#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkq n ARG 3 N 0.00 0.30 -0.42 0.54 1.85 -1.19 -3.52 116.66 114.22 1xkq n ARG 3 Ca 0.00 -0.08 0.06 0.00 -1.00 0.00 0.00 57.85 56.83 1xkq n ARG 3 Cb 0.00 -1.50 0.20 0.00 -1.05 0.00 0.00 32.46 30.11 1xkq n ARG 3 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1xkq n PHE 4 N -1.28 0.50 -2.00 2.89 3.72 -0.65 -5.03 117.46 115.61 1xkq n PHE 4 Ca 0.10 -1.18 -0.39 0.00 -0.05 0.00 0.00 57.45 55.93 1xkq n PHE 4 Cb 0.31 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 1xkq n PHE 4 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1xkq s SER 5 N -2.60 6.19 -1.44 4.37 0.15 -1.21 -2.04 113.70 117.11 1xkq s SER 5 Ca 0.39 2.71 0.00 0.00 0.70 0.00 0.00 55.95 59.74 1xkq s SER 5 Cb 0.34 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 1xkq s SER 5 CO 0.02 -0.94 0.00 0.59 1.20 0.00 0.00 173.24 174.11 1xkq n ASN 6 N 0.02 -4.63 -4.29 5.45 4.13 -1.25 -4.98 115.26 109.71 1xkq n ASN 6 Ca 0.04 0.27 -0.32 0.00 1.68 0.00 0.00 54.58 56.25 1xkq n ASN 6 Cb 0.43 -3.48 -0.16 0.00 -1.54 0.00 0.00 39.78 35.03 1xkq n ASN 6 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1xkq s LYS 7 N -3.56 2.58 -0.19 3.52 -0.14 -0.87 -5.04 119.74 116.05 1xkq s LYS 7 Ca 0.00 -0.88 -0.03 0.00 -1.36 0.00 0.00 55.97 53.70 1xkq s LYS 7 Cb 0.00 -2.20 -0.01 0.00 -1.68 0.00 0.00 37.83 33.94 1xkq s LYS 7 CO 0.00 0.39 -0.06 0.95 -0.76 0.00 0.00 175.35 175.88 1xkq s THR 8 N -0.19 3.41 -0.06 2.17 -4.23 -1.26 -0.06 115.64 115.41 1xkq s THR 8 Ca -0.03 -0.50 0.05 0.00 -1.18 0.00 0.00 61.69 60.03 1xkq s THR 8 Cb -0.14 -2.52 -0.00 0.00 1.34 0.00 0.00 72.50 71.18 1xkq s THR 8 CO 0.03 0.45 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.66 1xkq s VAL 9 N 1.06 1.83 -0.24 2.29 1.01 0.20 -1.31 120.40 125.23 1xkq s VAL 9 Ca 0.01 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 1xkq s VAL 9 Cb -0.15 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 1xkq s VAL 9 CO -0.00 0.51 0.14 -0.63 0.00 0.00 0.00 175.10 175.12 1xkq s ILE 10 N 0.06 5.14 -0.35 2.22 1.01 -0.63 -0.83 121.20 127.83 1xkq s ILE 10 Ca -0.08 0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.69 1xkq s ILE 10 Cb -0.14 -3.40 0.09 0.00 0.01 0.00 0.00 42.46 39.02 1xkq s ILE 10 CO 0.05 0.34 0.07 -0.63 0.00 0.00 0.00 174.94 174.77 1xkq s ILE 11 N 1.16 2.69 0.49 2.92 -1.09 -0.79 -0.93 121.20 125.66 1xkq s ILE 11 Ca 0.07 -2.03 -0.20 0.00 -2.23 0.00 0.00 60.65 56.26 1xkq s ILE 11 Cb -0.14 -2.83 -0.08 0.00 -1.58 0.00 0.00 42.46 37.83 1xkq s ILE 11 CO 0.05 -0.49 1.02 0.42 -1.23 0.00 0.00 174.94 174.71 1xkq s THR 12 N 1.05 3.95 -1.09 2.92 -4.23 -0.86 -3.63 115.64 113.75 1xkq s THR 12 Ca 0.05 1.17 -0.06 0.00 -1.18 0.00 0.00 61.69 61.67 1xkq s THR 12 Cb -0.20 -3.49 0.01 0.00 1.34 0.00 0.00 72.50 70.16 1xkq s THR 12 CO -0.05 -0.30 0.95 0.61 -0.54 0.00 0.00 174.62 175.28 1xkq n GLY 13 N -0.46 -0.26 1.50 3.99 0.00 -1.17 -2.88 105.19 105.91 1xkq n GLY 13 Ca 0.09 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.26 4.41 -0.21 1.61 3.41 -0.57 -3.65 113.62 116.36 1xkq n SER 14 Ca -0.03 -2.24 0.14 0.00 -0.26 0.00 0.00 58.87 56.48 1xkq n SER 14 Cb 0.56 -0.54 0.64 0.00 -0.26 0.00 0.00 64.21 64.61 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 1.39 0.73 -3.69 4.04 3.41 -1.22 -3.46 113.62 114.81 1xkq n SER 15 Ca 0.25 -0.98 -0.05 0.00 -0.26 0.00 0.00 58.87 57.83 1xkq n SER 15 Cb 0.77 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.69 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 -2.22 -0.23 0.36 4.04 2.47 -1.26 -4.31 114.94 113.78 1xkq s ASN 16 Ca 0.36 -0.31 0.00 0.00 0.42 0.00 0.00 52.86 53.32 1xkq s ASN 16 Cb 0.21 0.48 0.00 0.00 -1.45 0.00 0.00 41.25 40.49 1xkq s ASN 16 CO 0.41 -0.86 0.00 0.61 -3.72 0.00 0.00 177.10 173.54 1xkq n GLY 17 N -0.42 1.73 0.31 1.21 0.00 -1.26 -2.48 105.19 104.28 1xkq n GLY 17 Ca -0.07 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 0.58 -0.66 -0.61 2.04 -1.88 -1.89 117.51 115.09 1xkq h ILE 18 Ca 0.00 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1xkq h ILE 18 Cb 0.00 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.10 1xkq h ILE 18 CO 0.00 0.09 0.37 1.23 0.00 0.00 0.00 178.15 179.83 1xkq h GLY 19 N 0.48 0.99 0.98 5.37 0.00 -1.60 -0.82 103.07 108.47 1xkq h GLY 19 Ca 0.51 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 1xkq h GLY 19 CO -0.46 0.43 -0.02 -0.09 0.00 0.00 0.00 176.54 176.40 1xkq h ARG 20 N 0.91 -0.06 -0.71 4.80 2.43 -1.03 -1.15 114.38 119.56 1xkq h ARG 20 Ca 0.23 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.36 1xkq h ARG 20 Cb 0.04 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1xkq h ARG 20 CO -0.04 -0.02 0.27 1.15 -1.51 0.00 0.00 179.97 179.82 1xkq h THR 21 N -0.09 1.25 -0.37 0.20 2.02 -1.38 -1.49 112.91 113.05 1xkq h THR 21 Ca -0.01 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 1xkq h THR 21 Cb 0.07 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1xkq h THR 21 CO 0.01 0.32 0.21 0.74 0.37 0.00 0.00 175.52 177.17 1xkq h THR 22 N 1.02 1.14 -0.42 3.16 2.02 -1.00 -0.33 112.91 118.50 1xkq h THR 22 Ca 0.23 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1xkq h THR 22 Cb 0.24 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1xkq h THR 22 CO -0.02 0.14 0.28 0.00 0.37 0.00 0.00 175.52 176.29 1xkq h ALA 23 N 1.07 0.53 0.00 6.16 0.00 -1.02 -0.67 119.26 125.35 1xkq h ALA 23 Ca 0.13 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1xkq h ALA 23 Cb 0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1xkq h ALA 23 CO -0.02 -0.01 -0.22 0.82 0.00 0.00 0.00 179.25 179.82 1xkq h ILE 24 N 0.57 0.49 -0.77 0.00 2.04 -0.85 -0.81 117.51 118.18 1xkq h ILE 24 Ca 0.15 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 1xkq h ILE 24 Cb -0.06 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.47 1xkq h ILE 24 CO -0.03 0.00 0.43 -0.07 0.00 0.00 0.00 178.15 178.48 1xkq h LEU 25 N -0.35 0.95 0.10 1.44 3.38 -0.81 0.27 115.31 120.30 1xkq h LEU 25 Ca 0.06 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xkq h LEU 25 Cb 0.42 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1xkq h LEU 25 CO -0.20 0.76 -0.05 -0.26 0.09 0.00 0.00 178.44 178.79 1xkq h PHE 26 N 1.06 -0.12 -0.79 1.13 0.04 -0.83 -1.17 116.94 116.26 1xkq h PHE 26 Ca 0.27 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.04 1xkq h PHE 26 Cb 0.02 0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.17 1xkq h PHE 26 CO -0.00 -0.08 0.49 0.00 -0.60 0.00 0.00 178.31 178.12 1xkq h ALA 27 N 0.77 1.00 -0.00 2.45 0.00 -0.92 -0.28 119.26 122.28 1xkq h ALA 27 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xkq h ALA 27 Cb 0.10 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1xkq h ALA 27 CO 0.02 0.45 0.00 0.37 0.00 0.00 0.00 179.25 180.09 1xkq h GLN 28 N 1.07 0.00 -0.77 0.00 4.15 -0.05 -1.99 115.11 117.52 1xkq h GLN 28 Ca 0.28 0.00 -0.39 0.00 0.77 0.00 0.00 58.65 59.32 1xkq h GLN 28 Cb -0.07 0.00 -0.23 0.00 0.21 0.00 0.00 27.48 27.39 1xkq h GLN 28 CO -0.06 0.00 0.39 0.39 -1.93 0.00 0.00 178.83 177.63 1xkq n GLU 29 N -3.64 2.23 -0.79 1.69 1.02 -0.16 -4.92 120.64 116.07 1xkq n GLU 29 Ca -0.03 -3.07 0.00 0.00 -0.02 0.00 0.00 57.16 54.04 1xkq n GLU 29 Cb 0.08 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 29.44 1xkq n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xkq n GLY 30 N -1.07 0.58 3.90 0.62 0.00 -0.75 -1.64 105.19 106.83 1xkq n GLY 30 Ca 0.50 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 3.69 0.01 4.61 0.00 -0.90 -3.74 121.76 123.42 1xkq s ALA 31 Ca 0.00 -0.52 -0.24 0.00 0.00 0.00 0.00 51.96 51.20 1xkq s ALA 31 Cb 0.00 -2.24 -0.05 0.00 0.00 0.00 0.00 23.12 20.83 1xkq s ALA 31 CO 0.00 0.48 0.75 -0.80 0.00 0.00 0.00 175.76 176.18 1xkq s ASN 32 N -2.71 7.14 -0.01 0.00 0.02 0.91 -4.35 114.94 115.94 1xkq s ASN 32 Ca 0.43 1.36 0.03 0.00 -1.02 0.00 0.00 52.86 53.66 1xkq s ASN 32 Cb -0.11 -2.45 -0.00 0.00 0.02 0.00 0.00 41.25 38.70 1xkq s ASN 32 CO 0.26 -0.03 -0.09 -0.69 0.02 0.00 0.00 177.10 176.56 1xkq s VAL 33 N 0.23 0.76 -0.29 1.60 1.01 0.94 0.59 120.40 125.24 1xkq s VAL 33 Ca 0.38 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 1xkq s VAL 33 Cb -0.20 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1xkq s VAL 33 CO 0.21 0.23 0.11 -0.89 0.00 0.00 0.00 175.10 174.76 1xkq s THR 34 N -0.05 4.33 0.03 3.92 2.01 -0.01 -0.22 115.64 125.65 1xkq s THR 34 Ca 0.01 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.58 1xkq s THR 34 Cb -0.06 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1xkq s THR 34 CO -0.00 0.15 0.12 0.27 -0.69 0.00 0.00 174.62 174.47 1xkq s ILE 35 N 1.58 4.92 0.06 1.82 -0.00 0.13 -1.88 121.20 127.83 1xkq s ILE 35 Ca 0.05 -0.45 -0.18 0.00 -0.00 0.00 0.00 60.65 60.06 1xkq s ILE 35 Cb -0.17 -3.32 0.04 0.00 -0.00 0.00 0.00 42.46 39.02 1xkq s ILE 35 CO 0.04 0.25 0.42 0.28 -0.00 0.00 0.00 174.94 175.94 1xkq s THR 36 N -1.32 0.05 -1.15 8.37 -1.32 -1.24 -0.80 115.64 118.23 1xkq s THR 36 Ca 0.27 -0.45 0.00 0.00 -1.21 0.00 0.00 61.69 60.30 1xkq s THR 36 Cb -0.12 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 1xkq s THR 36 CO 0.19 -0.25 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 