#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkq h ARG 3 N 0.00 0.86 -0.66 0.54 3.08 -1.92 -3.06 114.38 113.22 1xkq h ARG 3 Ca 0.00 -0.05 -0.48 0.00 0.07 0.00 0.00 59.98 59.52 1xkq h ARG 3 Cb 0.00 -0.19 -0.35 0.00 0.08 0.00 0.00 29.97 29.51 1xkq h ARG 3 CO 0.00 0.57 -0.60 1.19 -1.07 0.00 0.00 179.97 180.06 1xkq n PHE 4 N -4.67 2.37 -2.02 3.04 3.72 -0.49 -5.04 117.46 114.38 1xkq n PHE 4 Ca 0.11 -2.17 -0.42 0.00 -0.05 0.00 0.00 57.45 54.92 1xkq n PHE 4 Cb 0.17 -0.43 -0.03 0.00 -0.94 0.00 0.00 39.48 38.24 1xkq n PHE 4 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1xkq s SER 5 N -3.35 6.67 -1.06 4.37 0.01 -1.16 -2.67 113.70 116.51 1xkq s SER 5 Ca 0.50 2.57 -0.01 0.00 1.31 0.00 0.00 55.95 60.32 1xkq s SER 5 Cb 0.41 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 64.04 1xkq s SER 5 CO 0.02 -0.74 0.12 0.59 0.41 0.00 0.00 173.24 173.64 1xkq n ASN 6 N 3.39 -4.15 -4.15 2.44 3.02 -1.18 -4.96 115.26 109.66 1xkq n ASN 6 Ca 0.11 -0.07 -0.29 0.00 -0.03 0.00 0.00 54.58 54.30 1xkq n ASN 6 Cb 0.40 -3.24 -0.17 0.00 -0.61 0.00 0.00 39.78 36.16 1xkq n ASN 6 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1xkq s LYS 7 N -4.84 2.53 -0.25 3.52 -0.14 -1.09 -4.98 119.74 114.49 1xkq s LYS 7 Ca 0.06 -0.71 -0.14 0.00 -1.36 0.00 0.00 55.97 53.82 1xkq s LYS 7 Cb -0.03 -1.96 -0.04 0.00 -1.68 0.00 0.00 37.83 34.12 1xkq s LYS 7 CO 0.08 0.13 0.32 0.95 -0.76 0.00 0.00 175.35 176.07 1xkq s THR 8 N 0.44 5.23 -0.14 2.17 -4.23 -1.26 0.06 115.64 117.91 1xkq s THR 8 Ca -0.17 0.48 0.02 0.00 -1.18 0.00 0.00 61.69 60.85 1xkq s THR 8 Cb -0.17 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 70.03 1xkq s THR 8 CO 0.07 0.22 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.46 1xkq s VAL 9 N 1.72 2.12 -0.22 2.29 1.01 0.14 -1.02 120.40 126.44 1xkq s VAL 9 Ca 0.14 -0.96 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 1xkq s VAL 9 Cb -0.15 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1xkq s VAL 9 CO 0.09 0.55 0.30 -0.63 0.00 0.00 0.00 175.10 175.41 1xkq s ILE 10 N 0.76 5.26 -0.36 2.22 1.01 -0.20 -1.15 121.20 128.74 1xkq s ILE 10 Ca -0.08 0.48 0.01 0.00 0.00 0.00 0.00 60.65 61.06 1xkq s ILE 10 Cb -0.16 -3.63 0.10 0.00 0.01 0.00 0.00 42.46 38.78 1xkq s ILE 10 CO -0.01 0.28 0.09 -0.63 0.00 0.00 0.00 174.94 174.68 1xkq s ILE 11 N 1.29 2.67 0.62 2.92 -1.09 -0.45 -1.01 121.20 126.15 1xkq s ILE 11 Ca 0.14 -2.15 -0.16 0.00 -2.23 0.00 0.00 60.65 56.25 1xkq s ILE 11 Cb -0.14 -2.87 -0.02 0.00 -1.58 0.00 0.00 42.46 37.84 1xkq s ILE 11 CO 0.07 -0.57 1.08 0.42 -1.23 0.00 0.00 174.94 174.71 1xkq s THR 12 N 1.02 3.56 -1.44 2.92 -4.23 -0.91 -3.49 115.64 113.06 1xkq s THR 12 Ca 0.08 0.74 -0.08 0.00 -1.18 0.00 0.00 61.69 61.25 1xkq s THR 12 Cb -0.20 -3.27 0.02 0.00 1.34 0.00 0.00 72.50 70.39 1xkq s THR 12 CO -0.06 -0.43 0.96 0.61 -0.54 0.00 0.00 174.62 175.15 1xkq n GLY 13 N -0.75 -0.53 1.40 3.99 0.00 -1.19 -3.42 105.19 104.68 1xkq n GLY 13 Ca 0.09 0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.40 1xkq n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xkq n SER 14 N -2.82 4.12 -0.56 1.61 3.41 -0.79 -3.51 113.62 115.09 1xkq n SER 14 Ca -0.03 -2.37 0.12 0.00 -0.26 0.00 0.00 58.87 56.34 1xkq n SER 14 Cb 0.58 -0.53 0.43 0.00 -0.26 0.00 0.00 64.21 64.42 1xkq n SER 14 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xkq n SER 15 N 0.95 1.70 -3.65 4.04 3.41 -1.22 -3.56 113.62 115.29 1xkq n SER 15 Ca 0.22 -1.63 -0.02 0.00 -0.26 0.00 0.00 58.87 57.18 1xkq n SER 15 Cb 0.77 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.65 1xkq n SER 15 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1xkq s ASN 16 N -1.77 -0.14 0.61 4.04 2.47 -1.26 -4.27 114.94 114.62 1xkq s ASN 16 Ca 0.35 -0.19 0.00 0.00 0.42 0.00 0.00 52.86 53.44 1xkq s ASN 16 Cb 0.19 0.29 0.00 0.00 -1.45 0.00 0.00 41.25 40.28 1xkq s ASN 16 CO 0.30 -0.52 0.00 0.61 -3.72 0.00 0.00 177.10 173.77 1xkq n GLY 17 N -0.41 2.49 0.33 1.21 0.00 -1.26 -2.36 105.19 105.19 1xkq n GLY 17 Ca -0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 1xkq n GLY 17 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xkq h ILE 18 N 0.00 1.22 -0.79 -0.61 2.04 -1.88 -2.68 117.51 114.81 1xkq h ILE 18 Ca 0.00 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 1xkq h ILE 18 Cb 0.00 -0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 35.99 1xkq h ILE 18 CO 0.00 0.21 0.39 1.23 0.00 0.00 0.00 178.15 179.99 1xkq h GLY 19 N 1.18 1.19 0.91 5.37 0.00 -1.57 -0.77 103.07 109.38 1xkq h GLY 19 Ca 0.32 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1xkq h GLY 19 CO -0.07 0.54 -0.16 -0.09 0.00 0.00 0.00 176.54 176.77 1xkq h ARG 20 N 1.11 -0.42 -0.08 4.80 2.43 -1.14 -1.68 114.38 119.40 1xkq h ARG 20 Ca 0.27 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.41 1xkq h ARG 20 Cb 0.08 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1xkq h ARG 20 CO -0.04 -0.22 -0.25 1.79 -1.51 0.00 0.00 179.97 179.75 1xkq h THR 21 N -0.53 1.21 -0.32 0.20 1.35 -1.41 -1.99 112.91 111.42 1xkq h THR 21 Ca -0.04 -1.00 -0.05 0.00 -0.55 0.00 0.00 66.41 64.76 1xkq h THR 21 Cb 0.40 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 1xkq h THR 21 CO 0.07 0.30 -0.01 0.74 -0.25 0.00 0.00 175.52 176.37 1xkq h THR 22 N 0.12 1.26 -0.59 6.82 2.02 -1.00 -1.71 112.91 119.84 1xkq h THR 22 Ca 0.02 -0.98 -0.06 0.00 0.77 0.00 0.00 66.41 66.16 1xkq h THR 22 Cb 0.51 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 1xkq h THR 22 CO 0.04 0.32 0.14 0.00 0.37 0.00 0.00 175.52 176.38 1xkq h ALA 23 N 0.84 1.13 -0.54 6.16 0.00 -1.06 -1.53 119.26 124.26 1xkq h ALA 23 Ca 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1xkq h ALA 23 Cb 0.46 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1xkq h ALA 23 CO 0.02 0.58 0.21 0.82 0.00 0.00 0.00 179.25 180.88 1xkq h ILE 24 N 0.88 1.22 -0.25 0.00 2.04 -1.17 -0.38 117.51 119.86 1xkq h ILE 24 Ca 0.19 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.29 1xkq h ILE 24 Cb 0.32 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1xkq h ILE 24 CO -0.00 0.27 -0.01 -0.07 0.00 0.00 0.00 178.15 178.34 1xkq h LEU 25 N 0.74 0.45 -0.77 1.44 3.38 -1.02 -1.15 115.31 118.38 1xkq h LEU 25 Ca 0.18 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 57.89 1xkq h LEU 25 Cb 0.22 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 1xkq h LEU 25 CO -0.01 0.66 0.45 -0.26 0.09 0.00 0.00 178.44 179.37 1xkq h PHE 26 N 0.22 0.83 0.40 1.13 0.04 -1.13 0.35 116.94 118.78 1xkq h PHE 26 Ca 0.07 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 1xkq h PHE 26 Cb 0.44 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.33 1xkq h PHE 26 CO 0.04 0.40 -0.21 0.00 -0.60 0.00 0.00 178.31 177.94 1xkq h ALA 27 N 1.39 -0.56 -0.18 2.45 0.00 -0.85 -1.48 119.26 120.02 1xkq h ALA 27 Ca 0.34 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1xkq h ALA 27 Cb 0.21 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1xkq h ALA 27 CO -0.19 -0.82 0.18 1.96 0.00 0.00 0.00 179.25 180.39 1xkq h GLN 28 N -0.57 0.00 -0.02 0.00 4.20 -0.66 0.30 115.11 118.37 1xkq h GLN 28 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1xkq h GLN 28 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1xkq h GLN 28 CO 0.07 0.00 0.00 0.39 -0.67 0.00 0.00 178.83 178.62 1xkq n GLU 29 N -3.93 1.07 -0.84 1.46 -0.58 0.06 -4.51 120.64 113.37 1xkq n GLU 29 Ca 0.02 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1xkq n GLU 29 Cb 0.31 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 30.01 1xkq n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xkq n GLY 30 N 0.70 0.49 3.95 0.62 0.00 0.11 -1.40 105.19 109.65 1xkq n GLY 30 Ca 0.08 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 1xkq n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkq s ALA 31 N -2.00 3.77 -0.05 4.61 0.00 -0.81 -3.13 121.76 124.16 1xkq s ALA 31 Ca 0.00 -1.00 -0.26 0.00 0.00 0.00 0.00 51.96 50.71 1xkq s ALA 31 Cb 0.00 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 1xkq s ALA 31 CO 0.00 0.08 0.80 -0.80 0.00 0.00 0.00 175.76 175.84 1xkq s ASN 32 N -3.96 7.12 -0.05 0.00 0.02 0.11 -4.52 114.94 113.66 1xkq s ASN 32 Ca 0.38 1.35 0.04 0.00 -1.02 0.00 0.00 52.86 53.61 1xkq s ASN 32 Cb -0.09 -2.47 -0.00 0.00 0.02 0.00 0.00 41.25 38.71 1xkq s ASN 32 CO 0.33 -0.17 -0.17 -0.69 0.02 0.00 0.00 177.10 176.43 1xkq s VAL 33 N 0.89 1.40 -0.33 1.60 1.01 -0.08 0.25 120.40 125.13 1xkq s VAL 33 Ca 0.42 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 1xkq s VAL 33 Cb -0.19 -1.21 0.04 0.00 0.00 0.00 0.00 36.38 35.02 1xkq s VAL 33 CO 0.21 0.41 0.10 -0.89 0.00 0.00 0.00 175.10 174.93 1xkq s THR 34 N 0.11 3.82 -0.02 3.92 2.01 -0.30 -0.73 115.64 124.45 1xkq s THR 34 Ca -0.05 -1.08 -0.03 0.00 0.31 0.00 0.00 61.69 60.85 1xkq s THR 34 Cb -0.12 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1xkq s THR 34 CO 0.02 -0.15 0.15 0.27 -0.69 0.00 0.00 174.62 174.22 1xkq s ILE 35 N 1.42 5.25 0.08 1.82 -4.36 -0.27 -1.35 121.20 123.79 1xkq s ILE 35 Ca -0.01 -0.19 -0.18 0.00 -0.26 0.00 0.00 60.65 60.01 1xkq s ILE 35 Cb -0.19 -3.42 0.04 0.00 1.25 0.00 0.00 42.46 40.13 1xkq s ILE 35 CO 0.03 0.36 0.43 0.28 0.24 0.00 0.00 174.94 176.28 1xkq s THR 36 N -1.26 0.06 -0.28 8.37 -1.32 -1.24 -1.07 115.64 118.89 1xkq s THR 36 Ca 0.25 -0.46 0.00 0.00 -1.21 0.00 0.00 61.69 60.27 1xkq s THR 36 Cb -0.12 -1.04 0.00 0.00 -1.51 0.00 0.00 72.50 69.83 1xkq s THR 36 CO 0.16 -0.25 