#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1q s PRO 2 N 0.00 4.43 0.25 0.03 0.04 -1.26 -4.27 135.00 134.23 3k1q s PRO 2 Ca 0.00 1.01 -0.31 0.00 0.04 0.00 0.00 61.00 61.74 3k1q s PRO 2 Cb 0.00 -3.48 -0.13 0.00 0.04 0.00 0.00 34.50 30.93 3k1q s PRO 2 CO 0.00 -0.04 1.45 -0.11 0.04 0.00 0.00 177.00 178.34 3k1q n LEU 3 N 4.10 3.40 -4.13 -3.56 7.94 -1.26 -5.05 117.00 118.43 3k1q n LEU 3 Ca 0.01 1.14 -0.12 0.00 -1.11 0.00 0.00 56.01 55.94 3k1q n LEU 3 Cb 0.51 -1.47 -0.11 0.00 0.53 0.00 0.00 43.42 42.89 3k1q n LEU 3 CO 0.48 -0.34 -0.39 -1.00 -1.11 0.00 0.00 177.39 175.03 3k1q s HIS 4 N -0.04 0.83 -1.05 1.96 3.76 -1.26 -4.75 115.29 114.74 3k1q s HIS 4 Ca 0.67 -0.75 -0.16 0.00 -0.15 0.00 0.00 55.06 54.68 3k1q s HIS 4 Cb -0.61 -0.48 -0.01 0.00 1.11 0.00 0.00 32.58 32.59 3k1q s HIS 4 CO 0.49 -0.11 0.76 -1.33 -0.85 0.00 0.00 174.74 173.70 3k1q n MET 5 N 0.54 -1.25 0.27 1.40 2.81 -1.26 -4.72 117.12 114.91 3k1q n MET 5 Ca -0.16 0.62 -0.16 0.00 -1.81 0.00 0.00 57.70 56.18 3k1q n MET 5 Cb 0.58 -4.06 -0.08 0.00 -0.71 0.00 0.00 33.22 28.95 3k1q n MET 5 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 3k1q h ILE 6 N -1.40 0.27 -0.77 2.02 5.03 -2.00 -1.99 117.51 118.66 3k1q h ILE 6 Ca -0.58 0.00 0.22 0.00 -0.12 0.00 0.00 64.86 64.38 3k1q h ILE 6 Cb 1.32 0.27 -0.03 0.00 -3.03 0.00 0.00 36.82 35.35 3k1q h ILE 6 CO 0.44 0.00 0.58 -0.65 -0.68 0.00 0.00 178.15 177.84 3k1q h PRO 7 N -0.81 0.00 0.03 2.37 0.11 -1.95 -1.44 132.00 130.32 3k1q h PRO 7 Ca -0.05 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 3k1q h PRO 7 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 3k1q h PRO 7 CO 0.00 0.00 -0.01 1.96 -0.21 0.00 0.00 178.00 179.74 3k1q h GLN 8 N 0.00 -0.03 0.00 1.05 7.50 -1.75 -1.04 115.11 120.84 3k1q h GLN 8 Ca 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.52 3k1q h GLN 8 Cb 1.51 0.01 -0.00 0.00 0.05 0.00 0.00 27.48 29.05 3k1q h GLN 8 CO -0.00 0.65 -0.00 0.28 -1.50 0.00 0.00 178.83 178.25 3k1q h VAL 9 N -0.93 0.90 -0.45 -0.54 2.07 -1.31 -0.57 116.25 115.43 3k1q h VAL 9 Ca -0.00 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3k1q h VAL 9 Cb 0.70 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 3k1q h VAL 9 CO 0.01 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.84 3k1q h ALA 10 N 2.00 0.57 -0.57 1.67 0.00 -1.32 0.65 119.26 122.25 3k1q h ALA 10 Ca -0.00 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.93 3k1q h ALA 10 Cb 0.01 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 17.51 3k1q h ALA 10 CO 0.00 0.11 -0.27 0.45 0.00 0.00 0.00 179.25 179.54 3k1q h HIS 11 N 0.58 -0.69 -0.39 0.00 -0.00 -0.46 -0.61 115.15 113.58 3k1q h HIS 11 Ca 0.16 0.06 -0.03 0.00 -0.00 0.00 0.00 60.37 60.56 3k1q h HIS 11 Cb 0.07 0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 27.86 3k1q h HIS 11 CO -0.02 -0.34 0.12 0.00 -0.00 0.00 0.00 177.93 177.69 3k1q h ALA 12 N 1.20 0.51 -0.33 2.45 0.00 -0.98 0.21 119.26 122.32 3k1q h ALA 12 Ca 0.25 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3k1q h ALA 12 Cb 0.52 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 3k1q h ALA 12 CO -0.65 0.16 -0.42 1.98 0.00 0.00 0.00 179.25 180.32 3k1q h MET 13 N 0.49 -0.36 0.00 0.00 -1.53 0.12 -2.08 114.93 111.57 3k1q h MET 13 Ca 0.13 0.02 -0.03 0.00 -3.44 0.00 0.00 59.70 56.38 3k1q h MET 13 Cb 0.26 0.08 -0.00 0.00 -0.55 0.00 0.00 31.60 31.38 3k1q h MET 13 CO -0.00 -0.24 -0.13 -0.24 0.14 0.00 0.00 176.91 176.43 3k1q h VAL 14 N -0.37 0.89 -0.26 -5.77 3.04 -0.81 -1.96 116.25 111.01 3k1q h VAL 14 Ca 0.12 -0.49 -0.06 0.00 -1.01 0.00 0.00 66.70 65.25 3k1q h VAL 14 Cb 0.59 1.28 -0.01 0.00 -2.01 0.00 0.00 31.29 31.14 3k1q h VAL 14 CO -0.52 0.13 -0.12 -0.09 -1.01 0.00 0.00 177.57 175.96 3k1q h ARG 15 N 0.00 0.43 -0.47 4.17 9.65 -0.46 -0.39 114.38 127.31 3k1q h ARG 15 Ca -0.00 -0.11 -0.07 0.00 -1.10 0.00 0.00 59.98 58.70 3k1q h ARG 15 Cb 0.27 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 3k1q h ARG 15 CO 0.02 0.55 0.03 0.00 2.80 0.00 0.00 179.97 183.36 3k1q h ALA 16 N 1.48 1.16 -0.29 2.80 0.00 -0.71 -2.43 119.26 121.27 3k1q h ALA 16 Ca 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3k1q h ALA 16 Cb 0.45 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3k1q h ALA 16 CO 0.03 0.55 0.15 0.00 0.00 0.00 0.00 179.25 179.97 3k1q h ALA 17 N 1.31 0.38 0.00 0.00 0.00 -1.37 -2.75 119.26 116.83 3k1q h ALA 17 Ca 0.15 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3k1q h ALA 17 Cb 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3k1q h ALA 17 CO 0.01 -0.07 -0.30 0.00 0.00 0.00 0.00 179.25 178.89 3k1q h ALA 18 N 1.01 1.27 -0.83 0.00 0.00 -0.96 -2.90 119.26 116.85 3k1q h ALA 18 Ca 0.10 -0.27 -0.53 0.00 0.00 0.00 0.00 54.91 54.21 3k1q h ALA 18 Cb 0.10 -0.05 -0.29 0.00 0.00 0.00 0.00 17.79 17.55 3k1q h ALA 18 CO -0.01 0.38 0.30 0.00 0.00 0.00 0.00 179.25 179.91 3k1q n ALA 19 N -2.38 5.56 0.00 0.00 0.00 -0.93 -4.93 120.51 117.84 3k1q n ALA 19 Ca -0.01 -3.39 0.00 0.00 0.00 0.00 0.00 53.44 50.04 3k1q n ALA 19 Cb 0.38 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3k1q n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k1q n GLY 20 N -0.96 0.40 3.56 0.00 0.00 -1.06 -4.81 105.19 102.32 3k1q n GLY 20 Ca 0.53 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.25 3k1q n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k1q s ARG 21 N 0.00 2.53 -0.15 1.61 1.81 -1.07 -4.69 118.95 118.99 3k1q s ARG 21 Ca 0.00 0.06 0.00 0.00 -1.72 0.00 0.00 55.73 54.07 3k1q s ARG 21 Cb 0.00 -4.83 0.03 0.00 -0.45 0.00 0.00 34.95 29.70 3k1q s ARG 21 CO 0.00 -3.21 -0.10 -1.17 -0.68 0.00 0.00 175.30 170.13 3k1q s LEU 22 N 10.00 1.62 -1.05 2.53 2.96 -1.21 -4.61 118.68 128.92 3k1q s LEU 22 Ca 0.71 -0.52 -0.25 0.00 -0.22 0.00 0.00 54.13 53.85 3k1q s LEU 22 Cb -0.09 -1.05 -0.13 0.00 0.50 0.00 0.00 46.19 45.42 3k1q s LEU 22 CO 0.07 -0.11 2.05 0.42 -1.32 0.00 0.00 176.35 177.47 3k1q s THR 23 N 1.56 3.31 -1.33 3.68 -4.23 -1.26 -4.89 115.64 112.47 3k1q s THR 23 Ca 0.03 -0.44 -0.06 0.00 -1.18 0.00 0.00 61.69 60.04 3k1q s THR 23 Cb -0.14 -4.09 0.12 0.00 1.34 0.00 0.00 72.50 69.73 3k1q s THR 23 CO -0.09 -0.58 2.37 -0.11 -0.54 0.00 0.00 174.62 175.67 3k1q n LEU 24 N 16.45 8.00 -4.42 4.79 7.94 -1.26 -3.06 117.00 145.43 3k1q n LEU 24 Ca 0.43 -4.86 -0.42 0.00 -1.11 0.00 0.00 56.01 50.05 3k1q n LEU 24 Cb 0.46 -1.37 -0.10 0.00 0.53 0.00 0.00 43.42 42.94 3k1q n LEU 24 CO 0.62 2.03 -0.09 -0.47 -1.11 0.00 0.00 177.39 178.36 3k1q s TYR 25 N -0.98 3.24 0.50 1.96 6.04 -1.19 -0.49 117.35 126.44 3k1q s TYR 25 Ca 0.54 -0.77 -0.04 0.00 0.04 0.00 0.00 57.07 56.84 3k1q s TYR 25 Cb 0.18 -2.59 -0.02 0.00 -1.04 0.00 0.00 41.96 38.49 3k1q s TYR 25 CO -0.09 -0.63 0.79 -0.08 -1.54 0.00 0.00 175.55 174.00 3k1q s THR 26 N 1.63 4.39 0.00 4.34 -1.32 -0.52 0.80 115.64 124.96 3k1q s THR 26 Ca 0.04 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.50 3k1q s THR 26 Cb -0.20 -3.68 0.00 0.00 -1.51 0.00 0.00 72.50 67.12 3k1q s THR 26 CO 0.08 -0.63 0.01 -2.11 -2.21 0.00 0.00 174.62 169.76 3k1q n ARG 27 N -2.30 0.00 0.01 7.08 0.00 -1.26 0.05 116.66 120.23 3k1q n ARG 27 Ca 0.02 0.01 -0.04 0.00 -0.00 0.00 0.00 57.85 57.83 3k1q n ARG 27 Cb 0.56 -0.01 -0.11 0.00 -0.00 0.00 0.00 32.46 32.90 3k1q n ARG 27 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 3k1q h THR 28 N 0.00 0.69 -3.64 8.89 1.35 -2.01 -3.48 112.91 114.71 3k1q h THR 28 Ca 0.00 -2.37 -0.64 0.00 -0.55 0.00 0.00 66.41 62.85 3k1q h THR 28 Cb 0.00 2.24 -0.19 0.00 -1.73 0.00 0.00 68.15 68.48 3k1q h THR 28 CO 0.00 0.40 -0.57 -0.60 -0.25 0.00 0.00 175.52 174.50 3k1q s ARG 29 N -2.76 3.86 0.52 4.72 3.52 0.11 -5.01 118.95 123.91 3k1q s ARG 29 Ca -0.04 -0.38 0.19 