1xkq n GLY 37 N 0.34 -1.49 0.12 6.08 0.00 -1.12 -1.52 105.19 107.60 1xkq n GLY 37 Ca -0.18 -1.07 -0.16 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.21 0.69 -2.64 1.61 3.00 -1.24 -0.93 116.66 116.94 1xkq n ARG 38 Ca 0.00 0.21 -0.42 0.00 -0.01 0.00 0.00 57.85 57.63 1xkq n ARG 38 Cb 0.00 -1.67 -0.03 0.00 0.00 0.00 0.00 32.46 30.76 1xkq n ARG 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1xkq s SER 39 N -6.47 6.20 0.36 0.55 0.15 -1.26 -4.80 113.70 108.43 1xkq s SER 39 Ca -0.19 -0.52 0.04 0.00 0.70 0.00 0.00 55.95 55.98 1xkq s SER 39 Cb 0.07 -2.52 0.70 0.00 -1.71 0.00 0.00 66.02 62.56 1xkq s SER 39 CO 0.76 -1.69 2.01 0.77 1.20 0.00 0.00 173.24 176.29 1xkq h SER 40 N 9.85 0.67 -0.17 5.45 4.64 -1.98 0.15 113.55 132.15 1xkq h SER 40 Ca -0.28 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.02 1xkq h SER 40 Cb 1.06 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 1xkq h SER 40 CO 1.24 0.48 0.09 -0.08 -0.87 0.00 0.00 176.83 177.68 1xkq h GLU 41 N 0.79 0.25 -0.03 4.77 4.81 -1.99 0.15 114.58 123.33 1xkq h GLU 41 Ca 0.23 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.30 1xkq h GLU 41 Cb -0.04 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1xkq h GLU 41 CO -0.05 0.28 -0.56 0.00 -0.73 0.00 0.00 179.01 177.94 1xkq h ARG 42 N 0.16 0.08 -0.45 1.92 3.08 -1.72 -1.93 114.38 115.53 1xkq h ARG 42 Ca 0.06 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 1xkq h ARG 42 Cb 0.11 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1xkq h ARG 42 CO -0.01 0.62 0.02 1.25 -1.07 0.00 0.00 179.97 180.78 1xkq h LEU 43 N 0.06 0.76 -1.50 3.04 5.85 -0.33 -2.00 115.31 121.18 1xkq h LEU 43 Ca -0.00 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 1xkq h LEU 43 Cb 1.01 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1xkq h LEU 43 CO 0.08 0.87 -0.12 -0.08 -0.34 0.00 0.00 178.44 178.85 1xkq h GLU 44 N 0.62 0.18 -0.40 1.25 4.57 -0.53 -2.00 114.58 118.26 1xkq h GLU 44 Ca 0.13 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.32 1xkq h GLU 44 Cb 0.47 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.98 1xkq h GLU 44 CO 0.02 0.31 0.14 1.49 -1.18 0.00 0.00 179.01 179.78 1xkq h GLU 45 N 0.17 0.29 -0.40 1.92 4.57 -0.63 -1.20 114.58 119.30 1xkq h GLU 45 Ca 0.04 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 1xkq h GLU 45 Cb 0.32 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 1xkq h GLU 45 CO 0.02 0.19 0.15 1.15 -1.18 0.00 0.00 179.01 179.33 1xkq h THR 46 N 0.30 1.21 -0.56 0.32 2.02 -0.93 -2.69 112.91 112.58 1xkq h THR 46 Ca 0.19 -0.65 0.02 0.00 0.77 0.00 0.00 66.41 66.73 1xkq h THR 46 Cb 0.18 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1xkq h THR 46 CO -0.20 0.23 0.35 -0.09 0.37 0.00 0.00 175.52 176.18 1xkq h ARG 47 N 0.51 0.67 -0.70 6.66 2.43 -0.96 -2.17 114.38 120.82 1xkq h ARG 47 Ca 0.13 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1xkq h ARG 47 Cb 0.22 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 1xkq h ARG 47 CO -0.01 0.44 0.45 1.96 -1.51 0.00 0.00 179.97 181.31 1xkq h GLN 48 N 0.69 0.89 -0.41 0.20 1.08 -1.14 0.16 115.11 116.58 1xkq h GLN 48 Ca 0.22 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.40 1xkq h GLN 48 Cb -0.01 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.19 1xkq h GLN 48 CO -0.08 0.59 0.20 0.82 -0.95 0.00 0.00 178.83 179.41 1xkq h ILE 49 N 0.92 0.97 0.01 2.54 2.04 -1.10 0.83 117.51 123.71 1xkq h ILE 49 Ca 0.26 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 1xkq h ILE 49 Cb -0.07 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1xkq h ILE 49 CO -0.07 0.07 -0.01 0.40 0.00 0.00 0.00 178.15 178.55 1xkq h ILE 50 N 0.41 1.05 -0.83 -0.67 2.04 -0.84 -2.86 117.51 115.81 1xkq h ILE 50 Ca 0.18 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1xkq h ILE 50 Cb 0.09 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1xkq h ILE 50 CO -0.13 0.04 0.53 -0.07 0.00 0.00 0.00 178.15 178.53 1xkq h LEU 51 N -0.09 0.97 -1.82 1.44 4.07 -0.23 -1.21 115.31 118.44 1xkq h LEU 51 Ca -0.00 -0.04 0.07 0.00 0.08 0.00 0.00 57.88 57.99 1xkq h LEU 51 Cb 0.08 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 1xkq h LEU 51 CO 0.00 0.72 0.48 0.11 -1.08 0.00 0.00 178.44 178.67 1xkq h LYS 52 N 1.13 0.00 0.00 1.13 1.57 0.91 -3.38 116.57 117.93 1xkq h LYS 52 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1xkq h LYS 52 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1xkq h LYS 52 CO -0.06 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.25 1xkq n SER 53 N -3.27 0.00 -1.25 0.86 7.64 -0.46 -4.93 113.62 112.21 1xkq n SER 53 Ca 0.04 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.04 1xkq n SER 53 Cb 0.60 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 64.07 1xkq n SER 53 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xkq n GLY 54 N 4.58 2.17 3.70 0.23 0.00 -1.26 -4.96 105.19 109.66 1xkq n GLY 54 Ca 0.00 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.20 4.01 0.50 1.61 1.01 -1.26 -5.02 120.40 120.06 1xkq s VAL 55 Ca 0.44 1.41 -0.20 0.00 0.00 0.00 0.00 61.98 63.63 1xkq s VAL 55 Cb 0.24 -3.91 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 1xkq s VAL 55 CO 0.32 0.06 1.06 -0.55 0.00 0.00 0.00 175.10 176.00 1xkq s SER 56 N 1.30 6.16 0.39 3.32 0.15 -1.26 -4.41 113.70 119.34 1xkq s SER 56 Ca 0.59 1.99 0.28 0.00 0.70 0.00 0.00 55.95 59.51 1xkq s SER 56 Cb -0.29 -2.56 1.33 0.00 -1.71 0.00 0.00 66.02 62.79 1xkq s SER 56 CO 0.27 -0.91 1.84 1.05 1.20 0.00 0.00 173.24 176.68 1xkq h GLU 57 N 1.43 0.00 0.00 5.44 4.11 -1.95 -1.82 114.58 121.78 1xkq h GLU 57 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1xkq h GLU 57 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1xkq h GLU 57 CO 0.58 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.29 1xkq n LYS 58 N -2.50 0.19 0.00 1.06 4.76 -1.26 -2.42 118.16 117.99 1xkq n LYS 58 Ca -0.00 0.26 0.13 0.00 -2.87 0.00 0.00 58.31 55.82 1xkq n LYS 58 Cb 0.14 -1.76 0.26 0.00 -1.84 0.00 0.00 35.03 31.83 1xkq n LYS 58 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1xkq n GLN 59 N -2.10 1.38 -4.75 1.97 3.00 -0.68 -4.86 117.38 111.34 1xkq n GLN 59 Ca 0.04 -0.98 -0.32 0.00 -0.01 0.00 0.00 57.00 55.73 1xkq n GLN 59 Cb 0.33 -1.48 -0.17 0.00 0.00 0.00 0.00 30.24 28.93 1xkq n GLN 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1xkq s VAL 60 N -2.30 1.94 -0.23 5.09 -7.23 -1.02 -0.04 120.40 116.62 1xkq s VAL 60 Ca 0.26 -0.92 0.02 0.00 -1.81 0.00 0.00 61.98 59.53 1xkq s VAL 60 Cb 0.19 -1.72 0.04 0.00 0.56 0.00 0.00 36.38 35.46 1xkq s VAL 60 CO 0.45 0.53 -0.14 0.21 -0.31 0.00 0.00 175.10 175.85 1xkq s ASN 61 N 0.74 3.94 -0.21 4.85 2.47 0.70 -4.95 114.94 122.48 1xkq s ASN 61 Ca -0.10 -1.06 -0.12 0.00 0.42 0.00 0.00 52.86 52.01 1xkq s ASN 61 Cb -0.16 -1.54 -0.05 0.00 -1.45 0.00 0.00 41.25 38.06 1xkq s ASN 61 CO 0.01 -0.11 0.21 -0.44 -3.72 0.00 0.00 177.10 173.04 1xkq s SER 62 N 1.20 6.25 -0.18 -4.21 0.01 -1.26 0.17 113.70 115.67 1xkq s SER 62 Ca -0.03 0.27 -0.00 0.00 1.31 0.00 0.00 55.95 57.51 1xkq s SER 62 Cb -0.17 -2.13 0.05 0.00 0.21 0.00 0.00 66.02 63.98 1xkq s SER 62 CO -0.08 0.09 -0.05 -0.69 0.41 0.00 0.00 173.24 172.92 1xkq s VAL 63 N 0.77 1.21 -0.40 3.43 1.01 0.02 -4.97 120.40 121.48 1xkq s VAL 63 Ca 0.11 -0.78 -0.26 0.00 0.00 0.00 0.00 61.98 61.05 1xkq s VAL 63 Cb -0.13 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1xkq s VAL 63 CO 0.03 0.07 0.92 -0.69 0.00 0.00 0.00 175.10 175.42 1xkq s VAL 64 N 1.58 4.56 0.06 2.92 1.01 -1.26 -2.78 120.40 126.48 1xkq s VAL 64 Ca -0.01 1.02 -0.26 0.00 0.00 0.00 0.00 61.98 62.73 1xkq s VAL 64 Cb -0.16 -4.36 0.09 0.00 0.00 0.00 0.00 36.38 31.94 1xkq s VAL 64 CO -0.07 -0.63 0.74 0.00 0.00 0.00 0.00 175.10 175.14 1xkq s ALA 65 N 3.55 -1.72 -0.29 5.51 0.00 -0.11 -4.96 121.76 123.74 1xkq s ALA 65 Ca 0.37 0.82 -0.16 0.00 0.00 0.00 0.00 51.96 52.99 1xkq s ALA 65 Cb -0.11 0.56 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 1xkq s ALA 65 CO 0.21 -0.69 0.44 0.34 0.00 0.00 0.00 175.76 176.06 1xkq s ASP 66 N -2.45 6.31 0.00 0.00 -1.08 -1.26 -3.72 116.67 114.47 1xkq s ASP 66 Ca 0.02 0.24 0.21 0.00 -0.52 0.00 0.00 52.55 52.49 1xkq s ASP 66 Cb -0.01 -2.24 1.12 0.00 -1.46 0.00 0.00 42.92 40.34 1xkq s ASP 66 CO -0.09 -0.29 1.66 0.55 0.52 0.00 0.00 175.17 177.52 1xkq n VAL 67 N 5.20 0.24 0.62 1.11 3.14 -1.26 -2.81 118.33 124.58 1xkq n VAL 67 Ca -0.07 0.06 0.12 0.00 -2.96 0.00 0.00 64.34 61.49 1xkq n VAL 67 Cb 0.50 -0.72 0.11 0.00 -1.06 0.00 0.00 33.84 32.67 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 -1.18 0.23 -3.77 1.55 -2.24 -1.26 -4.63 114.28 102.97 1xkq n THR 68 Ca 0.12 -0.23 -0.29 0.00 -2.27 0.00 0.00 64.05 61.39 1xkq n THR 68 Cb 0.13 0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.41 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 -3.16 5.25 0.15 4.28 -4.23 -1.12 -4.92 115.64 111.89 1xkq s THR 69 Ca 0.06 -0.34 -0.17 0.00 -1.18 0.00 0.00 61.69 60.06 1xkq s THR 69 Cb 0.14 -3.69 -0.00 0.00 1.34 0.00 0.00 72.50 70.29 1xkq s THR 69 CO 0.76 -0.06 1.76 -0.33 -0.54 0.00 0.00 174.62 176.21 1xkq h GLU 70 N 2.40 0.29 -0.36 3.99 4.39 -1.91 -0.79 114.58 