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 1xkq n GLY 37 N 0.19 -1.23 0.13 6.08 0.00 -1.13 -1.89 105.19 107.34 1xkq n GLY 37 Ca -0.17 -0.88 -0.17 0.00 0.00 0.00 0.00 46.02 44.79 1xkq n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xkq n ARG 38 N -0.02 0.66 -2.46 1.61 1.74 -1.25 -0.72 116.66 116.23 1xkq n ARG 38 Ca 0.00 0.14 -0.42 0.00 -0.77 0.00 0.00 57.85 56.80 1xkq n ARG 38 Cb 0.00 -1.53 -0.02 0.00 -1.02 0.00 0.00 32.46 29.88 1xkq n ARG 38 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xkq s SER 39 N -6.45 6.36 0.26 0.55 0.15 -1.26 -4.81 113.70 108.50 1xkq s SER 39 Ca -0.32 0.47 -0.04 0.00 0.70 0.00 0.00 55.95 56.77 1xkq s SER 39 Cb 0.09 -2.55 0.36 0.00 -1.71 0.00 0.00 66.02 62.21 1xkq s SER 39 CO 0.63 -1.48 1.90 0.28 1.20 0.00 0.00 173.24 175.77 1xkq h SER 40 N 10.30 1.08 -0.07 5.45 0.02 -1.99 -1.38 113.55 126.96 1xkq h SER 40 Ca -0.26 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1xkq h SER 40 Cb 1.08 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.38 1xkq h SER 40 CO 1.14 0.73 0.03 -0.33 -1.14 0.00 0.00 176.83 177.25 1xkq h GLU 41 N 1.25 0.10 0.00 3.45 3.07 -2.00 -2.05 114.58 118.40 1xkq h GLU 41 Ca 0.41 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 59.16 1xkq h GLU 41 Cb 0.05 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 1xkq h GLU 41 CO -0.14 0.23 -0.45 0.00 -1.40 0.00 0.00 179.01 177.25 1xkq h ARG 42 N -0.05 0.00 -0.44 2.33 3.08 -1.81 -2.49 114.38 115.01 1xkq h ARG 42 Ca 0.02 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 1xkq h ARG 42 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1xkq h ARG 42 CO -0.00 0.45 -0.14 1.25 -1.07 0.00 0.00 179.97 180.46 1xkq h LEU 43 N 0.00 0.89 -1.02 3.04 5.85 -1.12 -2.58 115.31 120.37 1xkq h LEU 43 Ca -0.00 -0.38 -0.07 0.00 0.84 0.00 0.00 57.88 58.27 1xkq h LEU 43 Cb 0.93 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1xkq h LEU 43 CO 0.06 1.06 -0.07 -0.08 -0.34 0.00 0.00 178.44 179.07 1xkq h GLU 44 N 0.70 0.62 -0.99 1.25 4.57 -1.25 -1.83 114.58 117.65 1xkq h GLU 44 Ca 0.11 -0.17 0.03 0.00 -1.18 0.00 0.00 59.36 58.14 1xkq h GLU 44 Cb 0.69 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 29.16 1xkq h GLU 44 CO 0.05 0.69 0.65 1.49 -1.18 0.00 0.00 179.01 180.71 1xkq h GLU 45 N 0.58 1.25 -0.33 1.92 4.81 -1.17 0.41 114.58 122.05 1xkq h GLU 45 Ca 0.11 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1xkq h GLU 45 Cb 0.47 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1xkq h GLU 45 CO 0.02 0.83 -0.01 1.15 -0.73 0.00 0.00 179.01 180.27 1xkq h THR 46 N 1.29 1.26 -0.52 0.32 2.02 -1.03 -1.20 112.91 115.05 1xkq h THR 46 Ca 0.38 -0.99 0.05 0.00 0.77 0.00 0.00 66.41 66.62 1xkq h THR 46 Cb -0.07 1.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 1xkq h THR 46 CO -0.10 0.33 0.25 -0.09 0.37 0.00 0.00 175.52 176.28 1xkq h ARG 47 N 0.40 0.48 -0.71 6.66 1.12 -0.45 -2.24 114.38 119.63 1xkq h ARG 47 Ca 0.09 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 58.90 1xkq h ARG 47 Cb 0.47 -0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 30.29 1xkq h ARG 47 CO 0.02 0.32 0.32 1.96 -3.11 0.00 0.00 179.97 179.47 1xkq h GLN 48 N 0.49 1.04 -0.99 0.20 1.08 0.04 -0.80 115.11 116.17 1xkq h GLN 48 Ca 0.23 -0.17 0.06 0.00 -1.45 0.00 0.00 58.65 57.32 1xkq h GLN 48 Cb 0.16 -0.18 -0.06 0.00 -0.05 0.00 0.00 27.48 27.34 1xkq h GLN 48 CO -0.17 0.83 0.64 0.82 -0.95 0.00 0.00 178.83 180.01 1xkq h ILE 49 N 1.00 1.11 -0.19 2.54 1.08 -0.77 -0.94 117.51 121.34 1xkq h ILE 49 Ca 0.24 -0.41 -0.09 0.00 -0.39 0.00 0.00 64.86 64.21 1xkq h ILE 49 Cb 0.16 -0.17 -0.00 0.00 -3.07 0.00 0.00 36.82 33.73 1xkq h ILE 49 CO -0.03 0.22 -0.25 0.40 -0.69 0.00 0.00 178.15 177.80 1xkq h ILE 50 N 1.18 1.34 -0.39 -0.67 2.04 -0.88 -3.17 117.51 116.96 1xkq h ILE 50 Ca 0.42 -1.45 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 1xkq h ILE 50 Cb 0.12 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1xkq h ILE 50 CO -0.15 0.44 0.23 -0.07 0.00 0.00 0.00 178.15 178.60 1xkq h LEU 51 N 0.16 0.46 0.00 1.44 3.38 -0.79 -0.88 115.31 119.08 1xkq h LEU 51 Ca 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1xkq h LEU 51 Cb 0.82 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1xkq h LEU 51 CO 0.06 0.38 0.00 0.29 0.09 0.00 0.00 178.44 179.26 1xkq n LYS 52 N -4.78 0.00 0.00 1.13 5.02 -0.39 -0.37 118.16 118.77 1xkq n LYS 52 Ca 0.00 0.32 0.13 0.00 -2.02 0.00 0.00 58.31 56.74 1xkq n LYS 52 Cb 0.05 -1.50 0.38 0.00 -0.02 0.00 0.00 35.03 33.93 1xkq n LYS 52 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1xkq n SER 53 N -1.31 0.91 0.00 4.39 2.88 -0.34 -4.90 113.62 115.25 1xkq n SER 53 Ca 0.00 -0.77 0.00 0.00 -1.33 0.00 0.00 58.87 56.77 1xkq n SER 53 Cb 0.00 0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1xkq n SER 53 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xkq n GLY 54 N 1.36 0.75 3.73 0.46 0.00 0.50 -5.04 105.19 106.96 1xkq n GLY 54 Ca 0.11 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1xkq n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xkq s VAL 55 N -2.00 5.12 0.69 1.61 1.01 -1.23 -5.05 120.40 120.56 1xkq s VAL 55 Ca 0.00 1.08 -0.16 0.00 0.00 0.00 0.00 61.98 62.90 1xkq s VAL 55 Cb 0.00 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.53 1xkq s VAL 55 CO 0.00 0.34 1.19 -0.44 0.00 0.00 0.00 175.10 176.19 1xkq s SER 56 N 0.48 4.52 0.00 3.32 0.01 -1.26 -4.33 113.70 116.43 1xkq s SER 56 Ca 0.29 2.31 0.29 0.00 1.31 0.00 0.00 55.95 60.15 1xkq s SER 56 Cb -0.16 -2.59 1.34 0.00 0.21 0.00 0.00 66.02 64.83 1xkq s SER 56 CO 0.13 -2.04 1.97 1.21 0.41 0.00 0.00 173.24 174.91 1xkq n GLU 57 N -2.46 0.18 0.16 12.44 4.07 -1.26 -2.41 120.64 131.36 1xkq n GLU 57 Ca 0.13 0.01 0.13 0.00 -0.06 0.00 0.00 57.16 57.37 1xkq n GLU 57 Cb 0.50 -1.50 0.39 0.00 -0.06 0.00 0.00 31.44 30.77 1xkq n GLU 57 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1xkq h LYS 58 N 0.00 0.00 -0.26 5.31 1.63 -2.02 -2.54 116.57 118.68 1xkq h LYS 58 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1xkq h LYS 58 Cb 0.40 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1xkq h LYS 58 CO 0.00 0.00 0.00 1.04 -3.45 0.00 0.00 179.45 177.04 1xkq n GLN 59 N -2.56 2.33 -4.68 1.90 3.00 -1.01 -4.90 117.38 111.45 1xkq n GLN 59 Ca 0.04 -1.98 -0.25 0.00 -0.01 0.00 0.00 57.00 54.80 1xkq n GLN 59 Cb 0.41 -1.48 -0.16 0.00 0.00 0.00 0.00 30.24 29.00 1xkq n GLN 59 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1xkq s VAL 60 N -1.68 1.25 -0.29 5.09 1.01 -0.96 -0.91 120.40 123.92 1xkq s VAL 60 Ca 0.35 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1xkq s VAL 60 Cb 0.21 -1.11 0.08 0.00 0.00 0.00 0.00 36.38 35.56 1xkq s VAL 60 CO 0.31 0.38 0.02 0.21 0.00 0.00 0.00 175.10 176.01 1xkq s ASN 61 N 0.45 4.18 -0.15 3.32 2.47 0.09 -4.91 114.94 120.38 1xkq s ASN 61 Ca -0.11 -1.60 -0.16 0.00 0.42 0.00 0.00 52.86 51.40 1xkq s ASN 61 Cb -0.14 -1.22 -0.04 0.00 -1.45 0.00 0.00 41.25 38.39 1xkq s ASN 61 CO 0.04 -0.33 0.40 -0.94 -3.72 0.00 0.00 177.10 172.54 1xkq s SER 62 N 1.31 6.54 -0.14 -4.21 1.04 -1.26 -1.12 113.70 115.87 1xkq s SER 62 Ca 0.04 0.64 -0.00 0.00 0.48 0.00 0.00 55.95 57.10 1xkq s SER 62 Cb -0.18 -2.24 0.03 0.00 0.10 0.00 0.00 66.02 63.73 1xkq s SER 62 CO -0.12 0.02 -0.06 -0.69 0.98 0.00 0.00 173.24 173.36 1xkq s VAL 63 N 0.73 1.05 -0.37 5.02 1.01 -0.23 -4.97 120.40 122.63 1xkq s VAL 63 Ca 0.21 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.50 1xkq s VAL 63 Cb -0.14 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.11 1xkq s VAL 63 CO 0.07 0.26 0.94 -0.69 0.00 0.00 0.00 175.10 175.69 1xkq s VAL 64 N 1.68 4.56 0.15 2.92 1.01 -1.26 -2.83 120.40 126.63 1xkq s VAL 64 Ca 0.03 1.22 -0.24 0.00 0.00 0.00 0.00 61.98 62.99 1xkq s VAL 64 Cb -0.14 -4.35 0.06 0.00 0.00 0.00 0.00 36.38 31.95 1xkq s VAL 64 CO -0.08 -0.56 0.73 0.00 0.00 0.00 0.00 175.10 175.19 1xkq s ALA 65 N 3.54 -1.57 -0.37 5.51 0.00 0.10 -4.96 121.76 124.00 1xkq s ALA 65 Ca 0.39 0.37 -0.14 0.00 0.00 0.00 0.00 51.96 52.59 1xkq s ALA 65 Cb -0.12 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1xkq s ALA 65 CO 0.19 -0.85 0.26 0.34 0.00 0.00 0.00 175.76 175.71 1xkq s ASP 66 N -2.76 6.05 0.00 0.00 -1.08 -1.26 -3.85 116.67 113.77 1xkq s ASP 66 Ca 0.05 -0.68 0.12 0.00 -0.52 0.00 0.00 52.55 51.53 1xkq s ASP 66 Cb -0.02 -2.14 0.58 0.00 -1.46 0.00 0.00 42.92 39.88 1xkq s ASP 66 CO -0.06 -0.34 1.35 0.55 0.52 0.00 0.00 175.17 177.19 1xkq n VAL 67 N 5.12 0.90 1.20 1.11 3.14 -1.26 -2.16 118.33 126.38 1xkq n VAL 67 Ca -0.12 0.23 0.13 0.00 -2.96 0.00 0.00 64.34 61.61 1xkq n VAL 67 Cb 0.48 -1.02 0.27 0.00 -1.06 0.00 0.00 33.84 32.51 1xkq n VAL 67 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1xkq n THR 68 N -1.38 0.00 -4.07 1.55 -2.24 -1.26 -4.66 114.28 102.22 1xkq n THR 68 Ca 0.05 -0.23 -0.31 0.00 -2.27 0.00 0.00 64.05 61.28 1xkq n THR 68 Cb 0.12 0.78 -0.07 0.00 -2.10 0.00 0.00 70.33 69.06 1xkq n THR 68 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1xkq s THR 69 N -2.34 4.54 0.17 4.28 -4.23 -0.92 -4.97 115.64 112.18 1xkq s THR 69 Ca 0.26 -0.70 -0.15 0.00 -1.18 0.00 0.00 61.69 59.92 1xkq s THR 69 Cb 0.19 -3.16 0.05 0.00 1.34 0.00 0.00 72.50 70.93 1xkq s THR 69 CO 0.47 0.17 1.83 -0.33 -0.54 0.00 0.00 174.62 176.23 1xkq h GLU 70 N 3.47 0.66 -0.45 3.99 4.39 -1.90 -1.07 114.58 123.68 1xkq h GLU 70 Ca -0.47 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.16 1xkq h GLU 70 Cb 1.17 