0.00 -0.13 0.00 0.00 55.73 55.38 3k1q s ARG 29 Cb 0.08 -3.43 1.30 0.00 -1.56 0.00 0.00 34.95 31.34 3k1q s ARG 29 CO 0.82 -0.06 2.07 1.15 -0.81 0.00 0.00 175.30 178.47 3k1q h THR 30 N 5.29 0.89 -4.15 4.11 2.02 -1.89 -1.38 112.91 117.80 3k1q h THR 30 Ca -0.37 -0.01 -0.46 0.00 0.77 0.00 0.00 66.41 66.34 3k1q h THR 30 Cb 1.18 0.84 -0.29 0.00 -1.74 0.00 0.00 68.15 68.14 3k1q h THR 30 CO 0.60 0.01 -0.80 -0.70 0.37 0.00 0.00 175.52 175.00 3k1q s GLU 31 N -5.08 1.02 -0.90 6.66 2.56 -1.26 -3.50 118.70 118.20 3k1q s GLU 31 Ca -0.05 -0.48 -0.21 0.00 0.00 0.00 0.00 54.97 54.23 3k1q s GLU 31 Cb 0.18 -0.99 -0.12 0.00 2.00 0.00 0.00 34.13 35.21 3k1q s GLU 31 CO 0.70 0.27 1.98 2.41 -0.56 0.00 0.00 175.26 180.06 3k1q n THR 32 N 2.69 2.12 0.30 -1.70 -1.04 0.36 -4.73 114.28 112.28 3k1q n THR 32 Ca -0.14 -1.86 -0.12 0.00 -2.04 0.00 0.00 64.05 59.88 3k1q n THR 32 Cb 0.56 -2.37 -0.06 0.00 -1.82 0.00 0.00 70.33 66.64 3k1q n THR 32 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 3k1q h THR 33 N 4.42 0.00 -4.32 12.58 1.35 -1.91 -3.45 112.91 121.58 3k1q h THR 33 Ca 0.45 -0.38 -0.50 0.00 -0.55 0.00 0.00 66.41 65.42 3k1q h THR 33 Cb 0.67 0.00 0.05 0.00 -1.73 0.00 0.00 68.15 67.14 3k1q h THR 33 CO 1.94 0.00 0.41 0.54 -0.25 0.00 0.00 175.52 178.15 3k1q s ASN 34 N -4.54 6.22 0.00 5.36 2.20 -1.26 -4.96 114.94 117.96 3k1q s ASN 34 Ca -0.12 1.48 0.00 0.00 -0.94 0.00 0.00 52.86 53.28 3k1q s ASN 34 Cb 0.01 -2.48 0.00 0.00 -2.00 0.00 0.00 41.25 36.78 3k1q s ASN 34 CO 0.35 -0.87 0.78 0.33 -2.94 0.00 0.00 177.10 174.75 3k1q n PHE 35 N -2.52 0.00 -2.59 1.54 -0.00 -1.26 -4.65 117.46 107.98 3k1q n PHE 35 Ca 0.06 -0.39 -0.43 0.00 -0.00 0.00 0.00 57.45 56.69 3k1q n PHE 35 Cb 0.54 -0.25 0.00 0.00 -0.00 0.00 0.00 39.48 39.77 3k1q n PHE 35 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3k1q n ASP 36 N 1.01 4.98 0.00 -2.13 2.03 -1.26 -4.68 116.55 116.50 3k1q n ASP 36 Ca 0.00 -2.98 0.00 0.00 0.52 0.00 0.00 54.79 52.33 3k1q n ASP 36 Cb 0.30 -1.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.10 3k1q n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3k1q n HIS 37 N 5.84 0.00 -0.88 -0.67 -0.00 -1.26 -4.73 115.22 113.52 3k1q n HIS 37 Ca 0.42 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.81 3k1q n HIS 37 Cb 0.41 0.00 0.13 0.00 -0.00 0.00 0.00 29.99 30.54 3k1q n HIS 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3k1q n ALA 38 N 0.09 -1.29 -0.01 1.59 0.00 -1.26 -4.31 120.51 115.31 3k1q n ALA 38 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 53.44 52.94 3k1q n ALA 38 Cb 0.00 -2.04 -0.01 0.00 0.00 0.00 0.00 19.45 17.40 3k1q n ALA 38 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3k1q n GLU 39 N -2.81 1.68 -3.59 0.00 2.13 0.54 -0.23 120.64 118.36 3k1q n GLU 39 Ca 0.10 0.01 -0.29 0.00 0.66 0.00 0.00 57.16 57.64 3k1q n GLU 39 Cb 0.52 -1.05 -0.12 0.00 0.27 0.00 0.00 31.44 31.06 3k1q n GLU 39 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 3k1q s TYR 40 N -2.04 1.55 -0.49 4.31 -0.00 0.24 -3.78 117.35 117.14 3k1q s TYR 40 Ca -0.02 -2.23 -0.13 0.00 -0.00 0.00 0.00 57.07 54.69 3k1q s TYR 40 Cb 0.01 -1.47 0.11 0.00 -0.00 0.00 0.00 41.96 40.60 3k1q s TYR 40 CO 0.06 -0.79 0.40 0.08 -0.00 0.00 0.00 175.55 175.30 3k1q s VAL 41 N 0.38 4.77 -1.09 -3.49 1.01 0.09 -3.20 120.40 118.88 3k1q s VAL 41 Ca 0.21 -1.47 -0.27 0.00 0.00 0.00 0.00 61.98 60.45 3k1q s VAL 41 Cb -0.17 -4.01 -0.23 0.00 0.00 0.00 0.00 36.38 31.97 3k1q s VAL 41 CO -0.05 -0.72 2.12 0.42 0.00 0.00 0.00 175.10 176.87 3k1q s THR 42 N 1.51 3.04 -1.22 3.92 -4.23 -1.26 -0.67 115.64 116.73 3k1q s THR 42 Ca 0.04 -0.07 -0.13 0.00 -1.18 0.00 0.00 61.69 60.36 3k1q s THR 42 Cb -0.27 -4.00 0.17 0.00 1.34 0.00 0.00 72.50 69.74 3k1q s THR 42 CO 0.03 -0.07 1.53 0.00 -0.54 0.00 0.00 174.62 175.56 3k1q n GLY 44 N 3.76 -0.98 4.64 0.00 0.00 -1.26 -1.83 105.19 109.52 3k1q n GLY 44 Ca 0.37 0.80 0.00 0.00 0.00 0.00 0.00 46.02 47.19 3k1q n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1q n ARG 45 N -1.48 0.00 -2.01 1.61 5.12 -1.26 -4.97 116.66 113.67 3k1q n ARG 45 Ca -0.11 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.54 3k1q n ARG 45 Cb 0.60 -1.20 -0.05 0.00 -1.16 0.00 0.00 32.46 30.65 3k1q n ARG 45 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3k1q s TYR 46 N 0.00 1.74 -0.95 -1.55 2.02 -0.76 -4.89 117.35 112.96 3k1q s TYR 46 Ca 0.00 0.75 -0.26 0.00 -0.37 0.00 0.00 57.07 57.19 3k1q s TYR 46 Cb 0.00 -4.00 -0.19 0.00 -0.40 0.00 0.00 41.96 37.37 3k1q s TYR 46 CO 0.00 -1.81 2.24 0.95 -1.57 0.00 0.00 175.55 175.37 3k1q s THR 47 N 10.32 3.03 0.24 -0.71 -4.23 -1.25 0.15 115.64 123.18 3k1q s THR 47 Ca 0.72 -0.04 -0.31 0.00 -1.18 0.00 0.00 61.69 60.87 3k1q s THR 47 Cb -0.08 -3.57 -0.12 0.00 1.34 0.00 0.00 72.50 70.07 3k1q s THR 47 CO 0.03 -0.06 1.61 -0.38 -0.54 0.00 0.00 174.62 175.28 3k1q n ILE 48 N 8.92 0.54 -3.91 2.99 5.41 0.15 -1.75 119.36 131.71 3k1q n ILE 48 Ca 0.44 -0.14 -0.31 0.00 1.00 0.00 0.00 62.75 63.75 3k1q n ILE 48 Cb 0.45 -1.84 -0.15 0.00 -0.71 0.00 0.00 39.64 37.39 3k1q n ILE 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3k1q h ALA 50 N 7.83 1.82 -0.70 0.00 0.00 -0.82 0.27 119.26 127.66 3k1q h ALA 50 Ca -0.10 -0.09 0.24 0.00 0.00 0.00 0.00 54.91 54.96 3k1q h ALA 50 Cb 1.03 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.66 3k1q h ALA 50 CO 0.48 0.14 0.19 1.19 0.00 0.00 0.00 179.25 181.25 3k1q n PHE 51 N -4.42 0.62 -0.44 0.00 3.72 -0.98 -2.12 117.46 113.84 3k1q n PHE 51 Ca -0.02 0.83 0.01 0.00 -0.05 0.00 0.00 57.45 58.21 3k1q n PHE 51 Cb 0.17 -1.13 0.01 0.00 -0.94 0.00 0.00 39.48 37.59 3k1q n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k1q n LEU 53 N -0.39 0.00 0.00 0.00 4.77 -0.69 -4.13 117.00 116.56 3k1q n LEU 53 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3k1q n LEU 53 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3k1q n LEU 53 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.47 3k1q n THR 54 N -0.17 0.00 -4.03 -5.08 -1.04 -1.24 -4.63 114.28 98.10 3k1q n THR 54 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 3k1q n THR 54 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 3k1q n THR 54 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3k1q s THR 55 N 0.00 0.35 0.00 12.58 -4.23 -1.26 -0.75 115.64 122.33 3k1q s THR 55 Ca 0.00 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 3k1q s THR 55 Cb 0.00 -0.46 0.00 0.00 1.34 0.00 0.00 72.50 73.38 3k1q s THR 55 CO 0.00 -0.43 0.00 0.18 -0.54 0.00 0.00 174.62 173.83 3k1q n LEU 56 N 1.52 0.00 -4.74 4.79 4.77 -0.72 -4.73 117.00 117.90 3k1q n LEU 56 Ca -0.23 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.41 3k1q n LEU 56 Cb 0.55 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.56 3k1q n LEU 56 CO 0.20 0.00 -0.28 0.00 -1.33 0.00 0.00 177.39 175.99 3k1q s ALA 57 N 0.00 3.46 0.61 -1.18 0.00 -1.26 -4.84 121.76 118.55 3k1q s ALA 57 Ca 0.00 -0.88 -0.19 0.00 0.00 0.00 0.00 51.96 50.89 3k1q s ALA 57 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.59 3k1q s ALA 57 CO 0.00 0.66 1.33 -1.25 0.00 0.00 0.00 175.76 176.50 3k1q s PRO 58 N -1.52 2.75 0.19 0.00 0.04 -1.26 -4.49 135.00 130.70 3k1q s PRO 58 Ca 0.20 2.15 -0.11 0.00 0.04 0.00 0.00 61.00 63.29 3k1q s PRO 58 Cb -0.12 -2.00 0.11 0.00 0.04 0.00 0.00 34.50 32.53 3k1q s PRO 58 CO 0.11 -1.47 1.77 0.45 0.04 0.00 0.00 177.00 177.90 3k1q h HIS 59 N 0.87 0.97 -4.38 0.56 3.86 -1.90 -3.46 115.15 111.68 3k1q h HIS 59 Ca -0.51 -0.05 -0.35 0.00 -1.16 0.00 0.00 60.37 58.30 3k1q h HIS 59 Cb 1.33 -0.30 -0.09 0.00 1.06 0.00 0.00 27.41 29.40 3k1q h HIS 59 CO 0.43 0.73 -0.28 0.00 0.86 0.00 0.00 177.93 179.67 3k1q s ALA 60 N -5.68 1.15 -0.88 2.45 0.00 -1.26 -5.02 121.76 