122.59 1xkq h GLU 70 Ca -0.47 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.20 1xkq h GLU 70 Cb 1.18 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 1xkq h GLU 70 CO 0.71 0.19 0.18 -0.44 -1.16 0.00 0.00 179.01 178.49 1xkq h ASP 71 N 0.30 0.46 -0.15 1.42 5.19 -1.95 -0.13 116.42 121.56 1xkq h ASP 71 Ca 0.14 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1xkq h ASP 71 Cb 0.08 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 1xkq h ASP 71 CO -0.12 0.44 0.09 1.23 -3.12 0.00 0.00 179.24 177.76 1xkq h GLY 72 N 0.44 0.21 0.88 2.75 0.00 -1.63 0.02 103.07 105.74 1xkq h GLY 72 Ca 0.12 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.41 1xkq h GLY 72 CO -0.02 0.07 0.59 1.46 0.00 0.00 0.00 176.54 178.64 1xkq h GLN 73 N 0.19 1.11 -0.44 4.80 4.20 -0.98 -2.23 115.11 121.76 1xkq h GLN 73 Ca 0.06 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 1xkq h GLN 73 Cb -0.02 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 1xkq h GLN 73 CO -0.02 0.73 -0.08 -0.44 -0.67 0.00 0.00 178.83 178.35 1xkq h ASP 74 N 1.14 0.83 -0.66 1.46 3.32 -0.57 -2.71 116.42 119.22 1xkq h ASP 74 Ca 0.36 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1xkq h ASP 74 Cb -0.00 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 1xkq h ASP 74 CO -0.12 0.99 0.43 1.56 -1.72 0.00 0.00 179.24 180.38 1xkq h GLN 75 N 0.66 0.88 0.00 3.56 1.08 -0.69 -0.16 115.11 120.45 1xkq h GLN 75 Ca 0.11 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1xkq h GLN 75 Cb 0.61 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 1xkq h GLN 75 CO 0.04 0.60 -0.03 0.82 -0.95 0.00 0.00 178.83 179.30 1xkq h ILE 76 N 0.90 0.91 0.53 2.54 2.04 -1.34 -0.93 117.51 122.16 1xkq h ILE 76 Ca 0.24 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.08 1xkq h ILE 76 Cb -0.08 0.91 0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1xkq h ILE 76 CO -0.05 0.00 -0.25 0.40 0.00 0.00 0.00 178.15 178.25 1xkq h ILE 77 N -0.06 0.32 -1.00 -0.67 1.08 -1.29 -2.90 117.51 112.98 1xkq h ILE 77 Ca 0.01 -0.40 0.02 0.00 -0.39 0.00 0.00 64.86 64.10 1xkq h ILE 77 Cb 0.08 0.45 -0.05 0.00 -3.07 0.00 0.00 36.82 34.22 1xkq h ILE 77 CO -0.03 0.05 0.66 0.78 -0.69 0.00 0.00 178.15 178.92 1xkq h ASN 78 N -1.01 1.13 0.24 1.72 -0.26 -1.08 -1.00 115.58 115.33 1xkq h ASN 78 Ca -0.07 -0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 55.55 1xkq h ASN 78 Cb 0.62 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.60 1xkq h ASN 78 CO 0.12 0.80 -0.37 0.77 -1.06 0.00 0.00 177.43 177.69 1xkq h SER 79 N 1.33 0.19 -0.35 5.81 4.64 -1.26 0.10 113.55 124.01 1xkq h SER 79 Ca 0.38 -0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 61.59 1xkq h SER 79 Cb -0.09 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1xkq h SER 79 CO -0.10 0.55 0.06 0.74 -0.87 0.00 0.00 176.83 177.22 1xkq h THR 80 N 0.16 1.23 -0.38 2.95 2.02 -1.08 -0.70 112.91 117.12 1xkq h THR 80 Ca 0.02 -0.82 -0.13 0.00 0.77 0.00 0.00 66.41 66.25 1xkq h THR 80 Cb 0.73 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1xkq h THR 80 CO 0.06 0.27 -0.27 -0.07 0.37 0.00 0.00 175.52 175.88 1xkq h LEU 81 N 0.41 0.82 -0.09 2.58 3.38 -0.90 -0.66 115.31 120.85 1xkq h LEU 81 Ca 0.11 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1xkq h LEU 81 Cb 0.34 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1xkq h LEU 81 CO 0.01 1.05 0.05 0.11 0.09 0.00 0.00 178.44 179.74 1xkq h LYS 82 N 0.68 0.13 0.13 1.13 1.79 -0.60 0.16 116.57 119.99 1xkq h LYS 82 Ca 0.08 -0.02 -0.28 0.00 -2.18 0.00 0.00 60.65 58.26 1xkq h LYS 82 Cb 0.81 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 1xkq h LYS 82 CO 0.07 0.20 -1.26 0.37 -1.08 0.00 0.00 179.45 177.75 1xkq h GLN 83 N 0.03 0.27 0.00 3.15 4.15 -1.12 -3.39 115.11 118.21 1xkq h GLN 83 Ca 0.03 -0.47 0.00 0.00 0.77 0.00 0.00 58.65 58.98 1xkq h GLN 83 Cb 0.11 0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.97 1xkq h GLN 83 CO -0.00 1.22 -0.60 1.19 -1.93 0.00 0.00 178.83 178.71 1xkq n PHE 84 N -3.53 0.00 -0.84 3.99 3.72 -0.26 -5.01 117.46 115.53 1xkq n PHE 84 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1xkq n PHE 84 Cb 1.03 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.53 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 1.35 1.06 3.80 1.37 0.00 0.54 -4.95 105.19 108.36 1xkq n GLY 85 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.11 0.90 -0.08 1.61 -2.85 -1.26 -4.98 119.74 112.96 1xkq s LYS 86 Ca 0.00 -0.54 -0.02 0.00 -1.00 0.00 0.00 55.97 54.40 1xkq s LYS 86 Cb 0.00 0.27 0.04 0.00 -2.06 0.00 0.00 37.83 36.08 1xkq s LYS 86 CO 0.00 -0.42 0.04 0.42 0.10 0.00 0.00 175.35 175.49 1xkq s ILE 87 N -2.48 0.17 -0.23 3.79 1.01 -1.26 -4.62 121.20 117.59 1xkq s ILE 87 Ca 0.19 0.12 0.08 0.00 0.00 0.00 0.00 60.65 61.04 1xkq s ILE 87 Cb -0.00 -0.46 -0.20 0.00 0.01 0.00 0.00 42.46 41.81 1xkq s ILE 87 CO 0.01 0.12 -0.11 0.47 0.00 0.00 0.00 174.94 175.43 1xkq n ASP 88 N 5.21 1.27 -3.77 3.58 8.00 -0.43 -4.30 116.55 126.10 1xkq n ASP 88 Ca -0.06 -0.08 -0.13 0.00 0.71 0.00 0.00 54.79 55.23 1xkq n ASP 88 Cb 0.50 0.15 -0.10 0.00 -0.02 0.00 0.00 41.12 41.64 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 -2.50 0.02 -0.09 2.53 0.11 -1.04 -0.37 120.40 119.07 1xkq s VAL 89 Ca -0.25 -0.17 0.05 0.00 -2.93 0.00 0.00 61.98 58.68 1xkq s VAL 89 Cb 0.08 -0.48 -0.00 0.00 -1.53 0.00 0.00 36.38 34.44 1xkq s VAL 89 CO 0.68 -0.09 -0.24 -0.22 -3.33 0.00 0.00 175.10 171.89 1xkq s LEU 90 N -0.33 2.08 -0.30 2.54 2.96 -0.49 -1.60 118.68 123.54 1xkq s LEU 90 Ca -0.05 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.34 1xkq s LEU 90 Cb -0.03 -1.39 0.07 0.00 0.50 0.00 0.00 46.19 45.34 1xkq s LEU 90 CO 0.02 0.19 -0.02 0.54 -1.32 0.00 0.00 176.35 175.75 1xkq s VAL 91 N 0.18 2.50 -1.09 1.68 0.11 -0.10 -0.89 120.40 122.78 1xkq s VAL 91 Ca -0.14 -1.76 -0.20 0.00 -2.93 0.00 0.00 61.98 56.95 1xkq s VAL 91 Cb -0.17 -2.56 0.09 0.00 -1.53 0.00 0.00 36.38 32.21 1xkq s VAL 91 CO 0.07 -0.23 1.45 0.20 -3.33 0.00 0.00 175.10 173.26 1xkq s ASN 92 N 1.16 6.68 -0.21 3.54 0.01 -0.24 -2.04 114.94 123.83 1xkq s ASN 92 Ca -0.02 -2.00 0.12 0.00 -0.71 0.00 0.00 52.86 50.24 1xkq s ASN 92 Cb -0.20 -2.52 -0.21 0.00 0.41 0.00 0.00 41.25 38.73 1xkq s ASN 92 CO -0.05 -1.24 -0.04 -3.20 -1.51 0.00 0.00 177.10 171.06 1xkq n ASN 93 N 7.90 0.86 -4.61 -1.22 5.15 -1.25 -1.35 115.26 120.74 1xkq n ASN 93 Ca 0.35 -0.05 -0.48 0.00 -0.60 0.00 0.00 54.58 53.80 1xkq n ASN 93 Cb 0.48 0.47 -0.04 0.00 -0.53 0.00 0.00 39.78 40.17 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 -2.91 -0.18 -3.64 5.20 0.00 -1.14 -4.86 120.51 112.98 1xkq n ALA 94 Ca -0.37 0.46 -0.03 0.00 0.00 0.00 0.00 53.44 53.51 1xkq n ALA 94 Cb 1.08 -2.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 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 0.21 -0.17 -0.22 0.00 0.00 -1.26 -4.75 107.32 101.12 1xkq s GLY 95 Ca 0.74 2.00 -0.28 0.00 0.00 0.00 0.00 44.72 47.18 1xkq s GLY 95 CO 0.50 0.69 1.06 0.00 0.00 0.00 0.00 173.10 175.35 1xkq s ALA 96 N -1.95 -1.98 -0.90 3.20 0.00 -1.26 -5.06 121.76 113.82 1xkq s ALA 96 Ca 0.11 1.71 -0.18 0.00 0.00 0.00 0.00 51.96 53.60 1xkq s ALA 96 Cb -0.01 -1.08 0.14 0.00 0.00 0.00 0.00 23.12 22.17 1xkq s ALA 96 CO -0.03 -0.27 1.05 0.00 0.00 0.00 0.00 175.76 176.51 1xkq s ALA 97 N -0.56 3.47 0.01 0.00 0.00 -1.26 -4.85 121.76 118.57 1xkq s ALA 97 Ca 0.01 -2.81 -0.30 0.00 0.00 0.00 0.00 51.96 48.86 1xkq s ALA 97 Cb -0.02 -3.95 -0.07 0.00 0.00 0.00 0.00 23.12 19.08 1xkq s ALA 97 CO -0.03 -2.85 1.63 0.42 0.00 0.00 0.00 175.76 174.93 1xkq s ILE 98 N 2.34 3.35 0.50 0.00 1.01 -1.26 -4.69 121.20 122.44 1xkq s ILE 98 Ca 0.29 0.65 -0.07 0.00 0.00 0.00 0.00 60.65 61.52 1xkq s ILE 98 Cb -0.07 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 1xkq s ILE 98 CO -0.08 -0.03 0.84 -2.16 0.00 0.00 0.00 174.94 173.51 1xkq s PRO 99 N 3.21 3.59 0.20 2.79 0.04 -1.26 -4.99 135.00 138.57 1xkq s PRO 99 Ca 0.73 0.35 -0.29 0.00 0.04 0.00 0.00 61.00 61.83 1xkq s PRO 99 Cb -0.36 -2.31 -0.08 0.00 0.04 0.00 0.00 34.50 31.78 1xkq s PRO 99 CO 0.31 -0.26 0.92 -0.51 0.04 0.00 0.00 177.00 177.49 1xkq s ASP 100 N -3.99 7.57 0.56 6.66 1.11 -1.26 -4.93 116.67 122.39 1xkq s ASP 100 Ca 0.50 1.86 0.25 0.00 0.18 0.00 0.00 52.55 55.34 1xkq s ASP 100 Cb -0.10 -2.59 1.52 0.00 1.07 0.00 0.00 42.92 42.82 1xkq s ASP 100 CO 0.45 0.12 2.11 0.00 1.18 0.00 0.00 175.17 179.03 1xkq h ALA 101 N 4.51 1.97 -0.63 5.23 0.00 -1.97 0.32 119.26 128.69 1xkq h ALA 101 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xkq h ALA 101 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1xkq h ALA 101 CO 0.69 -0.26 0.00 1.19 0.00 0.00 0.00 179.25 180.87 1xkq n PHE 102 N -4.12 1.57 -1.09 0.00 3.72 -1.26 -4.94 117.46 111.35 1xkq n PHE 102 Ca 0.02 -0.61 -0.03 0.00 -0.05 0.00 0.00 57.45 56.78 1xkq n PHE 102 Cb 0.29 -0.29 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 1xkq n PHE 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xkq n GLY 103 N 1.06 0.42 3.76 1.37 0.00 0.10 -4.97 105.19 106.92 1xkq n GLY 103 Ca 0.26 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1xkq n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xkq