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 1xkq h GLU 70 CO 0.65 0.44 0.17 -0.44 -1.16 0.00 0.00 179.01 178.66 1xkq h ASP 71 N 0.68 0.63 -0.26 1.42 3.32 -1.95 -0.43 116.42 119.83 1xkq h ASP 71 Ca 0.18 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.07 1xkq h ASP 71 Cb -0.08 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1xkq h ASP 71 CO -0.04 0.64 0.14 1.23 -1.72 0.00 0.00 179.24 179.49 1xkq h GLY 72 N 0.58 0.35 0.98 2.75 0.00 -1.64 0.28 103.07 106.36 1xkq h GLY 72 Ca 0.15 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.38 1xkq h GLY 72 CO -0.01 0.09 0.17 1.46 0.00 0.00 0.00 176.54 178.25 1xkq h GLN 73 N 0.29 0.34 -1.01 4.80 4.20 -1.05 -2.30 115.11 120.38 1xkq h GLN 73 Ca 0.10 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.81 1xkq h GLN 73 Cb 0.01 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.66 1xkq h GLN 73 CO -0.06 0.22 0.67 -0.44 -0.67 0.00 0.00 178.83 178.55 1xkq h ASP 74 N 0.35 1.14 -0.60 1.46 3.32 -0.73 -2.34 116.42 119.01 1xkq h ASP 74 Ca 0.10 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1xkq h ASP 74 Cb -0.03 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 1xkq h ASP 74 CO -0.03 0.81 0.21 1.56 -1.72 0.00 0.00 179.24 180.06 1xkq h GLN 75 N 1.33 0.93 -0.22 3.56 7.50 -0.63 -0.02 115.11 127.56 1xkq h GLN 75 Ca 0.38 -0.19 -0.00 0.00 0.50 0.00 0.00 58.65 59.34 1xkq h GLN 75 Cb -0.10 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.28 1xkq h GLN 75 CO -0.10 0.82 0.13 0.82 -1.50 0.00 0.00 178.83 179.00 1xkq h ILE 76 N 0.85 1.09 -0.19 2.54 2.04 -1.04 -1.27 117.51 121.54 1xkq h ILE 76 Ca 0.20 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 1xkq h ILE 76 Cb 0.26 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1xkq h ILE 76 CO -0.01 0.09 -0.08 0.40 0.00 0.00 0.00 178.15 178.54 1xkq h ILE 77 N 0.26 1.31 -0.36 -0.67 1.08 -1.32 -2.97 117.51 114.84 1xkq h ILE 77 Ca 0.08 -1.13 -0.04 0.00 -0.39 0.00 0.00 64.86 63.38 1xkq h ILE 77 Cb 0.03 1.66 -0.01 0.00 -3.07 0.00 0.00 36.82 35.42 1xkq h ILE 77 CO -0.01 0.34 0.05 0.78 -0.69 0.00 0.00 178.15 178.62 1xkq h ASN 78 N 0.07 0.58 0.26 1.72 -0.26 -0.98 -2.26 115.58 114.71 1xkq h ASN 78 Ca 0.04 -0.27 -0.04 0.00 -0.56 0.00 0.00 56.30 55.48 1xkq h ASN 78 Cb 0.56 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.66 1xkq h ASN 78 CO 0.03 0.70 -0.19 0.77 -1.06 0.00 0.00 177.43 177.68 1xkq h SER 79 N 0.44 0.00 -0.02 5.81 4.64 -1.31 0.19 113.55 123.29 1xkq h SER 79 Ca 0.11 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.40 1xkq h SER 79 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1xkq h SER 79 CO 0.01 0.19 -0.11 0.74 -0.87 0.00 0.00 176.83 176.78 1xkq h THR 80 N 0.00 1.50 -0.71 2.95 2.02 -1.34 -2.28 112.91 115.05 1xkq h THR 80 Ca -0.00 -1.63 -0.07 0.00 0.77 0.00 0.00 66.41 65.48 1xkq h THR 80 Cb 0.37 2.52 -0.03 0.00 -1.74 0.00 0.00 68.15 69.27 1xkq h THR 80 CO 0.02 0.44 0.18 -0.07 0.37 0.00 0.00 175.52 176.46 1xkq h LEU 81 N -0.49 1.07 -0.90 2.58 3.38 -1.13 0.50 115.31 120.32 1xkq h LEU 81 Ca -0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1xkq h LEU 81 Cb 0.78 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1xkq h LEU 81 CO 0.02 1.02 0.43 0.50 0.09 0.00 0.00 178.44 180.50 1xkq h LYS 82 N 1.07 1.22 0.00 1.13 3.64 -0.66 1.09 116.57 124.06 1xkq h LYS 82 Ca 0.22 -0.17 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 1xkq h LYS 82 Cb 0.37 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1xkq h LYS 82 CO 0.00 0.92 -1.35 0.94 -2.27 0.00 0.00 179.45 177.69 1xkq n GLN 83 N -4.31 0.62 0.00 1.90 7.27 -0.86 -4.57 117.38 117.43 1xkq n GLN 83 Ca 0.09 0.19 0.00 0.00 0.07 0.00 0.00 57.00 57.34 1xkq n GLN 83 Cb 0.13 -1.80 0.00 0.00 2.41 0.00 0.00 30.24 30.98 1xkq n GLN 83 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1xkq n PHE 84 N -2.82 0.00 -0.99 3.69 3.72 0.17 -5.04 117.46 116.19 1xkq n PHE 84 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1xkq n PHE 84 Cb 0.77 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.31 1xkq n PHE 84 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xkq n GLY 85 N 2.45 0.66 3.69 1.37 0.00 0.38 -4.97 105.19 108.77 1xkq n GLY 85 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1xkq n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xkq s LYS 86 N -0.08 0.27 -0.07 1.61 -2.85 -1.26 -4.98 119.74 112.38 1xkq s LYS 86 Ca 0.00 -0.16 -0.00 0.00 -1.00 0.00 0.00 55.97 54.81 1xkq s LYS 86 Cb 0.00 0.09 0.03 0.00 -2.06 0.00 0.00 37.83 35.88 1xkq s LYS 86 CO 0.00 -0.12 -0.03 0.42 0.10 0.00 0.00 175.35 175.72 1xkq s ILE 87 N -2.21 0.53 -0.19 3.79 -1.09 -1.26 -4.61 121.20 116.16 1xkq s ILE 87 Ca 0.18 -0.03 0.10 0.00 -2.23 0.00 0.00 60.65 58.68 1xkq s ILE 87 Cb 0.04 -0.62 -0.19 0.00 -1.58 0.00 0.00 42.46 40.12 1xkq s ILE 87 CO -0.04 0.26 -0.03 0.47 -1.23 0.00 0.00 174.94 174.37 1xkq n ASP 88 N 4.70 1.31 -3.76 3.58 8.00 -0.19 -4.36 116.55 125.84 1xkq n ASP 88 Ca -0.14 -0.04 -0.13 0.00 0.71 0.00 0.00 54.79 55.18 1xkq n ASP 88 Cb 0.50 0.46 -0.10 0.00 -0.02 0.00 0.00 41.12 41.96 1xkq n ASP 88 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xkq s VAL 89 N -2.43 0.01 -0.11 2.53 0.11 -0.82 -0.74 120.40 118.96 1xkq s VAL 89 Ca -0.16 -0.09 0.04 0.00 -2.93 0.00 0.00 61.98 58.83 1xkq s VAL 89 Cb 0.06 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.42 1xkq s VAL 89 CO 0.63 -0.05 -0.23 -0.22 -3.33 0.00 0.00 175.10 171.90 1xkq s LEU 90 N -0.11 2.09 -0.33 2.54 2.96 -0.59 -1.03 118.68 124.21 1xkq s LEU 90 Ca -0.03 -0.57 0.01 0.00 -0.22 0.00 0.00 54.13 53.32 1xkq s LEU 90 Cb -0.03 -1.42 0.08 0.00 0.50 0.00 0.00 46.19 45.32 1xkq s LEU 90 CO 0.01 0.13 0.04 0.54 -1.32 0.00 0.00 176.35 175.75 1xkq s VAL 91 N 0.50 2.65 -1.11 1.68 0.11 -0.18 -0.86 120.40 123.20 1xkq s VAL 91 Ca -0.15 -1.90 -0.21 0.00 -2.93 0.00 0.00 61.98 56.79 1xkq s VAL 91 Cb -0.17 -2.74 0.05 0.00 -1.53 0.00 0.00 36.38 31.99 1xkq s VAL 91 CO 0.05 -0.38 1.58 0.20 -3.33 0.00 0.00 175.10 173.22 1xkq s ASN 92 N 1.24 6.52 -0.20 3.54 0.01 -0.57 -2.14 114.94 123.33 1xkq s ASN 92 Ca 0.02 -1.75 0.16 0.00 -0.71 0.00 0.00 52.86 50.58 1xkq s ASN 92 Cb -0.20 -2.57 -0.23 0.00 0.41 0.00 0.00 41.25 38.65 1xkq s ASN 92 CO -0.05 -1.49 0.04 -3.20 -1.51 0.00 0.00 177.10 170.89 1xkq n ASN 93 N 9.07 0.38 -4.70 -1.22 5.15 -1.25 -1.43 115.26 121.26 1xkq n ASN 93 Ca 0.39 -0.02 -0.44 0.00 -0.60 0.00 0.00 54.58 53.92 1xkq n ASN 93 Cb 0.49 0.83 -0.02 0.00 -0.53 0.00 0.00 39.78 40.55 1xkq n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xkq n ALA 94 N -2.78 1.64 -3.59 5.20 0.00 -1.22 -4.84 120.51 114.91 1xkq n ALA 94 Ca -0.33 0.40 0.01 0.00 0.00 0.00 0.00 53.44 53.52 1xkq n ALA 94 Cb 1.12 -2.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 1xkq n ALA 94 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xkq s GLY 95 N 0.40 -0.38 -0.15 0.00 0.00 -1.26 -4.73 107.32 101.20 1xkq s GLY 95 Ca 0.67 1.34 -0.31 0.00 0.00 0.00 0.00 44.72 46.43 1xkq s GLY 95 CO 0.48 0.36 1.05 0.00 0.00 0.00 0.00 173.10 175.00 1xkq s ALA 96 N -2.06 -1.96 -0.71 3.20 0.00 -1.26 -5.06 121.76 113.92 1xkq s ALA 96 Ca 0.14 1.51 -0.18 0.00 0.00 0.00 0.00 51.96 53.43 1xkq s ALA 96 Cb 0.04 -0.49 0.13 0.00 0.00 0.00 0.00 23.12 22.80 1xkq s ALA 96 CO -0.05 -0.42 0.83 0.00 0.00 0.00 0.00 175.76 176.11 1xkq s ALA 97 N -1.71 3.49 -0.19 0.00 0.00 -1.26 -4.88 121.76 117.21 1xkq s ALA 97 Ca 0.03 -2.50 -0.29 0.00 0.00 0.00 0.00 51.96 49.19 1xkq s ALA 97 Cb -0.01 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 1xkq s ALA 97 CO -0.03 -2.51 1.39 0.42 0.00 0.00 0.00 175.76 175.03 1xkq s ILE 98 N 2.37 4.05 0.68 0.00 1.01 -1.26 -4.64 121.20 123.41 1xkq s ILE 98 Ca 0.18 1.24 -0.08 0.00 0.00 0.00 0.00 60.65 61.99 1xkq s ILE 98 Cb -0.17 -3.91 0.04 0.00 0.01 0.00 0.00 42.46 38.43 1xkq s ILE 98 CO 0.01 -0.23 1.01 -2.16 0.00 0.00 0.00 174.94 173.56 1xkq s PRO 99 N 3.93 2.50 0.47 2.79 0.04 -1.26 -4.97 135.00 138.50 1xkq s PRO 99 Ca 0.61 -0.03 -0.01 0.00 0.04 0.00 0.00 61.00 61.60 1xkq s PRO 99 Cb -0.23 -2.16 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 1xkq s PRO 99 CO 0.21 -1.08 0.72 0.34 0.04 0.00 0.00 177.00 177.23 1xkq s ASP 100 N -4.43 5.86 0.43 6.66 2.15 -1.26 -4.97 116.67 121.10 1xkq s ASP 100 Ca 0.58 0.44 0.30 0.00 0.43 0.00 0.00 52.55 54.30 1xkq s ASP 100 Cb -0.11 -1.67 1.39 0.00 -0.30 0.00 0.00 42.92 42.23 1xkq s ASP 100 CO 0.46 -0.73 1.90 0.00 -0.17 0.00 0.00 175.17 176.63 1xkq h ALA 101 N 0.30 1.00 -0.13 3.66 0.00 -1.98 -2.60 119.26 119.50 1xkq h ALA 101 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xkq h ALA 101 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1xkq h ALA 101 CO 0.59 0.00 0.00 1.19 0.00 0.00 0.00 179.25 181.03 1xkq n PHE 102 N -2.64 0.28 -2.02 0.00 3.01 -1.26 -4.96 117.46 109.86 1xkq n PHE 102 Ca 0.00 -0.68 -0.17 0.00 1.01 0.00 0.00 57.45 57.61 1xkq n PHE 102 Cb 0.19 -0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 39.51 1xkq n PHE 102 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xkq n GLY 103 N -0.46 0.38 3.74 1.37 0.00 -0.98 -4.94 105.19 104.30 1xkq n GLY 103 Ca 0.10 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1xkq n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xkq s THR 104 N -2.76 2.85 0.23 2.61 2.01 -1.26 -4.93 115.64 114.39 1xkq s THR 104 Ca 0.00 0.71 0.03 0.00 0.31 0.00 0.00 61.69 62.74 1xkq s THR 104 Cb 0.00 -3.