0.31 7.11 1.01 -1.26 -1.36 120.40 135.51 2qny s VAL 16 Ca 0.46 1.34 -0.05 0.00 0.00 0.00 0.00 61.98 63.73 2qny s VAL 16 Cb -0.08 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 32.33 2qny s VAL 16 CO 0.27 0.07 0.06 -0.69 0.00 0.00 0.00 175.10 174.81 2qny s VAL 17 N 2.09 3.54 0.65 2.92 1.01 0.11 -4.97 120.40 125.75 2qny s VAL 17 Ca 0.32 -1.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 2qny s VAL 17 Cb -0.16 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 2qny s VAL 17 CO 0.11 -0.08 1.04 0.42 0.00 0.00 0.00 175.10 176.59 2qny s THR 18 N 1.37 4.39 0.25 3.92 -4.23 -1.26 -1.75 115.64 118.33 2qny s THR 18 Ca -0.02 0.78 -0.04 0.00 -1.18 0.00 0.00 61.69 61.23 2qny s THR 18 Cb -0.19 -3.66 0.22 0.00 1.34 0.00 0.00 72.50 70.21 2qny s THR 18 CO 0.01 -1.02 1.83 0.78 -0.54 0.00 0.00 174.62 175.68 2qny h ASN 19 N -0.50 0.76 -0.38 3.99 2.35 -1.77 -1.63 115.58 118.40 2qny h ASN 19 Ca -0.44 0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.37 2qny h ASN 19 Cb 1.20 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.43 2qny h ASN 19 CO 0.60 0.45 0.21 0.44 -1.65 0.00 0.00 177.43 177.48 2qny h ASP 20 N 0.88 0.33 0.23 5.81 3.45 -1.89 -2.46 116.42 122.77 2qny h ASP 20 Ca 0.40 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.86 2qny h ASP 20 Cb 0.31 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 2qny h ASP 20 CO -0.22 0.24 -0.11 -0.08 -1.57 0.00 0.00 179.24 177.50 2qny h GLU 21 N 0.43 -0.30 -0.02 3.56 4.81 -1.86 -3.20 114.58 118.00 2qny h GLU 21 Ca 0.16 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2qny h GLU 21 Cb 0.03 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 2qny h GLU 21 CO -0.09 -0.00 0.03 0.97 -0.73 0.00 0.00 179.01 179.19 2qny h ILE 22 N -0.59 0.50 0.00 2.32 2.10 -1.29 -3.49 117.51 117.05 2qny h ILE 22 Ca -0.03 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.91 2qny h ILE 22 Cb 0.43 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 37.14 2qny h ILE 22 CO 0.05 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.12 2qny n SER 29 N 0.00 0.00 0.15 0.00 2.88 -1.26 -5.04 113.62 110.36 2qny n SER 29 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 2qny n SER 29 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 2qny n SER 29 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2qny h ASP 30 N 0.00 -0.28 -0.91 -3.46 -0.00 -1.96 -1.63 116.42 108.17 2qny h ASP 30 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 57.03 56.96 2qny h ASP 30 Cb 0.00 0.07 -0.04 0.00 -0.00 0.00 0.00 39.33 39.36 2qny h ASP 30 CO 0.00 -0.11 0.59 -0.33 -0.00 0.00 0.00 179.24 179.39 2qny h GLU 31 N -0.44 1.22 0.19 0.28 5.08 -1.98 0.40 114.58 119.33 2qny h GLU 31 Ca -0.03 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2qny h GLU 31 Cb 0.34 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2qny h GLU 31 CO 0.06 0.82 -0.16 2.35 -1.00 0.00 0.00 179.01 181.08 2qny h TRP 32 N 1.24 -0.43 -0.19 4.33 7.01 -1.97 0.15 115.95 126.10 2qny h TRP 32 Ca 0.33 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.31 2qny h TRP 32 Cb -0.11 0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 2qny h TRP 32 CO -0.00 -0.25 0.03 0.82 -2.79 0.00 0.00 178.44 176.24 2qny h ILE 33 N -0.37 1.22 0.02 2.65 2.04 -1.21 -3.07 117.51 118.79 2qny h ILE 33 Ca -0.00 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.13 2qny h ILE 33 Cb 0.34 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2qny h ILE 33 CO -0.03 0.22 -0.06 0.22 0.00 0.00 0.00 178.15 178.51 2qny h TYR 34 N 0.10 -0.14 -0.87 1.37 5.03 -0.77 -0.17 116.97 121.51 2qny h TYR 34 Ca 0.06 0.00 0.17 0.00 2.58 0.00 0.00 58.73 61.54 2qny h TYR 34 Cb 0.31 0.06 -0.10 0.00 1.55 0.00 0.00 36.73 38.55 2qny h TYR 34 CO 0.02 -0.09 0.44 1.15 -1.32 0.00 0.00 178.16 178.36 2qny h THR 35 N -0.11 0.67 0.00 1.81 2.02 -0.76 0.11 112.91 116.64 2qny h THR 35 Ca 0.02 -0.20 -0.13 0.00 0.77 0.00 0.00 66.41 66.87 2qny h THR 35 Cb 0.13 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 2qny h THR 35 CO -0.05 0.11 -0.85 0.03 0.37 0.00 0.00 175.52 175.13 2qny h ARG 36 N 0.58 0.00 0.00 6.66 3.08 -1.35 -3.42 114.38 119.93 2qny h ARG 36 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.54 2qny h ARG 36 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 2qny h ARG 36 CO -0.40 0.45 -0.38 0.25 -1.07 0.00 0.00 179.97 178.82 2qny n THR 37 N -3.11 0.00 -0.98 2.04 -2.24 -0.12 -4.73 114.28 105.15 2qny n THR 37 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2qny n THR 37 Cb 0.78 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 2qny n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qny n GLY 38 N 1.07 0.78 3.72 3.38 0.00 0.35 -1.46 105.19 113.03 2qny n GLY 38 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2qny n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qny s ILE 39 N -3.09 5.03 -0.21 -0.61 1.01 -1.26 -3.75 121.20 118.32 2qny s ILE 39 Ca 0.00 1.38 -0.09 0.00 0.00 0.00 0.00 60.65 61.94 2qny s ILE 39 Cb 0.00 -4.01 -0.09 0.00 0.01 0.00 0.00 42.46 38.37 2qny s ILE 39 CO 0.00 0.29 -0.26 0.29 0.00 0.00 0.00 174.94 175.26 2qny n LYS 40 N 3.58 0.44 -4.16 2.79 5.02 0.84 -3.71 118.16 122.96 2qny n LYS 40 Ca -0.03 0.19 -0.10 0.00 -2.02 0.00 0.00 58.31 56.35 2qny n LYS 40 Cb 0.51 -1.25 -0.10 0.00 -0.02 0.00 0.00 35.03 34.17 2qny n LYS 40 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2qny s THR 41 N -2.38 0.09 0.14 -0.18 -4.23 -0.75 -2.01 115.64 106.32 2qny s THR 41 Ca -0.29 -1.93 -0.08 0.00 -1.18 0.00 0.00 61.69 58.22 2qny s THR 41 Cb 0.11 -2.14 -0.01 0.00 1.34 0.00 0.00 72.50 71.79 2qny s THR 41 CO 0.37 -0.37 0.23 0.00 -0.54 0.00 0.00 174.62 174.32 2qny s ARG 42 N -4.07 1.06 -0.14 3.99 3.03 -0.72 -3.34 118.95 118.76 2qny s ARG 42 Ca 0.27 -1.18 -0.04 0.00 2.03 0.00 0.00 55.73 56.82 2qny s ARG 42 Cb 0.07 0.35 -0.03 0.00 -1.03 0.00 0.00 34.95 34.31 2qny s ARG 42 CO 0.04 -0.37 -0.02 1.03 -1.13 0.00 0.00 175.30 174.86 2qny s ARG 43 N -3.96 3.52 -0.09 3.89 1.81 -1.26 0.03 118.95 122.89 2qny s ARG 43 Ca 0.16 -0.47 0.00 0.00 -1.72 0.00 0.00 55.73 53.70 2qny s ARG 43 Cb 0.04 -2.91 -0.03 0.00 -0.45 0.00 0.00 34.95 31.61 2qny s ARG 43 CO -0.02 0.37 -0.09 -0.06 -0.68 0.00 0.00 175.30 174.82 2qny s PHE 44 N 0.03 2.89 0.54 -0.53 0.40 -0.46 -1.36 117.98 119.48 2qny s PHE 44 Ca 0.01 -0.20 -0.18 0.00 -0.60 0.00 0.00 56.93 55.97 2qny s PHE 44 Cb -0.13 -1.77 -0.06 0.00 0.51 0.00 0.00 43.02 41.57 2qny s PHE 44 CO 0.02 0.13 1.04 0.00 0.70 0.00 0.00 175.22 177.11 2qny s ALA 45 N -0.35 2.84 0.77 5.36 0.00 -1.26 -3.81 121.76 125.31 2qny s ALA 45 Ca 0.04 0.46 -0.11 0.00 0.00 0.00 0.00 51.96 52.36 2qny s ALA 45 Cb -0.12 -3.23 0.06 0.00 0.00 0.00 0.00 23.12 19.83 2qny s ALA 45 CO 0.02 -0.51 1.09 0.00 0.00 0.00 0.00 175.76 176.36 2qny s ALA 46 N -2.27 2.26 0.36 0.00 0.00 -1.26 -4.94 121.76 115.91 2qny s ALA 46 Ca 0.65 0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.86 2qny s ALA 46 Cb -0.15 -3.25 0.74 0.00 0.00 0.00 0.00 23.12 20.47 2qny s ALA 46 CO 0.29 -1.74 1.95 -0.44 0.00 0.00 0.00 175.76 175.82 2qny h ASP 47 N -1.10 0.67 -0.04 0.00 3.32 -2.05 -0.92 116.42 116.30 2qny h ASP 47 Ca -0.44 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2qny h ASP 47 Cb 1.23 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.65 2qny h ASP 47 CO 0.53 0.42 0.00 -0.90 -1.72 0.00 0.00 179.24 177.57 2qny n ASP 48 N -4.49 0.66 -4.92 6.45 5.75 -1.26 -4.83 116.55 113.91 2qny n ASP 48 Ca 0.12 -1.39 -0.26 0.00 -0.01 0.00 0.00 54.79 53.25 2qny n ASP 48 Cb 0.26 -0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.30 2qny n ASP 48 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2qny s GLU 49 N -1.95 3.54 0.26 0.11 2.02 -0.35 -5.05 118.70 117.28 2qny s GLU 49 Ca 0.36 -0.20 0.01 0.00 0.02 0.00 0.00 54.97 55.16 2qny s GLU 49 Cb 0.18 -2.68 -0.03 0.00 0.10 0.00 0.00 34.13 31.70 2qny s GLU 49 CO 0.29 0.21 0.24 -1.54 0.02 0.00 0.00 175.26 174.48 2qny s SER 50 N -3.57 0.75 0.22 -0.19 1.04 -1.26 -4.88 113.70 105.79 2qny s SER 50 Ca 0.41 -1.50 -0.09 0.00 0.48 0.00 0.00 55.95 55.26 2qny s SER 50 Cb -0.10 0.49 0.21 0.00 0.10 0.00 0.00 66.02 66.72 2qny s SER 50 CO 0.33 -0.99 1.86 0.00 0.98 0.00 0.00 173.24 175.42 2qny h ALA 51 N 2.37 0.98 -0.43 5.32 0.00 -1.91 -2.55 119.26 123.03 2qny h ALA 51 Ca -0.31 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2qny h ALA 51 Cb 1.24 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2qny h ALA 51 CO 0.44 0.26 0.15 0.00 0.00 0.00 0.00 179.25 180.11 2qny h ALA 52 N 1.32 0.57 -0.61 0.00 0.00 -1.94 -1.45 119.26 117.14 2qny h ALA 52 Ca 0.30 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2qny h ALA 52 Cb 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2qny h ALA 52 CO -0.11 0.20 0.07 0.66 0.00 0.00 0.00 179.25 180.07 2qny h SER 53 N 0.56 0.99 -0.34 0.00 4.64 -1.93 -1.38 113.55 116.10 2qny h SER 53 Ca 0.14 -0.27 -0.13 0.00 -0.47 0.00 0.00 61.79 61.06 2qny h SER 53 Cb 0.23 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 2qny h SER 53 CO -0.01 1.02 -0.27 0.24 -0.87 0.00 0.00 176.83 176.94 2qny h MET 54 N 0.93 0.84 -0.94 4.77 0.00 -1.45 -2.76 114.93 116.33 2qny h MET 54 Ca 0.18 -0.37 -0.00 0.00 0.00 0.00 0.00 59.70 59.51 2qny h MET 54 Cb 0.46 -0.02 -0.05 0.00 0.00 0.00 0.00 31.60 31.99 2qny h MET 54 CO 0.02 1.01 0.57 0.00 0.00 0.00 0.00 176.91 178.51 2qny h ALA 55 N 0.97 1.19 -0.15 6.32 0.00 -1.00 -0.96 119.26 125.63 2qny h ALA 55 Ca 0.09 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2qny h ALA 55 Cb 0.81 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2qny h ALA 55 CO 0.07 0.64 0.04 1.15 0.00 0.00 0.00 179.25 181.15 2qny h THR 56 N 1.29 0.94 -0.21 0.00 2.02 -1.16 -0.91 112.91 114.88 2qny h THR 56 Ca 0.34 -0.04 -0.10 0.00 0.77 0.00 0.00 66.41 67.38 2qny h THR 56 Cb -0.06 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 2qny h THR 56 CO -0.06 0.02 -0.29 -0.08 0.37 0.00 0.00 175.52 175.47 2qny h GLU 57 N 0.10 0.40 -0.41 6.66 4.57 -1.20 -0.44 114.58 124.26 2qny h GLU 57 Ca 0.07 -0.16 -0.12 0.00 -1.18 0.00 0.00 59.36 57.97 2qny h GLU 57 Cb 0.06 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2qny h GLU 57 CO -0.09 0.66 -0.22 0.00 -1.18 0.00 0.00 179.01 178.19 2qny h ALA 58 N 1.34 0.84 -0.48 2.92 0.00 -1.09 -2.78 119.26 120.01 2qny h ALA 58 Ca 0.05 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 2qny h ALA 58 Cb 0.70 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2qny h ALA 58 CO 0.05 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.94 