112.52 3k1q s ALA 60 Ca -0.13 -1.72 0.01 0.00 0.00 0.00 0.00 51.96 50.13 3k1q s ALA 60 Cb 0.14 1.26 0.09 0.00 0.00 0.00 0.00 23.12 24.60 3k1q s ALA 60 CO 0.80 -0.75 0.66 0.09 0.00 0.00 0.00 175.76 176.55 3k1q n ASN 61 N -1.53 1.58 -4.28 0.00 4.13 -1.26 -4.73 115.26 109.17 3k1q n ASN 61 Ca 0.03 -2.10 -0.43 0.00 1.68 0.00 0.00 54.58 53.75 3k1q n ASN 61 Cb 0.62 -0.52 -0.01 0.00 -1.54 0.00 0.00 39.78 38.32 3k1q n ASN 61 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3k1q n VAL 62 N 0.08 4.30 0.22 2.41 0.31 -1.26 -4.89 118.33 119.50 3k1q n VAL 62 Ca 0.03 -5.35 0.16 0.00 -0.01 0.00 0.00 64.34 59.17 3k1q n VAL 62 Cb 0.37 -2.53 0.67 0.00 -0.91 0.00 0.00 33.84 31.44 3k1q n VAL 62 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3k1q h LYS 63 N 6.47 0.00 0.03 5.55 6.56 -1.98 -0.76 116.57 132.45 3k1q h LYS 63 Ca 0.18 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.77 3k1q h LYS 63 Cb 0.85 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.51 3k1q h LYS 63 CO 1.00 0.00 -0.02 1.79 -2.06 0.00 0.00 179.45 180.16 3k1q h THR 64 N 0.00 1.12 -0.22 -0.16 1.35 -1.98 0.41 112.91 113.42 3k1q h THR 64 Ca 0.10 -0.46 -0.12 0.00 -0.55 0.00 0.00 66.41 65.37 3k1q h THR 64 Cb 1.11 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.94 3k1q h THR 64 CO -0.00 0.12 -0.39 0.16 -0.25 0.00 0.00 175.52 175.15 3k1q h ILE 65 N -0.24 1.30 -0.53 6.82 3.07 -1.60 -2.02 117.51 124.30 3k1q h ILE 65 Ca -0.00 -1.54 -0.02 0.00 1.55 0.00 0.00 64.86 64.85 3k1q h ILE 65 Cb 0.23 1.56 -0.02 0.00 -0.27 0.00 0.00 36.82 38.31 3k1q h ILE 65 CO 0.01 0.48 0.26 1.56 -1.05 0.00 0.00 178.15 179.41 3k1q h GLN 66 N 0.41 0.76 -0.30 0.16 7.50 -1.22 0.17 115.11 122.59 3k1q h GLN 66 Ca 0.04 -0.11 -0.06 0.00 0.50 0.00 0.00 58.65 59.02 3k1q h GLN 66 Cb 0.87 -0.14 -0.02 0.00 0.05 0.00 0.00 27.48 28.24 3k1q h GLN 66 CO 0.07 0.62 -0.06 -0.44 -1.50 0.00 0.00 178.83 177.52 3k1q h ASP 67 N 0.71 0.46 -0.54 1.46 3.32 -1.00 -2.59 116.42 118.24 3k1q h ASP 67 Ca 0.18 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.14 3k1q h ASP 67 Cb 0.10 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3k1q h ASP 67 CO -0.02 0.58 0.36 0.28 -1.72 0.00 0.00 179.24 178.71 3k1q h SER 68 N 0.46 0.62 -0.85 6.45 0.02 -1.03 0.54 113.55 119.75 3k1q h SER 68 Ca 0.09 -0.02 0.22 0.00 -0.84 0.00 0.00 61.79 61.24 3k1q h SER 68 Cb 0.40 -0.15 -0.14 0.00 0.14 0.00 0.00 62.40 62.65 3k1q h SER 68 CO 0.02 0.45 0.19 0.45 -1.14 0.00 0.00 176.83 176.80 3k1q h HIS 69 N 0.73 0.28 0.12 3.45 3.86 -0.30 -0.48 115.15 122.82 3k1q h HIS 69 Ca 0.20 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 3k1q h HIS 69 Cb -0.08 0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.40 3k1q h HIS 69 CO -0.04 -0.20 -0.06 0.00 0.86 0.00 0.00 177.93 178.49 3k1q h ALA 70 N 1.76 -1.04 -0.90 2.45 0.00 -1.07 -3.06 119.26 117.39 3k1q h ALA 70 Ca 0.52 -0.04 0.35 0.00 0.00 0.00 0.00 54.91 55.74 3k1q h ALA 70 Cb 1.01 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.75 3k1q h ALA 70 CO -0.65 -1.03 0.54 0.00 0.00 0.00 0.00 179.25 178.11 3k1q h SER 72 N 0.00 0.23 -0.30 0.00 0.02 -0.98 0.23 113.55 112.74 3k1q h SER 72 Ca 0.67 0.10 -0.15 0.00 -0.84 0.00 0.00 61.79 61.57 3k1q h SER 72 Cb 1.95 0.09 -0.09 0.00 0.14 0.00 0.00 62.40 64.49 3k1q h SER 72 CO -0.50 0.10 0.19 -2.11 -1.14 0.00 0.00 176.83 173.37 3k1q n ARG 73 N -5.02 1.42 -0.34 3.45 1.85 0.20 -4.34 116.66 113.89 3k1q n ARG 73 Ca 0.13 -0.93 0.18 0.00 -1.00 0.00 0.00 57.85 56.22 3k1q n ARG 73 Cb 0.38 -1.38 0.40 0.00 -1.05 0.00 0.00 32.46 30.81 3k1q n ARG 73 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 3k1q h GLN 74 N 0.35 0.57 -0.89 2.89 5.75 -0.46 0.14 115.11 123.45 3k1q h GLN 74 Ca 0.19 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.72 3k1q h GLN 74 Cb 1.55 -0.13 -0.06 0.00 1.07 0.00 0.00 27.48 29.92 3k1q h GLN 74 CO 0.33 0.37 0.58 -1.35 -2.65 0.00 0.00 178.83 176.12 3k1q h PRO 75 N 0.58 0.98 -0.05 -2.39 0.11 -1.82 -2.41 132.00 127.00 3k1q h PRO 75 Ca 0.61 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.58 3k1q h PRO 75 Cb 1.20 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3k1q h PRO 75 CO -0.40 0.65 -0.30 -0.97 -0.21 0.00 0.00 178.00 176.77 3k1q h ASN 76 N 1.01 0.34 0.32 -2.05 -0.73 -1.27 0.21 115.58 113.41 3k1q h ASN 76 Ca 0.39 -0.68 0.00 0.00 1.87 0.00 0.00 56.30 57.88 3k1q h ASN 76 Cb 0.21 -0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.67 3k1q h ASN 76 CO -0.14 0.97 -0.36 -0.08 -0.37 0.00 0.00 177.43 177.44 3k1q h GLU 77 N -0.26 -0.69 -0.78 6.67 4.81 -0.89 -1.47 114.58 121.97 3k1q h GLU 77 Ca -0.02 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.39 3k1q h GLU 77 Cb 0.97 0.16 -0.09 0.00 0.63 0.00 0.00 28.75 30.42 3k1q h GLU 77 CO 0.06 -0.46 0.36 0.00 -0.73 0.00 0.00 179.01 178.24 3k1q h ALA 78 N -0.24 1.12 -0.37 2.92 0.00 -1.37 -1.12 119.26 120.20 3k1q h ALA 78 Ca -0.02 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3k1q h ALA 78 Cb 0.66 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3k1q h ALA 78 CO -0.08 -0.13 0.11 -0.84 0.00 0.00 0.00 179.25 178.30 3k1q h ILE 79 N 0.54 1.22 0.16 0.00 3.07 -0.96 -1.22 117.51 120.32 3k1q h ILE 79 Ca 0.42 -0.72 0.01 0.00 1.55 0.00 0.00 64.86 66.12 3k1q h ILE 79 Cb 0.58 0.98 -0.02 0.00 -0.27 0.00 0.00 36.82 38.08 3k1q h ILE 79 CO -0.36 0.25 -0.20 -0.09 -1.05 0.00 0.00 178.15 176.70 3k1q h ARG 80 N 0.46 -0.39 -0.69 0.16 1.12 -0.58 -0.23 114.38 114.22 3k1q h ARG 80 Ca 0.12 0.03 0.03 0.00 -1.11 0.00 0.00 59.98 59.04 3k1q h ARG 80 Cb 0.27 0.09 -0.04 0.00 -0.01 0.00 0.00 29.97 30.28 3k1q h ARG 80 CO -0.00 -0.26 0.43 0.77 -3.11 0.00 0.00 179.97 177.80 3k1q h SER 81 N -0.41 0.72 -0.27 -3.80 0.02 -1.04 -1.96 113.55 106.81 3k1q h SER 81 Ca 0.01 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3k1q h SER 81 Cb 0.40 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3k1q h SER 81 CO -0.07 0.50 0.15 0.25 -1.14 0.00 0.00 176.83 176.51 3k1q h LEU 82 N 0.85 0.33 -0.50 5.07 5.85 -0.92 0.11 115.31 126.10 3k1q h LEU 82 Ca 0.27 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 3k1q h LEU 82 Cb 0.00 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3k1q h LEU 82 CO -0.10 0.32 -0.10 0.58 -0.34 0.00 0.00 178.44 178.81 3k1q h VAL 83 N 0.32 1.27 0.08 1.05 2.07 -0.99 -0.01 116.25 120.04 3k1q h VAL 83 Ca 0.09 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 66.38 3k1q h VAL 83 Cb 0.06 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3k1q h VAL 83 CO -0.02 0.43 -0.32 -0.33 0.02 0.00 0.00 177.57 177.36 3k1q h GLU 84 N 0.82 -0.44 -0.23 1.57 4.39 -0.33 -1.85 114.58 118.50 3k1q h GLU 84 Ca 0.13 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.88 3k1q h GLU 84 Cb 0.65 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 3k1q h GLU 84 CO 0.05 -0.29 -0.14 0.28 -1.16 0.00 0.00 179.01 177.75 3k1q n VAL 85 N -4.25 -0.16 -0.11 3.13 0.31 0.23 -1.16 118.33 116.32 3k1q n VAL 85 Ca -0.05 1.37 0.19 0.00 -0.01 0.00 0.00 64.34 65.84 3k1q n VAL 85 Cb 0.25 -1.77 0.61 0.00 -0.91 0.00 0.00 33.84 32.01 3k1q n VAL 85 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3k1q h SER 86 N 0.00 0.19 -1.09 4.52 0.02 -0.80 0.75 113.55 117.13 3k1q h SER 86 Ca 0.04 0.01 -0.68 0.00 -0.84 0.00 0.00 61.79 60.32 3k1q h SER 86 Cb 0.09 -0.02 -0.30 0.00 0.14 0.00 0.00 62.40 62.31 3k1q h SER 86 CO -0.22 0.09 0.70 0.47 -1.14 0.00 0.00 176.83 176.73 3k1q n ASP 87 N -4.41 7.36 0.00 3.07 8.00 -0.31 -4.03 116.55 126.22 3k1q n ASP 87 Ca 0.13 -3.79 0.00 0.00 0.71 0.00 0.00 54.79 51.84 3k1q n ASP 87 Cb 0.63 -0.92 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 3k1q n ASP 87 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3k1q n LYS 88 N -0.85 0.00 -3.65 -1.24 5.02 -0.57 -1.69 118.16 115.19 3k1q n LYS 88 Ca 0.60 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.88 3k1q n LYS 88 Cb 0.64 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.59 3k1q n LYS 88 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k1q s ALA 89 N -1.82 -2.46 0.26 7.82 0.00 0.26 -3.30 121.76 122.52 3k1q s ALA 89 Ca 0.00 2.07 -0.20 0.00 0.00 0.00 0.00 51.96 53.82 3k1q s ALA 89 Cb 0.00 -1.84 0.06 0.00 0.00 0.00 0.00 23.12 21.34 3k1q s ALA 89 CO 0.00 -0.32 0.90 1.14 0.00 0.00 0.00 175.76 177.48 3k1q s GLN 90 N 1.11 1.69 -0.47 0.00 1.03 -1.26 -4.00 119.66 117.75 3k1q s GLN 90 Ca -0.08 -1.05 -0.19 0.00 0.04 0.00 0.00 55.36 54.08 3k1q s GLN 90 Cb -0.03 0.50 -0.12 0.00 0.03 0.00 0.00 33.01 33.39 3k1q s GLN 90 CO -0.12 -0.79 1.41 0.25 -2.54 0.00 0.00 175.29 173.50 3k1q n THR 91 N -0.57 0.00 -1.64 3.63 -2.24 -1.26 -4.77 114.28 107.43 3k1q n THR 91 Ca -0.06 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.33 3k1q n THR 91 Cb 0.60 -0.28 0.03 0.00 -2.10 0.00 0.00 70.33 68.58 3k1q n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q n ALA 92 N 5.35 0.51 -1.63 6.98 0.00 -1.26 -4.76 120.51 125.71 3k1q n ALA 92 Ca 0.35 0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.77 3k1q n ALA 92 Cb 0.01 -2.15 -0.11 0.00 0.00 0.00 0.00 19.45 17.19 3k1q n ALA 92 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3k1q s LEU 93 N -1.63 2.39 -0.73 0.00 2.96 -1.26 -4.84 118.68 115.57 3k1q s LEU 93 Ca 0.69 -0.97 -0.23 0.00 -0.22 0.00 0.00 54.13 53.39 3k1q s LEU 93 Cb -0.47 -2.60 0.07 0.00 0.50 0.00 0.00 46.19 43.69 3k1q s LEU 93 CO 0.52 -4.70 1.08 -0.69 -1.32 0.00 0.00 176.35 171.25 3k1q s VAL 94 N 16.81 4.22 0.46 1.68 1.01 -1.26 -4.85 120.40 138.46 3k1q s VAL 94 Ca 0.81 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.43 3k1q s VAL 94 Cb -0.05 -4.77 0.00 0.00 0.00 0.00 0.00 36.38 31.56 3k1q s VAL 94 CO 0.18 -1.58 0.00 0.61 0.00 0.00 0.00 175.10 174.31 3k1q n GLY 95 N 5.46 -3.46 2.86 4.51 0.00 -1.26 -1.60 105.19 111.69 3k1q n GLY 95 Ca 0.03 -1.06 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 3k1q n GLY 95 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k1q s SER 96 N -5.73 0.65 0.11 1.61 0.15 -1.26 -2.01 113.70 107.21 3k1q s SER 96 Ca 0.00 -0.08 -0.34 0.00 0.70 0.00 0.00 55.95 56.23 3k1q s SER 96 Cb 0.00 -0.32 -0.14 0.00 -1.71 0.00 0.00 66.02 63.84 3k1q s SER 96 CO 0.00 -0.07 1.55 0.03 1.20 0.00 0.00 173.24 175.95 3k1q h ARG 97 N 7.17 -0.68 -1.85 5.44 3.08 -1.88 -3.33 114.38 122.33 3k1q h ARG 97 Ca -0.41 0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.65 3k1q h ARG 97 Cb 1.14 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.33 3k1q h ARG 97 CO 0.48 -0.45 0.05 0.25 -1.07 0.00 0.00 179.97 179.22 3k1q n THR 98 N -5.44 2.00 0.00 2.04 -2.24 -1.26 -4.91 114.28 104.46 3k1q n THR 98 Ca -0.08 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3k1q n THR 98 Cb 0.40 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.20 3k1q n THR 98 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3k1q n VAL 99 N 1.28 0.00 -2.84 2.28 0.31 -1.25 -4.09 118.33 114.01 3k1q n VAL 99 Ca 0.03 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.36 3k1q n VAL 99 Cb 0.51 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.45 3k1q n VAL 99 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3k1q s ASP 100 N -4.00 -0.78 -0.04 4.52 2.15 -1.26 -4.89 116.67 112.36 3k1q s ASP 100 Ca 0.00 -0.62 0.13 0.00 0.43 0.00 0.00 52.55 52.49 3k1q s ASP 100 Cb 0.00 1.01 0.45 0.00 -0.30 0.00 0.00 42.92 44.08 3k1q s ASP 100 CO 0.00 -0.06 1.34 -1.22 -0.17 0.00 0.00 175.17 175.05 3k1q n TYR 101 N 3.45 0.84 -4.24 -5.34 4.02 -0.38 -4.92 117.16 110.60 3k1q n TYR 101 Ca 0.10 -0.36 -0.13 0.00 -0.01 0.00 0.00 57.90 57.50 3k1q n TYR 101 Cb 0.61 -0.10 -0.10 0.00 -0.02 0.00 0.00 39.34 39.72 3k1q n TYR 101 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 176.86 172.47 3k1q s HIS 102 N -1.58 1.20 -0.14 -0.72 -3.43 -1.26 -1.02 115.29 108.33 3k1q s HIS 102 Ca 0.33 -0.93 -0.12 0.00 -0.80 0.00 0.00 55.06 53.54 3k1q s HIS 102 Cb 0.19 -0.67 0.04 0.00 -1.43 0.00 0.00 32.58 30.71 3k1q s HIS 102 CO 0.18 -0.12 0.36 -2.00 -2.00 0.00 0.00 174.74 171.17 3k1q s GLU 103 N -3.86 0.42 -0.72 -0.38 2.56 -0.43 -5.02 118.70 111.27 3k1q s GLU 103 Ca 0.20 0.53 -0.06 0.00 0.00 0.00 0.00 54.97 55.64 3k1q s GLU 103 Cb 0.05 0.18 0.19 0.00 2.00 0.00 0.00 34.13 36.55 3k1q s GLU 103 CO 0.02 -0.06 0.58 -1.17 -0.56 0.00 0.00 175.26 174.07 3k1q s LEU 104 N 0.31 5.72 -1.04 2.70 2.96 -1.26 -2.11 118.68 125.95 3k1q s LEU 104 Ca -0.01 -2.92 -0.08 0.00 -0.22 0.00 0.00 54.13 50.89 3k1q s LEU 104 Cb -0.03 -1.97 0.26 0.00 0.50 0.00 0.00 46.19 44.95 3k1q s LEU 104 CO -0.01 -0.40 1.02 -1.81 -1.32 0.00 0.00 176.35 173.83 3k1q s ASP 105 N 1.01 7.04 0.00 3.68 -0.00 0.10 -4.94 116.67 123.57 3k1q s ASP 105 Ca 0.19 -3.51 -0.02 0.00 -0.00 0.00 0.00 52.55 49.21 3k1q s ASP 105 Cb -0.16 -2.16 -0.10 0.00 -0.00 0.00 0.00 42.92 40.50 3k1q s ASP 105 CO -0.06 -0.30 2.07 1.33 -0.00 0.00 0.00 175.17 178.21 3k1q n VAL 106 N 2.79 1.76 -3.26 -1.27 0.24 -1.26 -1.66 118.33 115.68 3k1q n VAL 106 Ca 0.22 -0.71 -0.35 0.00 -2.04 0.00 0.00 64.34 61.46 3k1q n VAL 106 Cb 0.40 -1.61 -0.04 0.00 -1.47 0.00 0.00 33.84 31.12 3k1q n VAL 106 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3k1q n LYS 107 N 2.18 3.42 0.00 7.34 5.02 -1.26 -4.83 118.16 130.03 3k1q n LYS 107 Ca 0.16 -4.61 0.00 0.00 -2.02 0.00 0.00 58.31 51.84 3k1q n LYS 107 Cb 0.50 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 3k1q n LYS 107 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k1q n ALA 108 N 1.20 0.00 -2.60 7.82 0.00 -1.26 -4.50 120.51 121.16 3k1q n ALA 108 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.31 3k1q n ALA 108 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 3k1q n ALA 108 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3k1q s GLY 109 N 0.00 1.81 -0.79 0.00 0.00 -1.26 -4.12 107.32 102.96 3k1q s GLY 109 Ca 0.00 -0.65 -0.26 0.00 0.00 0.00 0.00 44.72 43.82 3k1q s GLY 109 CO 0.00 1.34 1.60 -1.36 0.00 0.00 0.00 173.10 174.69 3k1q s PHE 110 N 2.45 2.07 -1.00 1.90 0.40 0.22 -4.82 117.98 119.20 3k1q s PHE 110 Ca 0.23 0.15 -0.23 0.00 -0.60 0.00 0.00 56.93 56.47 3k1q s PHE 110 Cb -0.15 -4.38 -0.01 0.00 0.51 0.00 0.00 43.02 38.98 3k1q s PHE 110 CO 0.10 -2.05 1.76 0.08 0.70 0.00 0.00 175.22 175.81 3k1q s VAL 111 N 7.33 3.67 -0.59 -0.44 1.01 -0.66 -2.34 120.40 128.37 3k1q s VAL 111 Ca 0.53 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.85 3k1q s VAL 111 Cb -0.07 -4.51 0.15 0.00 0.00 0.00 0.00 36.38 31.94 3k1q s VAL 111 CO 0.08 -1.37 0.37 0.00 0.00 0.00 0.00 175.10 174.18 3k1q s ALA 112 N 8.00 3.50 0.14 5.51 0.00 0.13 0.01 121.76 139.05 3k1q s ALA 112 Ca 0.60 -3.35 -0.30 0.00 0.00 0.00 0.00 51.96 48.91 3k1q s ALA 112 Cb -0.03 -2.39 -0.07 0.00 0.00 0.00 0.00 23.12 20.63 3k1q s ALA 112 CO -0.02 -2.07 1.15 -1.25 0.00 0.00 0.00 175.76 173.57 3k1q s PRO 113 N -0.36 4.52 -0.26 0.00 0.04 -0.90 -0.89 135.00 137.15 3k1q s PRO 113 Ca 0.18 1.76 -0.06 0.00 0.04 0.00 0.00 61.00 62.92 3k1q s PRO 113 Cb -0.21 -3.30 -0.00 0.00 0.04 0.00 0.00 34.50 31.02 3k1q s PRO 113 CO -0.03 -0.07 0.04 0.99 0.04 0.00 0.00 177.00 177.97 3k1q s THR 114 N 0.25 3.84 -0.12 1.26 2.01 0.13 -1.31 115.64 121.69 3k1q s THR 114 Ca 0.53 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 62.02 3k1q s THR 114 Cb -0.30 -2.87 0.02 0.00 0.01 0.00 0.00 72.50 69.36 3k1q s THR 114 CO 0.33 0.25 -0.12 0.00 -0.69 0.00 0.00 174.62 174.38 3k1q s ALA 115 N 1.52 1.62 0.00 7.40 0.00 -0.19 -0.58 121.76 131.53 3k1q s ALA 115 Ca 0.04 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.28 