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 1xkq s THR 104 CO 0.00 0.11 -0.00 0.42 -0.69 0.00 0.00 174.62 174.46 1xkq s THR 105 N 0.07 1.01 0.00 -0.82 -4.23 -1.26 -4.53 115.64 105.88 1xkq s THR 105 Ca 0.59 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1xkq s THR 105 Cb -0.40 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1xkq s THR 105 CO 0.41 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 1xkq n GLY 106 N -0.41 -1.82 0.34 3.99 0.00 0.73 -4.21 105.19 103.81 1xkq n GLY 106 Ca -0.05 -1.54 0.18 0.00 0.00 0.00 0.00 46.02 44.60 1xkq n GLY 106 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xkq h THR 107 N 0.00 0.34 0.00 2.61 2.02 -1.89 -2.35 112.91 113.64 1xkq h THR 107 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1xkq h THR 107 Cb 0.00 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1xkq h THR 107 CO 0.00 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.36 1xkq n ASP 108 N -3.57 0.26 -4.65 4.18 8.00 -1.26 -4.85 116.55 114.67 1xkq n ASP 108 Ca 0.00 0.54 -0.48 0.00 0.71 0.00 0.00 54.79 55.57 1xkq n ASP 108 Cb 0.30 -0.61 -0.05 0.00 -0.02 0.00 0.00 41.12 40.75 1xkq n ASP 108 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xkq n GLN 109 N -1.77 1.85 -1.46 -1.24 6.02 -0.88 -4.89 117.38 115.02 1xkq n GLN 109 Ca 0.05 0.67 -0.34 0.00 -0.01 0.00 0.00 57.00 57.36 1xkq n GLN 109 Cb 0.28 -2.39 0.09 0.00 1.02 0.00 0.00 30.24 29.24 1xkq n GLN 109 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1xkq s GLY 110 N 0.75 2.39 0.52 1.08 0.00 -1.26 -4.88 107.32 105.92 1xkq s GLY 110 Ca 0.80 0.91 0.35 0.00 0.00 0.00 0.00 44.72 46.78 1xkq s GLY 110 CO 0.41 1.32 2.07 1.19 0.00 0.00 0.00 173.10 178.09 1xkq h ILE 111 N -0.23 0.00 -0.19 0.90 6.09 -1.97 -0.03 117.51 122.07 1xkq h ILE 111 Ca -0.48 -0.05 -0.16 0.00 -1.37 0.00 0.00 64.86 62.80 1xkq h ILE 111 Cb 1.30 0.86 -0.01 0.00 0.47 0.00 0.00 36.82 39.44 1xkq h ILE 111 CO 0.50 0.00 -0.53 -0.78 -3.07 0.00 0.00 178.15 174.27 1xkq h ASP 112 N 0.00 0.62 -0.40 2.19 3.58 -2.00 -1.25 116.42 119.16 1xkq h ASP 112 Ca 0.00 -0.32 -0.07 0.00 0.42 0.00 0.00 57.03 57.05 1xkq h ASP 112 Cb 0.06 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 1xkq h ASP 112 CO 0.00 1.03 -0.04 0.40 -2.88 0.00 0.00 179.24 177.76 1xkq h ILE 113 N 0.43 1.27 0.04 2.25 1.08 -1.35 -1.77 117.51 119.46 1xkq h ILE 113 Ca 0.01 -1.08 0.03 0.00 -0.39 0.00 0.00 64.86 63.43 1xkq h ILE 113 Cb 1.07 1.16 -0.05 0.00 -3.07 0.00 0.00 36.82 35.94 1xkq h ILE 113 CO 0.10 0.36 -0.36 0.22 -0.69 0.00 0.00 178.15 177.78 1xkq h TYR 114 N 0.55 -1.00 -0.11 1.37 3.20 -1.26 0.67 116.97 120.38 1xkq h TYR 114 Ca 0.11 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.04 1xkq h TYR 114 Cb 0.53 0.43 -0.04 0.00 1.54 0.00 0.00 36.73 39.20 1xkq h TYR 114 CO 0.04 -0.45 -0.10 0.45 -1.64 0.00 0.00 178.16 176.46 1xkq h HIS 115 N -0.54 -0.24 -0.56 -3.82 3.86 -1.14 -1.42 115.15 111.29 1xkq h HIS 115 Ca 0.05 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1xkq h HIS 115 Cb 0.61 0.12 -0.03 0.00 1.06 0.00 0.00 27.41 29.17 1xkq h HIS 115 CO -0.36 -0.15 0.35 0.87 0.86 0.00 0.00 177.93 179.50 1xkq h LYS 116 N -0.12 0.76 -0.23 2.45 1.57 -1.09 -1.85 116.57 118.07 1xkq h LYS 116 Ca 0.08 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1xkq h LYS 116 Cb 0.23 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1xkq h LYS 116 CO -0.18 0.55 -0.03 1.79 -0.57 0.00 0.00 179.45 181.00 1xkq h THR 117 N 0.76 1.27 -0.30 -0.16 1.35 -0.65 -3.01 112.91 112.18 1xkq h THR 117 Ca 0.20 -0.99 -0.09 0.00 -0.55 0.00 0.00 66.41 64.98 1xkq h THR 117 Cb -0.03 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 1xkq h THR 117 CO -0.04 0.31 -0.21 -0.07 -0.25 0.00 0.00 175.52 175.26 1xkq h LEU 118 N 0.17 0.55 -0.96 3.87 4.07 -1.25 0.35 115.31 122.11 1xkq h LEU 118 Ca 0.06 -0.18 0.05 0.00 0.08 0.00 0.00 57.88 57.89 1xkq h LEU 118 Cb 0.47 -0.15 -0.06 0.00 1.08 0.00 0.00 40.66 42.00 1xkq h LEU 118 CO 0.02 0.76 0.62 0.50 -1.08 0.00 0.00 178.44 179.26 1xkq h LYS 119 N 0.49 1.13 0.00 1.13 3.64 -1.31 0.24 116.57 121.89 1xkq h LYS 119 Ca 0.08 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1xkq h LYS 119 Cb 0.63 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1xkq h LYS 119 CO 0.05 0.75 -0.41 1.25 -2.27 0.00 0.00 179.45 178.81 1xkq h LEU 120 N 1.17 0.00 -0.17 5.20 5.85 -1.37 -0.71 115.31 125.27 1xkq h LEU 120 Ca 0.40 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1xkq h LEU 120 Cb 0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1xkq h LEU 120 CO -0.14 0.97 0.00 0.59 -0.34 0.00 0.00 178.44 179.51 1xkq n ASN 121 N -4.61 0.61 0.07 1.25 3.02 0.10 -4.10 115.26 111.60 1xkq n ASN 121 Ca -0.13 0.58 0.00 0.00 -0.03 0.00 0.00 54.58 55.00 1xkq n ASN 121 Cb 0.38 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 1xkq n ASN 121 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1xkq n LEU 122 N -2.10 0.36 -0.22 3.41 7.94 0.03 -4.75 117.00 121.67 1xkq n LEU 122 Ca 0.05 0.24 0.02 0.00 -1.11 0.00 0.00 56.01 55.21 1xkq n LEU 122 Cb 0.35 0.02 0.14 0.00 0.53 0.00 0.00 43.42 44.46 1xkq n LEU 122 CO 0.26 -0.71 0.98 -0.61 -1.11 0.00 0.00 177.39 176.20 1xkq h GLN 123 N 0.00 0.37 -0.93 1.96 4.15 -0.68 -0.76 115.11 119.22 1xkq h GLN 123 Ca 0.00 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1xkq h GLN 123 Cb 0.00 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.56 1xkq h GLN 123 CO 0.00 0.24 0.55 0.00 -1.93 0.00 0.00 178.83 177.69 1xkq h ALA 124 N 1.48 1.22 -0.58 3.38 0.00 -1.27 0.18 119.26 123.67 1xkq h ALA 124 Ca 0.35 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1xkq h ALA 124 Cb 0.49 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1xkq h ALA 124 CO -0.37 0.66 0.30 0.28 0.00 0.00 0.00 179.25 180.12 1xkq h VAL 125 N 1.28 1.20 -0.19 0.00 2.07 -1.39 -0.05 116.25 119.17 1xkq h VAL 125 Ca 0.33 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1xkq h VAL 125 Cb -0.04 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1xkq h VAL 125 CO -0.06 0.22 0.09 0.40 0.02 0.00 0.00 177.57 178.24 1xkq h ILE 126 N 0.79 1.13 -0.56 4.57 2.04 -0.47 -1.35 117.51 123.65 1xkq h ILE 126 Ca 0.20 -0.37 -0.10 0.00 1.00 0.00 0.00 64.86 65.59 1xkq h ILE 126 Cb 0.08 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1xkq h ILE 126 CO -0.03 0.12 -0.02 -0.33 0.00 0.00 0.00 178.15 177.89 1xkq h GLU 127 N 0.18 1.01 -0.64 2.37 5.08 -0.81 -1.48 114.58 120.29 1xkq h GLU 127 Ca 0.07 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 1xkq h GLU 127 Cb 0.12 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1xkq h GLU 127 CO -0.01 1.02 0.11 0.52 -1.00 0.00 0.00 179.01 179.64 1xkq h MET 128 N 0.89 1.05 -0.23 2.33 2.86 -0.96 -1.37 114.93 119.50 1xkq h MET 128 Ca 0.16 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1xkq h MET 128 Cb 0.58 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1xkq h MET 128 CO 0.03 0.96 0.11 1.15 1.06 0.00 0.00 176.91 180.23 1xkq h THR 129 N 0.99 1.13 -0.67 2.22 2.02 -1.00 -0.81 112.91 116.78 1xkq h THR 129 Ca 0.20 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.94 1xkq h THR 129 Cb 0.42 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 1xkq h THR 129 CO 0.01 0.13 0.12 0.11 0.37 0.00 0.00 175.52 176.26 1xkq h LYS 130 N 0.24 1.10 0.00 6.66 1.57 -1.12 -0.08 116.57 124.94 1xkq h LYS 130 Ca 0.08 -0.29 -0.12 0.00 -1.87 0.00 0.00 60.65 58.45 1xkq h LYS 130 Cb 0.10 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1xkq h LYS 130 CO -0.01 1.00 -0.59 0.87 -0.57 0.00 0.00 179.45 180.16 1xkq h LYS 131 N 1.04 0.00 0.00 3.15 1.57 -1.09 -3.10 116.57 118.14 1xkq h LYS 131 Ca 0.21 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1xkq h LYS 131 Cb 0.43 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1xkq h LYS 131 CO 0.01 0.59 -0.95 -0.39 -0.57 0.00 0.00 179.45 178.14 1xkq h VAL 132 N 0.00 0.07 -0.82 0.50 -1.51 -1.03 -3.42 116.25 110.04 1xkq h VAL 132 Ca -0.01 -1.14 0.09 0.00 -1.23 0.00 0.00 66.70 64.41 1xkq h VAL 132 Cb 1.09 1.62 -0.11 0.00 -2.13 0.00 0.00 31.29 31.76 1xkq h VAL 132 CO 0.08 0.04 -0.55 0.50 -1.23 0.00 0.00 177.57 176.40 1xkq h LYS 133 N 0.00 -0.11 -0.13 5.19 3.64 -0.92 -0.56 116.57 123.67 1xkq h LYS 133 Ca -0.02 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1xkq h LYS 133 Cb 1.07 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1xkq h LYS 133 CO 0.01 -0.07 0.09 -1.00 -2.27 0.00 0.00 179.45 176.20 1xkq h PRO 134 N -0.11 0.16 0.00 1.90 0.13 -1.80 0.10 132.00 132.38 1xkq h PRO 134 Ca 0.16 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 65.15 1xkq h PRO 134 Cb 0.48 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.56 1xkq h PRO 134 CO -0.84 0.11 -0.62 0.45 -0.23 0.00 0.00 178.00 176.87 1xkq h HIS 135 N 0.17 0.00 0.02 1.56 3.86 -1.44 -2.32 115.15 117.00 1xkq h HIS 135 Ca 0.05 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.04 1xkq h HIS 135 Cb -0.00 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 1xkq h HIS 135 CO -0.00 0.62 -1.02 -0.07 0.86 0.00 0.00 177.93 178.32 1xkq h LEU 136 N 0.00 0.05 -0.56 2.43 3.38 0.08 -2.47 115.31 118.22 1xkq h LEU 136 Ca -0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1xkq h LEU 136 Cb 1.10 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1xkq h LEU 136 CO 0.08 1.03 0.29 0.58 0.09 0.00 0.00 178.44 180.51 1xkq h VAL 137 N 0.01 1.19 -0.44 1.22 2.07 -0.61 0.71 116.25 120.40 1xkq h VAL 137 Ca -0.02 -0.52 -0.08 0.00 0.82 0.00 0.00 66.70 66.90 1xkq h VAL 137 