s THR 104 N -1.53 2.63 0.32 2.61 -4.23 -1.26 -4.91 115.64 109.27 1xkq s THR 104 Ca 0.00 0.44 0.04 0.00 -1.18 0.00 0.00 61.69 60.98 1xkq s THR 104 Cb 0.00 -3.20 -0.04 0.00 1.34 0.00 0.00 72.50 70.60 1xkq s THR 104 CO 0.00 -0.04 0.16 0.42 -0.54 0.00 0.00 174.62 174.62 1xkq s THR 105 N -1.51 0.34 0.00 3.99 -4.23 -1.26 -4.44 115.64 108.53 1xkq s THR 105 Ca 0.72 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1xkq s THR 105 Cb -0.32 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.02 1xkq s THR 105 CO 0.37 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 1xkq n GLY 106 N -0.62 -1.12 0.38 3.99 0.00 0.88 -3.60 105.19 105.10 1xkq n GLY 106 Ca 0.01 -1.21 0.20 0.00 0.00 0.00 0.00 46.02 45.01 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 0.53 0.00 2.61 2.02 -1.88 -1.72 112.91 114.46 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 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 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 -3.99 0.49 -4.75 4.18 8.00 -1.24 -4.80 116.55 114.44 1xkq n ASP 108 Ca 0.08 0.65 -0.42 0.00 0.71 0.00 0.00 54.79 55.81 1xkq n ASP 108 Cb 0.57 -0.74 -0.01 0.00 -0.02 0.00 0.00 41.12 40.92 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 -2.07 2.61 -1.15 -1.24 6.02 -0.65 -4.90 117.38 116.00 1xkq n GLN 109 Ca 0.01 0.92 -0.30 0.00 -0.01 0.00 0.00 57.00 57.62 1xkq n GLN 109 Cb 0.15 -2.65 0.13 0.00 1.02 0.00 0.00 30.24 28.89 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 0.07 1.65 0.48 1.08 0.00 -1.26 -4.92 107.32 104.42 1xkq s GLY 110 Ca 0.57 0.14 0.24 0.00 0.00 0.00 0.00 44.72 45.67 1xkq s GLY 110 CO 0.58 0.57 1.99 -2.22 0.00 0.00 0.00 173.10 174.03 1xkq h ILE 111 N -1.45 0.70 -0.45 0.90 1.08 -1.97 -2.25 117.51 114.07 1xkq h ILE 111 Ca -0.47 -0.74 -0.07 0.00 -0.39 0.00 0.00 64.86 63.20 1xkq h ILE 111 Cb 1.26 1.46 -0.02 0.00 -3.07 0.00 0.00 36.82 36.45 1xkq h ILE 111 CO 0.52 0.17 0.01 -2.24 -0.69 0.00 0.00 178.15 175.92 1xkq h ASP 112 N 0.00 0.70 0.33 1.72 2.03 -2.00 0.08 116.42 119.28 1xkq h ASP 112 Ca -0.00 -0.16 -0.16 0.00 -0.73 0.00 0.00 57.03 55.98 1xkq h ASP 112 Cb 0.44 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.75 1xkq h ASP 112 CO 0.02 0.76 -0.64 0.40 -1.03 0.00 0.00 179.24 178.76 1xkq h ILE 113 N 0.69 1.39 -0.17 4.15 1.08 -1.78 -2.05 117.51 120.81 1xkq h ILE 113 Ca 0.14 -2.04 -0.00 0.00 -0.39 0.00 0.00 64.86 62.57 1xkq h ILE 113 Cb 0.41 2.03 -0.01 0.00 -3.07 0.00 0.00 36.82 36.19 1xkq h ILE 113 CO 0.02 0.61 0.09 0.22 -0.69 0.00 0.00 178.15 178.39 1xkq h TYR 114 N 0.21 0.24 -0.14 1.37 3.20 -1.02 -0.86 116.97 119.97 1xkq h TYR 114 Ca -0.01 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1xkq h TYR 114 Cb 1.17 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 1xkq h TYR 114 CO 0.03 0.24 0.05 0.45 -1.64 0.00 0.00 178.16 177.29 1xkq h HIS 115 N 0.17 0.22 -0.47 -3.82 3.86 -0.91 -2.22 115.15 111.98 1xkq h HIS 115 Ca 0.06 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.18 1xkq h HIS 115 Cb 0.08 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 1xkq h HIS 115 CO -0.04 0.32 0.02 0.87 0.86 0.00 0.00 177.93 179.97 1xkq h LYS 116 N 0.06 0.76 -0.27 2.45 1.57 -1.34 -1.53 116.57 118.28 1xkq h LYS 116 Ca 0.05 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.53 1xkq h LYS 116 Cb 0.20 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1xkq h LYS 116 CO -0.00 0.76 -0.26 0.00 -0.57 0.00 0.00 179.45 179.37 1xkq h THR 117 N 0.72 1.31 -0.05 -0.16 1.03 -1.07 -3.01 112.91 111.67 1xkq h THR 117 Ca 0.15 -1.43 -0.17 0.00 -0.01 0.00 0.00 66.41 64.94 1xkq h THR 117 Cb 0.41 1.62 -0.01 0.00 -1.07 0.00 0.00 68.15 69.10 1xkq h THR 117 CO 0.01 0.45 -0.72 -0.07 -0.01 0.00 0.00 175.52 175.18 1xkq h LEU 118 N 0.38 0.35 -1.21 0.00 4.07 -1.36 -1.33 115.31 116.20 1xkq h LEU 118 Ca 0.04 -0.23 0.05 0.00 0.08 0.00 0.00 57.88 57.82 1xkq h LEU 118 Cb 0.83 -0.10 -0.05 0.00 1.08 0.00 0.00 40.66 42.41 1xkq h LEU 118 CO 0.07 0.95 0.55 0.50 -1.08 0.00 0.00 178.44 179.43 1xkq h LYS 119 N 0.20 0.96 0.00 1.13 3.64 -1.26 0.27 116.57 121.51 1xkq h LYS 119 Ca -0.03 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 1xkq h LYS 119 Cb 1.28 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1xkq h LYS 119 CO 0.12 0.64 -0.58 1.25 -2.27 0.00 0.00 179.45 178.60 1xkq h LEU 120 N 0.99 0.00 -0.82 5.20 5.85 -1.49 -1.56 115.31 123.48 1xkq h LEU 120 Ca 0.35 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1xkq h LEU 120 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1xkq h LEU 120 CO -0.12 0.96 0.00 0.78 -0.34 0.00 0.00 178.44 179.72 1xkq h ASN 121 N -1.00 0.00 0.00 1.25 2.35 -1.29 -3.35 115.58 113.54 1xkq h ASN 121 Ca -0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1xkq h ASN 121 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 1xkq h ASN 121 CO -0.06 0.00 -0.01 -0.11 -1.65 0.00 0.00 177.43 175.59 1xkq n LEU 122 N -2.86 0.84 -0.13 1.61 7.94 0.03 -4.73 117.00 119.71 1xkq n LEU 122 Ca 0.02 0.21 -0.05 0.00 -1.11 0.00 0.00 56.01 55.09 1xkq n LEU 122 Cb 0.36 -0.18 0.03 0.00 0.53 0.00 0.00 43.42 44.16 1xkq n LEU 122 CO 0.28 -0.76 0.94 -0.61 -1.11 0.00 0.00 177.39 176.13 1xkq h GLN 123 N 0.00 0.27 -0.94 1.96 4.15 -0.64 -2.03 115.11 117.89 1xkq h GLN 123 Ca 0.00 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.49 1xkq h GLN 123 Cb 0.01 -0.06 -0.07 0.00 0.21 0.00 0.00 27.48 27.57 1xkq h GLN 123 CO 0.00 0.18 0.59 0.00 -1.93 0.00 0.00 178.83 177.67 1xkq h ALA 124 N 1.28 1.34 -0.51 3.38 0.00 -1.41 -0.22 119.26 123.13 1xkq h ALA 124 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1xkq h ALA 124 Cb 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xkq h ALA 124 CO -0.21 0.29 0.14 0.28 0.00 0.00 0.00 179.25 179.75 1xkq h VAL 125 N 1.02 1.23 -0.18 0.00 2.07 -1.62 -0.27 116.25 118.50 1xkq h VAL 125 Ca 0.43 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1xkq h VAL 125 Cb 0.28 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1xkq h VAL 125 CO -0.21 0.29 0.10 0.40 0.02 0.00 0.00 177.57 178.18 1xkq h ILE 126 N 0.69 1.10 -0.45 4.57 2.04 -0.64 -1.17 117.51 123.66 1xkq h ILE 126 Ca 0.16 -0.26 -0.12 0.00 1.00 0.00 0.00 64.86 65.64 1xkq h ILE 126 Cb 0.30 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1xkq h ILE 126 CO -0.00 0.09 -0.19 -0.33 0.00 0.00 0.00 178.15 177.72 1xkq h GLU 127 N 0.19 0.92 -0.58 2.37 5.08 -0.96 -0.56 114.58 121.04 1xkq h GLU 127 Ca 0.06 -0.39 -0.04 0.00 -1.00 0.00 0.00 59.36 57.99 1xkq h GLU 127 Cb 0.06 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1xkq h GLU 127 CO -0.01 1.05 0.19 0.52 -1.00 0.00 0.00 179.01 179.76 1xkq h MET 128 N 0.75 0.87 -0.11 2.33 2.86 -0.98 0.34 114.93 121.00 1xkq h MET 128 Ca 0.10 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1xkq h MET 128 Cb 0.76 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.28 1xkq h MET 128 CO 0.06 0.74 0.03 1.15 1.06 0.00 0.00 176.91 179.95 1xkq h THR 129 N 0.84 1.20 -0.62 2.22 2.02 -0.95 -1.01 112.91 116.61 1xkq h THR 129 Ca 0.19 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 1xkq h THR 129 Cb 0.23 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 1xkq h THR 129 CO -0.01 0.18 0.36 0.11 0.37 0.00 0.00 175.52 176.52 1xkq h LYS 130 N -0.04 0.85 0.00 6.66 1.57 -0.81 -1.75 116.57 123.06 1xkq h LYS 130 Ca 0.03 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 1xkq h LYS 130 Cb 0.25 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1xkq h LYS 130 CO 0.00 0.63 -0.47 0.87 -0.57 0.00 0.00 179.45 179.91 1xkq h LYS 131 N 0.84 0.00 0.00 3.15 1.57 -0.79 -3.07 116.57 118.27 1xkq h LYS 131 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1xkq h LYS 131 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1xkq h LYS 131 CO -0.04 0.47 -0.90 1.33 -0.57 0.00 0.00 179.45 179.74 1xkq n VAL 132 N -3.94 0.36 -0.29 0.50 0.24 -0.39 -4.60 118.33 110.21 1xkq n VAL 132 Ca -0.01 -0.35 -0.09 0.00 -2.04 0.00 0.00 64.34 61.84 1xkq n VAL 132 Cb 0.50 -0.08 -0.08 0.00 -1.47 0.00 0.00 33.84 32.71 1xkq n VAL 132 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1xkq h LYS 133 N 0.00 -0.07 -0.56 7.34 3.64 -1.21 0.20 116.57 125.90 1xkq h LYS 133 Ca 0.00 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.55 1xkq h LYS 133 Cb 0.82 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 1xkq h LYS 133 CO 0.00 -0.05 0.42 -1.00 -2.27 0.00 0.00 179.45 176.55 1xkq h PRO 134 N -0.07 0.00 0.01 1.90 0.13 -1.81 0.19 132.00 132.35 1xkq h PRO 134 Ca 0.11 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.02 1xkq h PRO 134 Cb 0.36 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.46 1xkq h PRO 134 CO -0.69 0.00 -1.06 0.45 -0.23 0.00 0.00 178.00 176.47 1xkq h HIS 135 N 0.00 0.05 -0.04 1.56 3.86 -1.33 -2.67 115.15 116.58 1xkq h HIS 135 Ca 0.27 -0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.27 1xkq h HIS 135 Cb 1.10 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.55 1xkq h HIS 135 CO 0.00 1.03 -0.73 -0.07 0.86 0.00 0.00 177.93 179.01 1xkq h LEU 136 N 0.01 0.32 -1.02 2.43 3.38 0.45 -1.73 115.31 119.15 1xkq h LEU 136 Ca -0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1xkq h LEU 136 Cb 1.80 