3k1q s ALA 115 Cb -0.16 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.04 3k1q s ALA 115 CO 0.01 -0.28 0.00 -3.47 0.00 0.00 0.00 175.76 172.02 3k1q n ASP 116 N 4.61 0.00 -3.57 0.00 -0.08 0.93 -3.65 116.55 114.80 3k1q n ASP 116 Ca -0.17 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.81 3k1q n ASP 116 Cb 0.50 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.91 3k1q n ASP 116 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3k1q n GLU 117 N 0.00 3.00 0.00 -0.67 1.02 -1.26 -4.25 120.64 118.48 3k1q n GLU 117 Ca 0.00 -4.65 0.00 0.00 -0.02 0.00 0.00 57.16 52.49 3k1q n GLU 117 Cb 0.00 -2.32 0.00 0.00 -0.02 0.00 0.00 31.44 29.10 3k1q n GLU 117 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3k1q n THR 118 N 0.97 0.00 -3.91 2.62 -2.24 -1.24 -4.13 114.28 106.35 3k1q n THR 118 Ca 0.29 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 62.09 3k1q n THR 118 Cb 0.39 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.63 3k1q n THR 118 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3k1q s ILE 119 N 0.00 0.00 -0.51 2.28 -4.36 -0.71 -1.24 121.20 116.66 3k1q s ILE 119 Ca 0.00 -0.18 0.03 0.00 -0.26 0.00 0.00 60.65 60.25 3k1q s ILE 119 Cb 0.00 -2.75 0.15 0.00 1.25 0.00 0.00 42.46 41.10 3k1q s ILE 119 CO 0.00 0.00 0.31 0.00 0.24 0.00 0.00 174.94 175.49 3k1q s ALA 120 N -2.09 2.63 0.24 2.27 0.00 -1.21 -0.92 121.76 122.68 3k1q s ALA 120 Ca 0.26 -2.97 -0.06 0.00 0.00 0.00 0.00 51.96 49.19 3k1q s ALA 120 Cb 0.01 -1.96 0.23 0.00 0.00 0.00 0.00 23.12 21.39 3k1q s ALA 120 CO -0.01 -2.05 1.87 -1.00 0.00 0.00 0.00 175.76 174.56 3k1q h PRO 121 N 6.28 1.27 -6.62 0.00 0.13 -1.88 -3.46 132.00 127.71 3k1q h PRO 121 Ca 0.04 -0.14 -0.57 0.00 -0.87 0.00 0.00 66.00 64.47 3k1q h PRO 121 Cb 0.88 -0.25 0.08 0.00 0.13 0.00 0.00 31.00 31.83 3k1q h PRO 121 CO 0.56 0.91 0.74 0.45 -0.23 0.00 0.00 178.00 180.43 3k1q n SER 122 N -4.34 3.15 -0.06 1.44 2.88 -1.12 -4.93 113.62 110.64 3k1q n SER 122 Ca 0.10 1.13 -0.07 0.00 -1.33 0.00 0.00 58.87 58.69 3k1q n SER 122 Cb 0.08 -1.47 -0.08 0.00 -0.75 0.00 0.00 64.21 61.99 3k1q n SER 122 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3k1q n LYS 123 N 2.48 1.43 0.00 -1.46 3.00 -1.26 -5.00 118.16 117.34 3k1q n LYS 123 Ca 0.12 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 3k1q n LYS 123 Cb 0.32 -1.28 0.00 0.00 0.00 0.00 0.00 35.03 34.07 3k1q n LYS 123 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3k1q n ASP 124 N -2.62 0.00 0.00 3.14 8.00 -1.26 -4.87 116.55 118.94 3k1q n ASP 124 Ca -0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.29 3k1q n ASP 124 Cb 0.82 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 3k1q n ASP 124 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3k1q n ILE 125 N 0.00 0.00 -0.55 0.53 -5.35 -1.26 -3.99 119.36 108.73 3k1q n ILE 125 Ca 0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.18 3k1q n ILE 125 Cb 0.00 0.00 0.22 0.00 -1.74 0.00 0.00 39.64 38.12 3k1q n ILE 125 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 3k1q n VAL 126 N 0.00 0.00 -2.73 7.28 0.31 -1.21 -1.51 118.33 120.47 3k1q n VAL 126 Ca 0.00 -0.38 -0.14 0.00 -0.01 0.00 0.00 64.34 63.81 3k1q n VAL 126 Cb 0.00 -0.86 0.02 0.00 -0.91 0.00 0.00 33.84 32.10 3k1q n VAL 126 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3k1q n GLU 127 N -3.91 -3.05 -0.35 5.55 1.02 -1.22 -3.90 120.64 114.77 3k1q n GLU 127 Ca 0.03 0.56 0.11 0.00 -0.02 0.00 0.00 57.16 57.84 3k1q n GLU 127 Cb 0.57 -4.71 0.29 0.00 -0.02 0.00 0.00 31.44 27.57 3k1q n GLU 127 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3k1q h LEU 128 N -0.87 0.82 -8.16 -4.62 5.85 -1.56 -2.38 115.31 104.39 3k1q h LEU 128 Ca -0.33 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 3k1q h LEU 128 Cb 1.23 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 3k1q h LEU 128 CO 0.35 0.34 0.20 -2.16 -0.34 0.00 0.00 178.44 176.83 3k1q s PRO 129 N -5.89 1.52 -0.98 5.25 0.04 -1.26 -4.36 135.00 129.32 3k1q s PRO 129 Ca -0.11 -0.24 -0.09 0.00 0.04 0.00 0.00 61.00 60.60 3k1q s PRO 129 Cb 0.24 -4.96 0.08 0.00 0.04 0.00 0.00 34.50 29.90 3k1q s PRO 129 CO 0.80 -4.92 0.31 1.19 0.04 0.00 0.00 177.00 174.42 3k1q n PHE 130 N 18.51 -1.68 -4.34 0.56 3.72 -1.24 -4.95 117.46 128.05 3k1q n PHE 130 Ca 0.43 0.32 -0.17 0.00 -0.05 0.00 0.00 57.45 57.98 3k1q n PHE 130 Cb 0.46 -2.05 -0.10 0.00 -0.94 0.00 0.00 39.48 36.84 3k1q n PHE 130 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3k1q s ARG 131 N -5.86 1.39 -0.17 -1.08 1.81 -0.90 -5.05 118.95 109.09 3k1q s ARG 131 Ca 0.33 -1.73 -0.29 0.00 -1.72 0.00 0.00 55.73 52.32 3k1q s ARG 131 Cb -0.18 -0.51 -0.01 0.00 -0.45 0.00 0.00 34.95 33.80 3k1q s ARG 131 CO 0.40 -0.18 1.23 0.95 -0.68 0.00 0.00 175.30 177.03 3k1q s THR 132 N -3.53 4.34 0.17 0.02 -4.23 -1.24 -4.39 115.64 106.78 3k1q s THR 132 Ca 0.32 1.62 -0.15 0.00 -1.18 0.00 0.00 61.69 62.30 3k1q s THR 132 Cb 0.07 -4.04 0.16 0.00 1.34 0.00 0.00 72.50 70.03 3k1q s THR 132 CO 0.11 -0.14 1.21 0.00 -0.54 0.00 0.00 174.62 175.26 3k1q s ASP 134 N -5.29 6.35 1.67 0.00 1.01 -1.26 -4.01 116.67 115.14 3k1q s ASP 134 Ca -0.11 -2.18 0.00 0.00 0.71 0.00 0.00 52.55 50.97 3k1q s ASP 134 Cb 0.15 -2.19 0.00 0.00 1.01 0.00 0.00 42.92 41.90 3k1q s ASP 134 CO 0.55 -0.72 0.00 0.18 0.21 0.00 0.00 175.17 175.39 3k1q n LEU 135 N 4.68 0.00 -1.53 1.23 4.77 -1.16 -0.24 117.00 124.75 3k1q n LEU 135 Ca -0.02 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.84 3k1q n LEU 135 Cb 0.43 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.69 3k1q n LEU 135 CO 0.45 0.00 0.84 -0.67 -1.33 0.00 0.00 177.39 176.68 3k1q n ASP 136 N 7.54 3.20 -0.04 -1.43 2.03 -1.26 -3.72 116.55 122.87 3k1q n ASP 136 Ca 0.00 -3.76 -0.03 0.00 0.52 0.00 0.00 54.79 51.52 3k1q n ASP 136 Cb 0.00 -0.69 -0.07 0.00 -0.72 0.00 0.00 41.12 39.64 3k1q n ASP 136 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3k1q n ASP 137 N -1.10 2.83 -0.10 1.67 5.75 0.67 -4.49 116.55 121.78 3k1q n ASP 137 Ca 0.42 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 55.23 3k1q n ASP 137 Cb 1.15 0.83 0.06 0.00 -1.03 0.00 0.00 41.12 42.14 3k1q n ASP 137 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3k1q n SER 138 N -2.25 -0.06 0.19 -1.12 7.64 -1.06 -1.29 113.62 115.68 3k1q n SER 138 Ca -0.12 0.46 -0.16 0.00 1.01 0.00 0.00 58.87 60.06 3k1q n SER 138 Cb 0.70 -0.16 -0.08 0.00 -1.01 0.00 0.00 64.21 63.66 3k1q n SER 138 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3k1q h SER 139 N 0.00 -1.21 -0.18 6.43 4.64 -1.90 -0.03 113.55 121.30 3k1q h SER 139 Ca 0.15 0.12 -0.11 0.00 -0.47 0.00 0.00 61.79 61.48 3k1q h SER 139 Cb 0.29 0.43 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3k1q h SER 139 CO -0.26 -0.54 -0.31 0.00 -0.87 0.00 0.00 176.83 174.85 3k1q h ALA 140 N -0.38 0.27 -0.22 5.18 0.00 -1.73 -3.26 119.26 119.13 3k1q h ALA 140 Ca -0.01 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 3k1q h ALA 140 Cb 0.73 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3k1q h ALA 140 CO -0.15 0.30 -0.44 1.79 0.00 0.00 0.00 179.25 180.74 3k1q h THR 141 N 0.16 1.31 -0.14 0.00 1.35 -0.87 -2.15 112.91 112.58 3k1q h THR 141 Ca 0.01 -1.63 0.04 0.00 -0.55 0.00 0.00 66.41 64.29 3k1q h THR 141 Cb 0.89 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.93 3k1q h THR 141 CO 0.07 0.51 0.13 0.00 -0.25 0.00 0.00 175.52 175.97 3k1q h ALA 142 N 1.09 1.86 -0.47 6.62 0.00 -1.08 0.52 119.26 127.80 3k1q h ALA 142 Ca 0.03 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3k1q h ALA 142 Cb 0.94 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 3k1q h ALA 142 CO 0.08 -0.20 -0.46 0.00 0.00 0.00 0.00 179.25 178.68 3k1q h VAL 144 N -0.31 0.99 0.00 