Cb 1.77 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1xkq h VAL 137 CO 0.14 0.21 -0.02 0.00 0.02 0.00 0.00 177.57 177.92 1xkq h ALA 138 N 1.12 0.60 -0.10 1.67 0.00 -1.40 -3.07 119.26 118.08 1xkq h ALA 138 Ca 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xkq h ALA 138 Cb 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1xkq h ALA 138 CO -0.03 0.42 0.00 -1.13 0.00 0.00 0.00 179.25 178.51 1xkq n SER 139 N -4.36 1.99 -3.97 0.00 3.41 -0.93 -4.92 113.62 104.83 1xkq n SER 139 Ca -0.00 -1.69 -0.26 0.00 -0.26 0.00 0.00 58.87 56.66 1xkq n SER 139 Cb 0.32 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 1xkq n SER 139 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xkq n LYS 140 N 0.54 -3.26 0.00 4.33 5.02 0.23 -4.93 118.16 120.09 1xkq n LYS 140 Ca 0.17 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 1xkq n LYS 140 Cb 0.41 -4.54 0.00 0.00 -0.02 0.00 0.00 35.03 30.88 1xkq n LYS 140 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xkq n GLY 141 N -1.97 -0.61 3.22 0.72 0.00 -0.20 -4.71 105.19 101.63 1xkq n GLY 141 Ca -0.30 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 1xkq n GLY 141 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xkq s GLU 142 N 0.00 0.93 -0.02 1.61 2.02 0.09 -2.52 118.70 120.81 1xkq s GLU 142 Ca 0.00 -1.20 0.03 0.00 0.02 0.00 0.00 54.97 53.82 1xkq s GLU 142 Cb 0.00 0.31 -0.00 0.00 0.10 0.00 0.00 34.13 34.54 1xkq s GLU 142 CO 0.00 -0.29 -0.10 0.42 0.02 0.00 0.00 175.26 175.31 1xkq s ILE 143 N -3.96 0.82 -0.18 -1.63 1.01 0.09 -1.54 121.20 115.80 1xkq s ILE 143 Ca 0.14 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 1xkq s ILE 143 Cb 0.05 -0.71 0.05 0.00 0.01 0.00 0.00 42.46 41.87 1xkq s ILE 143 CO -0.04 0.25 0.01 -0.69 0.00 0.00 0.00 174.94 174.47 1xkq s VAL 144 N 0.05 0.71 0.19 2.92 1.01 -0.04 -0.83 120.40 124.42 1xkq s VAL 144 Ca -0.01 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1xkq s VAL 144 Cb -0.07 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 1xkq s VAL 144 CO 0.00 -0.10 0.39 0.20 0.00 0.00 0.00 175.10 175.60 1xkq s ASN 145 N 1.78 6.41 -0.27 3.32 0.01 -0.33 -1.51 114.94 124.34 1xkq s ASN 145 Ca -0.01 0.45 -0.04 0.00 -0.71 0.00 0.00 52.86 52.55 1xkq s ASN 145 Cb -0.16 -2.03 0.02 0.00 0.41 0.00 0.00 41.25 39.49 1xkq s ASN 145 CO -0.07 -0.03 0.01 -0.69 -1.51 0.00 0.00 177.10 174.80 1xkq s VAL 146 N -1.84 3.38 0.00 1.60 1.01 -0.51 -1.44 120.40 122.59 1xkq s VAL 146 Ca 0.39 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1xkq s VAL 146 Cb -0.11 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.52 1xkq s VAL 146 CO 0.28 0.11 0.00 -0.24 0.00 0.00 0.00 175.10 175.26 1xkq n SER 147 N 4.75 0.00 -3.63 3.32 2.88 0.61 -4.88 113.62 116.68 1xkq n SER 147 Ca -0.15 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.35 1xkq n SER 147 Cb 0.47 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.89 1xkq n SER 147 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1xkq s SER 148 N -0.52 -0.11 0.00 -3.46 0.15 -1.26 -4.25 113.70 104.25 1xkq s SER 148 Ca 0.00 0.10 0.17 0.00 0.70 0.00 0.00 55.95 56.92 1xkq s SER 148 Cb 0.00 0.09 0.85 0.00 -1.71 0.00 0.00 66.02 65.25 1xkq s SER 148 CO 0.00 -0.11 1.52 2.30 1.20 0.00 0.00 173.24 178.15 1xkq n ILE 149 N 0.45 0.55 0.49 6.45 -0.00 -1.06 -2.03 119.36 124.21 1xkq n ILE 149 Ca -0.01 0.14 0.10 0.00 -0.00 0.00 0.00 62.75 62.97 1xkq n ILE 149 Cb 0.58 -0.85 0.41 0.00 -0.00 0.00 0.00 39.64 39.78 1xkq n ILE 149 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 1xkq n VAL 150 N -1.33 0.85 0.28 7.28 0.31 -1.26 -2.27 118.33 122.19 1xkq n VAL 150 Ca 0.07 0.20 0.16 0.00 -0.01 0.00 0.00 64.34 64.77 1xkq n VAL 150 Cb 0.15 -1.02 0.83 0.00 -0.91 0.00 0.00 33.84 32.89 1xkq n VAL 150 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xkq h ALA 151 N 2.43 1.13 0.00 3.52 0.00 -1.58 -3.43 119.26 121.32 1xkq h ALA 151 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xkq h ALA 151 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xkq h ALA 151 CO 0.00 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.74 1xkq n GLY 152 N -0.56 0.96 0.00 0.00 0.00 -0.96 -4.36 105.19 100.26 1xkq n GLY 152 Ca -0.01 -1.99 0.12 0.00 0.00 0.00 0.00 46.02 44.13 1xkq n GLY 152 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xkq n PRO 153 N -1.11 0.25 -2.47 1.61 -0.04 -1.26 -4.82 135.00 127.16 1xkq n PRO 153 Ca 0.00 0.07 -0.31 0.00 -0.04 0.00 0.00 63.50 63.22 1xkq n PRO 153 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1xkq n PRO 153 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1xkq s GLN 154 N -2.68 3.84 0.52 0.54 -0.21 -1.26 -5.04 119.66 115.36 1xkq s GLN 154 Ca 0.20 0.75 -0.18 0.00 0.02 0.00 0.00 55.36 56.15 1xkq s GLN 154 Cb 0.16 -2.21 -0.07 0.00 1.00 0.00 0.00 33.01 31.89 1xkq s GLN 154 CO 0.38 -0.24 1.03 0.00 -2.12 0.00 0.00 175.29 174.34 1xkq s ALA 155 N -2.63 2.86 -0.47 6.09 0.00 -1.26 -4.88 121.76 121.46 1xkq s ALA 155 Ca 0.56 0.47 0.05 0.00 0.00 0.00 0.00 51.96 53.03 1xkq s ALA 155 Cb -0.10 -3.22 0.19 0.00 0.00 0.00 0.00 23.12 19.99 1xkq s ALA 155 CO 0.35 -0.45 0.43 1.04 0.00 0.00 0.00 175.76 177.12 1xkq n GLN 156 N -1.40 0.72 0.00 0.00 1.13 -1.26 -5.01 117.38 111.55 1xkq n GLN 156 Ca 0.09 -3.50 0.03 0.00 -1.94 0.00 0.00 57.00 51.68 1xkq n GLN 156 Cb 0.53 -1.72 0.19 0.00 0.11 0.00 0.00 30.24 29.35 1xkq n GLN 156 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1xkq n PRO 157 N 2.26 0.45 -0.08 -1.09 -0.04 -1.26 -3.69 135.00 131.56 1xkq n PRO 157 Ca 0.26 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.57 1xkq n PRO 157 Cb 0.46 -1.23 -0.05 0.00 -0.04 0.00 0.00 33.50 32.65 1xkq n PRO 157 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xkq n ASP 158 N -0.73 1.37 -3.69 3.54 8.00 -1.26 -3.25 116.55 120.54 1xkq n ASP 158 Ca 0.05 0.23 -0.32 0.00 0.71 0.00 0.00 54.79 55.46 1xkq n ASP 158 Cb 0.02 -0.55 -0.06 0.00 -0.02 0.00 0.00 41.12 40.51 1xkq n ASP 158 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1xkq n PHE 159 N -3.90 3.40 -0.29 1.24 3.01 -1.26 -0.19 117.46 119.48 1xkq n PHE 159 Ca -0.28 -3.83 -0.02 0.00 1.01 0.00 0.00 57.45 54.33 1xkq n PHE 159 Cb 0.63 -0.79 0.10 0.00 -0.01 0.00 0.00 39.48 39.41 1xkq n PHE 159 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1xkq h LEU 160 N 4.81 0.84 -0.74 4.37 4.07 -1.86 -2.26 115.31 124.54 1xkq h LEU 160 Ca 0.19 -0.00 -0.12 0.00 0.08 0.00 0.00 57.88 58.03 1xkq h LEU 160 Cb 0.68 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 1xkq h LEU 160 CO 0.94 0.57 -0.28 1.88 -1.08 0.00 0.00 178.44 180.47 1xkq h TYR 161 N 0.98 0.75 -0.59 1.13 0.05 -1.91 -0.14 116.97 117.25 1xkq h TYR 161 Ca 0.32 -0.18 -0.06 0.00 0.05 0.00 0.00 58.73 58.86 1xkq h TYR 161 Cb 0.02 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 1xkq h TYR 161 CO -0.03 0.86 0.13 -0.92 -1.05 0.00 0.00 178.16 177.15 1xkq h TYR 162 N 0.56 1.00 -0.01 4.88 3.20 -1.90 -1.44 116.97 123.27 1xkq h TYR 162 Ca 0.07 -0.12 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 1xkq h TYR 162 Cb 0.77 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 1xkq h TYR 162 CO 0.03 0.85 0.00 0.00 -1.64 0.00 0.00 178.16 177.41 1xkq h ALA 163 N 1.03 0.01 0.00 1.82 0.00 -0.98 -2.54 119.26 118.59 1xkq h ALA 163 Ca 0.18 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1xkq h ALA 163 Cb 0.36 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1xkq h ALA 163 CO 0.00 -0.40 -0.42 -0.84 0.00 0.00 0.00 179.25 177.59 1xkq h ILE 164 N -0.17 1.23 -0.64 0.00 3.07 -0.99 -1.33 117.51 118.68 1xkq h ILE 164 Ca 0.00 -1.47 -0.07 0.00 1.55 0.00 0.00 64.86 64.87 1xkq h ILE 164 Cb 0.18 1.81 -0.03 0.00 -0.27 0.00 0.00 36.82 38.51 1xkq h ILE 164 CO -0.00 0.41 0.12 0.00 -1.05 0.00 0.00 178.15 177.63 1xkq h ALA 165 N 1.58 1.01 -0.13 0.16 0.00 -1.14 -0.13 119.26 120.61 1xkq h ALA 165 Ca -0.00 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 1xkq h ALA 165 Cb 0.77 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1xkq h ALA 165 CO 0.05 0.64 -0.62 0.87 0.00 0.00 0.00 179.25 180.19 1xkq h LYS 166 N 0.98 0.44 -0.76 0.00 1.79 -1.03 -0.95 116.57 117.04 1xkq h LYS 166 Ca 0.20 -0.31 -0.02 0.00 -2.18 0.00 0.00 60.65 58.34 1xkq h LYS 166 Cb 0.39 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.05 1xkq h LYS 166 CO 0.01 0.92 0.38 0.00 -1.08 0.00 0.00 179.45 179.67 1xkq h ALA 167 N 1.01 0.97 -0.29 3.86 0.00 -0.84 -0.83 119.26 123.14 1xkq h ALA 167 Ca -0.01 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1xkq h ALA 167 Cb 1.16 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1xkq h ALA 167 CO 0.11 0.53 -0.25 0.00 0.00 0.00 0.00 179.25 179.63 1xkq h ALA 168 N 1.19 1.02 -0.36 0.00 0.00 -0.84 -2.96 119.26 117.31 1xkq h ALA 168 Ca 0.26 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1xkq h ALA 168 Cb 0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1xkq h ALA 168 CO -0.04 0.59 0.19 1.25 0.00 0.00 0.00 179.25 181.25 1xkq h LEU 169 N 0.50 0.30 -0.53 0.00 6.46 -0.27 -0.41 115.31 121.36 1xkq h LEU 169 Ca 0.07 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.89 1xkq h LEU 169 Cb 0.70 -0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 40.54 1xkq h LEU 169 CO 0.05 0.22 0.27 0.44 -0.62 0.00 0.00 178.44 178.80 1xkq h ASP 170 N 0.40 0.38 0.65 1.25 3.32 -1.02 0.35 116.42 121.75 1xkq h ASP 170 Ca 0.15 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 1xkq h ASP 170 Cb 0.03 