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.42 1xkq h LEU 136 CO 0.13 0.94 0.49 0.58 0.09 0.00 0.00 178.44 180.67 1xkq h VAL 137 N 0.18 1.24 -0.11 1.22 2.07 -0.70 0.94 116.25 121.09 1xkq h VAL 137 Ca -0.03 -0.57 -0.23 0.00 0.82 0.00 0.00 66.70 66.69 1xkq h VAL 137 Cb 1.30 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1xkq h VAL 137 CO 0.12 0.26 -0.84 0.00 0.02 0.00 0.00 177.57 177.13 1xkq h ALA 138 N 1.35 0.30 -0.00 1.67 0.00 -1.25 -3.22 119.26 118.11 1xkq h ALA 138 Ca 0.30 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1xkq h ALA 138 Cb -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xkq h ALA 138 CO -0.05 0.70 -0.40 -1.13 0.00 0.00 0.00 179.25 178.36 1xkq n SER 139 N -3.90 0.75 -3.72 0.00 3.41 -0.67 -4.93 113.62 104.56 1xkq n SER 139 Ca -0.08 -0.56 -0.24 0.00 -0.26 0.00 0.00 58.87 57.73 1xkq n SER 139 Cb 0.78 0.22 0.05 0.00 -0.26 0.00 0.00 64.21 65.00 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 -1.11 -6.02 0.00 4.33 4.76 0.31 -4.97 118.16 115.46 1xkq n LYS 140 Ca 0.08 0.69 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 1xkq n LYS 140 Cb 0.34 -5.53 0.00 0.00 -1.84 0.00 0.00 35.03 28.00 1xkq n LYS 140 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xkq n GLY 141 N -1.65 0.53 3.29 0.72 0.00 -0.51 -4.70 105.19 102.87 1xkq n GLY 141 Ca -0.11 -1.56 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 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 0.28 1.12 -0.02 1.61 8.01 0.50 -2.58 118.70 127.62 1xkq s GLU 142 Ca 0.00 -1.27 0.03 0.00 0.01 0.00 0.00 54.97 53.74 1xkq s GLU 142 Cb 0.00 0.34 -0.00 0.00 -4.31 0.00 0.00 34.13 30.16 1xkq s GLU 142 CO 0.00 -0.39 -0.12 0.42 0.01 0.00 0.00 175.26 175.18 1xkq s ILE 143 N -4.00 0.97 -0.18 -1.63 1.01 -0.28 -1.39 121.20 115.71 1xkq s ILE 143 Ca 0.20 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 1xkq s ILE 143 Cb 0.04 -0.83 0.05 0.00 0.01 0.00 0.00 42.46 41.73 1xkq s ILE 143 CO 0.02 0.28 -0.00 -0.69 0.00 0.00 0.00 174.94 174.55 1xkq s VAL 144 N -0.09 0.77 0.32 2.92 1.01 -0.07 -0.76 120.40 124.50 1xkq s VAL 144 Ca 0.01 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1xkq s VAL 144 Cb -0.07 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1xkq s VAL 144 CO 0.00 -0.06 0.54 0.20 0.00 0.00 0.00 175.10 175.78 1xkq s ASN 145 N 1.76 6.33 -0.28 3.32 0.01 -0.28 -1.08 114.94 124.73 1xkq s ASN 145 Ca -0.00 0.50 0.00 0.00 -0.71 0.00 0.00 52.86 52.65 1xkq s ASN 145 Cb -0.16 -2.05 0.05 0.00 0.41 0.00 0.00 41.25 39.50 1xkq s ASN 145 CO -0.07 -0.25 -0.06 -0.69 -1.51 0.00 0.00 177.10 174.52 1xkq s VAL 146 N -2.23 2.60 0.00 1.60 1.01 -0.45 -1.80 120.40 121.13 1xkq s VAL 146 Ca 0.41 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1xkq s VAL 146 Cb -0.10 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1xkq s VAL 146 CO 0.34 -0.04 0.00 -0.24 0.00 0.00 0.00 175.10 175.16 1xkq n SER 147 N 4.54 0.00 -3.63 3.32 2.88 0.11 -4.88 113.62 115.95 1xkq n SER 147 Ca -0.14 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.36 1xkq n SER 147 Cb 0.43 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.85 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 -0.97 -0.10 0.14 -3.46 0.15 -1.26 -4.30 113.70 103.90 1xkq s SER 148 Ca 0.00 0.10 0.18 0.00 0.70 0.00 0.00 55.95 56.94 1xkq s SER 148 Cb 0.00 0.09 0.79 0.00 -1.71 0.00 0.00 66.02 65.18 1xkq s SER 148 CO 0.00 -0.10 1.57 2.30 1.20 0.00 0.00 173.24 178.21 1xkq n ILE 149 N 0.51 0.97 0.37 6.45 -5.35 -1.03 -1.93 119.36 119.34 1xkq n ILE 149 Ca -0.02 0.28 0.10 0.00 -0.27 0.00 0.00 62.75 62.84 1xkq n ILE 149 Cb 0.59 -1.14 0.45 0.00 -1.74 0.00 0.00 39.64 37.79 1xkq n ILE 149 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1xkq n VAL 150 N -1.89 0.95 0.20 7.28 0.31 -1.26 -2.44 118.33 121.48 1xkq n VAL 150 Ca 0.02 0.31 0.04 0.00 -0.01 0.00 0.00 64.34 64.71 1xkq n VAL 150 Cb 0.18 -1.22 0.43 0.00 -0.91 0.00 0.00 33.84 32.31 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 2.26 1.46 0.00 3.52 0.00 -1.55 -3.43 119.26 121.52 1xkq h ALA 151 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1xkq h ALA 151 Cb 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1xkq h ALA 151 CO 0.00 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1xkq n GLY 152 N -0.62 -1.07 0.00 0.00 0.00 -1.02 -4.34 105.19 98.14 1xkq n GLY 152 Ca -0.02 -1.62 0.14 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.43 0.22 -2.66 1.61 -0.04 -1.26 -4.84 135.00 126.60 1xkq n PRO 153 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 1xkq n PRO 153 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 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 -2.78 4.08 0.61 0.54 -0.21 -1.26 -5.04 119.66 115.61 1xkq s GLN 154 Ca 0.21 1.00 -0.17 0.00 0.02 0.00 0.00 55.36 56.43 1xkq s GLN 154 Cb 0.19 -2.18 -0.03 0.00 1.00 0.00 0.00 33.01 32.00 1xkq s GLN 154 CO 0.49 -0.12 1.11 0.00 -2.12 0.00 0.00 175.29 174.65 1xkq s ALA 155 N -2.36 2.58 -0.51 6.09 0.00 -1.26 -4.88 121.76 121.41 1xkq s ALA 155 Ca 0.60 0.62 0.04 0.00 0.00 0.00 0.00 51.96 53.22 1xkq s ALA 155 Cb -0.09 -3.32 0.17 0.00 0.00 0.00 0.00 23.12 19.87 1xkq s ALA 155 CO 0.21 -1.03 0.39 -0.65 0.00 0.00 0.00 175.76 174.68 1xkq s GLN 156 N -3.80 1.46 0.00 0.00 -1.52 -1.26 -5.00 119.66 109.54 1xkq s GLN 156 Ca 0.68 -2.52 0.12 0.00 -1.95 0.00 0.00 55.36 51.69 1xkq s GLN 156 Cb -0.21 -2.16 0.57 0.00 -0.22 0.00 0.00 33.01 30.99 1xkq s GLN 156 CO 0.36 -1.34 1.30 -0.35 -0.25 0.00 0.00 175.29 175.01 1xkq n PRO 157 N 2.59 0.12 -0.07 2.91 -0.04 -1.26 -3.73 135.00 135.52 1xkq n PRO 157 Ca 0.25 0.21 -0.07 0.00 -0.04 0.00 0.00 63.50 63.85 1xkq n PRO 157 Cb 0.43 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.34 1.47 -3.91 3.54 8.00 -1.26 -2.75 116.55 120.30 1xkq n ASP 158 Ca 0.05 0.28 -0.38 0.00 0.71 0.00 0.00 54.79 55.45 1xkq n ASP 158 Cb 0.10 -0.69 -0.03 0.00 -0.02 0.00 0.00 41.12 40.48 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 -4.01 3.26 -0.01 1.24 3.01 -1.26 -0.08 117.46 119.61 1xkq n PHE 159 Ca -0.10 -3.40 -0.09 0.00 1.01 0.00 0.00 57.45 54.87 1xkq n PHE 159 Cb 0.38 -1.10 -0.03 0.00 -0.01 0.00 0.00 39.48 38.72 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 5.33 -0.33 -1.26 4.37 4.07 -1.85 -1.87 115.31 123.77 1xkq h LEU 160 Ca 0.19 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.21 1xkq h LEU 160 Cb 0.69 0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.57 1xkq h LEU 160 CO 1.09 -0.14 0.30 1.88 -1.08 0.00 0.00 178.44 180.49 1xkq h TYR 161 N -0.11 0.79 -0.47 1.13 0.05 -1.91 0.19 116.97 116.65 1xkq h TYR 161 Ca 0.09 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.78 1xkq h TYR 161 Cb 0.24 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 1xkq h TYR 161 CO -0.24 0.57 -0.01 -0.92 -1.05 0.00 0.00 178.16 176.51 1xkq h TYR 162 N 0.81 0.91 -0.42 4.88 3.20 -1.89 -1.36 116.97 123.10 1xkq h TYR 162 Ca 0.20 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1xkq h TYR 162 Cb 0.06 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 1xkq h TYR 162 CO 0.01 0.88 0.22 0.00 -1.64 0.00 0.00 178.16 177.63 1xkq h ALA 163 N 0.91 0.54 0.00 1.82 0.00 -0.42 -2.55 119.26 119.57 1xkq h ALA 163 Ca 0.13 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1xkq h ALA 163 Cb 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1xkq h ALA 163 CO 0.03 0.08 -0.69 -0.84 0.00 0.00 0.00 179.25 177.83 1xkq h ILE 164 N 0.55 1.44 -0.66 0.00 3.07 -0.58 -1.89 117.51 119.44 1xkq h ILE 164 Ca 0.15 -2.40 -0.05 0.00 1.55 0.00 0.00 64.86 64.10 1xkq h ILE 164 Cb 0.08 2.31 -0.03 0.00 -0.27 0.00 0.00 36.82 38.91 1xkq h ILE 164 CO -0.02 0.67 0.19 0.00 -1.05 0.00 0.00 178.15 177.95 1xkq h ALA 165 N 1.31 1.10 -0.07 0.16 0.00 -1.12 -0.05 119.26 120.59 1xkq h ALA 165 Ca -0.01 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 1xkq h ALA 165 Cb 1.