2qny h ARG 60 N 0.70 0.08 -0.61 0.00 3.08 -1.06 -0.91 114.38 115.67 2qny h ARG 60 Ca 0.14 -0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.10 2qny h ARG 60 Cb 0.51 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 2qny h ARG 60 CO 0.02 0.05 0.07 0.00 -1.07 0.00 0.00 179.97 179.05 2qny h ARG 61 N 0.08 1.00 -0.38 0.04 3.08 -1.44 -1.46 114.38 115.31 2qny h ARG 61 Ca 0.15 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 2qny h ARG 61 Cb 0.20 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2qny h ARG 61 CO -0.25 0.94 0.20 0.00 -1.07 0.00 0.00 179.97 179.78 2qny h ALA 62 N 1.13 0.48 -0.56 0.04 0.00 -1.02 -1.01 119.26 118.33 2qny h ALA 62 Ca 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2qny h ALA 62 Cb 0.45 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2qny h ALA 62 CO 0.02 0.03 0.28 -0.07 0.00 0.00 0.00 179.25 179.50 2qny h LEU 63 N 0.47 0.72 -0.68 0.00 3.38 -0.99 -2.14 115.31 116.07 2qny h LEU 63 Ca 0.13 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qny h LEU 63 Cb 0.08 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2qny h LEU 63 CO -0.02 0.64 0.41 -1.28 0.09 0.00 0.00 178.44 178.28 2qny h SER 64 N 0.75 0.82 0.82 -0.43 0.87 -1.09 0.11 113.55 115.40 2qny h SER 64 Ca 0.19 -0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 2qny h SER 64 Cb 0.10 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 2qny h SER 64 CO -0.03 0.64 -0.17 0.78 -0.53 0.00 0.00 176.83 177.52 2qny h ASN 65 N 0.93 0.00 0.26 6.23 2.35 -1.02 -2.57 115.58 121.76 2qny h ASN 65 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2qny h ASN 65 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2qny h ASN 65 CO -0.05 0.17 -0.31 0.00 -1.65 0.00 0.00 177.43 175.60 2qny n ALA 66 N -2.21 3.18 -2.00 -0.83 0.00 -0.82 -4.86 120.51 112.96 2qny n ALA 66 Ca -0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 53.44 52.93 2qny n ALA 66 Cb 0.37 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 2qny n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qny n GLY 67 N 1.37 0.21 3.53 0.00 0.00 -0.84 -5.03 105.19 104.43 2qny n GLY 67 Ca 0.11 -0.47 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 2qny n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qny s LEU 68 N -2.90 2.74 0.45 0.99 1.43 -0.03 -5.03 118.68 116.33 2qny s LEU 68 Ca 0.00 -1.04 0.05 0.00 -1.03 0.00 0.00 54.13 52.11 2qny s LEU 68 Cb 0.00 -1.16 -0.05 0.00 0.03 0.00 0.00 46.19 45.01 2qny s LEU 68 CO 0.00 -0.08 0.07 -0.44 0.23 0.00 0.00 176.35 176.13 2qny s SER 69 N -3.58 4.12 0.55 2.29 0.01 -1.26 -3.90 113.70 111.91 2qny s SER 69 Ca 0.32 -1.37 0.26 0.00 1.31 0.00 0.00 55.95 56.46 2qny s SER 69 Cb -0.02 -0.12 1.44 0.00 0.21 0.00 0.00 66.02 67.53 2qny s SER 69 CO 0.17 -0.62 2.00 0.00 0.41 0.00 0.00 173.24 175.19 2qny h ALA 70 N 1.52 2.37 0.00 1.44 0.00 -1.95 -0.90 119.26 121.74 2qny h ALA 70 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2qny h ALA 70 Cb 1.27 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2qny h ALA 70 CO 0.75 -0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.39 2qny h ALA 71 N 1.71 1.00 0.00 0.00 0.00 -1.91 -2.73 119.26 117.32 2qny h ALA 71 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2qny h ALA 71 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2qny h ALA 71 CO -0.00 0.00 -0.43 -0.25 0.00 0.00 0.00 179.25 178.56 2qny n ASP 72 N -2.36 0.64 -4.76 0.00 8.00 -0.34 -4.89 116.55 112.83 2qny n ASP 72 Ca 0.02 0.19 -0.38 0.00 0.71 0.00 0.00 54.79 55.33 2qny n ASP 72 Cb 0.27 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.24 2qny n ASP 72 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qny s ILE 73 N -3.12 5.15 -1.01 0.53 -1.09 -1.03 -4.62 121.20 116.01 2qny s ILE 73 Ca 0.08 0.84 0.23 0.00 -2.23 0.00 0.00 60.65 59.58 2qny s ILE 73 Cb 0.14 -3.75 -0.09 0.00 -1.58 0.00 0.00 42.46 37.19 2qny s ILE 73 CO 0.68 0.43 1.21 0.47 -1.23 0.00 0.00 174.94 176.49 2qny n ASP 74 N 3.00 0.71 0.00 3.58 10.43 0.13 -4.96 116.55 129.44 2qny n ASP 74 Ca -0.10 -0.56 0.00 0.00 2.57 0.00 0.00 54.79 56.70 2qny n ASP 74 Cb 0.52 0.55 0.00 0.00 1.84 0.00 0.00 41.12 44.03 2qny n ASP 74 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2qny n GLY 75 N 1.50 1.16 2.91 0.44 0.00 -1.25 -3.53 105.19 106.43 2qny n GLY 75 Ca 0.05 -0.95 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 2qny n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qny s VAL 76 N -2.00 0.41 -0.22 1.61 0.11 -0.72 -1.46 120.40 118.13 2qny s VAL 76 Ca 0.00 -0.13 -0.04 0.00 -2.93 0.00 0.00 61.98 58.87 2qny s VAL 76 Cb 0.00 -0.41 -0.01 0.00 -1.53 0.00 0.00 36.38 34.43 2qny s VAL 76 CO 0.00 0.16 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.27 2qny s ILE 77 N 0.43 3.50 -0.26 7.04 1.01 -0.24 -2.80 121.20 129.88 2qny s ILE 77 Ca -0.05 -0.45 -0.12 0.00 0.00 0.00 0.00 60.65 60.03 2qny s ILE 77 Cb -0.08 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 39.74 2qny s ILE 77 CO -0.00 0.41 0.24 -0.69 0.00 0.00 0.00 174.94 174.90 2qny s VAL 78 N 1.47 5.29 -0.16 2.92 1.01 -0.95 -0.79 120.40 129.20 2qny s VAL 78 Ca 0.06 0.31 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 2qny s VAL 78 Cb -0.14 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 2qny s VAL 78 CO -0.02 0.26 -0.07 0.28 0.00 0.00 0.00 175.10 175.55 2qny s THR 79 N 1.53 3.51 0.15 3.92 -1.32 0.11 -0.82 115.64 122.72 2qny s THR 79 Ca 0.10 -0.49 -0.24 0.00 -1.21 0.00 0.00 61.69 59.85 2qny s THR 79 Cb -0.15 -2.53 0.06 0.00 -1.51 0.00 0.00 72.50 68.37 2qny s THR 79 CO 0.08 0.49 0.78 0.28 -2.21 0.00 0.00 174.62 174.05 2qny s THR 80 N 0.56 0.00 0.00 5.08 -1.32 -1.17 -1.53 115.64 117.27 2qny s THR 80 Ca -0.05 -0.43 0.00 0.00 -1.21 0.00 0.00 61.69 60.00 2qny s THR 80 Cb -0.15 -1.51 0.00 0.00 -1.51 0.00 0.00 72.50 69.33 2qny s THR 80 CO 0.03 0.00 0.53 0.59 -2.21 0.00 0.00 174.62 173.56 2qny n ASN 81 N -0.39 0.75 -1.92 8.08 3.02 -1.26 -4.47 115.26 119.06 2qny n ASN 81 Ca -0.09 -1.28 -0.03 0.00 -0.03 0.00 0.00 54.58 53.15 2qny n ASN 81 Cb 0.62 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.85 2qny n ASN 81 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2qny n THR 82 N -0.14 1.33 -3.05 3.41 -2.24 -1.26 -4.95 114.28 107.38 2qny n THR 82 Ca 0.00 -2.71 -0.43 0.00 -2.27 0.00 0.00 64.05 58.64 2qny n THR 82 Cb 0.28 0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 68.91 2qny n THR 82 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2qny s HIS 83 N -2.61 3.00 -0.30 4.78 5.04 -1.26 -4.39 115.29 119.56 2qny s HIS 83 Ca 0.36 -0.10 -0.00 0.00 -1.54 0.00 0.00 55.06 53.77 2qny s HIS 83 Cb 0.37 -3.56 0.26 0.00 0.04 0.00 0.00 32.58 29.68 2qny s HIS 83 CO -0.06 -1.00 1.84 1.19 -2.34 0.00 0.00 174.74 174.37 2qny n PHE 84 N 6.52 1.58 -4.28 3.88 3.01 -1.26 -4.74 117.46 122.17 2qny n PHE 84 Ca -0.01 -1.74 -0.19 0.00 1.01 0.00 0.00 57.45 56.51 2qny n PHE 84 Cb 0.47 -0.86 -0.15 0.00 -0.01 0.00 0.00 39.48 38.93 2qny n PHE 84 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2qny s LEU 85 N -1.82 1.71 0.38 4.37 1.43 -1.26 -5.02 118.68 118.47 2qny s LEU 85 Ca 0.31 -0.15 0.09 0.00 -1.03 0.00 0.00 54.13 53.35 2qny s LEU 85 Cb 0.25 -0.46 0.77 0.00 0.03 0.00 0.00 46.19 46.77 2qny s LEU 85 CO 0.01 0.03 1.92 1.56 0.23 0.00 0.00 176.35 180.11 2qny h GLN 86 N 6.52 0.29 -1.94 1.70 1.08 -2.04 -3.46 115.11 117.27 2qny h GLN 86 Ca -0.34 -0.06 0.05 0.00 -1.45 0.00 0.00 58.65 56.85 2qny h GLN 86 Cb 1.17 -0.04 -0.19 0.00 -0.05 0.00 0.00 27.48 28.36 2qny h GLN 86 CO 0.49 0.40 0.44 -0.08 -0.95 0.00 0.00 178.83 179.12 2qny s THR 87 N -4.80 0.00 0.83 -0.54 -1.32 -1.26 -4.74 115.64 103.80 2qny s THR 87 Ca -0.06 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.32 2qny s THR 87 Cb 0.16 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.24 2qny s THR 87 CO 0.74 0.00 1.11 -2.16 -2.21 0.00 0.00 174.62 172.10 2qny s PRO 88 N -1.85 1.75 0.76 7.08 0.04 -1.26 -5.14 135.00 136.39 2qny s PRO 88 Ca -0.02 1.28 -0.11 0.00 0.04 0.00 0.00 61.00 62.19 2qny s PRO 88 Cb -0.01 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 32.75 2qny s PRO 88 CO -0.00 -2.03 1.08 -1.25 0.04 0.00 0.00 177.00 174.83 2qny s PRO 89 N -4.82 2.37 0.17 0.56 0.04 -1.26 -4.87 135.00 127.19 2qny s PRO 89 Ca 0.63 0.88 -0.07 0.00 0.04 0.00 0.00 61.00 62.48 2qny s PRO 89 Cb -0.19 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.46 2qny s PRO 89 CO 0.57 -1.48 1.51 0.00 0.04 0.00 0.00 177.00 177.64 2qny h ALA 90 N -1.00 0.67 -0.31 8.56 0.00 -1.94 -3.37 119.26 121.86 2qny h ALA 90 Ca -0.45 -0.45 0.07 0.00 0.00 0.00 0.00 54.91 54.07 2qny h ALA 90 Cb 1.24 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 2qny h ALA 90 CO 0.56 0.67 -0.13 0.00 0.00 0.00 0.00 179.25 180.35 2qny h ALA 91 N 0.89 0.13 -0.83 0.00 0.00 -1.92 -0.01 119.26 117.51 2qny h ALA 91 Ca 0.05 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2qny h ALA 91 Cb 0.96 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 2qny h ALA 91 CO 0.09 -0.52 0.55 -1.35 0.00 0.00 0.00 179.25 178.02 2qny h PRO 92 N -0.08 1.01 -0.46 0.00 0.11 -1.87 0.50 132.00 131.21 2qny h PRO 92 Ca 0.16 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.13 2qny h PRO 92 Cb 0.32 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 2qny h PRO 92 CO -0.37 0.67 -0.04 0.52 -0.21 0.00 0.00 178.00 178.57 2qny h MET 93 N 1.04 0.83 -0.54 1.05 2.86 -1.47 -1.04 114.93 117.65 2qny h MET 93 Ca 0.33 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2qny h MET 93 Cb 0.02 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 2qny h MET 93 CO -0.10 0.91 0.33 0.28 1.06 0.00 0.00 176.91 179.39 2qny h VAL 94 N 0.68 1.16 -0.39 -2.22 2.07 -0.73 -1.56 116.25 115.27 2qny h VAL 94 Ca 0.12 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2qny h VAL 94 Cb 0.56 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2qny h VAL 94 CO 0.03 0.17 0.25 0.00 0.02 0.00 0.00 177.57 178.04 2qny h ALA 95 N 1.16 0.49 -0.66 1.67 0.00 -0.68 -2.01 119.26 119.24 2qny h ALA 95 Ca 0.20 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2qny h ALA 95 Cb -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2qny h ALA 95 CO -0.04 -0.03 0.43 0.00 0.00 0.00 0.00 179.25 179.62 2qny h ALA 96 N 1.12 0.83 0.00 0.00 0.00 -1.08 0.22 119.26 120.36 2qny h ALA 96 Ca 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2qny h ALA 96 Cb -0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 2qny h ALA 96 CO -0.03 0.26 -0.13 0.77 0.00 0.00 0.00 179.25 180.12 