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1xkq h ASP 170 CO -0.09 0.26 -0.42 -0.61 -1.72 0.00 0.00 179.24 176.67 1xkq h GLN 171 N 0.52 0.00 -0.38 3.56 5.75 -1.41 -1.46 115.11 121.69 1xkq h GLN 171 Ca 0.24 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.58 1xkq h GLN 171 Cb 0.15 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 1xkq h GLN 171 CO -0.17 0.42 -0.38 -0.92 -2.65 0.00 0.00 178.83 175.13 1xkq h TYR 172 N 0.00 1.09 0.28 3.99 3.20 0.56 -0.40 116.97 125.68 1xkq h TYR 172 Ca -0.00 -0.32 -0.01 0.00 3.14 0.00 0.00 58.73 61.53 1xkq h TYR 172 Cb 0.86 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.90 1xkq h TYR 172 CO 0.00 1.14 -0.13 1.15 -1.64 0.00 0.00 178.16 178.68 1xkq h THR 173 N 0.74 0.75 -0.27 1.81 2.02 -0.04 -0.77 112.91 117.16 1xkq h THR 173 Ca 0.06 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.11 1xkq h THR 173 Cb 0.97 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 1xkq h THR 173 CO 0.09 0.04 0.06 0.03 0.37 0.00 0.00 175.52 176.11 1xkq h ARG 174 N -0.46 0.16 -0.38 6.66 3.08 -1.22 -1.22 114.38 120.99 1xkq h ARG 174 Ca -0.04 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1xkq h ARG 174 Cb 0.35 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1xkq h ARG 174 CO 0.06 0.11 -0.01 0.77 -1.07 0.00 0.00 179.97 179.83 1xkq h SER 175 N 0.16 0.67 0.82 7.04 0.02 -1.00 -2.54 113.55 118.72 1xkq h SER 175 Ca 0.12 -0.32 -0.07 0.00 -0.84 0.00 0.00 61.79 60.68 1xkq h SER 175 Cb 0.12 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1xkq h SER 175 CO -0.15 0.83 -0.36 0.71 -1.14 0.00 0.00 176.83 176.71 1xkq h THR 176 N 0.50 0.86 -0.38 -2.27 1.35 -1.11 -1.98 112.91 109.89 1xkq h THR 176 Ca 0.11 -1.45 -0.03 0.00 -0.55 0.00 0.00 66.41 64.49 1xkq h THR 176 Cb 0.49 1.89 -0.02 0.00 -1.73 0.00 0.00 68.15 68.78 1xkq h THR 176 CO 0.02 0.35 0.14 0.00 -0.25 0.00 0.00 175.52 175.78 1xkq h ALA 177 N 1.64 0.50 -0.39 6.62 0.00 -0.96 0.36 119.26 127.04 1xkq h ALA 177 Ca -0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1xkq h ALA 177 Cb 0.86 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1xkq h ALA 177 CO 0.05 0.12 -0.39 0.82 0.00 0.00 0.00 179.25 179.85 1xkq h ILE 178 N 0.47 1.27 0.06 0.00 1.08 -1.34 -1.43 117.51 117.62 1xkq h ILE 178 Ca 0.12 -1.56 -0.00 0.00 -0.39 0.00 0.00 64.86 63.03 1xkq h ILE 178 Cb 0.22 1.38 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 1xkq h ILE 178 CO -0.01 0.52 -0.03 -0.78 -0.69 0.00 0.00 178.15 177.16 1xkq h ASP 179 N 0.76 -0.07 0.99 1.72 3.58 -1.20 -3.15 116.42 119.05 1xkq h ASP 179 Ca 0.06 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.25 1xkq h ASP 179 Cb 0.98 0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.05 1xkq h ASP 179 CO 0.10 0.23 0.00 0.18 -2.88 0.00 0.00 179.24 176.86 1xkq n LEU 180 N -4.99 0.50 0.24 2.28 4.77 0.12 -3.39 117.00 116.54 1xkq n LEU 180 Ca -0.08 0.58 0.07 0.00 -0.03 0.00 0.00 56.01 56.55 1xkq n LEU 180 Cb 0.18 -0.46 0.59 0.00 -2.33 0.00 0.00 43.42 41.39 1xkq n LEU 180 CO 0.33 -0.29 0.98 0.00 -1.33 0.00 0.00 177.39 177.08 1xkq h ALA 181 N 2.51 1.78 0.00 -1.18 0.00 -1.21 -1.41 119.26 119.75 1xkq h ALA 181 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xkq h ALA 181 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xkq h ALA 181 CO 0.00 0.13 0.00 0.36 0.00 0.00 0.00 179.25 179.74 1xkq n LYS 182 N -4.34 0.07 -0.38 0.00 2.85 -1.22 -1.83 118.16 113.31 1xkq n LYS 182 Ca -0.03 0.36 0.08 0.00 -1.05 0.00 0.00 58.31 57.67 1xkq n LYS 182 Cb 0.18 -1.65 0.24 0.00 -0.65 0.00 0.00 35.03 33.16 1xkq n LYS 182 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1xkq n PHE 183 N -1.78 0.90 -1.05 5.58 3.72 -0.54 -4.95 117.46 119.33 1xkq n PHE 183 Ca 0.02 -0.66 -0.02 0.00 -0.05 0.00 0.00 57.45 56.74 1xkq n PHE 183 Cb 0.16 -0.18 -0.01 0.00 -0.94 0.00 0.00 39.48 38.51 1xkq n PHE 183 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xkq n GLY 184 N 0.31 0.53 3.86 1.37 0.00 -0.76 -4.69 105.19 105.80 1xkq n GLY 184 Ca 0.19 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1xkq n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xkq s ILE 185 N -1.96 5.01 -0.18 -0.61 -1.09 -1.13 -4.55 121.20 116.69 1xkq s ILE 185 Ca 0.00 0.56 -0.00 0.00 -2.23 0.00 0.00 60.65 58.98 1xkq s ILE 185 Cb 0.00 -3.67 0.01 0.00 -1.58 0.00 0.00 42.46 37.22 1xkq s ILE 185 CO 0.00 0.25 -0.16 -0.13 -1.23 0.00 0.00 174.94 173.67 1xkq s ARG 186 N -1.99 3.12 -0.14 2.79 0.52 -1.05 -3.93 118.95 118.27 1xkq s ARG 186 Ca 0.35 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.79 1xkq s ARG 186 Cb -0.14 -2.66 -0.01 0.00 0.52 0.00 0.00 34.95 32.66 1xkq s ARG 186 CO 0.19 -0.14 -0.15 0.08 0.02 0.00 0.00 175.30 175.30 1xkq s VAL 187 N 1.18 2.83 0.16 3.52 1.01 -1.26 -0.73 120.40 127.11 1xkq s VAL 187 Ca 0.02 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1xkq s VAL 187 Cb -0.14 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 1xkq s VAL 187 CO -0.07 0.52 0.16 0.59 0.00 0.00 0.00 175.10 176.30 1xkq n ASN 188 N 3.77 -0.43 -3.83 3.32 3.02 -0.01 -1.10 115.26 119.99 1xkq n ASN 188 Ca -0.19 -2.01 -0.08 0.00 -0.03 0.00 0.00 54.58 52.28 1xkq n ASN 188 Cb 0.52 0.93 -0.02 0.00 -0.61 0.00 0.00 39.78 40.59 1xkq n ASN 188 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1xkq s SER 189 N -2.09 -0.21 -0.02 6.41 0.15 0.53 -1.19 113.70 117.28 1xkq s SER 189 Ca 0.18 -0.70 0.01 0.00 0.70 0.00 0.00 55.95 56.13 1xkq s SER 189 Cb 0.01 0.71 0.02 0.00 -1.71 0.00 0.00 66.02 65.04 1xkq s SER 189 CO 0.13 -1.33 -0.01 0.54 1.20 0.00 0.00 173.24 173.76 1xkq s VAL 190 N -3.84 0.19 -0.51 4.45 0.11 -0.52 -1.31 120.40 118.97 1xkq s VAL 190 Ca 0.13 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.16 1xkq s VAL 190 Cb -0.05 -0.24 0.13 0.00 -1.53 0.00 0.00 36.38 34.70 1xkq s VAL 190 CO 0.08 0.11 0.31 -0.44 -3.33 0.00 0.00 175.10 171.82 1xkq s SER 191 N 0.57 5.20 0.66 3.54 0.01 0.10 -0.29 113.70 123.50 1xkq s SER 191 Ca -0.06 -2.44 -0.15 0.00 1.31 0.00 0.00 55.95 54.62 1xkq s SER 191 Cb -0.09 -1.83 0.00 0.00 0.21 0.00 0.00 66.02 64.32 1xkq s SER 191 CO -0.01 -0.45 1.11 -2.84 0.41 0.00 0.00 173.24 171.45 1xkq s PRO 192 N 0.54 2.80 0.00 12.44 0.02 -1.26 -1.31 135.00 148.24 1xkq s PRO 192 Ca 0.12 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.51 1xkq s PRO 192 Cb -0.22 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.35 1xkq s PRO 192 CO -0.04 -1.25 0.00 0.41 -0.33 0.00 0.00 177.00 175.80 1xkq n GLY 193 N -0.61 1.91 3.73 0.52 0.00 0.34 -2.56 105.19 108.53 1xkq n GLY 193 Ca 0.10 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1xkq n GLY 193 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xkq s MET 194 N 3.85 4.27 -0.00 1.61 1.75 -1.26 -4.94 119.30 124.57 1xkq s MET 194 Ca 0.00 2.26 0.01 0.00 -1.25 0.00 0.00 55.69 56.71 1xkq s MET 194 Cb 0.00 -3.15 -0.00 0.00 2.84 0.00 0.00 34.83 34.51 1xkq s MET 194 CO 0.00 -0.47 -0.02 0.54 -0.65 0.00 0.00 175.02 174.41 1xkq s VAL 195 N 0.57 0.19 -0.55 10.11 0.11 -1.26 -2.72 120.40 126.85 1xkq s VAL 195 Ca 0.64 -0.10 -0.28 0.00 -2.93 0.00 0.00 61.98 59.30 1xkq s VAL 195 Cb -0.41 -0.17 0.03 0.00 -1.53 0.00 0.00 36.38 34.30 1xkq s VAL 195 CO 0.37 0.05 1.21 -1.61 -3.33 0.00 0.00 175.10 171.79 1xkq s GLU 196 N -0.04 3.53 0.00 1.54 2.02 -0.16 -4.90 118.70 120.70 1xkq s GLU 196 Ca 0.01 0.35 0.00 0.00 0.02 0.00 0.00 54.97 55.35 1xkq s GLU 196 Cb -0.01 -4.01 0.00 0.00 0.10 0.00 0.00 34.13 30.21 1xkq s GLU 196 CO -0.00 -1.65 0.00 0.25 0.02 0.00 0.00 175.26 173.88 1xkq n THR 197 N 6.74 0.00 1.02 3.63 -2.24 -1.26 -4.33 114.28 117.84 1xkq n THR 197 Ca 0.10 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.00 1xkq n THR 197 Cb 0.49 0.00 0.26 0.00 -2.10 0.00 0.00 70.33 68.98 1xkq n THR 197 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xkq n GLY 198 N 0.00 0.80 0.45 3.38 0.00 -1.26 -4.57 105.19 103.99 1xkq n GLY 198 Ca 0.00 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 1xkq n GLY 198 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xkq h PHE 199 N 3.77 -1.52 -0.65 1.61 3.57 -1.96 0.27 116.94 122.03 1xkq h PHE 199 Ca 0.00 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1xkq h PHE 199 Cb 0.81 0.68 -0.03 0.00 2.79 0.00 0.00 35.95 40.20 1xkq h PHE 199 CO 0.06 -0.53 0.35 1.79 -2.23 0.00 0.00 178.31 177.75 1xkq h THR 200 N -0.57 1.20 -0.53 4.41 1.35 -1.93 -1.89 112.91 114.96 1xkq h THR 200 Ca 0.04 -0.50 -0.07 0.00 -0.55 0.00 0.00 66.41 65.33 1xkq h THR 200 Cb 0.67 0.32 -0.02 0.00 -1.73 0.00 0.00 68.15 67.40 1xkq h THR 200 CO -0.43 0.22 0.05 -1.13 -0.25 0.00 0.00 175.52 173.98 1xkq h ASN 201 N 0.91 0.82 0.32 5.36 -1.24 -1.56 -1.62 115.58 118.56 1xkq h ASN 201 Ca 0.23 -0.19 -0.04 0.00 0.71 0.00 0.00 56.30 57.01 1xkq h ASN 201 Cb 0.03 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 38.86 1xkq h ASN 201 CO -0.04 0.86 -0.19 0.00 -1.29 0.00 0.00 177.43 176.77 1xkq h ALA 202 N 1.24 1.43 0.00 1.57 0.00 -0.16 -1.53 119.26 121.80 1xkq h ALA 202 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xkq h ALA 202 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1xkq h ALA 202 CO 0.01 0.23 0.00 -1.33 0.00 0.00 0.00 179.25 178.17 1xkq n MET 203 N -3.94 0.16 0.00 0.00 2.81 -0.71 -4.89 117.12 110.55 1xkq n MET 203 Ca -0.02 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 1xkq n MET 203 Cb 0.27 -1.70 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 1xkq n MET 203 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xkq