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1xkq h ALA 165 CO 0.09 0.61 -0.64 0.87 0.00 0.00 0.00 179.25 180.18 1xkq h LYS 166 N 0.98 0.28 -0.46 0.00 1.79 -1.28 -0.69 116.57 117.19 1xkq h LYS 166 Ca 0.21 -0.20 -0.10 0.00 -2.18 0.00 0.00 60.65 58.38 1xkq h LYS 166 Cb 0.29 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1xkq h LYS 166 CO -0.01 0.82 -0.10 0.00 -1.08 0.00 0.00 179.45 179.08 1xkq h ALA 167 N 1.13 0.64 -0.40 3.86 0.00 -0.87 -1.60 119.26 122.03 1xkq h ALA 167 Ca -0.01 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1xkq h ALA 167 Cb 1.16 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1xkq h ALA 167 CO 0.10 0.53 -0.13 0.00 0.00 0.00 0.00 179.25 179.75 1xkq h ALA 168 N 0.88 1.02 -0.72 0.00 0.00 -0.88 -2.92 119.26 116.65 1xkq h ALA 168 Ca 0.12 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1xkq h ALA 168 Cb 0.65 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1xkq h ALA 168 CO 0.04 0.59 0.46 1.25 0.00 0.00 0.00 179.25 181.59 1xkq h LEU 169 N 0.65 0.78 -0.87 0.00 6.46 -0.76 -0.32 115.31 121.24 1xkq h LEU 169 Ca 0.11 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.84 1xkq h LEU 169 Cb 0.60 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.31 1xkq h LEU 169 CO 0.04 0.55 0.46 0.44 -0.62 0.00 0.00 178.44 179.31 1xkq h ASP 170 N 0.92 1.09 0.86 1.25 3.32 -1.11 0.17 116.42 122.93 1xkq h ASP 170 Ca 0.28 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.11 1xkq h ASP 170 Cb -0.04 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 1xkq h ASP 170 CO -0.09 0.89 -0.52 -0.61 -1.72 0.00 0.00 179.24 177.19 1xkq h GLN 171 N 1.22 0.00 -0.21 3.56 5.75 -1.33 -1.75 115.11 122.35 1xkq h GLN 171 Ca 0.30 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.65 1xkq h GLN 171 Cb 0.05 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1xkq h GLN 171 CO -0.05 0.52 -0.50 -0.92 -2.65 0.00 0.00 178.83 175.23 1xkq h TYR 172 N 0.00 0.71 -0.10 3.99 3.20 -0.29 -0.43 116.97 124.05 1xkq h TYR 172 Ca -0.01 -0.24 -0.01 0.00 3.14 0.00 0.00 58.73 61.62 1xkq h TYR 172 Cb 1.09 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 1xkq h TYR 172 CO 0.00 0.96 0.03 1.15 -1.64 0.00 0.00 178.16 178.66 1xkq h THR 173 N 0.45 1.18 -0.37 1.81 2.02 -0.40 -0.75 112.91 116.85 1xkq h THR 173 Ca 0.02 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 1xkq h THR 173 Cb 1.03 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 1xkq h THR 173 CO 0.10 0.16 0.17 0.03 0.37 0.00 0.00 175.52 176.34 1xkq h ARG 174 N -0.02 0.54 -0.41 6.66 3.08 -1.25 -1.76 114.38 121.22 1xkq h ARG 174 Ca 0.03 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 1xkq h ARG 174 Cb 0.22 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1xkq h ARG 174 CO -0.00 0.50 -0.23 0.77 -1.07 0.00 0.00 179.97 179.94 1xkq h SER 175 N 0.46 0.92 0.85 7.04 0.02 -1.05 -2.77 113.55 119.02 1xkq h SER 175 Ca 0.13 -0.42 -0.10 0.00 -0.84 0.00 0.00 61.79 60.56 1xkq h SER 175 Cb 0.15 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1xkq h SER 175 CO -0.01 1.14 -0.48 0.71 -1.14 0.00 0.00 176.83 177.04 1xkq h THR 176 N 0.71 1.07 -0.59 -2.27 1.35 -1.14 -1.84 112.91 110.20 1xkq h THR 176 Ca 0.09 -1.84 -0.03 0.00 -0.55 0.00 0.00 66.41 64.07 1xkq h THR 176 Cb 0.81 2.08 -0.03 0.00 -1.73 0.00 0.00 68.15 69.28 1xkq h THR 176 CO 0.07 0.47 0.23 0.00 -0.25 0.00 0.00 175.52 176.04 1xkq h ALA 177 N 1.52 0.76 -0.16 6.62 0.00 -1.19 0.89 119.26 127.70 1xkq h ALA 177 Ca -0.00 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.55 1xkq h ALA 177 Cb 1.04 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1xkq h ALA 177 CO 0.06 0.38 -0.66 0.82 0.00 0.00 0.00 179.25 179.85 1xkq h ILE 178 N 0.81 1.30 -0.22 0.00 1.08 -1.38 -1.06 117.51 118.04 1xkq h ILE 178 Ca 0.19 -1.88 -0.02 0.00 -0.39 0.00 0.00 64.86 62.76 1xkq h ILE 178 Cb 0.21 2.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.95 1xkq h ILE 178 CO -0.02 0.59 0.05 -0.78 -0.69 0.00 0.00 178.15 177.31 1xkq h ASP 179 N 0.42 0.34 0.82 1.72 3.58 -1.22 -3.09 116.42 118.99 1xkq h ASP 179 Ca -0.04 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.18 1xkq h ASP 179 Cb 1.29 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1xkq h ASP 179 CO 0.14 0.48 -0.10 0.18 -2.88 0.00 0.00 179.24 177.06 1xkq n LEU 180 N -4.74 0.12 0.04 2.28 4.77 0.30 -3.82 117.00 115.95 1xkq n LEU 180 Ca -0.04 0.35 0.08 0.00 -0.03 0.00 0.00 56.01 56.38 1xkq n LEU 180 Cb 0.17 -0.41 0.51 0.00 -2.33 0.00 0.00 43.42 41.36 1xkq n LEU 180 CO 0.36 0.03 1.15 0.00 -1.33 0.00 0.00 177.39 177.60 1xkq h ALA 181 N 3.09 1.91 0.00 -1.18 0.00 -1.10 -1.47 119.26 120.51 1xkq h ALA 181 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xkq h ALA 181 Cb 0.47 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1xkq h ALA 181 CO 0.00 0.04 -0.06 1.57 0.00 0.00 0.00 179.25 180.80 1xkq h LYS 182 N 0.35 0.00 -0.26 0.00 2.10 -1.74 -1.54 116.57 115.49 1xkq h LYS 182 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 1xkq h LYS 182 Cb 0.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 1xkq h LYS 182 CO -0.03 0.06 0.00 1.19 -2.00 0.00 0.00 179.45 178.67 1xkq n PHE 183 N -3.95 0.33 -0.89 0.07 3.72 -0.56 -4.90 117.46 111.29 1xkq n PHE 183 Ca -0.03 -0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1xkq n PHE 183 Cb 0.15 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 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 1.14 0.62 3.85 1.37 0.00 -0.58 -4.72 105.19 106.88 1xkq n GLY 184 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.28 4.83 -0.16 -0.61 1.01 -1.18 -4.57 121.20 118.24 1xkq s ILE 185 Ca 0.00 0.76 0.01 0.00 0.00 0.00 0.00 60.65 61.41 1xkq s ILE 185 Cb 0.00 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.81 1xkq s ILE 185 CO 0.00 0.06 -0.16 -0.13 0.00 0.00 0.00 174.94 174.71 1xkq s ARG 186 N -2.44 2.51 -0.19 2.79 0.52 -1.06 -3.98 118.95 117.09 1xkq s ARG 186 Ca 0.44 -0.66 -0.05 0.00 -0.52 0.00 0.00 55.73 54.94 1xkq s ARG 186 Cb -0.13 -2.27 -0.03 0.00 0.52 0.00 0.00 34.95 33.04 1xkq s ARG 186 CO 0.20 -0.24 0.00 0.08 0.02 0.00 0.00 175.30 175.36 1xkq s VAL 187 N 1.42 4.04 0.22 3.52 1.01 -1.26 -1.12 120.40 128.23 1xkq s VAL 187 Ca 0.05 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.79 1xkq s VAL 187 Cb -0.13 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1xkq s VAL 187 CO -0.11 0.44 0.17 0.59 0.00 0.00 0.00 175.10 176.19 1xkq n ASN 188 N 4.10 -0.27 -3.79 3.32 3.02 0.06 -1.01 115.26 120.68 1xkq n ASN 188 Ca -0.17 -2.42 -0.07 0.00 -0.03 0.00 0.00 54.58 51.89 1xkq n ASN 188 Cb 0.52 1.03 -0.02 0.00 -0.61 0.00 0.00 39.78 40.70 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 -2.52 -0.30 -0.01 6.41 0.15 0.95 -1.12 113.70 117.26 1xkq s SER 189 Ca 0.24 -0.50 0.02 0.00 0.70 0.00 0.00 55.95 56.41 1xkq s SER 189 Cb 0.01 0.69 -0.00 0.00 -1.71 0.00 0.00 66.02 65.01 1xkq s SER 189 CO 0.17 -1.25 -0.07 0.54 1.20 0.00 0.00 173.24 173.83 1xkq s VAL 190 N -3.83 0.55 -0.48 4.45 0.11 -0.74 -1.04 120.40 119.41 1xkq s VAL 190 Ca 0.10 -0.27 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 1xkq s VAL 190 Cb -0.05 -0.48 0.13 0.00 -1.53 0.00 0.00 36.38 34.45 1xkq s VAL 190 CO 0.04 0.17 0.25 -0.44 -3.33 0.00 0.00 175.10 171.78 1xkq s SER 191 N 0.03 4.90 0.68 3.54 0.01 0.18 0.04 113.70 123.07 1xkq s SER 191 Ca 0.00 -2.54 -0.12 0.00 1.31 0.00 0.00 55.95 54.60 1xkq s SER 191 Cb -0.05 -1.74 0.01 0.00 0.21 0.00 0.00 66.02 64.45 1xkq s SER 191 CO -0.00 -0.38 1.07 -2.84 0.41 0.00 0.00 173.24 171.50 1xkq s PRO 192 N 0.38 2.90 0.00 12.44 0.02 -1.26 -1.46 135.00 148.02 1xkq s PRO 192 Ca 0.13 1.07 0.00 0.00 0.02 0.00 0.00 61.00 62.22 1xkq s PRO 192 Cb -0.22 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.32 1xkq s PRO 192 CO -0.04 -1.14 0.00 0.41 -0.33 0.00 0.00 177.00 175.90 1xkq n GLY 193 N -1.57 2.24 3.72 0.52 0.00 0.12 -2.47 105.19 107.75 1xkq n GLY 193 Ca 0.08 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 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 3.93 4.21 -0.02 1.61 1.75 -1.26 -4.95 119.30 124.58 1xkq s MET 194 Ca 0.00 2.36 0.01 0.00 -1.25 0.00 0.00 55.69 56.82 1xkq s MET 194 Cb 0.00 -3.15 0.01 0.00 2.84 0.00 0.00 34.83 34.53 1xkq s MET 194 CO 0.00 -0.60 -0.05 0.08 -0.65 0.00 0.00 175.02 173.80 1xkq s VAL 195 N 1.11 0.43 -0.54 10.11 1.01 -1.26 -2.50 120.40 128.76 1xkq s VAL 195 Ca 0.70 -0.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.23 1xkq s VAL 195 Cb -0.44 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 35.57 1xkq s VAL 195 CO 0.32 0.15 1.21 -1.61 0.00 0.00 0.00 175.10 175.16 1xkq s GLU 196 N 0.28 3.57 0.00 2.72 2.02 -0.34 -4.88 118.70 122.07 1xkq s GLU 196 Ca -0.03 0.40 0.00 0.00 0.02 0.00 0.00 54.97 55.36 1xkq s GLU 196 Cb -0.07 -3.99 0.00 0.00 0.10 0.00 0.00 34.13 30.17 1xkq s GLU 196 CO -0.00 -1.61 0.00 0.25 0.02 0.00 0.00 175.26 173.92 1xkq n THR 197 N 6.77 0.00 0.68 3.63 -2.24 -1.26 -4.28 114.28 117.58 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 0.21 0.00 -2.10 0.00 0.00 70.33 68.93 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 1.28 0.45 3.38 0.00 -1.26 -4.62 105.19 104.42 1xkq n GLY 198 Ca 0.00 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.18 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 4.27 -1.38 -0.01 1.61 3.04 -1.95 0.78 116.94 123.30 1xkq h PHE 199 Ca 0.00 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.95 1xkq h PHE 199 Cb 0.93 0.59 -0.01 0.00 2.56 0.00 0.00 35.95 40.02 1xkq h PHE 199 CO 0.14 -0.56 -0.20 1.79 -2.02 0.00 0.00 178.31 177.47 1xkq h THR 200 N -0.69 1.15 -0.16 4.41 1.35 -1.92 -2.49 112.91 114.56 1xkq h THR 200 Ca 0.02 -0.70 -0.03 0.00 -0.55 0.00 0.00 66.41 65.14 1xkq h THR 200 Cb 0.72 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.50 1xkq h THR 200 CO -0.29 0.20 -0.03 -1.13 -0.25 0.00 0.00 175.52 174.01 1xkq h ASN 201 N 0.01 0.31 -0.59 5.36 -1.24 -1.58 -1.71 115.58 116.15 1xkq h ASN 201 Ca 0.00 -0.36 0.08 0.00 0.71 0.00 0.00 56.30 56.73 1xkq h ASN 201 Cb 0.36 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.29 1xkq h ASN 201 CO 0.03 0.60 0.39 0.00 -1.29 0.00 0.00 177.43 177.16 1xkq h ALA 202 N 0.72 1.92 0.00 1.57 0.00 -0.52 0.30 119.26 123.25 1xkq h ALA 202 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xkq h ALA 202 Cb 0.46 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xkq h ALA 202 CO 0.02 -0.04 0.00 0.52 0.00 0.00 0.00 179.25 179.75 1xkq h MET 203 N 0.48 0.00 0.00 0.00 2.86 -1.17 -3.46 114.93 113.64 