2qny h SER 97 N 0.89 0.00 0.14 0.00 0.02 -0.95 -1.18 113.55 112.47 2qny h SER 97 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2qny h SER 97 Cb -0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2qny h SER 97 CO -0.05 0.13 -0.04 0.18 -1.14 0.00 0.00 176.83 175.91 2qny n LEU 98 N -4.07 0.52 -0.53 5.07 4.77 -0.78 -4.91 117.00 117.07 2qny n LEU 98 Ca -0.02 -0.11 -0.04 0.00 -0.03 0.00 0.00 56.01 55.81 2qny n LEU 98 Cb 0.21 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2qny n LEU 98 CO 0.33 0.09 -0.05 0.61 -1.33 0.00 0.00 177.39 177.05 2qny n GLY 99 N 1.15 0.24 2.50 -0.72 0.00 -0.45 -4.70 105.19 103.21 2qny n GLY 99 Ca 0.19 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 2qny n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qny n ALA 100 N -1.35 3.09 0.27 4.61 0.00 0.03 -4.86 120.51 122.30 2qny n ALA 100 Ca -0.05 -3.36 0.18 0.00 0.00 0.00 0.00 53.44 50.22 2qny n ALA 100 Cb 0.54 -0.90 0.92 0.00 0.00 0.00 0.00 19.45 20.00 2qny n ALA 100 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2qny h LYS 101 N 2.97 0.00 0.00 0.00 2.10 -1.80 -2.90 116.57 116.94 2qny h LYS 101 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2qny h LYS 101 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 2qny h LYS 101 CO 0.53 0.00 -0.61 0.41 -2.00 0.00 0.00 179.45 177.78 2qny n GLY 102 N -1.28 -1.42 3.78 0.07 0.00 -1.26 -4.68 105.19 100.40 2qny n GLY 102 Ca -0.00 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 2qny n GLY 102 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qny s ILE 103 N -3.16 3.32 0.76 -0.61 -4.36 -1.10 -5.01 121.20 111.04 2qny s ILE 103 Ca 0.06 0.74 -0.13 0.00 -0.26 0.00 0.00 60.65 61.06 2qny s ILE 103 Cb 0.13 -3.26 0.05 0.00 1.25 0.00 0.00 42.46 40.64 2qny s ILE 103 CO 0.72 -0.25 1.14 -1.48 0.24 0.00 0.00 174.94 175.31 2qny s LEU 104 N -4.13 3.18 0.00 0.37 0.05 -1.23 -4.88 118.68 112.04 2qny s LEU 104 Ca 0.70 2.11 0.00 0.00 0.05 0.00 0.00 54.13 56.99 2qny s LEU 104 Cb -0.21 -4.56 0.00 0.00 -2.05 0.00 0.00 46.19 39.37 2qny s LEU 104 CO 0.31 -2.22 0.00 0.61 -0.55 0.00 0.00 176.35 174.51 2qny n GLY 105 N -0.24 1.28 3.66 -3.48 0.00 -1.26 -1.76 105.19 103.39 2qny n GLY 105 Ca 0.11 -0.89 -0.05 0.00 0.00 0.00 0.00 46.02 45.19 2qny n GLY 105 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qny s PHE 106 N -2.00 -0.20 -0.13 1.61 -0.71 -1.12 -4.80 117.98 110.62 2qny s PHE 106 Ca 0.00 -0.04 -0.12 0.00 -1.04 0.00 0.00 56.93 55.73 2qny s PHE 106 Cb 0.00 0.60 -0.05 0.00 -1.21 0.00 0.00 43.02 42.36 2qny s PHE 106 CO 0.00 -0.70 0.26 -0.51 -1.34 0.00 0.00 175.22 172.93 2qny s ASP 107 N -2.78 6.46 -0.18 1.98 1.01 -1.26 -2.24 116.67 119.66 2qny s ASP 107 Ca 0.10 0.54 -0.00 0.00 0.71 0.00 0.00 52.55 53.89 2qny s ASP 107 Cb -0.01 -2.16 0.00 0.00 1.01 0.00 0.00 42.92 41.76 2qny s ASP 107 CO -0.02 0.20 -0.15 -0.22 0.21 0.00 0.00 175.17 175.19 2qny s LEU 108 N -0.06 2.44 -0.19 1.23 0.20 -0.00 -4.98 118.68 117.32 2qny s LEU 108 Ca 0.16 -0.51 -0.01 0.00 0.69 0.00 0.00 54.13 54.46 2qny s LEU 108 Cb -0.13 -1.57 0.01 0.00 -0.43 0.00 0.00 46.19 44.07 2qny s LEU 108 CO 0.05 0.04 -0.13 -0.44 -0.29 0.00 0.00 176.35 175.57 2qny s SER 109 N 1.09 3.68 -0.32 3.68 0.01 -1.26 -3.01 113.70 117.57 2qny s SER 109 Ca 0.00 -0.52 0.16 0.00 1.31 0.00 0.00 55.95 56.90 2qny s SER 109 Cb -0.14 -1.60 0.44 0.00 0.21 0.00 0.00 66.02 64.93 2qny s SER 109 CO -0.05 0.00 1.39 0.00 0.41 0.00 0.00 173.24 174.99 2qny n ALA 110 N 4.63 2.73 -0.70 1.44 0.00 -1.26 -5.00 120.51 122.35 2qny n ALA 110 Ca -0.20 -1.62 0.00 0.00 0.00 0.00 0.00 53.44 51.62 2qny n ALA 110 Cb 0.51 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.10 2qny n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qny n GLY 111 N -1.17 3.19 0.16 0.00 0.00 -1.26 -2.54 105.19 103.58 2qny n GLY 111 Ca -0.09 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 45.97 2qny n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qny n ALA 113 N -0.87 2.46 -0.29 0.00 0.00 -1.05 -4.04 120.51 116.72 2qny n ALA 113 Ca 0.13 -0.78 0.05 0.00 0.00 0.00 0.00 53.44 52.84 2qny n ALA 113 Cb 0.31 -0.94 0.20 0.00 0.00 0.00 0.00 19.45 19.03 2qny n ALA 113 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2qny h GLY 114 N 4.72 1.34 0.98 0.00 0.00 -1.49 -2.45 103.07 106.16 2qny h GLY 114 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 2qny h GLY 114 CO 0.00 0.04 0.20 -2.75 0.00 0.00 0.00 176.54 174.03 2qny h PHE 115 N 0.70 0.83 -0.41 5.60 3.57 -1.80 0.95 116.94 126.38 2qny h PHE 115 Ca 0.43 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.86 2qny h PHE 115 Cb 0.52 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 2qny h PHE 115 CO -0.08 0.69 0.24 0.78 -2.23 0.00 0.00 178.31 177.71 2qny h GLY 116 N 0.73 0.60 0.93 2.40 0.00 -1.77 0.23 103.07 106.19 2qny h GLY 116 Ca 0.18 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 2qny h GLY 116 CO -0.01 0.25 0.07 -0.97 0.00 0.00 0.00 176.54 175.87 2qny h TYR 117 N 0.54 0.18 -0.52 5.60 0.05 -1.31 -1.53 116.97 119.99 2qny h TYR 117 Ca 0.15 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.92 2qny h TYR 117 Cb 0.02 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 2qny h TYR 117 CO -0.03 0.21 0.31 0.00 -1.05 0.00 0.00 178.16 177.59 2qny h ALA 118 N 0.96 0.66 0.04 3.88 0.00 -0.68 0.34 119.26 124.46 2qny h ALA 118 Ca 0.05 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2qny h ALA 118 Cb 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2qny h ALA 118 CO -0.01 0.15 -0.13 1.25 0.00 0.00 0.00 179.25 180.51 2qny h LEU 119 N 0.69 -0.37 -0.96 0.00 6.46 -0.51 -0.59 115.31 120.03 2qny h LEU 119 Ca 0.18 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 58.01 2qny h LEU 119 Cb 0.00 0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 40.03 2qny h LEU 119 CO -0.03 -0.19 0.64 1.23 -0.62 0.00 0.00 178.44 179.46 2qny h GLY 120 N -0.24 1.36 1.00 3.75 0.00 -1.06 -1.31 103.07 106.57 2qny h GLY 120 Ca 0.03 -0.50 -0.07 0.00 0.00 0.00 0.00 47.33 46.78 2qny h GLY 120 CO -0.10 0.49 0.02 0.00 0.00 0.00 0.00 176.54 176.95 2qny h ALA 121 N 1.36 0.67 -0.60 3.60 0.00 -0.60 0.69 119.26 124.38 2qny h ALA 121 Ca 0.35 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2qny h ALA 121 Cb -0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2qny h ALA 121 CO -0.08 0.46 0.22 0.00 0.00 0.00 0.00 179.25 179.85 2qny h ALA 122 N 0.94 0.78 -0.52 0.00 0.00 -0.88 -0.45 119.26 119.13 2qny h ALA 122 Ca 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2qny h ALA 122 Cb 0.49 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2qny h ALA 122 CO 0.02 0.41 0.29 0.00 0.00 0.00 0.00 179.25 179.98 2qny h ALA 123 N 1.08 0.67 -0.60 0.00 0.00 -1.07 -1.70 119.26 117.63 2qny h ALA 123 Ca 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2qny h ALA 123 Cb 0.23 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2qny h ALA 123 CO -0.01 0.18 0.35 -0.44 0.00 0.00 0.00 179.25 179.33 2qny h ASP 124 N 0.70 0.73 -0.33 0.00 3.32 -0.53 -1.52 116.42 118.79 2qny h ASP 124 Ca 0.18 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 2qny h ASP 124 Cb 0.04 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2qny h ASP 124 CO -0.03 0.59 -0.25 -0.03 -1.72 0.00 0.00 179.24 177.80 2qny h MET 125 N 0.82 0.83 -0.28 3.56 4.05 -0.95 -1.00 114.93 121.95 2qny h MET 125 Ca 0.21 -0.35 -0.11 0.00 -0.28 0.00 0.00 59.70 59.18 2qny h MET 125 Cb -0.00 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 2qny h MET 125 CO -0.04 0.98 -0.24 0.82 0.23 0.00 0.00 176.91 178.67 2qny h ILE 126 N 0.71 1.30 -0.03 1.77 2.04 -1.19 0.02 117.51 122.13 2qny h ILE 126 Ca 0.09 -1.39 -0.06 0.00 1.00 0.00 0.00 64.86 64.50 2qny h ILE 126 Cb 0.78 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 2qny h ILE 126 CO 0.06 0.44 -0.28 0.03 0.00 0.00 0.00 178.15 178.41 2qny h ARG 127 N 0.40 0.05 0.00 2.37 3.08 -1.19 -2.57 114.38 116.53 2qny h ARG 127 Ca 0.05 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2qny h ARG 127 Cb 0.79 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.84 2qny h ARG 127 CO 0.06 0.33 0.00 0.41 -1.07 0.00 0.00 179.97 179.70 2qny n GLY 128 N -0.68 -1.61 1.09 0.04 0.00 -0.39 -0.53 105.19 103.11 2qny n GLY 128 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2qny n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qny n GLY 129 N 1.20 0.71 0.21 -0.02 0.00 -0.97 -3.89 105.19 102.44 2qny n GLY 129 Ca 0.05 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.07 2qny n GLY 129 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qny h GLY 130 N 0.00 0.00 -2.95 -0.02 0.00 -1.24 -3.47 103.07 95.40 2qny h GLY 130 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2qny h GLY 130 CO 0.00 0.00 0.16 0.00 0.00 0.00 0.00 176.54 176.70 2qny s ALA 131 N -3.26 -1.45 -0.14 3.60 0.00 -1.18 -4.98 121.76 114.34 2qny s ALA 131 Ca 0.07 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.39 2qny s ALA 131 Cb 0.06 0.85 -0.10 0.00 0.00 0.00 0.00 23.12 23.94 2qny s ALA 131 CO 0.64 -0.76 -0.10 0.00 0.00 0.00 0.00 175.76 175.53 2qny n ALA 132 N -0.36 1.70 -3.48 0.00 0.00 -1.26 -4.04 120.51 113.07 2qny n ALA 132 Ca -0.16 -0.62 -0.17 0.00 0.00 0.00 0.00 53.44 52.49 2qny n ALA 132 Cb 0.64 0.15 -0.16 0.00 0.00 0.00 0.00 19.45 20.09 2qny n ALA 132 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qny s THR 133 N -2.28 0.28 0.09 0.00 2.01 -1.26 -3.97 115.64 110.50 2qny s THR 133 Ca -0.17 -0.02 0.04 0.00 0.31 0.00 0.00 61.69 61.85 2qny s THR 133 Cb 0.05 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 72.20 2qny s THR 133 CO 0.34 0.15 -0.12 -0.04 -0.69 0.00 0.00 174.62 174.26 2qny s MET 134 N 0.72 0.83 -0.16 4.92 -1.94 0.12 -0.69 119.30 123.10 2qny s MET 134 Ca -0.08 -1.05 -0.08 0.00 -1.71 0.00 0.00 55.69 52.77 2qny s MET 134 Cb -0.11 -0.66 -0.04 0.00 2.01 0.00 0.00 34.83 36.02 2qny s MET 134 CO -0.01 0.13 0.12 -0.51 -0.01 0.00 0.00 175.02 174.74 2qny s LEU 135 N -2.10 4.24 -0.14 -0.03 1.43 -0.53 -0.01 118.68 121.53 2qny s LEU 135 Ca 0.02 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 2qny s LEU 135 Cb -0.06 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.12 2qny s LEU 135 CO 0.01 0.29 -0.10 -0.69 0.23 0.00 0.00 176.35 176.09 2qny s VAL 136 N -0.31 1.33 -0.11 -1.59 1.01 -0.31 -1.08 120.40 119.34 2qny s VAL 136 Ca 0.11 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.55 2qny s VAL 136 Cb -0.12 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 34.97 2qny s VAL 136 CO 0.01 0.37 -0.09 