0.00 2.07 -1.40 -2.96 116.25 114.66 3k1q h VAL 144 Ca 0.14 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.61 3k1q h VAL 144 Cb 0.58 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3k1q h VAL 144 CO -0.62 0.01 0.00 0.54 0.02 0.00 0.00 177.57 177.52 3k1q n ARG 145 N -5.09 0.92 0.02 1.57 1.74 0.09 -0.33 116.66 115.56 3k1q n ARG 145 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3k1q n ARG 145 Cb 0.05 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 3k1q n ARG 145 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3k1q n ASN 146 N 0.15 0.00 -0.07 0.55 2.85 -0.68 -2.07 115.26 116.00 3k1q n ASN 146 Ca 0.00 0.07 -0.21 0.00 -0.11 0.00 0.00 54.58 54.33 3k1q n ASN 146 Cb 0.28 0.05 -0.12 0.00 1.24 0.00 0.00 39.78 41.22 3k1q n ASN 146 CO 0.00 0.00 0.00 -0.74 -2.11 0.00 0.00 177.26 174.41 3k1q h HIS 147 N 0.00 0.14 0.13 1.20 6.17 -1.39 -3.39 115.15 118.00 3k1q h HIS 147 Ca 0.00 -0.10 -0.01 0.00 0.71 0.00 0.00 60.37 60.97 3k1q h HIS 147 Cb 0.14 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.06 3k1q h HIS 147 CO 0.00 1.49 -0.06 0.00 0.71 0.00 0.00 177.93 180.07 3k1q n GLN 149 N -3.88 0.70 -1.54 0.00 7.27 0.55 -1.30 117.38 119.19 3k1q n GLN 149 Ca -0.02 -2.81 -0.24 0.00 0.07 0.00 0.00 57.00 53.99 3k1q n GLN 149 Cb 0.07 -1.30 -0.10 0.00 2.41 0.00 0.00 30.24 31.32 3k1q n GLN 149 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3k1q n ALA 150 N 1.55 0.60 -0.92 1.69 0.00 -1.24 -3.75 120.51 118.44 3k1q n ALA 150 Ca 0.18 -1.04 -0.16 0.00 0.00 0.00 0.00 53.44 52.42 3k1q n ALA 150 Cb 0.55 -2.99 0.02 0.00 0.00 0.00 0.00 19.45 17.04 3k1q n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k1q n GLY 151 N 6.32 3.99 1.03 0.00 0.00 -0.88 -4.11 105.19 111.54 3k1q n GLY 151 Ca 0.50 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3k1q n GLY 151 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3k1q n HIS 152 N 0.52 0.00 -0.66 1.61 8.25 -0.09 -2.78 115.22 122.06 3k1q n HIS 152 Ca 0.30 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.47 3k1q n HIS 152 Cb 0.57 0.19 0.15 0.00 1.12 0.00 0.00 29.99 32.02 3k1q n HIS 152 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3k1q n ASP 153 N -1.99 -2.66 0.00 0.41 5.68 -1.04 -0.45 116.55 116.49 3k1q n ASP 153 Ca 0.00 -0.21 0.00 0.00 -0.50 0.00 0.00 54.79 54.08 3k1q n ASP 153 Cb 0.00 -0.84 0.00 0.00 -1.14 0.00 0.00 41.12 39.14 3k1q n ASP 153 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k1q n GLY 154 N 2.33 -0.52 0.00 6.12 0.00 -1.25 -1.74 105.19 110.13 3k1q n GLY 154 Ca 0.02 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3k1q n GLY 154 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k1q n VAL 155 N 0.00 0.00 -1.89 1.61 0.31 -1.26 -2.64 118.33 114.46 3k1q n VAL 155 Ca 0.00 1.10 -0.38 0.00 -0.01 0.00 0.00 64.34 65.05 3k1q n VAL 155 Cb 0.00 -1.99 0.04 0.00 -0.91 0.00 0.00 33.84 30.98 3k1q n VAL 155 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3k1q n ILE 156 N -0.94 3.51 -3.96 2.52 -5.35 -1.26 -3.90 119.36 109.98 3k1q n ILE 156 Ca 0.00 -4.17 -0.20 0.00 -0.27 0.00 0.00 62.75 58.11 3k1q n ILE 156 Cb 0.00 -1.23 -0.17 0.00 -1.74 0.00 0.00 39.64 36.50 3k1q n ILE 156 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 3k1q s HIS 157 N -4.01 0.56 0.00 4.28 3.76 -1.08 -4.35 115.29 114.46 3k1q s HIS 157 Ca 0.53 -0.11 -0.00 0.00 -0.15 0.00 0.00 55.06 55.33 3k1q s HIS 157 Cb 0.45 -0.61 0.00 0.00 1.11 0.00 0.00 32.58 33.52 3k1q s HIS 157 CO -0.35 -0.21 0.01 -0.11 -0.85 0.00 0.00 174.74 173.23 3k1q n LEU 158 N 4.42 -3.25 -3.87 0.89 7.94 -1.26 -3.74 117.00 118.13 3k1q n LEU 158 Ca -0.20 1.86 -0.42 0.00 -1.11 0.00 0.00 56.01 56.14 3k1q n LEU 158 Cb 0.50 -2.33 0.01 0.00 0.53 0.00 0.00 43.42 42.13 3k1q n LEU 158 CO 0.19 -2.26 1.67 -0.81 -1.11 0.00 0.00 177.39 175.07 3k1q n PRO 159 N 1.95 4.10 0.00 1.96 -0.04 -1.26 -3.60 135.00 138.12 3k1q n PRO 159 Ca -0.01 -3.95 0.00 0.00 -0.04 0.00 0.00 63.50 59.50 3k1q n PRO 159 Cb 0.02 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 30.75 3k1q n PRO 159 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3k1q n ILE 160 N 2.31 0.00 0.98 0.52 -5.35 -0.46 -1.80 119.36 115.55 3k1q n ILE 160 Ca 0.37 0.29 0.04 0.00 -0.27 0.00 0.00 62.75 63.18 3k1q n ILE 160 Cb 0.34 -0.76 0.23 0.00 -1.74 0.00 0.00 39.64 37.72 3k1q n ILE 160 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3k1q n LEU 161 N -0.14 0.00 -3.78 7.28 4.77 0.24 -1.38 117.00 123.99 3k1q n LEU 161 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 3k1q n LEU 161 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 3k1q n LEU 161 CO 0.00 0.00 -0.19 -0.55 -1.33 0.00 0.00 177.39 175.32 3k1q s SER 162 N -1.76 3.86 0.00 -1.43 0.15 -0.45 -2.03 113.70 112.04 3k1q s SER 162 Ca 0.12 -3.00 0.00 0.00 0.70 0.00 0.00 55.95 53.77 3k1q s SER 162 Cb 0.05 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.11 3k1q s SER 162 CO 0.09 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.93 3k1q n GLY 163 N 3.07 2.11 2.70 9.45 0.00 -0.98 -4.71 105.19 116.83 3k1q n GLY 163 Ca 0.12 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 3k1q n GLY 163 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k1q n ASP 164 N 0.00 7.29 0.00 1.61 5.68 -0.52 -4.93 116.55 125.67 3k1q n ASP 164 Ca 0.00 -3.57 0.00 0.00 -0.50 0.00 0.00 54.79 50.72 3k1q n ASP 164 Cb 0.00 -1.17 0.00 0.00 -1.14 0.00 0.00 41.12 38.81 3k1q n ASP 164 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3k1q n PHE 165 N 0.18 0.00 -3.92 2.11 3.01 -0.48 -3.88 117.46 114.49 3k1q n PHE 165 Ca 0.52 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.68 3k1q n PHE 165 Cb 0.32 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.63 3k1q n PHE 165 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3k1q s LYS 166 N -1.57 1.53 0.00 -1.08 -0.14 -1.26 -4.29 119.74 112.92 3k1q s LYS 166 Ca 0.00 -0.93 0.25 0.00 -1.36 0.00 0.00 55.97 53.94 3k1q s LYS 166 Cb 0.00 -2.53 1.29 0.00 -1.68 0.00 0.00 37.83 34.91 3k1q s LYS 166 CO 0.00 -0.60 1.85 1.28 -0.76 0.00 0.00 175.35 177.12 3k1q n LEU 167 N 4.71 0.00 0.00 3.17 4.32 -1.25 -0.75 117.00 127.20 3k1q n LEU 167 Ca -0.12 0.26 0.23 0.00 -0.02 0.00 0.00 56.01 56.36 3k1q n LEU 167 Cb 0.44 -0.26 0.73 0.00 -1.62 0.00 0.00 43.42 42.71 3k1q n LEU 167 CO 0.17 -0.05 1.20 -0.65 -1.22 0.00 0.00 177.39 176.85 3k1q h PRO 168 N 0.00 0.00 0.00 3.23 0.11 -1.88 -3.16 132.00 130.30 3k1q h PRO 168 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 3k1q h PRO 168 Cb 0.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 3k1q h PRO 168 CO 0.00 0.00 -1.22 0.09 -0.21 0.00 0.00 178.00 176.66 3k1q n ASN 169 N -3.95 4.14 -4.70 -2.05 4.13 -0.16 -1.99 115.26 110.67 3k1q n ASN 169 Ca 0.11 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 56.02 3k1q n ASN 169 Cb 0.73 0.73 -0.09 0.00 -1.54 0.00 0.00 39.78 39.61 3k1q n ASN 169 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3k1q s GLU 170 N -2.13 4.06 0.21 3.52 2.02 0.07 -4.84 118.70 121.61 3k1q s GLU 170 Ca -0.02 -0.26 -0.08 0.00 0.02 0.00 0.00 54.97 54.63 3k1q s GLU 170 Cb 0.01 -3.33 0.31 0.00 0.10 0.00 0.00 34.13 31.23 3k1q s GLU 170 CO 0.15 0.32 1.19 1.58 0.02 0.00 0.00 175.26 178.52 3k1q n HIS 171 N 3.42 0.22 -0.09 1.61 -0.00 -1.26 -4.48 115.22 114.64 3k1q n HIS 171 Ca -0.16 0.93 0.00 0.00 0.46 0.00 0.00 57.72 58.95 3k1q n HIS 171 Cb 0.52 -0.91 0.00 0.00 -0.12 0.00 0.00 29.99 29.49 3k1q n HIS 171 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 3k1q n PRO 172 N -5.22 0.55 -4.35 1.57 -0.04 -1.26 -3.68 135.00 122.58 3k1q n PRO 172 Ca 0.11 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.30 3k1q n PRO 172 Cb 0.36 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.72 