n GLY 204 N 1.15 0.93 3.71 3.03 0.00 -0.58 -4.75 105.19 108.69 1xkq n GLY 204 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1xkq n GLY 204 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xkq s MET 205 N -0.29 4.41 0.64 1.61 -1.94 -0.69 -4.99 119.30 118.05 1xkq s MET 205 Ca 0.00 1.84 -0.15 0.00 -1.71 0.00 0.00 55.69 55.67 1xkq s MET 205 Cb 0.00 -3.32 -0.01 0.00 2.01 0.00 0.00 34.83 33.51 1xkq s MET 205 CO 0.00 -0.30 1.10 -2.14 -0.01 0.00 0.00 175.02 173.68 1xkq s PRO 206 N 1.06 2.90 0.29 2.03 0.02 -1.26 -4.06 135.00 135.97 1xkq s PRO 206 Ca 0.60 1.37 0.02 0.00 0.02 0.00 0.00 61.00 63.02 1xkq s PRO 206 Cb -0.31 -1.96 0.60 0.00 0.02 0.00 0.00 34.50 32.85 1xkq s PRO 206 CO 0.29 -1.17 1.82 -0.44 -0.33 0.00 0.00 177.00 177.17 1xkq h ASP 207 N 0.14 0.88 -0.00 2.53 3.32 -1.98 -1.02 116.42 120.29 1xkq h ASP 207 Ca -0.47 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 56.51 1xkq h ASP 207 Cb 1.24 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1xkq h ASP 207 CO 0.55 0.43 -0.43 1.56 -1.72 0.00 0.00 179.24 179.62 1xkq h GLN 208 N 0.93 0.53 -0.21 3.56 4.20 -1.99 -1.57 115.11 120.56 1xkq h GLN 208 Ca 0.52 -0.28 -0.16 0.00 0.06 0.00 0.00 58.65 58.79 1xkq h GLN 208 Cb 0.61 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1xkq h GLN 208 CO -0.30 0.86 -0.54 0.00 -0.67 0.00 0.00 178.83 178.18 1xkq h ALA 209 N 1.10 0.67 -0.60 3.87 0.00 -1.76 -2.43 119.26 120.11 1xkq h ALA 209 Ca 0.03 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 1xkq h ALA 209 Cb 0.93 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1xkq h ALA 209 CO 0.08 0.69 0.13 0.77 0.00 0.00 0.00 179.25 180.91 1xkq h SER 210 N 0.47 0.92 -0.57 0.00 0.02 -1.05 -1.16 113.55 112.18 1xkq h SER 210 Ca 0.01 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 60.68 1xkq h SER 210 Cb 1.09 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 1xkq h SER 210 CO 0.11 0.93 0.23 -0.61 -1.14 0.00 0.00 176.83 176.35 1xkq h GLN 211 N 0.87 0.90 -0.21 3.45 5.75 -1.18 -0.88 115.11 123.80 1xkq h GLN 211 Ca 0.18 -0.15 -0.09 0.00 -0.15 0.00 0.00 58.65 58.45 1xkq h GLN 211 Cb 0.38 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 1xkq h GLN 211 CO 0.01 0.74 -0.25 0.87 -2.65 0.00 0.00 178.83 177.55 1xkq h LYS 212 N 0.88 0.39 -0.11 1.69 1.79 -0.99 -1.96 116.57 118.27 1xkq h LYS 212 Ca 0.21 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1xkq h LYS 212 Cb 0.19 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1xkq h LYS 212 CO -0.02 0.61 0.02 0.35 -1.08 0.00 0.00 179.45 179.33 1xkq h PHE 213 N 0.35 0.19 -0.39 -1.35 3.57 -0.12 -2.38 116.94 116.80 1xkq h PHE 213 Ca 0.05 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1xkq h PHE 213 Cb 0.63 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1xkq h PHE 213 CO 0.02 0.38 0.24 1.88 -2.23 0.00 0.00 178.31 178.60 1xkq h TYR 214 N -0.06 0.45 -0.74 0.41 0.05 -0.98 -1.25 116.97 114.84 1xkq h TYR 214 Ca 0.03 0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 1xkq h TYR 214 Cb 0.30 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 1xkq h TYR 214 CO 0.02 0.27 0.22 -0.91 -1.05 0.00 0.00 178.16 176.71 1xkq h ASN 215 N 0.49 1.10 0.18 3.88 2.35 -1.36 0.37 115.58 122.58 1xkq h ASN 215 Ca 0.15 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1xkq h ASN 215 Cb -0.02 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.07 1xkq h ASN 215 CO -0.06 1.02 -0.09 0.15 -1.65 0.00 0.00 177.43 176.81 1xkq h PHE 216 N 1.11 -0.22 -0.34 1.19 3.04 -1.22 -1.13 116.94 119.37 1xkq h PHE 216 Ca 0.24 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.24 1xkq h PHE 216 Cb 0.33 0.07 -0.05 0.00 2.56 0.00 0.00 35.95 38.86 1xkq h PHE 216 CO 0.03 0.08 0.04 0.52 -2.02 0.00 0.00 178.31 176.96 1xkq h MET 217 N -0.52 0.15 -0.25 1.11 2.86 -1.12 -2.38 114.93 114.77 1xkq h MET 217 Ca -0.02 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1xkq h MET 217 Cb 0.40 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1xkq h MET 217 CO 0.04 0.10 -0.20 0.00 1.06 0.00 0.00 176.91 177.91 1xkq h ALA 218 N 1.27 1.19 0.00 6.32 0.00 -0.90 -2.99 119.26 124.15 1xkq h ALA 218 Ca 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xkq h ALA 218 Cb 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xkq h ALA 218 CO -0.24 0.52 -0.23 -1.13 0.00 0.00 0.00 179.25 178.17 1xkq n SER 219 N -4.16 0.39 -4.38 0.00 3.41 -0.43 -4.18 113.62 104.27 1xkq n SER 219 Ca -0.00 0.25 -0.36 0.00 -0.26 0.00 0.00 58.87 58.51 1xkq n SER 219 Cb 0.36 -0.25 -0.13 0.00 -0.26 0.00 0.00 64.21 63.93 1xkq n SER 219 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1xkq s HIS 220 N -3.04 3.02 0.45 7.33 4.02 -0.93 -5.00 115.29 121.14 1xkq s HIS 220 Ca 0.11 -0.68 0.27 0.00 1.02 0.00 0.00 55.06 55.79 1xkq s HIS 220 Cb 0.17 -2.15 1.49 0.00 -1.02 0.00 0.00 32.58 31.06 1xkq s HIS 220 CO 0.62 -0.44 2.10 1.57 1.02 0.00 0.00 174.74 179.61 1xkq h LYS 221 N 8.09 0.00 0.00 1.40 2.10 -1.85 -0.46 116.57 125.85 1xkq h LYS 221 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1xkq h LYS 221 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1xkq h LYS 221 CO 0.59 0.10 0.00 1.05 -2.00 0.00 0.00 179.45 179.19 1xkq h GLU 222 N 0.00 0.00 0.00 0.07 9.09 -1.92 -2.87 114.58 118.95 1xkq h GLU 222 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.37 1xkq h GLU 222 Cb 0.27 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.36 1xkq h GLU 222 CO 0.01 0.00 -0.77 0.00 0.05 0.00 0.00 179.01 178.30 1xkq s ILE 224 N -2.44 0.77 0.47 0.00 1.01 -0.63 -4.20 121.20 116.18 1xkq s ILE 224 Ca -0.21 -1.81 0.27 0.00 0.00 0.00 0.00 60.65 58.90 1xkq s ILE 224 Cb 0.03 -1.56 0.46 0.00 0.01 0.00 0.00 42.46 41.40 1xkq s ILE 224 CO 0.31 -0.84 1.80 -0.65 0.00 0.00 0.00 174.94 175.57 1xkq h PRO 225 N 7.37 0.19 0.00 2.79 0.11 -1.31 -0.84 132.00 140.32 1xkq h PRO 225 Ca -0.05 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1xkq h PRO 225 Cb 0.97 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1xkq h PRO 225 CO 0.42 0.13 0.00 0.97 -0.21 0.00 0.00 178.00 179.31 1xkq h ILE 226 N 0.20 0.00 -0.06 4.15 2.10 -1.56 -3.47 117.51 118.87 1xkq h ILE 226 Ca 0.55 -0.30 -0.02 0.00 1.08 0.00 0.00 64.86 66.17 1xkq h ILE 226 Cb 1.78 1.09 -0.01 0.00 -1.09 0.00 0.00 36.82 38.60 1xkq h ILE 226 CO -0.15 0.00 -0.02 0.61 -1.08 0.00 0.00 178.15 177.51 1xkq n GLY 227 N 0.22 0.50 2.99 8.18 0.00 -0.32 -5.03 105.19 111.73 1xkq n GLY 227 Ca 0.03 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 1xkq n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkq s ALA 228 N -1.96 -0.04 0.34 4.61 0.00 -1.26 -4.77 121.76 118.67 1xkq s ALA 228 Ca 0.00 -0.28 -0.26 0.00 0.00 0.00 0.00 51.96 51.42 1xkq s ALA 228 Cb 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 23.12 23.10 1xkq s ALA 228 CO 0.00 -0.13 1.01 0.00 0.00 0.00 0.00 175.76 176.64 1xkq s ALA 229 N -0.99 3.21 0.49 0.00 0.00 -1.26 -4.86 121.76 118.35 1xkq s ALA 229 Ca -0.11 0.66 -0.22 0.00 0.00 0.00 0.00 51.96 52.29 1xkq s ALA 229 Cb -0.07 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 1xkq s ALA 229 CO -0.00 -0.02 1.20 0.20 0.00 0.00 0.00 175.76 177.13 1xkq s GLY 230 N -1.43 2.78 0.19 0.00 0.00 -1.10 -4.90 107.32 102.86 1xkq s GLY 230 Ca 0.51 0.99 0.11 0.00 0.00 0.00 0.00 44.72 46.33 1xkq s GLY 230 CO 0.29 1.45 -0.24 0.54 0.00 0.00 0.00 173.10 175.14 1xkq s LYS 231 N -2.83 1.48 0.28 2.90 -0.14 -1.26 -0.99 119.74 119.18 1xkq s LYS 231 Ca 0.67 -1.50 0.02 0.00 -1.36 0.00 0.00 55.97 53.80 1xkq s LYS 231 Cb -0.30 -1.78 0.69 0.00 -1.68 0.00 0.00 37.83 34.75 1xkq s LYS 231 CO 0.36 0.39 1.69 -1.35 -0.76 0.00 0.00 175.35 175.68 1xkq h PRO 232 N 3.26 0.35 -0.11 -1.68 0.11 -1.92 -0.24 132.00 131.76 1xkq h PRO 232 Ca -0.46 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1xkq h PRO 232 Cb 1.21 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1xkq h PRO 232 CO 0.48 0.23 0.06 0.93 -0.21 0.00 0.00 178.00 179.48 1xkq h GLU 233 N 0.36 0.15 -0.41 1.05 3.07 -1.94 -0.40 114.58 116.47 1xkq h GLU 233 Ca 0.54 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.37 1xkq h GLU 233 Cb 1.01 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.87 1xkq h GLU 233 CO -0.54 0.12 0.20 0.45 -1.40 0.00 0.00 179.01 177.84 1xkq h HIS 234 N 0.16 0.56 0.10 4.33 3.86 -1.44 -0.57 115.15 122.14 1xkq h HIS 234 Ca 0.04 -0.01 -0.35 0.00 -1.16 0.00 0.00 60.37 58.90 1xkq h HIS 234 Cb 0.02 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 1xkq h HIS 234 CO 0.00 0.41 -1.90 0.82 0.86 0.00 0.00 177.93 178.12 1xkq h ILE 235 N 0.57 0.71 -0.89 2.45 1.08 -1.40 -3.34 117.51 116.70 1xkq h ILE 235 Ca 0.15 -2.45 0.06 0.00 -0.39 0.00 0.00 64.86 62.22 1xkq h ILE 235 Cb 0.06 2.51 -0.06 0.00 -3.07 0.00 0.00 36.82 36.26 1xkq h ILE 235 CO -0.02 0.81 0.56 0.00 -0.69 0.00 0.00 178.15 178.81 1xkq h ALA 236 N 0.30 1.21 -0.97 1.87 0.00 -0.89 -1.45 119.26 119.33 1xkq h ALA 236 Ca -0.38 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.58 1xkq h ALA 236 Cb 2.03 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 19.50 1xkq h ALA 236 CO 0.10 0.34 0.63 -0.91 0.00 0.00 0.00 179.25 179.40 1xkq h ASN 237 N 1.04 0.99 0.01 0.00 -0.26 -1.25 -1.24 115.58 114.87 1xkq h ASN 237 Ca 0.38 0.01 -0.18 0.00 -0.56 0.00 0.00 56.30 55.95 1xkq h ASN 237 Cb 0.13 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.19 1xkq h ASN 237 CO -0.16 0.63 -0.64 -0.29 -1.06 0.00 0.00 177.43 175.91 1xkq h ILE 238 N 1.12 1.32 -0.35 2.81 