0.54 0.00 0.00 0.00 175.10 175.93 2qny s VAL 137 N 1.58 1.08 -0.13 2.92 0.11 0.03 -0.17 120.40 125.82 2qny s VAL 137 Ca 0.04 -0.34 -0.17 0.00 -2.93 0.00 0.00 61.98 58.58 2qny s VAL 137 Cb -0.13 -1.07 -0.04 0.00 -1.53 0.00 0.00 36.38 33.60 2qny s VAL 137 CO -0.09 0.37 0.42 -0.83 -3.33 0.00 0.00 175.10 171.64 2qny s GLY 138 N 1.50 2.34 -0.03 6.54 0.00 -0.34 0.05 107.32 117.39 2qny s GLY 138 Ca 0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 44.72 44.41 2qny s GLY 138 CO -0.06 0.67 0.15 -1.08 0.00 0.00 0.00 173.10 172.77 2qny s THR 139 N 0.55 0.04 -0.22 0.90 -1.32 -0.58 -0.88 115.64 114.13 2qny s THR 139 Ca 0.23 -0.33 -0.09 0.00 -1.21 0.00 0.00 61.69 60.29 2qny s THR 139 Cb -0.15 -0.32 0.09 0.00 -1.51 0.00 0.00 72.50 70.61 2qny s THR 139 CO 0.09 -0.18 0.49 -0.70 -2.21 0.00 0.00 174.62 172.11 2qny s GLU 140 N -0.60 0.44 -0.65 7.08 2.56 -0.21 -4.33 118.70 122.99 2qny s GLU 140 Ca -0.07 1.07 0.01 0.00 0.00 0.00 0.00 54.97 55.98 2qny s GLU 140 Cb -0.04 0.30 0.16 0.00 2.00 0.00 0.00 34.13 36.55 2qny s GLU 140 CO 0.01 -0.20 0.45 0.21 -0.56 0.00 0.00 175.26 175.17 2qny s LYS 141 N 2.20 2.50 0.15 4.30 2.20 -1.26 -1.53 119.74 128.30 2qny s LYS 141 Ca -0.06 -2.84 0.18 0.00 -0.36 0.00 0.00 55.97 52.90 2qny s LYS 141 Cb -0.10 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.58 2qny s LYS 141 CO -0.15 -1.19 1.02 -0.07 -0.36 0.00 0.00 175.35 174.60 2qny h LEU 142 N 6.40 0.00 -0.91 5.43 3.38 -1.94 -3.39 115.31 124.28 2qny h LEU 142 Ca 0.02 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.16 2qny h LEU 142 Cb 0.87 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.52 2qny h LEU 142 CO 0.73 0.38 0.49 0.77 0.09 0.00 0.00 178.44 180.90 2qny h SER 143 N 0.00 0.60 0.61 -0.43 4.64 -1.85 0.56 113.55 117.68 2qny h SER 143 Ca -0.09 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2qny h SER 143 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2qny h SER 143 CO 0.03 0.22 0.00 -0.65 -0.87 0.00 0.00 176.83 175.57 2qny h PRO 144 N 0.66 0.00 -0.01 4.77 0.11 -1.98 -2.82 132.00 132.73 2qny h PRO 144 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 2qny h PRO 144 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2qny h PRO 144 CO -0.38 0.00 -0.15 0.25 -0.21 0.00 0.00 178.00 177.50 2qny n THR 145 N -2.73 0.00 -2.88 -1.15 -2.24 0.19 -4.89 114.28 100.56 2qny n THR 145 Ca 0.00 -0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 2qny n THR 145 Cb 0.20 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.50 2qny n THR 145 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2qny s ILE 146 N -2.45 4.92 -0.58 2.28 1.01 -1.07 -1.86 121.20 123.45 2qny s ILE 146 Ca 0.28 1.69 -0.26 0.00 0.00 0.00 0.00 60.65 62.36 2qny s ILE 146 Cb 0.20 -4.16 0.04 0.00 0.01 0.00 0.00 42.46 38.55 2qny s ILE 146 CO 0.48 0.11 1.08 -0.62 0.00 0.00 0.00 174.94 175.99 2qny s ASP 147 N 1.02 6.37 0.00 3.58 3.68 -1.26 -4.91 116.67 125.15 2qny s ASP 147 Ca 0.41 -0.17 0.09 0.00 2.13 0.00 0.00 52.55 55.02 2qny s ASP 147 Cb -0.18 -2.50 0.48 0.00 -1.45 0.00 0.00 42.92 39.28 2qny s ASP 147 CO 0.17 -1.39 1.17 0.23 0.13 0.00 0.00 175.17 175.48 2qny n MET 148 N 8.04 0.15 0.00 4.34 2.81 -1.26 -0.89 117.12 130.31 2qny n MET 148 Ca 0.05 0.18 0.10 0.00 -1.81 0.00 0.00 57.70 56.22 2qny n MET 148 Cb 0.48 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.43 2qny n MET 148 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2qny n TYR 149 N -1.26 0.00 -2.48 2.03 4.02 -1.26 -4.83 117.16 113.38 2qny n TYR 149 Ca 0.05 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.53 2qny n TYR 149 Cb 0.07 -0.05 -0.03 0.00 -0.02 0.00 0.00 39.34 39.31 2qny n TYR 149 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2qny s ASP 150 N -3.03 6.08 0.00 7.72 3.68 -0.07 -4.85 116.67 126.21 2qny s ASP 150 Ca 0.08 -0.49 0.20 0.00 2.13 0.00 0.00 52.55 54.47 2qny s ASP 150 Cb 0.16 -2.56 1.18 0.00 -1.45 0.00 0.00 42.92 40.26 2qny s ASP 150 CO 0.85 -1.88 1.60 -2.11 0.13 0.00 0.00 175.17 173.76 2qny n ARG 151 N 9.29 0.70 0.00 4.34 1.85 -1.26 -2.06 116.66 129.52 2qny n ARG 151 Ca 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.94 2qny n ARG 151 Cb 0.50 -1.44 -0.11 0.00 -1.05 0.00 0.00 32.46 30.36 2qny n ARG 151 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2qny n GLY 152 N 0.38 -1.14 0.00 2.89 0.00 -1.26 -4.77 105.19 101.29 2qny n GLY 152 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2qny n GLY 152 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qny n ASN 153 N -2.79 0.00 0.28 1.61 0.23 -1.14 -4.90 115.26 108.56 2qny n ASN 153 Ca -0.13 -0.16 0.18 0.00 -0.53 0.00 0.00 54.58 53.94 2qny n ASN 153 Cb 0.86 0.00 0.96 0.00 -2.08 0.00 0.00 39.78 39.52 2qny n ASN 153 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2qny n PHE 155 N -3.46 0.00 -0.10 0.00 1.16 -1.26 -4.57 117.46 109.23 2qny n PHE 155 Ca -0.01 0.00 -0.23 0.00 -1.87 0.00 0.00 57.45 55.34 2qny n PHE 155 Cb 0.22 -0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 37.97 2qny n PHE 155 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 2qny n ILE 156 N 0.82 1.55 -3.35 1.97 5.41 0.17 -4.93 119.36 121.00 2qny n ILE 156 Ca 0.16 -0.14 -0.35 0.00 1.00 0.00 0.00 62.75 63.43 2qny n ILE 156 Cb 0.49 -1.99 -0.06 0.00 -0.71 0.00 0.00 39.64 37.38 2qny n ILE 156 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2qny s PHE 157 N -2.40 3.59 0.36 1.39 0.40 -1.25 -1.18 117.98 118.88 2qny s PHE 157 Ca -0.30 1.06 -0.03 0.00 -0.60 0.00 0.00 56.93 57.06 2qny s PHE 157 Cb 0.08 -2.37 0.01 0.00 0.51 0.00 0.00 43.02 41.24 2qny s PHE 157 CO 0.59 0.41 0.51 0.00 0.70 0.00 0.00 175.22 177.42 2qny s ALA 158 N -1.50 0.68 0.06 5.36 0.00 -0.67 -4.75 121.76 120.94 2qny s ALA 158 Ca 0.39 -1.48 0.04 0.00 0.00 0.00 0.00 51.96 50.91 2qny s ALA 158 Cb -0.15 1.11 -0.04 0.00 0.00 0.00 0.00 23.12 24.05 2qny s ALA 158 CO 0.19 -0.81 -0.01 -0.51 0.00 0.00 0.00 175.76 174.63 2qny s ASP 159 N -3.24 5.02 0.00 0.00 1.01 -0.47 -4.02 116.67 114.98 2qny s ASP 159 Ca 0.29 -0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.43 2qny s ASP 159 Cb -0.01 -1.23 0.00 0.00 1.01 0.00 0.00 42.92 42.69 2qny s ASP 159 CO 0.20 0.22 0.00 0.61 0.21 0.00 0.00 175.17 176.41 2qny n GLY 160 N 0.89 1.14 3.27 0.21 0.00 -0.58 -4.60 105.19 105.52 2qny n GLY 160 Ca -0.12 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 2qny n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qny s ALA 161 N -2.00 -0.91 -0.08 4.61 0.00 0.01 -1.04 121.76 122.35 2qny s ALA 161 Ca 0.00 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 52.56 2qny s ALA 161 Cb 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.91 2qny s ALA 161 CO 0.00 -0.23 0.28 0.00 0.00 0.00 0.00 175.76 175.81 2qny s ALA 162 N -0.66 -0.70 0.12 0.00 0.00 -0.06 -0.10 121.76 120.37 2qny s ALA 162 Ca -0.08 0.64 0.08 0.00 0.00 0.00 0.00 51.96 52.61 2qny s ALA 162 Cb -0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 2qny s ALA 162 CO 0.03 -0.17 -0.21 0.00 0.00 0.00 0.00 175.76 175.42 2qny s ALA 163 N -0.27 1.87 0.06 0.00 0.00 -0.02 -1.20 121.76 122.21 2qny s ALA 163 Ca -0.04 -1.31 0.09 0.00 0.00 0.00 0.00 51.96 50.71 2qny s ALA 163 Cb -0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 2qny s ALA 163 CO 0.01 0.34 -0.26 0.14 0.00 0.00 0.00 175.76 176.00 2qny s VAL 164 N -1.35 2.08 -0.16 0.00 -7.23 0.76 -1.08 120.40 113.42 2qny s VAL 164 Ca 0.09 -1.45 -0.16 0.00 -1.81 0.00 0.00 61.98 58.65 2qny s VAL 164 Cb -0.09 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 2qny s VAL 164 CO 0.05 0.27 0.39 -0.69 -0.31 0.00 0.00 175.10 174.81 2qny s VAL 165 N -0.87 5.23 -0.10 1.32 1.01 -1.02 -1.17 120.40 124.80 2qny s VAL 165 Ca 0.11 0.75 0.03 0.00 0.00 0.00 0.00 61.98 62.88 2qny s VAL 165 Cb -0.10 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 2qny s VAL 165 CO 0.03 0.32 -0.21 -0.69 0.00 0.00 0.00 175.10 174.56 2qny s VAL 166 N 0.78 2.39 0.07 2.92 1.01 0.99 -0.49 120.40 128.07 2qny s VAL 166 Ca 0.21 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 2qny s VAL 166 Cb -0.14 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.33 2qny s VAL 166 CO 0.07 0.55 0.33 0.61 0.00 0.00 0.00 175.10 176.66 2qny n GLY 167 N 3.37 1.18 3.72 4.51 0.00 -0.84 0.11 105.19 117.25 2qny n GLY 167 Ca -0.18 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 2qny n GLY 167 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qny s GLU 168 N -2.02 4.28 0.17 1.61 2.12 -1.25 -0.66 118.70 122.94 2qny s GLU 168 Ca 0.07 2.21 0.08 0.00 0.36 0.00 0.00 54.97 57.69 2qny s GLU 168 Cb -0.01 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 2qny s GLU 168 CO 0.02 -0.49 -0.17 0.95 -0.54 0.00 0.00 175.26 175.03 2qny s THR 169 N 0.96 1.74 0.41 -1.70 -4.23 -0.99 -4.82 115.64 107.01 2qny s THR 169 Ca 0.66 -1.98 0.07 0.00 -1.18 0.00 0.00 61.69 59.26 2qny s THR 169 Cb -0.40 -1.86 0.27 0.00 1.34 0.00 0.00 72.50 71.84 2qny s THR 169 CO 0.32 -0.41 2.06 -0.65 -0.54 0.00 0.00 174.62 175.40 2qny h PRO 170 N 3.07 0.52 -5.89 3.99 0.11 -1.96 -3.42 132.00 128.42 2qny h PRO 170 Ca -0.41 -0.03 -0.52 0.00 0.11 0.00 0.00 66.00 65.15 2qny h PRO 170 Cb 1.21 -0.12 -0.16 0.00 0.11 0.00 0.00 31.00 32.05 2qny h PRO 170 CO 0.54 0.34 -0.76 -0.06 -0.21 0.00 0.00 178.00 177.86 2qny s PHE 171 N -5.48 1.91 0.08 0.65 0.40 -1.26 -4.99 117.98 109.28 2qny s PHE 171 Ca -0.08 -0.47 -0.31 0.00 -0.60 0.00 0.00 56.93 55.47 2qny s PHE 171 Cb 0.17 -0.89 -0.09 0.00 0.51 0.00 0.00 43.02 42.71 2qny s PHE 171 CO 0.73 0.44 1.88 -1.14 0.70 0.00 0.00 175.22 177.82 2qny s GLN 172 N -3.28 4.14 0.00 0.44 2.00 -1.26 -4.55 119.66 117.15 2qny s GLN 172 Ca 0.22 2.58 0.04 0.00 -2.00 0.00 0.00 55.36 56.20 2qny s GLN 172 Cb -0.04 -3.85 0.00 0.00 0.80 0.00 0.00 33.01 29.92 2qny s GLN 172 CO 0.09 -0.89 0.43 0.41 -0.50 0.00 0.00 175.29 174.83 2qny n GLY 173 N 4.35 -0.28 2.70 2.59 0.00 0.13 -4.88 105.19 109.80 2qny n GLY 173 Ca 0.19 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 2qny n GLY 173 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qny s ILE 174 N -0.83 0.26 0.91 -0.61 1.01 -1.02 -1.80 121.20 119.12 2qny s ILE 174 Ca 0.04 -0.25 -0.12 0.00 0.00 0.00 0.00 60.65 60.32 2qny s ILE 174 Cb 0.03 -0.74 0.14 0.00 0.01 0.00 0.00 42.46 41.90 2qny s ILE 174 CO 0.11 -0.13 1.09 -0.83 0.00 0.00 0.00 174.94 175.18 2qny s GLY 175 N 1.99 1.61 0.38 6.18 0.00 0.13 -4.95 107.32 112.66 2qny s GLY 175 Ca 0.01 -0.14 -0.27 0.00 0.00 0.00 0.00 44.72 44.32 2qny s GLY 175 CO -0.07 0.36 1.40 -1.05 0.00 0.00 0.00 