1xkq h MET 203 Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1xkq h MET 203 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1xkq h MET 203 CO -0.08 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.30 1xkq n GLY 204 N -0.28 0.79 3.73 8.32 0.00 0.10 -4.74 105.19 113.11 1xkq n GLY 204 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.45 4.42 0.73 1.61 -1.94 -0.67 -5.00 119.30 118.01 1xkq s MET 205 Ca 0.00 1.92 -0.14 0.00 -1.71 0.00 0.00 55.69 55.77 1xkq s MET 205 Cb 0.00 -3.26 0.04 0.00 2.01 0.00 0.00 34.83 33.62 1xkq s MET 205 CO 0.00 -0.23 1.14 -2.14 -0.01 0.00 0.00 175.02 173.78 1xkq s PRO 206 N 0.36 2.26 0.29 2.03 0.02 -1.26 -4.25 135.00 134.45 1xkq s PRO 206 Ca 0.57 1.49 -0.02 0.00 0.02 0.00 0.00 61.00 63.07 1xkq s PRO 206 Cb -0.33 -1.87 0.43 0.00 0.02 0.00 0.00 34.50 32.74 1xkq s PRO 206 CO 0.34 -1.69 1.94 -0.44 -0.33 0.00 0.00 177.00 176.82 1xkq h ASP 207 N -0.52 0.98 -0.33 2.53 5.19 -1.97 -0.98 116.42 121.31 1xkq h ASP 207 Ca -0.46 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 55.92 1xkq h ASP 207 Cb 1.26 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.52 1xkq h ASP 207 CO 0.50 0.69 0.14 1.56 -3.12 0.00 0.00 179.24 179.02 1xkq h GLN 208 N 1.15 0.49 -0.42 3.56 4.20 -2.00 -1.40 115.11 120.69 1xkq h GLN 208 Ca 0.34 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.95 1xkq h GLN 208 Cb -0.04 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1xkq h GLN 208 CO -0.09 0.47 0.20 0.00 -0.67 0.00 0.00 178.83 178.74 1xkq h ALA 209 N 0.99 0.54 -0.30 3.87 0.00 -1.83 -1.92 119.26 120.61 1xkq h ALA 209 Ca 0.11 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1xkq h ALA 209 Cb 0.16 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1xkq h ALA 209 CO -0.01 0.11 0.01 0.77 0.00 0.00 0.00 179.25 180.13 1xkq h SER 210 N 0.54 -0.09 -0.35 0.00 0.02 -0.94 0.27 113.55 113.00 1xkq h SER 210 Ca 0.14 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1xkq h SER 210 Cb 0.13 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1xkq h SER 210 CO -0.02 -0.01 0.14 -0.61 -1.14 0.00 0.00 176.83 175.19 1xkq h GLN 211 N 0.10 0.59 -0.32 3.45 5.75 -1.13 0.14 115.11 123.70 1xkq h GLN 211 Ca 0.15 -0.09 -0.11 0.00 -0.15 0.00 0.00 58.65 58.45 1xkq h GLN 211 Cb 0.19 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 1xkq h GLN 211 CO -0.23 0.52 -0.25 -0.22 -2.65 0.00 0.00 178.83 175.99 1xkq h LYS 212 N 0.59 0.63 -0.07 1.69 3.64 -0.38 -1.14 116.57 121.52 1xkq h LYS 212 Ca 0.14 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1xkq h LYS 212 Cb 0.17 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1xkq h LYS 212 CO -0.01 0.82 -0.02 0.35 -2.27 0.00 0.00 179.45 178.32 1xkq h PHE 213 N 0.55 0.16 -0.04 1.91 3.57 0.85 -2.41 116.94 121.55 1xkq h PHE 213 Ca 0.08 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1xkq h PHE 213 Cb 0.72 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 1xkq h PHE 213 CO 0.03 0.48 -0.12 1.88 -2.23 0.00 0.00 178.31 178.36 1xkq h TYR 214 N -0.21 -0.29 -0.63 0.41 0.05 -0.64 -1.56 116.97 114.09 1xkq h TYR 214 Ca 0.02 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.85 1xkq h TYR 214 Cb 0.44 0.14 -0.05 0.00 1.01 0.00 0.00 36.73 38.27 1xkq h TYR 214 CO 0.06 -0.18 0.36 -0.91 -1.05 0.00 0.00 178.16 176.44 1xkq h ASN 215 N -0.18 0.56 -0.38 3.88 2.35 -1.23 -0.09 115.58 120.49 1xkq h ASN 215 Ca 0.05 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1xkq h ASN 215 Cb 0.25 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1xkq h ASN 215 CO -0.14 0.38 0.15 0.15 -1.65 0.00 0.00 177.43 176.31 1xkq h PHE 216 N 0.69 0.59 -0.33 1.19 3.04 -1.19 -1.02 116.94 119.90 1xkq h PHE 216 Ca 0.27 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.16 1xkq h PHE 216 Cb 0.11 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.43 1xkq h PHE 216 CO -0.07 0.53 0.17 0.52 -2.02 0.00 0.00 178.31 177.44 1xkq h MET 217 N 0.47 0.48 -0.05 1.11 2.86 -0.91 -2.48 114.93 116.41 1xkq h MET 217 Ca 0.13 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 1xkq h MET 217 Cb 0.20 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1xkq h MET 217 CO -0.01 0.43 -0.35 0.00 1.06 0.00 0.00 176.91 178.04 1xkq h ALA 218 N 1.02 1.34 -0.01 6.32 0.00 -0.92 -3.04 119.26 123.98 1xkq h ALA 218 Ca 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1xkq h ALA 218 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xkq h ALA 218 CO -0.02 0.48 -0.28 -1.13 0.00 0.00 0.00 179.25 178.30 1xkq n SER 219 N -4.11 0.86 -4.20 0.00 3.41 -0.40 -4.06 113.62 105.13 1xkq n SER 219 Ca -0.02 -0.73 -0.34 0.00 -0.26 0.00 0.00 58.87 57.52 1xkq n SER 219 Cb 0.40 0.12 -0.14 0.00 -0.26 0.00 0.00 64.21 64.33 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 -2.59 3.07 0.56 7.33 4.02 -0.95 -5.00 115.29 121.73 1xkq s HIS 220 Ca 0.22 -1.56 0.24 0.00 1.02 0.00 0.00 55.06 54.99 1xkq s HIS 220 Cb 0.19 -2.06 1.59 0.00 -1.02 0.00 0.00 32.58 31.29 1xkq s HIS 220 CO 0.55 -0.73 2.19 1.57 1.02 0.00 0.00 174.74 179.34 1xkq h LYS 221 N 8.01 0.00 0.00 1.40 2.10 -1.84 0.32 116.57 126.57 1xkq h LYS 221 Ca -0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 1xkq h LYS 221 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1xkq h LYS 221 CO 0.57 0.00 0.00 -0.85 -2.00 0.00 0.00 179.45 177.17 1xkq n GLU 222 N -4.11 0.10 -0.11 0.07 0.00 -1.26 -2.45 120.64 112.87 1xkq n GLU 222 Ca -0.02 0.23 -0.18 0.00 0.00 0.00 0.00 57.16 57.18 1xkq n GLU 222 Cb 0.13 -1.65 -0.06 0.00 0.00 0.00 0.00 31.44 29.85 1xkq n GLU 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xkq s ILE 224 N -2.65 0.58 0.31 0.00 1.01 -0.67 -4.23 121.20 115.55 1xkq s ILE 224 Ca -0.32 -1.76 0.07 0.00 0.00 0.00 0.00 60.65 58.64 1xkq s ILE 224 Cb 0.08 -1.43 0.30 0.00 0.01 0.00 0.00 42.46 41.43 1xkq s ILE 224 CO 0.45 -0.88 1.71 -0.65 0.00 0.00 0.00 174.94 175.57 1xkq h PRO 225 N 7.30 0.48 0.00 2.79 0.11 -1.31 -1.28 132.00 140.08 1xkq h PRO 225 Ca -0.03 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1xkq h PRO 225 Cb 0.97 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1xkq h PRO 225 CO 0.38 0.31 0.00 0.97 -0.21 0.00 0.00 178.00 179.46 1xkq h ILE 226 N 0.49 0.00 -0.15 4.15 2.10 -1.51 -3.46 117.51 119.13 1xkq h ILE 226 Ca 0.61 -0.09 -0.04 0.00 1.08 0.00 0.00 64.86 66.41 1xkq h ILE 226 Cb 1.15 0.69 -0.01 0.00 -1.09 0.00 0.00 36.82 37.56 1xkq h ILE 226 CO -0.50 0.00 -0.04 0.61 -1.08 0.00 0.00 178.15 177.14 1xkq n GLY 227 N -0.83 0.47 3.43 8.18 0.00 -0.48 -5.04 105.19 110.93 1xkq n GLY 227 Ca -0.00 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.08 -1.34 0.43 4.61 0.00 -1.26 -4.82 121.76 117.30 1xkq s ALA 228 Ca 0.00 1.40 -0.24 0.00 0.00 0.00 0.00 51.96 53.12 1xkq s ALA 228 Cb 0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 23.12 22.33 1xkq s ALA 228 CO 0.00 -0.27 1.18 0.00 0.00 0.00 0.00 175.76 176.67 1xkq s ALA 229 N -0.01 3.07 0.55 0.00 0.00 -1.26 -4.88 121.76 119.24 1xkq s ALA 229 Ca -0.02 0.98 -0.19 0.00 0.00 0.00 0.00 51.96 52.72 1xkq s ALA 229 Cb -0.04 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 1xkq s ALA 229 CO 0.02 -0.62 1.15 0.20 0.00 0.00 0.00 175.76 176.52 1xkq s GLY 230 N -1.21 2.67 0.19 0.00 0.00 -1.04 -4.91 107.32 103.03 1xkq s GLY 230 Ca 0.60 0.89 0.11 0.00 0.00 0.00 0.00 44.72 46.31 1xkq s GLY 230 CO 0.38 1.26 -0.22 0.54 0.00 0.00 0.00 173.10 175.05 1xkq s LYS 231 N -3.27 1.46 0.23 2.90 1.02 -1.26 -1.20 119.74 119.63 1xkq s LYS 231 Ca 0.74 -1.51 -0.06 0.00 0.02 0.00 0.00 55.97 55.16 1xkq s LYS 231 Cb -0.26 -1.71 0.41 0.00 -0.52 0.00 0.00 37.83 35.76 1xkq s LYS 231 CO 0.29 0.36 1.69 -1.35 -0.92 0.00 0.00 175.35 175.42 1xkq h PRO 232 N 3.17 0.25 -0.41 -1.68 0.11 -1.93 0.17 132.00 131.68 1xkq h PRO 232 Ca -0.45 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.69 1xkq h PRO 232 Cb 1.21 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1xkq h PRO 232 CO 0.49 0.16 0.28 0.93 -0.21 0.00 0.00 178.00 179.66 1xkq h GLU 233 N 0.26 0.35 -0.46 1.05 3.07 -1.94 -0.51 114.58 116.40 1xkq h GLU 233 Ca 0.39 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.20 1xkq h GLU 233 Cb 0.64 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.45 1xkq h GLU 233 CO -0.49 0.23 0.17 0.45 -1.40 0.00 0.00 179.01 177.97 1xkq h HIS 234 N 0.36 0.65 0.14 4.33 3.86 -1.36 -0.88 115.15 122.25 1xkq h HIS 234 Ca 0.18 -0.03 -0.32 0.00 -1.16 0.00 0.00 60.37 59.04 1xkq h HIS 234 Cb 0.25 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 1xkq h HIS 234 CO -0.00 0.52 -1.58 0.82 0.86 0.00 0.00 177.93 178.55 1xkq h ILE 235 N 0.65 1.11 -0.54 2.45 1.08 -1.30 -3.34 117.51 117.62 1xkq h ILE 235 Ca 0.16 -2.72 0.01 0.00 -0.39 0.00 0.00 64.86 61.92 1xkq h ILE 235 Cb 0.15 2.77 -0.03 0.00 -3.07 0.00 0.00 36.82 36.64 1xkq h ILE 235 CO -0.01 0.83 0.35 0.00 -0.69 0.00 0.00 178.15 178.62 1xkq h ALA 236 N 0.39 0.69 -0.78 1.87 0.00 -0.83 -2.23 119.26 118.37 1xkq h ALA 236 Ca -0.27 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.73 1xkq h ALA 236 Cb 2.04 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.59 1xkq h ALA 236 CO 0.17 0.09 0.51 -0.91 0.00 0.00 0.00 179.25 179.11 1xkq h ASN 237 N 0.70 0.59 0.27 0.00 -0.26 -1.30 -1.15 115.58 114.43 1xkq h ASN 237 Ca 0.21 0.02 -0.20 0.00 -0.56 0.00 0.00 56.30 55.77 1xkq h ASN 237 Cb -0.04 -0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 37.12 1xkq h ASN 237 CO -0.07 0.34 -0.80 0.40 -1.06 0.00 0.00 177.43 176.24 1xkq h ILE 238 N 0.65 1.38 0.00 2.81 2.04 -1.53 -2.31 117.51 120.55 1xkq h ILE 238 Ca 0.37 -2.23 -0.00 0.00 1.00 0.00 0.00 64.86 64.00 1xkq h ILE 238 Cb 0.55 2.