6.09 -1.42 -2.05 117.51 125.02 1xkq h ILE 238 Ca 0.42 -1.91 -0.01 0.00 -1.37 0.00 0.00 64.86 61.98 1xkq h ILE 238 Cb 0.19 1.88 -0.02 0.00 0.47 0.00 0.00 36.82 39.34 1xkq h ILE 238 CO -0.16 0.60 0.16 0.40 -3.07 0.00 0.00 178.15 176.08 1xkq h ILE 239 N 0.44 1.17 -0.62 2.19 2.04 -0.70 -0.02 117.51 122.00 1xkq h ILE 239 Ca -0.01 -0.48 -0.08 0.00 1.00 0.00 0.00 64.86 65.29 1xkq h ILE 239 Cb 1.22 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1xkq h ILE 239 CO 0.12 0.18 0.09 -0.07 0.00 0.00 0.00 178.15 178.47 1xkq h LEU 240 N 0.43 1.00 -0.09 1.44 4.07 -1.24 -0.62 115.31 120.31 1xkq h LEU 240 Ca 0.12 -0.27 0.03 0.00 0.08 0.00 0.00 57.88 57.84 1xkq h LEU 240 Cb 0.13 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.58 1xkq h LEU 240 CO -0.01 1.02 -0.07 0.15 -1.08 0.00 0.00 178.44 178.44 1xkq h PHE 241 N 0.95 -0.16 0.00 1.13 3.57 -1.06 0.95 116.94 122.32 1xkq h PHE 241 Ca 0.19 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 1xkq h PHE 241 Cb 0.45 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 1xkq h PHE 241 CO 0.03 -0.11 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.82 1xkq h LEU 242 N -0.08 0.00 0.00 0.59 3.38 -0.74 -1.64 115.31 116.83 1xkq h LEU 242 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xkq h LEU 242 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1xkq h LEU 242 CO -0.14 0.12 -0.19 0.00 0.09 0.00 0.00 178.44 178.33 1xkq h ALA 243 N 1.88 0.89 -1.65 1.53 0.00 -0.21 -3.41 119.26 118.29 1xkq h ALA 243 Ca -0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1xkq h ALA 243 Cb 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.86 1xkq h ALA 243 CO 0.02 0.00 1.12 0.34 0.00 0.00 0.00 179.25 180.73 1xkq s ASP 244 N -4.86 6.66 0.30 0.00 -1.08 0.24 -4.86 116.67 113.07 1xkq s ASP 244 Ca 0.08 -2.02 0.03 0.00 -0.52 0.00 0.00 52.55 50.13 1xkq s ASP 244 Cb 0.11 -2.45 0.63 0.00 -1.46 0.00 0.00 42.92 39.75 1xkq s ASP 244 CO 0.65 -1.14 1.85 -0.09 0.52 0.00 0.00 175.17 176.95 1xkq h ARG 245 N 8.83 0.88 -0.33 4.34 2.43 -1.81 0.39 114.38 129.12 1xkq h ARG 245 Ca 0.20 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.40 1xkq h ARG 245 Cb 1.00 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1xkq h ARG 245 CO 1.22 0.58 0.23 -0.97 -1.51 0.00 0.00 179.97 179.52 1xkq h ASN 246 N 0.91 0.07 0.00 -3.80 -1.24 -1.94 0.89 115.58 110.47 1xkq h ASN 246 Ca 0.48 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.44 1xkq h ASN 246 Cb 0.55 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.58 1xkq h ASN 246 CO -0.25 0.04 -0.90 0.18 -1.29 0.00 0.00 177.43 175.21 1xkq n LEU 247 N -4.46 1.87 -0.67 0.34 4.32 -0.05 -4.61 117.00 113.73 1xkq n LEU 247 Ca 0.04 0.49 0.09 0.00 -0.02 0.00 0.00 56.01 56.61 1xkq n LEU 247 Cb 0.35 -0.83 0.27 0.00 -1.62 0.00 0.00 43.42 41.59 1xkq n LEU 247 CO 0.35 -0.25 0.71 -1.54 -1.22 0.00 0.00 177.39 175.44 1xkq n SER 248 N -4.52 1.99 -0.07 -1.43 3.41 -0.16 -4.75 113.62 108.09 1xkq n SER 248 Ca -0.16 -1.86 -0.02 0.00 -0.26 0.00 0.00 58.87 56.58 1xkq n SER 248 Cb 0.44 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 1xkq n SER 248 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1xkq n PHE 249 N 0.55 -0.08 0.60 7.33 7.35 0.31 -0.37 117.46 133.16 1xkq n PHE 249 Ca 0.15 0.22 0.07 0.00 -0.76 0.00 0.00 57.45 57.13 1xkq n PHE 249 Cb 0.35 -0.48 0.33 0.00 0.35 0.00 0.00 39.48 40.04 1xkq n PHE 249 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 1xkq n TYR 250 N -4.05 0.00 -3.01 -5.13 9.36 -1.26 -4.61 117.16 108.47 1xkq n TYR 250 Ca 0.00 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.82 1xkq n TYR 250 Cb 0.05 -0.34 -0.05 0.00 -0.63 0.00 0.00 39.34 38.36 1xkq n TYR 250 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1xkq s ILE 251 N -2.69 4.96 -0.12 2.97 1.01 0.50 -5.03 121.20 122.81 1xkq s ILE 251 Ca 0.11 1.42 -0.06 0.00 0.00 0.00 0.00 60.65 62.12 1xkq s ILE 251 Cb 0.09 -4.04 0.05 0.00 0.01 0.00 0.00 42.46 38.56 1xkq s ILE 251 CO 0.22 0.09 0.28 -0.22 0.00 0.00 0.00 174.94 175.31 1xkq s LEU 252 N 1.85 0.40 -0.99 2.97 0.20 -1.26 -4.89 118.68 116.96 1xkq s LEU 252 Ca 0.34 0.59 0.00 0.00 0.69 0.00 0.00 54.13 55.75 1xkq s LEU 252 Cb -0.16 0.87 0.00 0.00 -0.43 0.00 0.00 46.19 46.46 1xkq s LEU 252 CO 0.12 -0.16 0.00 0.61 -0.29 0.00 0.00 176.35 176.63 1xkq n GLY 253 N 4.05 0.61 3.59 7.98 0.00 -0.26 -5.02 105.19 116.14 1xkq n GLY 253 Ca -0.23 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 1xkq n GLY 253 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xkq s GLN 254 N -3.63 2.15 -0.30 1.61 -1.52 -1.26 -4.39 119.66 112.32 1xkq s GLN 254 Ca 0.00 -1.15 0.03 0.00 -1.95 0.00 0.00 55.36 52.29 1xkq s GLN 254 Cb 0.00 -2.25 0.08 0.00 -0.22 0.00 0.00 33.01 30.62 1xkq s GLN 254 CO 0.00 0.46 0.00 0.45 -0.25 0.00 0.00 175.29 175.95 1xkq s SER 255 N -2.64 4.47 -0.06 5.90 0.15 -1.26 -0.35 113.70 119.91 1xkq s SER 255 Ca 0.24 -1.77 -0.30 0.00 0.70 0.00 0.00 55.95 54.83 1xkq s SER 255 Cb -0.10 -1.46 -0.05 0.00 -1.71 0.00 0.00 66.02 62.71 1xkq s SER 255 CO 0.15 -0.32 1.49 -0.63 1.20 0.00 0.00 173.24 175.14 1xkq s ILE 256 N 1.10 3.77 -0.05 6.45 -1.09 -0.43 -4.53 121.20 126.43 1xkq s ILE 256 Ca 0.03 1.01 -0.30 0.00 -2.23 0.00 0.00 60.65 59.17 1xkq s ILE 256 Cb -0.19 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 1xkq s ILE 256 CO -0.09 -0.06 1.08 -0.69 -1.23 0.00 0.00 174.94 173.95 1xkq s VAL 257 N 3.39 4.57 -0.45 2.92 1.01 -1.26 0.02 120.40 130.59 1xkq s VAL 257 Ca 0.66 1.85 0.02 0.00 0.00 0.00 0.00 61.98 64.52 1xkq s VAL 257 Cb -0.30 -4.19 0.14 0.00 0.00 0.00 0.00 36.38 32.03 1xkq s VAL 257 CO 0.25 0.05 0.26 0.00 0.00 0.00 0.00 175.10 175.66 1xkq s ALA 258 N 1.77 2.14 -0.04 5.51 0.00 -0.43 -4.91 121.76 125.81 1xkq s ALA 258 Ca 0.52 -2.63 0.05 0.00 0.00 0.00 0.00 51.96 49.90 1xkq s ALA 258 Cb -0.22 -1.87 0.08 0.00 0.00 0.00 0.00 23.12 21.12 1xkq s ALA 258 CO 0.22 -2.06 1.04 -0.40 0.00 0.00 0.00 175.76 174.56 1xkq n ASP 259 N 3.40 0.65 -0.90 0.00 5.75 -1.26 -0.51 116.55 123.68 1xkq n ASP 259 Ca 0.11 -2.30 -0.11 0.00 -0.01 0.00 0.00 54.79 52.48 1xkq n ASP 259 Cb 0.36 -0.26 -0.05 0.00 -1.03 0.00 0.00 41.12 40.14 1xkq n ASP 259 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xkq n GLY 260 N -0.39 1.03 0.39 6.12 0.00 -1.26 -1.45 105.19 109.63 1xkq n GLY 260 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1xkq n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xkq n GLY 261 N 0.17 0.53 0.23 -0.02 0.00 -1.26 -1.40 105.19 103.43 1xkq n GLY 261 Ca -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 1xkq n GLY 261 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xkq h THR 262 N 0.00 0.43 0.00 2.61 2.02 -1.42 -0.85 112.91 115.71 1xkq h THR 262 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1xkq h THR 262 Cb 0.00 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1xkq h THR 262 CO 0.00 0.01 0.00 -1.54 0.37 0.00 0.00 175.52 174.36 1xkq n SER 263 N -5.36 0.00 -0.36 4.18 3.41 -1.26 -2.75 113.62 111.48 1xkq n SER 263 Ca 0.08 0.50 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 1xkq n SER 263 Cb 0.34 -0.50 0.42 0.00 -0.26 0.00 0.00 64.21 64.20 1xkq n SER 263 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xkq n LEU 264 N -1.50 1.29 -4.55 1.04 4.77 -0.33 -4.86 117.00 112.86 1xkq n LEU 264 Ca 0.04 -0.39 -0.34 0.00 -0.03 0.00 0.00 56.01 55.29 1xkq n LEU 264 Cb 0.19 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.10 1xkq n LEU 264 CO 0.15 0.23 -0.31 0.54 -1.33 0.00 0.00 177.39 176.67 1xkq s VAL 265 N -2.29 4.27 0.46 4.08 0.11 -1.11 -5.10 120.40 120.83 1xkq s VAL 265 Ca 0.30 -0.22 -0.15 0.00 -2.93 0.00 0.00 61.98 58.97 1xkq s VAL 265 Cb 0.20 -2.90 -0.08 0.00 -1.53 0.00 0.00 36.38 32.07 1xkq s VAL 265 CO 0.44 0.47 0.91 -0.32 -3.33 0.00 0.00 175.10 173.27 1xkq s MET 266 N 0.43 3.94 0.34 1.54 1.75 -1.26 -4.97 119.30 121.06 1xkq s MET 266 Ca -0.01 0.82 0.04 0.00 -1.25 0.00 0.00 55.69 55.29 1xkq s MET 266 Cb -0.13 -2.23 0.66 0.00 2.84 0.00 0.00 34.83 35.96 1xkq s MET 266 CO 0.02 -0.15 1.94 0.78 -0.65 0.00 0.00 175.02 176.95 1xkq h GLY 267 N 1.22 1.11 1.88 2.11 0.00 -1.98 -1.32 103.07 106.08 1xkq h GLY 267 Ca -0.47 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.47 1xkq h GLY 267 CO 0.62 0.25 -0.11 -0.91 0.00 0.00 0.00 176.54 176.40 1xkq h THR 268 N 0.86 1.14 0.00 4.70 1.35 -1.95 -2.35 112.91 116.67 1xkq h THR 268 Ca 0.35 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1xkq h THR 268 Cb 0.25 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1xkq h THR 268 CO -0.12 0.19 0.00 0.00 -0.25 0.00 0.00 175.52 175.33 1xkq n GLN 269 N -4.33 0.57 0.04 4.72 6.02 -0.50 -1.76 117.38 122.14 1xkq n GLN 269 Ca -0.01 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.11 1xkq n GLN 269 Cb 0.23 -1.43 0.43 0.00 1.02 0.00 0.00 30.24 30.49 1xkq n GLN 269 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xkq n ALA 270 N -0.93 2.63 -2.65 -1.58 0.00 -0.88 -4.77 120.51 112.33 1xkq n ALA 270 Ca 0.12 -0.15 -0.32 0.00 0.00 0.00 0.00 53.44 53.09 1xkq n ALA 270 Cb 0.05 -1.36 -0.16 0.00 0.00 0.00 0.00 19.45 17.99 1xkq n ALA 270 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1xkq s HIS 271 N -3.05 2.49 -2.00 0.00 3.76 -0.72 -5.03 115.29 110.74 1xkq s HIS 271 Ca 0.11 -0.58 0.29 0.00 -0.15 0.00 0.00 55.06 54.74 1xkq s HIS 271 Cb 0.16 -1.61 1.73 0.00 1.11 0.00 0.00 32.58 33.98 1xkq s HIS 271 CO 0.61 -0.12 2.07 -3.47 -0.85 0.00 0.00 174.74 172.97