173.10 173.74 2qny n PRO 176 N -3.90 2.38 -2.33 2.90 -0.02 -1.26 -4.69 135.00 128.08 2qny n PRO 176 Ca 0.07 0.84 -0.42 0.00 -2.02 0.00 0.00 63.50 61.96 2qny n PRO 176 Cb 0.56 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 2qny n PRO 176 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2qny s THR 177 N -1.13 3.76 -0.23 3.45 2.01 -1.26 -4.65 115.64 117.59 2qny s THR 177 Ca 0.56 1.27 -0.01 0.00 0.31 0.00 0.00 61.69 63.81 2qny s THR 177 Cb -0.50 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.22 2qny s THR 177 CO 0.62 0.10 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.87 2qny s VAL 178 N 1.05 2.74 0.11 3.82 1.01 -0.00 -5.00 120.40 124.14 2qny s VAL 178 Ca 0.61 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 2qny s VAL 178 Cb -0.32 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.73 2qny s VAL 178 CO 0.30 0.30 0.22 0.00 0.00 0.00 0.00 175.10 175.92 2qny s ALA 179 N 1.33 -0.15 0.00 5.51 0.00 -1.26 0.49 121.76 127.69 2qny s ALA 179 Ca 0.02 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2qny s ALA 179 Cb -0.16 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.57 2qny s ALA 179 CO -0.06 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.56 2qny n GLY 180 N -0.11 -1.18 3.43 0.00 0.00 -0.12 -4.98 105.19 102.23 2qny n GLY 180 Ca -0.13 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 2qny n GLY 180 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qny s SER 181 N -1.39 0.44 -0.37 1.61 0.01 -1.26 -0.55 113.70 112.19 2qny s SER 181 Ca 0.00 -1.30 0.02 0.00 1.31 0.00 0.00 55.95 55.98 2qny s SER 181 Cb 0.00 0.55 0.15 0.00 0.21 0.00 0.00 66.02 66.93 2qny s SER 181 CO 0.00 -1.10 0.29 -0.62 0.41 0.00 0.00 173.24 172.22 2qny s ASP 182 N -3.16 2.11 0.53 2.44 3.68 0.29 -4.94 116.67 117.63 2qny s ASP 182 Ca 0.31 -2.23 0.36 0.00 2.13 0.00 0.00 52.55 53.12 2qny s ASP 182 Cb 0.02 -0.12 1.76 0.00 -1.45 0.00 0.00 42.92 43.13 2qny s ASP 182 CO 0.15 -0.26 2.07 1.23 0.13 0.00 0.00 175.17 178.49 2qny h GLY 183 N 6.67 0.00 2.00 2.66 0.00 -1.77 -2.38 103.07 110.25 2qny h GLY 183 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2qny h GLY 183 CO 0.26 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.63 2qny h GLU 184 N 0.00 0.00 -0.39 4.80 4.39 -1.95 -2.92 114.58 118.51 2qny h GLU 184 Ca 0.00 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 2qny h GLU 184 Cb 0.19 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.75 2qny h GLU 184 CO 0.00 0.00 0.02 1.04 -1.16 0.00 0.00 179.01 178.91 2qny n GLN 185 N -2.32 2.30 0.21 2.33 6.02 -0.90 -4.74 117.38 120.28 2qny n GLN 185 Ca 0.04 -3.05 0.15 0.00 -0.01 0.00 0.00 57.00 54.12 2qny n GLN 185 Cb 0.34 -1.87 0.78 0.00 1.02 0.00 0.00 30.24 30.51 2qny n GLN 185 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qny h ALA 186 N 1.32 1.90 0.00 -1.58 0.00 -1.63 -1.79 119.26 117.49 2qny h ALA 186 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2qny h ALA 186 Cb 1.71 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2qny h ALA 186 CO 0.40 -0.21 0.00 -0.40 0.00 0.00 0.00 179.25 179.04 2qny n ASP 187 N -4.09 0.00 -0.02 0.00 5.75 -1.26 -3.88 116.55 113.05 2qny n ASP 187 Ca 0.01 -0.13 -0.09 0.00 -0.01 0.00 0.00 54.79 54.57 2qny n ASP 187 Cb 0.26 -0.26 0.07 0.00 -1.03 0.00 0.00 41.12 40.16 2qny n ASP 187 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qny h ALA 188 N 3.18 0.77 -3.24 2.12 0.00 -1.69 -3.40 119.26 117.00 2qny h ALA 188 Ca 0.00 -0.46 -0.49 0.00 0.00 0.00 0.00 54.91 53.96 2qny h ALA 188 Cb 0.21 -0.10 -0.38 0.00 0.00 0.00 0.00 17.79 17.51 2qny h ALA 188 CO 0.00 0.66 -0.78 0.42 0.00 0.00 0.00 179.25 179.55 2qny s ILE 189 N -4.20 0.69 -0.03 0.00 1.01 -1.25 0.16 121.20 117.57 2qny s ILE 189 Ca -0.08 -0.18 -0.25 0.00 0.00 0.00 0.00 60.65 60.14 2qny s ILE 189 Cb 0.12 -0.85 0.05 0.00 0.01 0.00 0.00 42.46 41.79 2qny s ILE 189 CO 0.84 0.22 0.55 0.00 0.00 0.00 0.00 174.94 176.54 2qny s ARG 190 N 1.83 0.93 0.03 2.79 1.70 -0.64 -4.41 118.95 121.17 2qny s ARG 190 Ca 0.04 0.08 -0.30 0.00 -0.47 0.00 0.00 55.73 55.07 2qny s ARG 190 Cb -0.13 0.43 -0.06 0.00 -0.57 0.00 0.00 34.95 34.62 2qny s ARG 190 CO -0.07 -0.28 1.35 -1.14 -1.08 0.00 0.00 175.30 174.08 2qny s GLN 191 N -1.31 4.32 0.14 3.89 0.74 -1.26 -0.04 119.66 126.14 2qny s GLN 191 Ca -0.12 1.93 0.06 0.00 0.05 0.00 0.00 55.36 57.29 2qny s GLN 191 Cb -0.02 -3.47 -0.11 0.00 1.10 0.00 0.00 33.01 30.51 2qny s GLN 191 CO 0.07 -0.48 1.33 0.38 -0.55 0.00 0.00 175.29 176.04 2qny h ASP 192 N 7.41 0.06 -3.31 6.67 2.03 -1.80 -3.43 116.42 124.05 2qny h ASP 192 Ca -0.39 -0.06 -0.54 0.00 -0.73 0.00 0.00 57.03 55.31 2qny h ASP 192 Cb 1.19 -0.02 -0.35 0.00 -0.83 0.00 0.00 39.33 39.32 2qny h ASP 192 CO 0.88 0.97 -0.82 -0.63 -1.03 0.00 0.00 179.24 178.61 2qny s ILE 193 N -2.89 1.22 0.54 4.15 1.01 -1.26 -5.04 121.20 118.93 2qny s ILE 193 Ca -0.00 -0.48 -0.20 0.00 0.00 0.00 0.00 60.65 59.97 2qny s ILE 193 Cb 0.10 -1.15 -0.06 0.00 0.01 0.00 0.00 42.46 41.37 2qny s ILE 193 CO 0.82 0.39 1.14 1.51 0.00 0.00 0.00 174.94 178.79 2qny s ASP 194 N 1.03 5.73 0.35 3.58 1.47 -1.26 -4.63 116.67 122.93 2qny s ASP 194 Ca -0.07 2.20 0.04 0.00 1.18 0.00 0.00 52.55 55.90 2qny s ASP 194 Cb -0.15 -2.58 0.68 0.00 -0.34 0.00 0.00 42.92 40.53 2qny s ASP 194 CO -0.01 -1.21 1.96 -0.50 0.68 0.00 0.00 175.17 176.08 2qny h TRP 195 N 1.25 0.83 -0.12 2.11 -0.00 -1.99 -1.32 115.95 116.70 2qny h TRP 195 Ca -0.50 0.02 -0.09 0.00 -0.00 0.00 0.00 58.89 58.32 2qny h TRP 195 Cb 1.26 -0.27 0.00 0.00 -0.00 0.00 0.00 29.16 30.15 2qny h TRP 195 CO 0.51 0.45 -0.26 0.82 -0.00 0.00 0.00 178.44 179.96 2qny h ILE 196 N 0.83 1.38 -0.64 1.49 1.08 -1.98 0.65 117.51 120.31 2qny h ILE 196 Ca 0.32 -1.54 0.05 0.00 -0.39 0.00 0.00 64.86 63.30 2qny h ILE 196 Cb 0.20 2.06 -0.05 0.00 -3.07 0.00 0.00 36.82 35.96 2qny h ILE 196 CO -0.10 0.45 0.36 0.74 -0.69 0.00 0.00 178.15 178.91 2qny h THR 197 N -0.02 0.99 -0.13 -0.27 2.02 -1.84 0.94 112.91 114.60 2qny h THR 197 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2qny h THR 197 Cb 0.85 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2qny h THR 197 CO 0.06 0.12 0.08 0.15 0.37 0.00 0.00 175.52 176.30 2qny h PHE 198 N 0.68 0.15 -0.72 3.16 3.57 -1.22 -1.98 116.94 120.58 2qny h PHE 198 Ca 0.28 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.79 2qny h PHE 198 Cb 0.15 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 2qny h PHE 198 CO -0.08 0.09 0.47 0.00 -2.23 0.00 0.00 178.31 176.56 2qny h ALA 199 N 1.05 1.47 0.00 2.41 0.00 -0.17 -1.35 119.26 122.68 2qny h ALA 199 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qny h ALA 199 Cb -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2qny h ALA 199 CO -0.02 0.48 0.00 1.04 0.00 0.00 0.00 179.25 180.76 2qny n GLN 200 N -4.42 0.20 -3.12 0.00 6.02 0.26 -4.16 117.38 112.16 2qny n GLN 200 Ca 0.08 0.21 -0.21 0.00 -0.01 0.00 0.00 57.00 57.06 2qny n GLN 200 Cb 0.04 -1.75 -0.04 0.00 1.02 0.00 0.00 30.24 29.52 2qny n GLN 200 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2qny n ASN 201 N -2.09 1.95 0.27 1.08 3.02 -0.53 -4.96 115.26 114.00 2qny n ASN 201 Ca 0.05 -3.21 0.18 0.00 -0.03 0.00 0.00 54.58 51.58 2qny n ASN 201 Cb 0.38 -0.60 0.92 0.00 -0.61 0.00 0.00 39.78 39.86 2qny n ASN 201 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2qny h PRO 202 N 3.05 0.00 0.00 3.52 0.13 -1.67 -0.96 132.00 136.07 2qny h PRO 202 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2qny h PRO 202 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2qny h PRO 202 CO 0.60 0.00 -0.01 0.66 -0.23 0.00 0.00 178.00 179.02 2qny h SER 202 N 0.00 0.00 -3.47 1.44 4.64 -1.93 -3.46 113.55 110.78 2qny h SER 202 Ca 0.00 -0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 2qny h SER 202 Cb 0.12 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.30 2qny h SER 202 CO 0.00 0.00 0.20 0.61 -0.87 0.00 0.00 176.83 176.77 2qny n GLY 202 N 1.29 -0.84 3.78 -0.77 0.00 -0.37 -5.06 105.19 103.22 2qny n GLY 202 Ca 0.05 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 2qny n GLY 202 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qny s PRO 202 N -4.53 2.82 0.43 1.61 0.04 -1.26 -5.05 135.00 129.06 2qny s PRO 202 Ca 0.43 1.33 -0.04 0.00 0.04 0.00 0.00 61.00 62.76 2qny s PRO 202 Cb -0.01 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2qny s PRO 202 CO 0.30 -1.23 0.72 -0.98 0.04 0.00 0.00 177.00 175.85 2qny s ARG 202 N -4.19 3.55 0.30 4.56 1.70 -1.26 -4.93 118.95 118.68 2qny s ARG 202 Ca 0.66 0.09 -0.29 0.00 -0.47 0.00 0.00 55.73 55.72 2qny s ARG 202 Cb -0.19 -2.46 -0.10 0.00 -0.57 0.00 0.00 34.95 31.63 2qny s ARG 202 CO 0.43 -0.09 1.14 -2.14 -1.08 0.00 0.00 175.30 173.56 2qny s PRO 203 N -4.50 4.56 0.13 3.89 0.02 -1.26 -4.90 135.00 132.94 2qny s PRO 203 Ca 0.46 1.88 0.02 0.00 0.02 0.00 0.00 61.00 63.38 2qny s PRO 203 Cb -0.10 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.24 2qny s PRO 203 CO 0.41 0.11 -0.03 -0.06 -0.33 0.00 0.00 177.00 177.10 2qny s PHE 204 N -1.18 1.04 0.18 6.54 0.08 -1.26 -4.98 117.98 118.41 2qny s PHE 204 Ca 0.46 -0.97 -0.30 0.00 0.12 0.00 0.00 56.93 56.23 2qny s PHE 204 Cb -0.33 -0.60 -0.09 0.00 -0.57 0.00 0.00 43.02 41.43 2qny s PHE 204 CO 0.43 -0.19 1.36 0.54 -0.10 0.00 0.00 175.22 177.26 2qny s VAL 205 N -3.65 3.12 0.08 -0.44 0.11 -0.78 -2.14 120.40 116.70 2qny s VAL 205 Ca 0.18 0.89 0.08 0.00 -2.93 0.00 0.00 61.98 60.19 2qny s VAL 205 Cb 0.06 -3.57 -0.03 0.00 -1.53 0.00 0.00 36.38 31.31 2qny s VAL 205 CO -0.00 0.11 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.55 2qny s ARG 206 N 0.23 1.19 -0.04 1.54 1.81 0.94 -4.70 118.95 119.92 2qny s ARG 206 Ca 0.60 -1.05 -0.01 0.00 -1.72 0.00 0.00 55.73 53.54 2qny s ARG 206 Cb -0.38 -1.38 0.03 0.00 -0.45 0.00 0.00 34.95 32.77 2qny s ARG 206 CO 0.37 0.33 0.05 -1.17 -0.68 0.00 0.00 175.30 174.20 2qny s LEU 207 N -1.60 0.44 -1.05 2.53 2.96 -1.26 -1.63 118.68 119.08 2qny s LEU 207 Ca 0.06 0.06 -0.16 0.00 -0.22 0.00 0.00 54.13 53.87 2qny s LEU 207 Cb -0.09 -0.14 0.16 0.00 0.50 0.00 0.00 46.19 46.62 2qny s LEU 207 CO 0.03 -0.21 1.23 -1.61 -1.32 0.00 0.00 176.35 174.47 2qny s GLU 208 N 1.84 3.84 0.14 1.98 0.41 0.12 -4.93 118.70 122.09 2qny s GLU 208 Ca 0.01 -2.24 -0.30 0.00 -0.41 0.00 0.00 54.97 52.03 2qny s GLU 208 Cb -0.12 -4.92 -0.07 0.00 -1.78 0.00 0.00 34.13 27.24 2qny s GLU 208 CO -0.03 -1.71 1.56 0.78 -0.49 0.00 0.00 175.26 175.38 2qny h GLY 209 N 9.72 -0.82 0.21 -1.39 0.00 -1.93 -2.30 103.07 106.56 2qny h GLY 209 Ca 