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1xkq h ILE 238 CO -0.14 0.67 -0.00 0.40 0.00 0.00 0.00 178.15 179.08 1xkq h ILE 239 N 0.27 1.09 -0.65 -0.67 1.08 -0.69 -1.68 117.51 116.26 1xkq h ILE 239 Ca -0.05 -0.27 0.02 0.00 -0.39 0.00 0.00 64.86 64.17 1xkq h ILE 239 Cb 1.40 1.27 -0.04 0.00 -3.07 0.00 0.00 36.82 36.38 1xkq h ILE 239 CO 0.14 0.07 0.41 -0.07 -0.69 0.00 0.00 178.15 178.01 1xkq h LEU 240 N -0.12 0.68 -0.61 1.44 4.07 -1.33 0.56 115.31 120.00 1xkq h LEU 240 Ca -0.00 -0.01 0.03 0.00 0.08 0.00 0.00 57.88 57.98 1xkq h LEU 240 Cb 0.12 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 41.67 1xkq h LEU 240 CO 0.00 0.48 0.38 0.15 -1.08 0.00 0.00 178.44 178.37 1xkq h PHE 241 N 0.82 0.70 0.00 1.13 3.57 -1.23 0.25 116.94 122.18 1xkq h PHE 241 Ca 0.25 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.67 1xkq h PHE 241 Cb -0.02 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 1xkq h PHE 241 CO -0.04 0.40 -0.49 -0.07 -2.23 0.00 0.00 178.31 175.88 1xkq h LEU 242 N 0.74 0.00 -0.03 0.59 3.38 -0.88 -2.61 115.31 116.50 1xkq h LEU 242 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1xkq h LEU 242 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1xkq h LEU 242 CO -0.10 0.49 0.00 0.00 0.09 0.00 0.00 178.44 178.91 1xkq h ALA 243 N 1.51 1.00 -1.54 1.53 0.00 -0.03 -3.40 119.26 118.34 1xkq h ALA 243 Ca -0.00 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.22 1xkq h ALA 243 Cb 0.93 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.58 1xkq h ALA 243 CO 0.06 0.00 1.30 0.34 0.00 0.00 0.00 179.25 180.95 1xkq s ASP 244 N -5.50 6.74 0.28 0.00 -1.08 0.80 -4.87 116.67 113.03 1xkq s ASP 244 Ca 0.08 -2.20 0.01 0.00 -0.52 0.00 0.00 52.55 49.92 1xkq s ASP 244 Cb 0.08 -2.46 0.58 0.00 -1.46 0.00 0.00 42.92 39.66 1xkq s ASP 244 CO 0.64 -1.10 1.78 -0.09 0.52 0.00 0.00 175.17 176.92 1xkq h ARG 245 N 8.46 0.72 -0.68 4.34 2.43 -1.81 -0.53 114.38 127.31 1xkq h ARG 245 Ca 0.25 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.46 1xkq h ARG 245 Cb 0.96 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.31 1xkq h ARG 245 CO 1.26 0.47 0.45 -0.91 -1.51 0.00 0.00 179.97 179.73 1xkq h ASN 246 N 0.74 0.53 0.00 -3.80 2.35 -1.94 0.64 115.58 114.10 1xkq h ASN 246 Ca 0.50 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 56.18 1xkq h ASN 246 Cb 0.67 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 1xkq h ASN 246 CO -0.34 0.33 -0.66 -0.07 -1.65 0.00 0.00 177.43 175.04 1xkq h LEU 247 N 0.59 0.00 -1.51 1.61 4.07 -1.53 -3.41 115.31 115.14 1xkq h LEU 247 Ca 0.30 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1xkq h LEU 247 Cb 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1xkq h LEU 247 CO -0.10 0.96 0.00 -1.54 -1.08 0.00 0.00 178.44 176.68 1xkq n SER 248 N -4.58 2.23 -0.10 -0.43 3.41 -0.33 -4.76 113.62 109.05 1xkq n SER 248 Ca -0.14 -1.90 -0.03 0.00 -0.26 0.00 0.00 58.87 56.55 1xkq n SER 248 Cb 0.37 -0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.70 -0.11 0.55 7.33 7.35 0.22 -0.27 117.46 133.23 1xkq n PHE 249 Ca 0.16 0.31 0.06 0.00 -0.76 0.00 0.00 57.45 57.21 1xkq n PHE 249 Cb 0.38 -0.50 0.29 0.00 0.35 0.00 0.00 39.48 40.00 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 -4.22 0.00 -2.99 -5.13 9.36 -1.26 -4.58 117.16 108.34 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 0.06 -0.27 -0.05 0.00 -0.63 0.00 0.00 39.34 38.45 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 -2.54 4.92 -0.11 2.97 -1.09 0.63 -5.03 121.20 120.94 1xkq s ILE 251 Ca 0.11 1.42 -0.06 0.00 -2.23 0.00 0.00 60.65 59.89 1xkq s ILE 251 Cb 0.08 -4.05 0.05 0.00 -1.58 0.00 0.00 42.46 36.96 1xkq s ILE 251 CO 0.17 0.03 0.27 -0.22 -1.23 0.00 0.00 174.94 173.96 1xkq s LEU 252 N 2.30 0.37 -0.93 2.97 0.20 -1.26 -4.89 118.68 117.44 1xkq s LEU 252 Ca 0.33 0.58 0.00 0.00 0.69 0.00 0.00 54.13 55.73 1xkq s LEU 252 Cb -0.16 0.84 0.00 0.00 -0.43 0.00 0.00 46.19 46.44 1xkq s LEU 252 CO 0.10 -0.17 0.00 0.61 -0.29 0.00 0.00 176.35 176.60 1xkq n GLY 253 N 4.16 0.38 3.51 7.98 0.00 -0.18 -5.02 105.19 116.00 1xkq n GLY 253 Ca -0.24 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.92 1.87 -0.35 1.61 -1.52 -1.26 -4.47 119.66 111.62 1xkq s GLN 254 Ca 0.00 -1.14 0.04 0.00 -1.95 0.00 0.00 55.36 52.31 1xkq s GLN 254 Cb 0.00 -2.16 0.10 0.00 -0.22 0.00 0.00 33.01 30.73 1xkq s GLN 254 CO 0.00 0.49 0.06 0.45 -0.25 0.00 0.00 175.29 176.04 1xkq s SER 255 N -2.14 4.70 0.10 5.90 0.15 -1.25 -0.03 113.70 121.12 1xkq s SER 255 Ca 0.19 -2.16 -0.31 0.00 0.70 0.00 0.00 55.95 54.36 1xkq s SER 255 Cb -0.11 -1.58 -0.09 0.00 -1.71 0.00 0.00 66.02 62.54 1xkq s SER 255 CO 0.11 -0.38 1.60 -0.63 1.20 0.00 0.00 173.24 175.14 1xkq s ILE 256 N 0.89 2.96 -0.11 6.45 1.01 -0.20 -4.49 121.20 127.71 1xkq s ILE 256 Ca 0.11 0.53 -0.26 0.00 0.00 0.00 0.00 60.65 61.04 1xkq s ILE 256 Cb -0.19 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 1xkq s ILE 256 CO -0.09 0.01 0.82 -0.69 0.00 0.00 0.00 174.94 174.99 1xkq s VAL 257 N 2.07 4.93 -0.44 2.92 1.01 -1.26 0.50 120.40 130.13 1xkq s VAL 257 Ca 0.72 1.65 0.02 0.00 0.00 0.00 0.00 61.98 64.37 1xkq s VAL 257 Cb -0.40 -4.14 0.14 0.00 0.00 0.00 0.00 36.38 31.98 1xkq s VAL 257 CO 0.31 0.12 0.26 0.00 0.00 0.00 0.00 175.10 175.79 1xkq s ALA 258 N 1.56 1.93 -0.03 5.51 0.00 -0.54 -4.92 121.76 125.26 1xkq s ALA 258 Ca 0.40 -2.51 0.06 0.00 0.00 0.00 0.00 51.96 49.91 1xkq s ALA 258 Cb -0.18 -1.82 0.09 0.00 0.00 0.00 0.00 23.12 21.22 1xkq s ALA 258 CO 0.17 -2.07 1.05 -0.40 0.00 0.00 0.00 175.76 174.51 1xkq n ASP 259 N 3.47 0.63 -0.88 0.00 5.75 -1.26 -0.70 116.55 123.56 1xkq n ASP 259 Ca 0.12 -2.29 -0.11 0.00 -0.01 0.00 0.00 54.79 52.50 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 -0.35 1.09 0.71 6.12 0.00 -1.26 -1.49 105.19 110.00 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 0.23 0.64 0.22 -0.02 0.00 -1.26 -1.25 105.19 103.74 1xkq n GLY 261 Ca -0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 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 0.47 0.00 2.61 2.02 -1.44 -1.24 112.91 115.33 1xkq h THR 262 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1xkq h THR 262 Cb 0.00 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1xkq h THR 262 CO 0.00 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.35 1xkq n SER 263 N -5.37 0.00 -0.15 4.18 3.41 -1.26 -2.43 113.62 112.00 1xkq n SER 263 Ca 0.04 0.38 0.13 0.00 -0.26 0.00 0.00 58.87 59.16 1xkq n SER 263 Cb 0.28 -0.44 0.39 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.44 0.75 -4.62 1.04 4.77 -0.47 -4.85 117.00 112.18 1xkq n LEU 264 Ca 0.05 -0.12 -0.34 0.00 -0.03 0.00 0.00 56.01 55.57 1xkq n LEU 264 Cb 0.16 -0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 40.97 1xkq n LEU 264 CO 0.14 0.15 -0.26 0.54 -1.33 0.00 0.00 177.39 176.63 1xkq s VAL 265 N -2.65 4.71 0.43 4.08 0.11 -1.02 -5.09 120.40 120.97 1xkq s VAL 265 Ca 0.21 -0.06 -0.21 0.00 -2.93 0.00 0.00 61.98 58.99 1xkq s VAL 265 Cb 0.19 -3.12 -0.11 0.00 -1.53 0.00 0.00 36.38 31.81 1xkq s VAL 265 CO 0.56 0.46 0.94 -0.32 -3.33 0.00 0.00 175.10 173.41 1xkq s MET 266 N 0.37 4.21 0.45 1.54 1.75 -1.26 -4.97 119.30 121.39 1xkq s MET 266 Ca 0.02 1.09 0.15 0.00 -1.25 0.00 0.00 55.69 55.71 1xkq s MET 266 Cb -0.12 -2.19 1.08 0.00 2.84 0.00 0.00 34.83 36.44 1xkq s MET 266 CO 0.00 -0.02 1.99 0.78 -0.65 0.00 0.00 175.02 177.12 1xkq h GLY 267 N 1.91 0.48 1.63 2.11 0.00 -1.98 -1.59 103.07 105.62 1xkq h GLY 267 Ca -0.49 -0.14 -0.09 0.00 0.00 0.00 0.00 47.33 46.61 1xkq h GLY 267 CO 0.61 0.08 -0.27 -0.91 0.00 0.00 0.00 176.54 176.06 1xkq h THR 268 N 0.34 1.27 0.00 4.70 1.35 -2.03 -2.90 112.91 115.64 1xkq h THR 268 Ca 0.26 -1.27 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1xkq h THR 268 Cb 0.58 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1xkq h THR 268 CO -0.06 0.40 0.00 0.00 -0.25 0.00 0.00 175.52 175.61 1xkq n GLN 269 N -4.12 0.32 -0.13 4.72 6.02 -0.60 -1.81 117.38 121.78 1xkq n GLN 269 Ca -0.01 0.01 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 1xkq n GLN 269 Cb 0.41 -1.50 0.14 0.00 1.02 0.00 0.00 30.24 30.31 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 -1.01 2.46 -0.52 -1.58 0.00 -1.10 -4.52 120.51 114.25 1xkq n ALA 270 Ca 0.08 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1xkq n ALA 270 Cb 0.04 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1xkq n ALA 270 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xkq n HIS 271 N 0.27 0.00 -0.07 0.00 8.25 -0.75 -5.07 115.22 117.85 1xkq n HIS 271 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1xkq n HIS 271 Cb 0.23 0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.46 1xkq n HIS 271 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51