0.22 0.62 0.10 0.00 0.00 0.00 0.00 47.33 48.27 2qny h GLY 209 CO 1.13 -0.18 0.07 -2.55 0.00 0.00 0.00 176.54 175.02 2qny h PRO 210 N -0.44 0.19 -0.72 4.80 0.11 -1.99 0.17 132.00 134.13 2qny h PRO 210 Ca 0.09 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.20 2qny h PRO 210 Cb 0.62 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.65 2qny h PRO 210 CO -0.51 0.13 0.47 0.00 -0.21 0.00 0.00 178.00 177.88 2qny h ALA 211 N 1.45 0.92 -0.16 -0.75 0.00 -1.90 -0.57 119.26 118.26 2qny h ALA 211 Ca 0.28 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2qny h ALA 211 Cb 0.41 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2qny h ALA 211 CO -0.39 0.31 -0.08 0.28 0.00 0.00 0.00 179.25 179.36 2qny h VAL 212 N 0.95 1.32 -0.17 0.00 2.07 -0.92 -2.04 116.25 117.46 2qny h VAL 212 Ca 0.27 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.70 2qny h VAL 212 Cb -0.08 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 2qny h VAL 212 CO -0.07 0.34 -0.18 0.15 0.02 0.00 0.00 177.57 177.83 2qny h PHE 213 N 0.01 -0.45 -0.78 1.57 3.57 -0.53 0.55 116.94 120.88 2qny h PHE 213 Ca 0.03 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 2qny h PHE 213 Cb 0.56 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 2qny h PHE 213 CO 0.07 -0.25 0.28 -0.09 -2.23 0.00 0.00 178.31 176.08 2qny h ARG 214 N -0.20 1.18 0.18 1.11 2.43 -1.11 0.11 114.38 118.07 2qny h ARG 214 Ca 0.11 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 2qny h ARG 214 Cb 0.37 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2qny h ARG 214 CO -0.29 0.98 -0.08 2.35 -1.51 0.00 0.00 179.97 181.41 2qny h TRP 215 N 1.14 -0.22 0.30 2.20 7.01 -1.10 -3.04 115.95 122.24 2qny h TRP 215 Ca 0.25 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.23 2qny h TRP 215 Cb 0.26 0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 2qny h TRP 215 CO 0.02 0.13 -0.15 0.00 -2.79 0.00 0.00 178.44 175.66 2qny h ALA 216 N 0.12 -0.41 -0.59 2.65 0.00 -0.79 -1.15 119.26 119.09 2qny h ALA 216 Ca -0.02 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.76 2qny h ALA 216 Cb 0.45 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2qny h ALA 216 CO 0.04 -0.64 0.39 0.00 0.00 0.00 0.00 179.25 179.05 2qny h ALA 217 N 0.05 1.64 0.00 0.00 0.00 -1.10 -2.38 119.26 117.47 2qny h ALA 217 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2qny h ALA 217 Cb 0.43 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2qny h ALA 217 CO 0.07 0.31 -1.33 1.19 0.00 0.00 0.00 179.25 179.48 2qny n PHE 218 N -4.46 0.00 -0.05 0.00 3.72 -1.15 -4.59 117.46 110.94 2qny n PHE 218 Ca 0.07 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.44 2qny n PHE 218 Cb 0.10 -0.21 -0.10 0.00 -0.94 0.00 0.00 39.48 38.33 2qny n PHE 218 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2qny n LYS 219 N -1.77 1.52 0.23 -1.08 4.76 -0.44 -4.62 118.16 116.77 2qny n LYS 219 Ca 0.00 -0.04 0.15 0.00 -2.87 0.00 0.00 58.31 55.55 2qny n LYS 219 Cb 0.38 -1.32 0.50 0.00 -1.84 0.00 0.00 35.03 32.75 2qny n LYS 219 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 2qny h MET 220 N 0.00 0.00 -0.26 1.97 2.86 -1.57 -3.01 114.93 114.92 2qny h MET 220 Ca -0.24 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 2qny h MET 220 Cb 1.44 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.09 2qny h MET 220 CO 0.01 0.00 0.13 0.78 1.06 0.00 0.00 176.91 178.89 2qny h GLY 221 N 2.77 0.40 1.64 8.32 0.00 -1.82 -0.20 103.07 114.19 2qny h GLY 221 Ca 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 2qny h GLY 221 CO 0.00 0.19 -0.12 -0.55 0.00 0.00 0.00 176.54 176.06 2qny h ASP 222 N 0.30 0.42 -0.23 0.19 3.32 -1.83 -1.75 116.42 116.84 2qny h ASP 222 Ca 0.09 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2qny h ASP 222 Cb 0.11 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2qny h ASP 222 CO -0.01 0.57 0.07 0.58 -1.72 0.00 0.00 179.24 178.73 2qny h VAL 223 N 0.41 1.20 -0.80 -1.35 2.07 -1.41 -1.76 116.25 114.60 2qny h VAL 223 Ca 0.08 -0.62 0.04 0.00 0.82 0.00 0.00 66.70 67.02 2qny h VAL 223 Cb 0.45 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 2qny h VAL 223 CO 0.03 0.20 0.50 1.23 0.02 0.00 0.00 177.57 179.55 2qny h GLY 224 N 0.20 1.17 1.03 2.17 0.00 -0.75 -1.78 103.07 105.12 2qny h GLY 224 Ca 0.07 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 2qny h GLY 224 CO -0.00 0.29 0.15 3.21 0.00 0.00 0.00 176.54 180.19 2qny h ARG 225 N 0.96 1.01 -0.74 4.80 3.08 -1.19 -1.81 114.38 120.48 2qny h ARG 225 Ca 0.33 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 2qny h ARG 225 Cb 0.07 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 2qny h ARG 225 CO -0.13 0.92 0.35 0.00 -1.07 0.00 0.00 179.97 180.03 2qny h ARG 226 N 0.93 1.08 -0.35 0.04 3.08 -0.92 -0.35 114.38 117.90 2qny h ARG 226 Ca 0.20 -0.16 -0.12 0.00 0.07 0.00 0.00 59.98 59.97 2qny h ARG 226 Cb 0.37 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2qny h ARG 226 CO 0.00 0.85 -0.26 0.00 -1.07 0.00 0.00 179.97 179.50 2qny h ALA 227 N 1.17 0.90 -0.33 0.04 0.00 -1.16 0.16 119.26 120.04 2qny h ALA 227 Ca 0.25 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2qny h ALA 227 Cb 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2qny h ALA 227 CO -0.03 0.62 -0.20 0.52 0.00 0.00 0.00 179.25 180.16 2qny h MET 228 N 0.61 0.72 -0.48 0.00 2.86 -1.19 -1.73 114.93 115.72 2qny h MET 228 Ca 0.08 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 2qny h MET 228 Cb 0.75 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 2qny h MET 228 CO 0.06 0.94 0.31 -0.44 1.06 0.00 0.00 176.91 178.84 2qny h ASP 229 N 0.49 0.57 -0.82 1.22 3.32 -0.84 -0.65 116.42 119.70 2qny h ASP 229 Ca 0.07 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2qny h ASP 229 Cb 0.75 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 2qny h ASP 229 CO 0.06 0.43 0.48 0.00 -1.72 0.00 0.00 179.24 178.49 2qny h ALA 230 N 1.16 1.30 0.00 3.45 0.00 -0.65 -1.77 119.26 122.74 2qny h ALA 230 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qny h ALA 230 Cb -0.05 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.41 2qny h ALA 230 CO -0.04 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.81 2qny n ALA 231 N -2.41 2.32 -2.18 0.00 0.00 -0.66 -4.62 120.51 112.96 2qny n ALA 231 Ca 0.09 -0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 2qny n ALA 231 Cb 0.07 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.07 2qny n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qny n GLY 232 N 1.08 -0.04 3.52 0.00 0.00 -0.61 -5.02 105.19 104.12 2qny n GLY 232 Ca 0.11 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 2qny n GLY 232 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qny s VAL 233 N -2.65 2.86 0.20 1.61 -7.23 -0.35 -5.03 120.40 109.81 2qny s VAL 233 Ca 0.00 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 58.20 2qny s VAL 233 Cb 0.00 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.45 2qny s VAL 233 CO 0.00 -0.21 0.40 -0.13 -0.31 0.00 0.00 175.10 174.86 2qny s ARG 234 N -3.05 3.55 0.28 4.82 0.52 -1.26 -4.13 118.95 119.69 2qny s ARG 234 Ca 0.26 -0.25 0.03 0.00 -0.52 0.00 0.00 55.73 55.24 2qny s ARG 234 Cb -0.07 -2.82 0.68 0.00 0.52 0.00 0.00 34.95 33.25 2qny s ARG 234 CO 0.14 0.39 1.72 -1.35 0.02 0.00 0.00 175.30 176.22 2qny h PRO 235 N 2.14 0.46 0.00 3.54 0.11 -1.91 -0.26 132.00 136.08 2qny h PRO 235 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2qny h PRO 235 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2qny h PRO 235 CO 0.69 0.30 0.00 -0.40 -0.21 0.00 0.00 178.00 178.38 2qny n ASP 236 N -4.99 0.00 0.05 -2.05 5.68 -1.26 -2.29 116.55 111.69 2qny n ASP 236 Ca 0.21 0.48 0.12 0.00 -0.50 0.00 0.00 54.79 55.09 2qny n ASP 236 Cb 0.59 -0.49 0.07 0.00 -1.14 0.00 0.00 41.12 40.15 2qny n ASP 236 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qny n GLN 237 N -1.49 0.36 -2.04 0.11 6.02 -0.11 -4.72 117.38 115.51 2qny n GLN 237 Ca 0.03 0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.64 2qny n GLN 237 Cb 0.14 -1.67 -0.03 0.00 1.02 0.00 0.00 30.24 29.70 2qny n GLN 237 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2qny s ILE 238 N -3.23 3.24 -0.11 5.09 -1.09 -0.97 -4.79 121.20 119.34 2qny s ILE 238 Ca 0.03 0.71 0.00 0.00 -2.23 0.00 0.00 60.65 59.17 2qny s ILE 238 Cb 0.13 -3.46 -0.25 0.00 -1.58 0.00 0.00 42.46 37.31 2qny s ILE 238 CO 0.77 0.01 0.39 0.47 -1.23 0.00 0.00 174.94 175.35 2qny n ASP 239 N 5.25 1.69 -3.91 3.58 8.00 0.46 -4.70 116.55 126.91 2qny n ASP 239 Ca 0.14 0.23 -0.18 0.00 0.71 0.00 0.00 54.79 55.69 2qny n ASP 239 Cb 0.41 -0.54 -0.16 0.00 -0.02 0.00 0.00 41.12 40.82 2qny n ASP 239 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qny s VAL 240 N -2.56 0.48 -0.22 2.53 1.01 -0.51 -1.66 120.40 119.47 2qny s VAL 240 Ca -0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 2qny s VAL 240 Cb 0.07 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.98 2qny s VAL 240 CO 0.77 0.19 -0.09 0.12 0.00 0.00 0.00 175.10 176.08 2qny s PHE 241 N 0.56 2.93 -0.71 5.22 5.99 0.14 -0.78 117.98 131.33 2qny s PHE 241 Ca -0.07 -1.31 0.04 0.00 0.00 0.00 0.00 56.93 55.59 2qny s PHE 241 Cb -0.10 -2.04 0.17 0.00 0.00 0.00 0.00 43.02 41.05 2qny s PHE 241 CO -0.00 -0.67 0.51 0.08 -0.00 0.00 0.00 175.22 175.13 2qny s VAL 242 N 1.38 3.05 0.58 3.12 1.01 0.77 -1.02 120.40 129.29 2qny s VAL 242 Ca 0.04 -4.14 -0.15 0.00 0.00 0.00 0.00 61.98 57.73 2qny s VAL 242 Cb -0.14 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 2qny s VAL 242 CO -0.07 -0.99 1.03 -2.16 0.00 0.00 0.00 175.10 172.91 2qny s PRO 243 N -1.33 3.49 0.23 2.72 0.04 -1.26 -2.10 135.00 136.79 2qny s PRO 243 Ca 0.24 1.09 -0.31 0.00 0.04 0.00 0.00 61.00 62.06 2qny s PRO 243 Cb -0.07 -2.06 -0.14 0.00 0.04 0.00 0.00 34.50 32.27 2qny s PRO 243 CO -0.15 -0.66 1.35 1.58 0.04 0.00 0.00 177.00 179.16 2qny n HIS 244 N -2.01 1.98 -1.35 0.56 -0.00 0.99 -4.82 115.22 110.58 2qny n HIS 244 Ca 0.08 0.49 -0.36 0.00 -0.00 0.00 0.00 57.72 57.93 2qny n HIS 244 Cb 0.53 -2.42 -0.04 0.00 -0.00 0.00 0.00 29.99 28.06 2qny n HIS 244 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2qny n GLN 245 N 1.88 3.59 -0.04 1.57 1.13 -1.26 -4.51 117.38 119.74 2qny n GLN 245 Ca 0.12 -2.20 -0.15 0.00 -1.94 0.00 0.00 57.00 52.83 2qny n GLN 245 Cb 0.30 -2.68 -0.12 0.00 0.11 0.00 0.00 30.24 27.86 2qny n GLN 245 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 2qny h PHE 246 N 4.69 0.15 -1.86 1.08 3.57 -1.91 -3.35 116.94 119.31 2qny h PHE 246 Ca 0.77 -0.09 0.06 0.00 3.53 0.00 0.00 57.97 62.24 2qny h PHE 246 Cb 0.43 -0.02 -0.22 0.00 2.79 0.00 0.00 35.95 38.94 2qny h PHE 246 CO 1.84 0.93 0.05 1.21 -2.23 0.00 0.00 178.31 180.11 2qny s ASN 247 N -6.25 -0.91 0.40 0.41 3.84 -1.26 -4.78 114.94 106.39 2qny s ASN 247 Ca -0.17 1.38 0.07 0.00 0.21 0.00 0.00 52.86 54.36 2qny s ASN 247 Cb -0.00 1.62 0.83 0.00 -0.55 0.00 0.00 41.25 43.14 2qny s ASN 247 CO 0.72 -0.21 2.01 0.28 -2.79 0.00 0.00 177.10 177.11 2qny h SER 248 N 7.15 0.41 0.08 -4.21 0.02 -1.57 -2.16 113.55 113.27 2qny h SER 248 Ca -0.26 -0.03 -0.20 0.00 -0.84 0.00 0.00 61.79 60.46 2qny h SER 248 Cb 1.18 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2qny h SER 248 CO 0.14 0.37 -0.75 0.03 -1.14 0.00 0.00 176.83 175.48 2qny h ARG 249 N 0.46 0.58 -0.15 3.45 2.47 -1.85 0.14 114.38 119.48 2qny h ARG 249 Ca 0.12 -0.47 0.00 0.00 -1.26 0.00 0.00 59.98 58.37 2qny h ARG 249 Cb 0.08 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 2qny h ARG 249 CO -0.01 1.10 0.10 0.82 0.56 0.00 0.00 179.97 182.53 2qny h ILE 250 N 0.39 1.05 -0.30 2.04 2.04 -1.89 -2.81 117.51 118.03 2qny h ILE 250 Ca -0.04 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 2qny h ILE 250 Cb 1.35 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 2qny h ILE 250 CO 0.14 0.04 -0.15 0.78 0.00 0.00 0.00 178.15 178.96 2qny h ASN 251 N 0.19 0.51 -0.72 1.72 2.35 -1.13 -0.91 115.58 117.60 2qny h ASN 251 Ca 0.05 -0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.68 2qny h ASN 251 Cb -0.01 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.19 2qny h ASN 251 CO -0.01 0.68 0.47 -0.33 -1.65 0.00 0.00 177.43 176.60 2qny h GLU 252 N 0.47 0.93 -0.37 0.81 5.08 -0.70 -0.01 114.58 120.79 2qny h GLU 252 Ca 0.08 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 2qny h GLU 252 Cb 0.54 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2qny h GLU 252 CO 0.03 0.62 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.42 2qny h LEU 253 N 0.96 0.69 -0.18 1.33 3.38 -1.15 -2.86 115.31 117.47 2qny h LEU 253 Ca 0.27 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2qny h LEU 253 Cb -0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2qny h LEU 253 CO -0.07 0.87 0.07 -0.07 0.09 0.00 0.00 178.44 179.33 2qny h LEU 254 N 0.62 0.25 -0.31 1.67 3.38 -0.73 -2.07 115.31 118.12 2qny h LEU 254 Ca 0.10 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 57.97 2qny h LEU 254 Cb 0.64 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.24 2qny h LEU 254 CO 0.05 0.35 -0.30 0.58 0.09 0.00 0.00 178.44 179.20 2qny h VAL 255 N 0.14 0.28 -0.35 1.22 2.07 -0.95 -0.21 116.25 118.45 2qny h VAL 255 Ca 0.06 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.61 2qny h VAL 255 Cb 0.18 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 2qny h VAL 255 CO -0.00 0.00 0.17 0.11 0.02 0.00 0.00 177.57 177.86 2qny h LYS 256 N -0.28 0.34 -0.99 1.57 6.56 -1.48 -2.76 116.57 119.54 2qny h LYS 256 Ca 0.15 -0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.73 2qny h LYS 256 Cb 0.52 -0.08 -0.05 0.00 -0.57 0.00 0.00 32.23 32.05 2qny h LYS 256 CO -0.47 0.23 0.65 -0.97 -2.06 0.00 0.00 179.45 176.83 2qny h ASN 257 N 0.35 1.13 0.97 0.86 -0.73 -0.91 -2.88 115.58 114.37 2qny h ASN 257 Ca 0.15 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.29 2qny h ASN 257 Cb 0.07 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 38.37 2qny h ASN 257 CO -0.11 0.82 0.00 0.18 -0.37 0.00 0.00 177.43 177.95 2qny n LEU 258 N -4.40 0.69 -3.80 0.34 4.77 -0.13 -4.94 117.00 109.53 2qny n LEU 258 Ca 0.12 0.63 -0.26 0.00 -0.03 0.00 0.00 56.01 56.46 2qny n LEU 258 Cb 0.01 -0.49 0.01 0.00 -2.33 0.00 0.00 43.42 40.62 2qny n LEU 258 CO 0.37 -0.42 -0.14 0.00 -1.33 0.00 0.00 177.39 175.86 2qny n GLN 259 N -2.22 -3.03 -1.98 3.23 6.02 -1.09 -4.92 117.38 113.40 2qny n GLN 259 Ca 0.03 0.48 -0.29 0.00 -0.01 0.00 0.00 57.00 57.21 2qny n GLN 259 Cb 0.30 -4.57 0.15 0.00 1.02 0.00 0.00 30.24 27.13 2qny n GLN 259 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2qny s LEU 260 N -6.73 2.67 0.61 1.08 1.43 -1.26 -4.59 118.68 111.90 2qny s LEU 260 Ca 0.15 0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 53.46 2qny s LEU 260 Cb -0.05 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 2qny s LEU 260 CO 0.86 -2.37 1.14 0.54 0.23 0.00 0.00 176.35 176.74 2qny n ARG 261 N -3.53 1.06 0.08 1.70 1.74 -1.26 -4.89 116.66 111.56 2qny n ARG 261 Ca 0.13 0.41 0.14 0.00 -0.77 0.00 0.00 57.85 57.76 2qny n ARG 261 Cb 0.60 -2.35 0.64 0.00 -1.02 0.00 0.00 32.46 30.32 2qny n ARG 261 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2qny h PRO 262 N 0.60 0.08 -0.57 5.56 0.11 -1.99 -2.19 132.00 133.59 2qny h PRO 262 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2qny h PRO 262 Cb 1.35 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2qny h PRO 262 CO 0.52 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 2qny n ASP 263 N -4.45 3.17 -4.76 -2.05 5.75 -1.26 -4.93 116.55 108.01 2qny n ASP 263 Ca 0.05 -2.08 -0.41 0.00 -0.01 0.00 0.00 54.79 52.34 2qny n ASP 263 Cb 0.38 -0.40 -0.02 0.00 -1.03 0.00 0.00 41.12 40.04 2qny n ASP 263 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qny s ALA 263 N -1.38 3.55 -0.13 2.12 0.00 -0.83 -4.98 121.76 120.12 2qny s ALA 263 Ca 0.38 1.33 -0.21 0.00 0.00 0.00 0.00 51.96 53.46 2qny s ALA 263 Cb 0.21 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 2qny s ALA 263 CO 0.24 -0.74 0.60 0.08 0.00 0.00 0.00 175.76 175.94 2qny s VAL 264 N -0.73 5.09 -0.18 0.00 1.01 -0.66 -4.95 120.40 119.98 2qny s VAL 264 Ca 0.53 1.18 -0.02 0.00 0.00 0.00 0.00 61.98 63.67 2qny s VAL 264 Cb -0.41 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.03 2qny s VAL 264 CO 0.51 0.23 -0.09 -0.69 0.00 0.00 0.00 175.10 175.07 2qny s VAL 265 N 1.09 3.21 0.19 2.92 1.01 -1.26 0.24 120.40 127.80 2qny s VAL 265 Ca 0.31 -0.57 -0.33 0.00 0.00 0.00 0.00 61.98 61.38 2qny s VAL 265 Cb -0.16 -2.41 -0.13 0.00 0.00 0.00 0.00 36.38 33.68 2qny s VAL 265 CO 0.13 0.48 1.66 0.00 0.00 0.00 0.00 175.10 177.37 2qny n ALA 266 N 4.20 2.20 -2.29 5.51 0.00 -0.18 -4.91 120.51 125.04 2qny n ALA 266 Ca -0.18 0.42 0.04 0.00 0.00 0.00 0.00 53.44 53.71 2qny n ALA 266 Cb 0.52 -2.45 0.07 0.00 0.00 0.00 0.00 19.45 17.58 2qny n ALA 266 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2qny n ASN 267 N 3.73 1.29 0.23 0.00 5.15 -1.26 -4.84 115.26 119.57 2qny n ASN 267 Ca 0.16 -2.50 0.16 0.00 -0.60 0.00 0.00 54.58 51.80 2qny n ASN 267 Cb 0.32 -0.37 0.81 0.00 -0.53 0.00 0.00 39.78 40.01 2qny n ASN 267 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 2qny h ASP 268 N 1.12 0.00 -0.10 1.20 3.58 -1.90 -2.56 116.42 117.76 2qny h ASP 268 Ca -0.16 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.32 2qny h ASP 268 Cb 1.64 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.68 2qny h ASP 268 CO 0.09 0.00 0.12 -0.29 -2.88 0.00 0.00 179.24 176.28 2qny h ILE 269 N 0.00 0.45 -0.91 2.25 2.10 -1.89 -1.88 117.51 117.63 2qny h ILE 269 Ca 0.00 0.00 0.06 0.00 1.08 0.00 0.00 64.86 66.00 2qny h ILE 269 Cb 0.10 0.90 -0.06 0.00 -1.09 0.00 0.00 36.82 36.68 2qny h ILE 269 CO 0.00 0.00 0.59 -0.08 -1.08 0.00 0.00 178.15 177.58 2qny h GLU 270 N 0.00 1.03 0.00 2.19 4.81 -1.54 -1.22 114.58 119.85 2qny h GLU 270 Ca 0.05 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2qny h GLU 270 Cb 0.28 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2qny h GLU 270 CO -0.00 0.68 -0.03 0.72 -0.73 0.00 0.00 179.01 179.65 2qny n HIS 271 N -4.48 0.00 0.00 0.92 8.25 -1.09 -0.11 115.22 118.71 2qny n HIS 271 Ca 0.13 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 2qny n HIS 271 Cb 0.18 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.25 2qny n HIS 271 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2qny n THR 272 N -0.37 0.00 -4.76 1.59 -1.04 -0.73 -4.23 114.28 104.75 2qny n THR 272 Ca 0.01 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2qny n THR 272 Cb 0.39 0.42 0.00 0.00 -1.82 0.00 0.00 70.33 69.32 2qny n THR 272 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qny n GLY 273 N 1.85 0.24 3.44 3.41 0.00 -0.46 -4.45 105.19 109.22 2qny n GLY 273 Ca 0.00 -0.96 -0.44 0.00 0.00 0.00 0.00 46.02 44.63 2qny n GLY 273 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qny s ASN 274 N -4.00 6.21 -0.42 1.61 3.84 -0.33 -4.45 114.94 117.41 2qny s ASN 274 Ca 0.00 -0.93 0.05 0.00 0.21 0.00 0.00 52.86 52.19 2qny s ASN 274 Cb 0.00 -2.26 0.61 0.00 -0.55 0.00 0.00 41.25 39.05 2qny s ASN 274 CO 0.00 -0.79 1.79 0.35 -2.79 0.00 0.00 177.10 175.66 2qny n THR 275 N 5.52 3.04 0.00 -5.21 -2.24 -1.26 -1.67 114.28 112.47 2qny n THR 275 Ca -0.07 -2.23 0.00 0.00 -2.27 0.00 0.00 64.05 59.47 2qny n THR 275 Cb 0.45 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 2qny n THR 275 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2qny n SER 276 N -1.13 0.00 0.28 3.42 2.88 -1.26 -1.65 113.62 116.16 2qny n SER 276 Ca 0.53 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 58.22 2qny n SER 276 Cb 1.45 0.00 0.83 0.00 -0.75 0.00 0.00 64.21 65.74 2qny n SER 276 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qny h ALA 277 N -0.15 1.17 0.00 -1.46 0.00 -1.82 -2.00 119.26 115.00 2qny h ALA 277 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qny h ALA 277 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2qny h ALA 277 CO 0.00 0.08 -0.24 0.00 0.00 0.00 0.00 179.25 179.10 2qny n ALA 278 N -2.20 2.84 -0.04 0.00 0.00 -0.66 -4.30 120.51 116.16 2qny n ALA 278 Ca -0.02 -0.20 -0.11 0.00 0.00 0.00 0.00 53.44 53.11 2qny n ALA 278 Cb 0.21 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.29 2qny n ALA 278 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qny h SER 279 N 0.00 0.20 0.32 0.00 0.87 -1.40 -2.35 113.55 111.18 2qny h SER 279 Ca 0.00 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.37 2qny h SER 279 Cb 0.53 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2qny h SER 279 CO 0.00 0.32 -0.15 0.40 -0.53 0.00 0.00 176.83 176.87 2qny h ILE 280 N 0.07 0.71 -0.63 2.23 2.04 -1.80 -0.10 117.51 120.04 2qny h ILE 280 Ca 0.05 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 2qny h ILE 280 Cb 0.19 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2qny h ILE 280 CO -0.00 0.08 0.32 1.55 0.00 0.00 0.00 178.15 180.10 2qny h PRO 281 N -0.64 0.87 -0.73 2.37 0.13 -1.87 0.09 132.00 132.22 2qny h PRO 281 Ca -0.04 -0.10 0.04 0.00 -0.87 0.00 0.00 66.00 65.03 2qny h PRO 281 Cb 0.46 -0.17 -0.05 0.00 0.13 0.00 0.00 31.00 31.36 2qny h PRO 281 CO 0.07 0.66 0.44 -0.07 -0.23 0.00 0.00 178.00 178.87 2qny h LEU 282 N 0.88 0.70 -0.96 1.56 3.38 -1.36 -0.68 115.31 118.82 2qny h LEU 282 Ca 0.22 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 2qny h LEU 282 Cb 0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2qny h LEU 282 CO -0.03 0.47 -0.17 0.00 0.09 0.00 0.00 178.44 178.79 2qny h ALA 283 N 1.33 1.13 -0.30 1.53 0.00 -0.21 -1.02 119.26 121.72 2qny h ALA 283 Ca 0.30 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2qny h ALA 283 Cb 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2qny h ALA 283 CO -0.14 0.54 0.03 0.52 0.00 0.00 0.00 179.25 180.20 2qny h MET 284 N 0.50 0.52 -0.78 0.00 2.86 -0.68 -2.49 114.93 114.86 2qny h MET 284 Ca 0.08 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 2qny h MET 284 Cb 0.59 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.16 2qny h MET 284 CO 0.04 0.63 0.35 0.00 1.06 0.00 0.00 176.91 179.00 2qny h ALA 285 N 0.86 1.00 -0.36 6.32 0.00 -0.95 -2.08 119.26 124.06 2qny h ALA 285 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2qny h ALA 285 Cb 0.38 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2qny h ALA 285 CO 0.01 0.59 0.23 1.49 0.00 0.00 0.00 179.25 181.57 2qny h GLU 286 N 1.11 0.47 -0.78 0.00 4.22 -1.15 0.12 114.58 118.57 2qny h GLU 286 Ca 0.26 -0.03 -0.04 0.00 0.08 0.00 0.00 59.36 59.63 2qny h GLU 286 Cb 0.15 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2qny h GLU 286 CO -0.03 0.32 0.32 -0.07 -2.18 0.00 0.00 179.01 177.37 2qny h LEU 287 N 0.48 1.06 -0.55 1.64 3.38 -1.27 -1.12 115.31 118.92 2qny h LEU 287 Ca 0.13 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 2qny h LEU 287 Cb -0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 2qny h LEU 287 CO -0.03 0.93 -0.42 -0.07 0.09 0.00 0.00 178.44 178.94 2qny h LEU 288 N 1.13 0.75 -0.54 1.67 3.38 -1.20 -1.23 115.31 119.26 2qny h LEU 288 Ca 0.26 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2qny h LEU 288 Cb 0.19 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2qny h LEU 288 CO -0.02 1.07 0.07 0.74 0.09 0.00 0.00 178.44 180.39 2qny h THR 289 N 0.57 1.26 0.00 0.22 2.02 -0.54 -2.49 112.91 113.94 2qny h THR 289 Ca 0.04 -0.99 -0.09 0.00 0.77 0.00 0.00 66.41 66.15 2qny h THR 289 Cb 0.96 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 2qny h THR 289 CO 0.09 0.36 -0.43 0.71 0.37 0.00 0.00 175.52 176.61 2qny h THR 290 N 0.80 0.85 0.00 3.16 1.35 -1.26 -3.47 112.91 114.34 2qny h THR 290 Ca 0.16 -1.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.17 2qny h THR 290 Cb 0.43 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 2qny h THR 290 CO 0.01 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.32 2qny n GLY 291 N 0.72 0.74 0.31 5.82 0.00 -0.56 -4.95 105.19 107.26 2qny n GLY 291 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2qny n GLY 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qny h ALA 292 N 0.00 1.43 -3.35 4.61 0.00 -1.57 -3.41 119.26 116.98 2qny h ALA 292 Ca 0.00 -0.13 -0.65 0.00 0.00 0.00 0.00 54.91 54.13 2qny h ALA 292 Cb 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 17.79 17.46 2qny h ALA 292 CO 0.00 0.44 -0.65 0.00 0.00 0.00 0.00 179.25 179.03 2qny s ALA 293 N -5.36 3.30 0.17 0.00 0.00 -0.82 -4.96 121.76 114.10 2qny s ALA 293 Ca -0.09 -1.06 0.09 0.00 0.00 0.00 0.00 51.96 50.90 2qny s ALA 293 Cb 0.16 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 2qny s ALA 293 CO 0.77 0.69 -0.14 0.15 0.00 0.00 0.00 175.76 177.23 2qny s LYS 294 N -2.10 1.89 0.32 0.00 -0.14 -1.26 -4.29 119.74 114.16 2qny s LYS 294 Ca 0.24 -1.30 -0.29 0.00 -1.36 0.00 0.00 55.97 53.26 2qny s LYS 294 Cb -0.12 -2.09 -0.12 0.00 -1.68 0.00 0.00 37.83 33.83 2qny s LYS 294 CO 0.16 0.44 1.46 -2.30 -0.76 0.00 0.00 175.35 174.35 2qny n PRO 295 N 0.26 2.44 0.00 -1.68 -0.02 -1.26 -2.12 135.00 132.62 2qny n PRO 295 Ca -0.12 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2qny n PRO 295 Cb 0.55 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2qny n PRO 295 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qny n GLY 296 N 1.36 2.77 3.71 -1.23 0.00 -0.12 -4.93 105.19 106.75 2qny n GLY 296 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2qny n GLY 296 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qny n ASP 297 N 0.00 2.71 -4.64 1.61 8.00 -0.90 -4.48 116.55 118.85 2qny n ASP 297 Ca 0.00 1.11 -0.42 0.00 0.71 0.00 0.00 54.79 56.18 2qny n ASP 297 Cb 0.00 -1.52 -0.04 0.00 -0.02 0.00 0.00 41.12 39.54 2qny n ASP 297 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qny s LEU 298 N -1.93 4.06 -0.01 0.64 2.96 -1.26 -0.30 118.68 122.83 2qny s LEU 298 Ca 0.61 0.99 0.08 0.00 -0.22 0.00 0.00 54.13 55.59 2qny s LEU 298 Cb -0.49 -3.29 -0.02 0.00 0.50 0.00 0.00 46.19 42.88 2qny s LEU 298 CO 0.58 -0.65 -0.24 0.00 -1.32 0.00 0.00 176.35 174.72 2qny s ALA 299 N 3.11 2.28 -0.28 5.97 0.00 0.12 -0.41 121.76 132.55 2qny s ALA 299 Ca 0.38 -1.13 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 2qny s ALA 299 Cb -0.14 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 2qny s ALA 299 CO 0.10 0.54 0.10 -1.17 0.00 0.00 0.00 175.76 175.33 2qny s LEU 300 N -0.79 3.76 -0.19 0.00 2.96 0.04 -0.63 118.68 123.81 2qny s LEU 300 Ca 0.11 -0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 53.55 2qny s LEU 300 Cb -0.10 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 2qny s LEU 300 CO 0.00 -0.12 0.07 -0.76 -1.32 0.00 0.00 176.35 174.22 2qny s LEU 301 N 1.60 3.76 -0.20 -0.68 1.43 -0.61 -0.17 118.68 123.81 2qny s LEU 301 Ca 0.05 0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 53.18 2qny s LEU 301 Cb -0.16 -1.96 0.05 0.00 0.03 0.00 0.00 46.19 44.15 2qny s LEU 301 CO 0.05 0.14 -0.05 -0.63 0.23 0.00 0.00 176.35 176.08 2qny s ILE 302 N 0.60 1.29 -0.18 -0.59 1.01 -0.89 -2.02 121.20 120.42 2qny s ILE 302 Ca 0.03 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.68 2qny s ILE 302 Cb -0.13 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.77 2qny s ILE 302 CO 0.01 0.01 0.12 -0.83 0.00 0.00 0.00 174.94 174.25 2qny s GLY 303 N 1.53 2.05 -0.04 6.18 0.00 0.23 -0.00 107.32 117.26 2qny s GLY 303 Ca -0.02 -0.69 -0.11 0.00 0.00 0.00 0.00 44.72 43.90 2qny s GLY 303 CO -0.07 0.00 0.25 -2.52 0.00 0.00 0.00 173.10 170.76 2qny s TYR 304 N 0.03 -0.16 -0.50 1.90 -0.85 -1.26 -1.27 117.35 115.25 2qny s TYR 304 Ca 0.09 0.31 0.00 0.00 -0.52 0.00 0.00 57.07 56.95 2qny s TYR 304 Cb -0.11 0.06 0.00 0.00 0.38 0.00 0.00 41.96 42.28 2qny s TYR 304 CO -0.00 -0.27 0.00 0.41 -1.52 0.00 0.00 175.55 174.16 2qny n GLY 305 N 1.92 -0.58 3.53 5.49 0.00 -0.86 -4.52 105.19 110.16 2qny n GLY 305 Ca -0.19 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 2qny n GLY 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qny n ALA 306 N 0.00 -1.50 0.00 4.61 0.00 -1.26 -1.11 120.51 121.25 2qny n ALA 306 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2qny n ALA 306 Cb 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.47 2qny n ALA 306 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qny n GLY 307 N 1.09 2.65 2.98 0.00 0.00 -1.26 -2.48 105.19 108.17 2qny n GLY 307 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 2qny n GLY 307 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qny n LEU 308 N 0.00 -5.25 -3.84 0.99 4.77 -1.03 -4.03 117.00 108.61 2qny n LEU 308 Ca 0.00 1.03 -0.12 0.00 -0.03 0.00 0.00 56.01 56.88 2qny n LEU 308 Cb 0.00 -2.23 -0.14 0.00 -2.33 0.00 0.00 43.42 38.72 2qny n LEU 308 CO 0.00 -2.50 -0.31 -0.55 -1.33 0.00 0.00 177.39 172.69 2qny s SER 309 N -0.91 -0.03 0.03 -1.43 0.15 -0.27 -0.55 113.70 110.69 2qny s SER 309 Ca -0.04 0.09 0.04 0.00 0.70 0.00 0.00 55.95 56.74 2qny s SER 309 Cb 0.00 0.07 -0.02 0.00 -1.71 0.00 0.00 66.02 64.37 2qny s SER 309 CO 0.30 -0.03 -0.11 -0.72 1.20 0.00 0.00 173.24 173.88 2qny s TYR 310 N 0.18 0.96 -0.13 3.44 -0.85 0.29 -2.04 117.35 119.21 2qny s TYR 310 Ca -0.01 -0.31 -0.08 0.00 -0.52 0.00 0.00 57.07 56.15 2qny s TYR 310 Cb -0.02 -0.58 0.05 0.00 0.38 0.00 0.00 41.96 41.78 2qny s TYR 310 CO -0.01 -0.00 0.32 0.00 -1.52 0.00 0.00 175.55 174.34 2qny s ALA 311 N -0.75 -0.77 0.04 9.51 0.00 -0.40 -0.94 121.76 128.45 2qny s ALA 311 Ca -0.00 1.17 -0.05 0.00 0.00 0.00 0.00 51.96 53.08 2qny s ALA 311 Cb -0.07 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 2qny s ALA 311 CO 0.01 -0.21 0.08 0.00 0.00 0.00 0.00 175.76 175.64 2qny s ALA 312 N 1.15 -0.03 -0.06 0.00 0.00 0.18 -0.60 121.76 122.40 2qny s ALA 312 Ca -0.08 -0.59 -0.29 0.00 0.00 0.00 0.00 51.96 51.00 2qny s ALA 312 Cb -0.08 0.25 0.10 0.00 0.00 0.00 0.00 23.12 23.39 2qny s ALA 312 CO -0.09 -0.32 0.88 1.14 0.00 0.00 0.00 175.76 177.38 2qny s GLN 313 N -2.64 0.80 -0.08 0.00 0.00 -0.86 -0.82 119.66 116.06 2qny s GLN 313 Ca -0.05 -0.06 -0.18 0.00 -0.00 0.00 0.00 55.36 55.07 2qny s GLN 313 Cb -0.01 0.37 -0.05 0.00 0.00 0.00 0.00 33.01 33.33 2qny s GLN 313 CO -0.05 -0.30 0.50 0.08 0.00 0.00 0.00 175.29 175.52 2qny s VAL 314 N -2.10 5.10 0.18 3.63 1.01 -1.26 -1.58 120.40 125.39 2qny s VAL 314 Ca -0.00 1.01 0.03 0.00 0.00 0.00 0.00 61.98 63.01 2qny s VAL 314 Cb -0.01 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 2qny s VAL 314 CO -0.02 0.38 -0.02 0.68 0.00 0.00 0.00 175.10 176.12 2qny s VAL 315 N 0.21 0.84 -0.16 2.92 -7.23 0.19 0.22 120.40 117.39 2qny s VAL 315 Ca 0.27 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.31 2qny s VAL 315 Cb -0.16 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.62 2qny s VAL 315 CO 0.12 -0.50 0.24 -0.13 -0.31 0.00 0.00 175.10 174.53 2qny s ARG 316 N -3.87 4.16 0.43 4.82 0.52 -0.75 0.14 118.95 124.40 2qny s ARG 316 Ca 0.23 0.00 -0.25 0.00 -0.52 0.00 0.00 55.73 55.19 2qny s ARG 316 Cb 0.05 -3.40 -0.09 0.00 0.52 0.00 0.00 34.95 32.04 2qny s ARG 316 CO 0.04 0.32 1.34 -1.33 0.02 0.00 0.00 175.30 175.69 2qny n MET 317 N 3.35 2.06 -0.35 3.54 2.81 0.59 -4.55 117.12 124.57 2qny n MET 317 Ca -0.14 0.73 0.00 0.00 -1.81 0.00 0.00 57.70 56.49 2qny n MET 317 Cb 0.52 -2.49 0.00 0.00 -0.71 0.00 0.00 33.22 30.55 2qny n MET 317 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2qny n PRO 317 N -0.05 1.17 -0.32 0.03 -0.04 -1.26 -0.95 135.00 133.58 2qny n PRO 317 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2qny n PRO 317 Cb 0.40 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 2qny n PRO 317 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09