3k1q n PRO 172 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3k1q s THR 173 N -0.21 2.84 -0.30 0.52 -4.23 -1.26 -2.23 115.64 110.77 3k1q s THR 173 Ca 0.00 -1.81 -0.05 0.00 -1.18 0.00 0.00 61.69 58.64 3k1q s THR 173 Cb 0.00 -2.39 0.03 0.00 1.34 0.00 0.00 72.50 71.48 3k1q s THR 173 CO 0.00 -0.11 0.06 -0.54 -0.54 0.00 0.00 174.62 173.49 3k1q s LYS 174 N -2.76 2.82 0.32 3.99 1.02 0.07 -4.90 119.74 120.30 3k1q s LYS 174 Ca 0.23 -1.03 -0.28 0.00 0.02 0.00 0.00 55.97 54.91 3k1q s LYS 174 Cb -0.08 -3.32 -0.09 0.00 -0.52 0.00 0.00 37.83 33.81 3k1q s LYS 174 CO 0.13 -0.53 1.11 -2.14 -0.92 0.00 0.00 175.35 172.99 3k1q s PRO 175 N 1.41 4.46 -0.52 -1.68 0.02 -1.26 -2.02 135.00 135.40 3k1q s PRO 175 Ca -0.00 1.76 -0.22 0.00 0.02 0.00 0.00 61.00 62.56 3k1q s PRO 175 Cb -0.18 -2.98 0.05 0.00 0.02 0.00 0.00 34.50 31.40 3k1q s PRO 175 CO 0.01 0.06 0.80 -1.17 -0.33 0.00 0.00 177.00 176.37 3k1q s LEU 176 N -1.84 4.44 -0.54 -5.54 2.96 -1.26 -2.50 118.68 114.40 3k1q s LEU 176 Ca 0.49 -0.54 -0.26 0.00 -0.22 0.00 0.00 54.13 53.60 3k1q s LEU 176 Cb -0.30 -2.69 -0.08 0.00 0.50 0.00 0.00 46.19 43.61 3k1q s LEU 176 CO 0.38 -1.07 2.42 -0.67 -1.32 0.00 0.00 176.35 176.10 3k1q n ASP 177 N 6.89 2.23 -3.73 3.68 2.03 0.40 -4.37 116.55 123.68 3k1q n ASP 177 Ca -0.01 -0.69 -0.15 0.00 0.52 0.00 0.00 54.79 54.46 3k1q n ASP 177 Cb 0.47 -1.60 -0.15 0.00 -0.72 0.00 0.00 41.12 39.11 3k1q n ASP 177 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 3k1q s ASP 178 N 12.05 0.21 0.16 1.67 -4.77 -1.26 -3.28 116.67 121.45 3k1q s ASP 178 Ca 0.97 0.23 -0.18 0.00 -3.30 0.00 0.00 52.55 50.27 3k1q s ASP 178 Cb -0.17 0.12 0.08 0.00 -1.09 0.00 0.00 42.92 41.87 3k1q s ASP 178 CO 0.23 -0.17 1.66 0.71 0.70 0.00 0.00 175.17 178.30 3k1q h THR 179 N 6.21 0.57 -2.00 2.11 1.35 -1.53 -3.41 112.91 116.22 3k1q h THR 179 Ca -0.35 0.00 -0.63 0.00 -0.55 0.00 0.00 66.41 64.88 3k1q h THR 179 Cb 1.13 0.57 0.06 0.00 -1.73 0.00 0.00 68.15 68.18 3k1q h THR 179 CO 0.35 0.00 0.62 1.57 -0.25 0.00 0.00 175.52 177.81 3k1q n HIS 180 N -5.31 1.89 -1.48 4.73 -0.00 -0.63 -4.73 115.22 109.70 3k1q n HIS 180 Ca 0.02 0.45 -0.45 0.00 -0.00 0.00 0.00 57.72 57.74 3k1q n HIS 180 Cb 0.23 -2.44 -0.08 0.00 -0.00 0.00 0.00 29.99 27.70 3k1q n HIS 180 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3k1q n PRO 181 N 2.92 0.75 -2.56 1.57 -0.04 -1.26 -2.93 135.00 133.44 3k1q n PRO 181 Ca 0.17 0.13 -0.11 0.00 -0.04 0.00 0.00 63.50 63.65 3k1q n PRO 181 Cb 0.24 -2.43 -0.00 0.00 -0.04 0.00 0.00 33.50 31.26 3k1q n PRO 181 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3k1q n HIS 182 N 11.51 -1.56 0.38 0.54 8.25 -1.24 -4.62 115.22 128.48 3k1q n HIS 182 Ca 0.47 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.98 3k1q n HIS 182 Cb 0.25 -2.46 0.00 0.00 1.12 0.00 0.00 29.99 28.90 3k1q n HIS 182 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3k1q n ASP 183 N -1.81 2.53 -4.56 0.41 5.68 -1.15 -4.57 116.55 113.08 3k1q n ASP 183 Ca -0.11 -1.54 -0.13 0.00 -0.50 0.00 0.00 54.79 52.51 3k1q n ASP 183 Cb 0.58 -0.47 -0.10 0.00 -1.14 0.00 0.00 41.12 39.99 3k1q n ASP 183 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3k1q n LYS 184 N 0.96 0.24 -3.06 0.11 4.01 -1.26 -4.82 118.16 114.34 3k1q n LYS 184 Ca 0.00 -1.38 -0.45 0.00 -0.51 0.00 0.00 58.31 55.97 3k1q n LYS 184 Cb 0.34 -3.78 -0.03 0.00 -0.51 0.00 0.00 35.03 31.05 3k1q n LYS 184 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 3k1q s VAL 185 N 16.14 4.98 -1.17 -0.18 -7.23 -1.26 -0.60 120.40 131.08 3k1q s VAL 185 Ca 0.84 -1.75 -0.21 0.00 -1.81 0.00 0.00 61.98 59.05 3k1q s VAL 185 Cb -0.08 -4.66 -0.02 0.00 0.56 0.00 0.00 36.38 32.17 3k1q s VAL 185 CO 0.15 -1.34 1.84 -0.76 -0.31 0.00 0.00 175.10 174.69 3k1q s LEU 186 N 2.00 3.34 -0.05 1.32 1.02 -0.49 -4.55 118.68 121.27 3k1q s LEU 186 Ca 0.26 -1.77 -0.36 0.00 0.02 0.00 0.00 54.13 52.28 3k1q s LEU 186 Cb -0.08 -2.58 -0.14 0.00 0.02 0.00 0.00 46.19 43.41 3k1q s LEU 186 CO -0.07 -2.33 1.69 0.41 0.02 0.00 0.00 176.35 176.07 3k1q n THR 187 N 7.31 0.29 -0.83 5.49 -1.04 -0.86 -2.33 114.28 122.31 3k1q n THR 187 Ca 0.45 -0.05 -0.31 0.00 -2.04 0.00 0.00 64.05 62.10 3k1q n THR 187 Cb 0.47 -1.47 0.16 0.00 -1.82 0.00 0.00 70.33 67.66 3k1q n THR 187 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3k1q s ARG 188 N 2.66 1.11 0.42 -2.82 0.52 -0.50 -0.75 118.95 119.59 3k1q s ARG 188 Ca 0.90 1.36 -0.26 0.00 -0.52 0.00 0.00 55.73 57.21 3k1q s ARG 188 Cb -0.82 -1.75 -0.09 0.00 0.52 0.00 0.00 34.95 32.81 3k1q s ARG 188 CO 0.51 -2.51 1.41 0.00 0.02 0.00 0.00 175.30 174.73 3k1q h PRO 190 N 2.62 0.46 0.00 0.00 0.11 -1.70 -1.59 132.00 131.90 3k1q h PRO 190 Ca -0.50 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 3k1q h PRO 190 Cb 1.25 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3k1q h PRO 190 CO 0.62 0.31 -0.18 0.87 -0.21 0.00 0.00 178.00 179.41 3k1q h LYS 191 N 0.48 0.00 0.00 1.05 1.79 -1.64 -1.94 116.57 116.31 3k1q h LYS 191 Ca 0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.98 3k1q h LYS 191 Cb 0.88 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 3k1q h LYS 191 CO -0.46 0.18 0.16 1.15 -1.08 0.00 0.00 179.45 179.40 3k1q h THR 192 N 0.00 0.00 0.00 -0.16 2.02 -1.58 -3.46 112.91 109.73 3k1q h THR 192 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3k1q h THR 192 Cb 0.36 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3k1q h THR 192 CO 0.02 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.52 3k1q n GLY 193 N -1.26 0.95 3.27 2.16 0.00 -0.73 -4.77 105.19 104.81 3k1q n GLY 193 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 3k1q n GLY 193 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k1q s LEU 194 N 0.00 4.59 -0.70 0.99 2.96 -1.26 -4.90 118.68 120.36 3k1q s LEU 194 Ca 0.00 -1.28 -0.17 0.00 -0.22 0.00 0.00 54.13 52.46 3k1q s LEU 194 Cb 0.00 -1.90 0.14 0.00 0.50 0.00 0.00 46.19 44.94 3k1q s LEU 194 CO 0.00 -0.39 0.75 -0.76 -1.32 0.00 0.00 176.35 174.63 3k1q s LEU 195 N 1.40 5.86 0.42 -0.68 1.02 -1.26 -4.91 118.68 120.52 3k1q s LEU 195 Ca 0.00 -1.94 0.03 0.00 0.02 0.00 0.00 54.13 52.24 3k1q s LEU 195 Cb -0.21 -2.28 0.00 0.00 0.02 0.00 0.00 46.19 43.73 3k1q s LEU 195 CO 0.02 -0.91 0.60 -0.76 0.02 0.00 0.00 176.35 175.32 3k1q s LEU 196 N 1.79 3.73 -0.10 1.79 1.43 -1.26 0.17 118.68 126.23 3k1q s LEU 196 Ca 0.15 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 3k1q s LEU 196 Cb -0.18 -2.93 -0.01 0.00 0.03 0.00 0.00 46.19 43.10 3k1q s LEU 196 CO -0.01 -0.66 -0.20 0.54 0.23 0.00 0.00 176.35 176.25 3k1q s VAL 197 N -2.42 2.42 -0.40 -1.59 0.11 -1.26 -1.41 120.40 115.85 3k1q s VAL 197 Ca 0.49 -0.90 0.04 0.00 -2.93 0.00 0.00 61.98 58.67 3k1q s VAL 197 Cb -0.10 -1.95 0.11 0.00 -1.53 0.00 0.00 36.38 32.91 3k1q s VAL 197 CO 0.35 0.55 0.12 -1.38 -3.33 0.00 0.00 175.10 171.41 3k1q s HIS 198 N 0.24 3.39 -0.33 1.54 -3.43 -0.99 -4.66 115.29 111.05 3k1q s HIS 198 Ca -0.13 -2.96 -0.28 0.00 -0.80 0.00 0.00 55.06 50.89 3k1q s HIS 198 Cb -0.17 -2.78 -0.03 0.00 -1.43 0.00 0.00 32.58 28.17 3k1q s HIS 198 CO 0.07 -0.88 2.02 0.34 -2.00 0.00 0.00 174.74 174.29 3k1q s ASP 199 N 0.56 5.52 -1.19 7.38 -1.08 -1.24 -1.40 116.67 125.22 3k1q s ASP 199 Ca 0.13 1.40 -0.21 0.00 -0.52 0.00 0.00 52.55 53.34 3k1q s ASP 199 Cb -0.21 -2.52 -0.03 0.00 -1.46 0.00 0.00 42.92 38.70 3k1q s ASP 199 CO -0.06 -1.99 1.85 0.42 0.52 0.00 0.00 175.17 175.91 3k1q s THR 200 N 8.16 3.73 0.60 1.71 -4.23 0.23 -4.86 115.64 120.98 3k1q s THR 200 Ca 0.88 -1.17 0.28 0.00 -1.18 0.00 0.00 61.69 60.50 3k1q s THR 200 Cb -0.25 -4.74 0.40 0.00 1.34 0.00 0.00 72.50 69.26 3k1q s THR 200 CO 0.32 -1.35 1.47 0.45 -0.54 0.00 0.00 174.62 174.98 3k1q h HIS 201 N 9.22 0.00 -2.62 3.99 3.86 -1.85 -3.33 115.15 124.41 3k1q h HIS 201 Ca 0.28 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 59.20 3k1q h HIS 201 Cb 0.93 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 29.05 3k1q h HIS 201 CO 1.28 0.00 -0.60 0.00 0.86 0.00 0.00 177.93 179.47 3k1q s ALA 202 N -4.50 -0.36 -0.73 2.45 0.00 -1.24 -1.39 121.76 116.00 3k1q s ALA 202 Ca -0.03 0.46 -0.14 0.00 0.00 0.00 0.00 51.96 52.25 3k1q s ALA 202 Cb 0.15 -1.22 0.19 0.00 0.00 0.00 0.00 23.12 22.24 3k1q s ALA 202 CO 0.50 -1.03 0.67 -1.58 0.00 0.00 0.00 175.76 174.32 3k1q s HIS 203 N 2.35 3.60 0.10 0.00 2.46 0.05 -4.53 115.29 119.33 3k1q s HIS 203 Ca 0.06 -1.86 0.00 0.00 0.47 0.00 0.00 55.06 53.72 3k1q s HIS 203 Cb -0.15 -3.76 0.00 0.00 -0.13 0.00 0.00 32.58 28.54 3k1q s HIS 203 CO -0.11 -0.99 0.00 0.00 -2.47 0.00 0.00 174.74 171.17 3k1q n ALA 204 N 4.29 0.00 -1.47 1.58 0.00 -1.26 -1.36 120.51 122.28 3k1q n ALA 204 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3k1q n ALA 204 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3k1q n ALA 204 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3k1q n THR 205 N -2.52 0.00 0.46 0.00 -2.24 -1.26 -4.52 114.28 104.20 3k1q n THR 205 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 3k1q n THR 205 Cb 0.00 -1.66 0.41 0.00 -2.10 0.00 0.00 70.33 66.99 3k1q n THR 205 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q h ALA 206 N -1.46 1.00 0.00 6.98 0.00 -1.85 -3.47 119.26 120.46 3k1q h ALA 206 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k1q h ALA 206 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3k1q h ALA 206 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.58 3k1q n VAL 207 N -2.50 0.00 -0.01 0.00 0.24 -1.14 -3.73 118.33 111.19 3k1q n VAL 207 Ca 0.04 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.45 3k1q n VAL 207 Cb 0.39 0.00 0.53 0.00 -1.47 0.00 0.00 33.84 33.29 3k1q n VAL 207 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 3k1q h VAL 208 N 0.00 0.92 -0.75 3.34 3.04 -1.82 -3.21 116.25 117.77 3k1q h VAL 208 Ca 0.00 -0.11 0.15 0.00 -1.01 0.00 0.00 66.70 65.73 3k1q h VAL 208 Cb 0.00 0.57 -0.10 0.00 -2.01 0.00 0.00 31.29 29.75 3k1q h VAL 208 CO 0.00 0.06 0.25 0.00 -1.01 0.00 0.00 177.57 176.87 3k1q h ALA 209 N 1.75 1.04 0.18 3.17 0.00 -1.64 0.51 119.26 124.27 3k1q h ALA 209 Ca 0.21 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3k1q h ALA 209 Cb 0.43 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3k1q h ALA 209 CO -0.05 -0.28 -0.09 1.15 0.00 0.00 0.00 179.25 179.99 3k1q h THR 210 N 0.36 0.84 -0.84 0.00 2.02 -1.01 -2.86 112.91 111.43 3k1q h THR 210 Ca 0.42 -1.05 0.21 0.00 0.77 0.00 0.00 66.41 66.76 3k1q h THR 210 Cb 0.69 1.39 -0.14 0.00 -1.74 0.00 0.00 68.15 68.35 3k1q h THR 210 CO -0.46 0.21 0.13 0.00 0.37 0.00 0.00 175.52 175.77 3k1q h ALA 211 N -0.26 1.07 0.46 6.16 0.00 -1.55 0.43 119.26 125.57 3k1q h ALA 211 Ca -0.02 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3k1q h ALA 211 Cb 0.52 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3k1q h ALA 211 CO 0.04 -0.45 -0.22 0.00 0.00 0.00 0.00 179.25 178.62 3k1q h ALA 212 N 1.76 -0.62 -0.77 0.00 0.00 -0.07 -3.21 119.26 116.37 3k1q h ALA 212 Ca 0.50 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.41 3k1q h ALA 212 Cb 0.96 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 3k1q h ALA 212 CO -0.67 -0.61 0.52 1.79 0.00 0.00 0.00 179.25 180.28 3k1q h THR 213 N -1.09 0.72 -1.01 0.00 1.35 -1.18 -1.44 112.91 110.26 3k1q h THR 213 Ca -0.06 -0.10 0.27 0.00 -0.55 0.00 0.00 66.41 65.97 3k1q h THR 213 Cb 0.54 0.42 -0.07 0.00 -1.73 0.00 0.00 68.15 67.31 3k1q h THR 213 CO 0.10 0.05 0.68 -0.09 -0.25 0.00 0.00 175.52 176.02 3k1q h ARG 214 N 0.28 0.24 0.00 4.72 2.43 -0.93 -2.28 114.38 118.84 3k1q h ARG 214 Ca 0.38 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 3k1q h ARG 214 Cb 1.07 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3k1q h ARG 214 CO -0.10 0.16 0.00 0.00 -1.51 0.00 0.00 179.97 178.52 3k1q h ALA 215 N 1.56 1.00 0.00 2.80 0.00 -1.31 0.23 119.26 123.54 3k1q h ALA 215 Ca 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 3k1q h ALA 215 Cb 1.62 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 3k1q h ALA 215 CO -0.16 0.00 -0.12 -0.84 0.00 0.00 0.00 179.25 178.13 3k1q h ILE 216 N 0.00 0.49 0.04 0.00 -0.00 -1.56 -1.89 117.51 114.60 3k1q h ILE 216 Ca 0.00 -0.58 0.02 0.00 -0.00 0.00 0.00 64.86 64.31 3k1q h ILE 216 Cb 0.23 1.39 -0.04 0.00 -0.00 0.00 0.00 36.82 38.41 3k1q h ILE 216 CO 0.00 0.11 -0.21 0.25 -0.00 0.00 0.00 178.15 178.30 3k1q h LEU 217 N 0.00 -0.62 -0.48 0.16 6.46 -0.70 -0.94 115.31 119.20 3k1q h LEU 217 Ca -0.00 0.08 0.09 0.00 -0.12 0.00 0.00 57.88 57.93 3k1q h LEU 217 Cb 0.38 0.25 -0.08 0.00 -0.73 0.00 0.00 40.66 40.48 3k1q h LEU 217 CO 0.02 -0.29 0.01 0.24 -0.62 0.00 0.00 178.44 177.80 3k1q h MET 218 N -0.37 0.12 0.00 1.25 2.86 -1.52 -1.47 114.93 115.80 3k1q h MET 218 Ca 0.05 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3k1q h MET 218 Cb 0.42 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3k1q h MET 218 CO -0.17 0.08 0.00 0.72 1.06 0.00 0.00 176.91 178.60 3k1q n HIS 219 N -5.21 0.00 -0.39 -0.22 8.25 -0.91 -2.83 115.22 113.90 3k1q n HIS 219 Ca 0.05 0.00 0.36 0.00 -0.26 0.00 0.00 57.72 57.87 3k1q n HIS 219 Cb 0.25 -0.32 0.71 0.00 1.12 0.00 0.00 29.99 31.76 3k1q n HIS 219 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3k1q h ASP 220 N 0.00 0.11 0.14 0.41 3.32 -0.61 -1.13 116.42 118.65 3k1q h ASP 220 Ca 0.00 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3k1q h ASP 220 Cb 0.00 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3k1q h ASP 220 CO 0.00 -0.01 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.38 3k1q h LEU 221 N 0.08 -0.16 0.00 1.55 3.38 -1.13 -1.94 115.31 117.10 3k1q h LEU 221 Ca 0.65 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3k1q h LEU 221 Cb 2.39 0.04 0.00 0.00 0.09 0.00 0.00 40.66 43.18 3k1q h LEU 221 CO -0.10 0.42 -0.34 0.18 0.09 0.00 0.00 178.44 178.68 3k1q n LEU 222 N -4.90 0.39 -0.04 1.67 4.77 -0.93 -1.11 117.00 116.86 3k1q n LEU 222 Ca -0.08 0.21 -0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3k1q n LEU 222 Cb 0.27 -0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3k1q n LEU 222 CO 0.26 0.05 0.01 0.74 -1.33 0.00 0.00 177.39 177.11 3k1q h THR 223 N 0.00 0.00 -1.65 -5.08 2.02 -1.38 -3.44 112.91 103.39 3k1q h THR 223 Ca 0.00 -0.82 -0.66 0.00 0.77 0.00 0.00 66.41 65.70 3k1q h THR 223 Cb 0.55 0.00 -0.36 0.00 -1.74 0.00 0.00 68.15 66.59 3k1q h THR 223 CO 0.00 0.00 -0.03 -0.24 0.37 0.00 0.00 175.52 175.62 3k1q n SER 224 N -4.32 5.84 0.00 4.18 2.88 -0.73 -4.97 113.62 116.51 3k1q n SER 224 Ca -0.00 -3.77 0.00 0.00 -1.33 0.00 0.00 58.87 53.77 3k1q n SER 224 Cb 0.01 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 3k1q n SER 224 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3k1q n ALA 225 N -0.53 0.00 -3.26 -1.46 0.00 -0.26 -4.67 120.51 110.32 3k1q n ALA 225 Ca 0.45 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.76 3k1q n ALA 225 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 3k1q n ALA 225 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3k1q s ASN 226 N 0.00 -0.34 -0.69 0.00 0.01 -1.18 -4.70 114.94 108.04 3k1q s ASN 226 Ca 0.00 0.56 -0.26 0.00 -0.71 0.00 0.00 52.86 52.46 3k1q s ASN 226 Cb 0.00 0.63 -0.05 0.00 0.41 0.00 0.00 41.25 42.24 3k1q s ASN 226 CO 0.00 -0.23 2.02 0.00 -1.51 0.00 0.00 177.10 177.38 3k1q s ALA 227 N -0.26 1.82 -0.46 0.60 0.00 -1.25 -4.62 121.76 117.59 3k1q s ALA 227 Ca -0.04 -0.80 -0.28 0.00 0.00 0.00 0.00 51.96 50.84 3k1q s ALA 227 Cb -0.03 -4.40 -0.01 0.00 0.00 0.00 0.00 23.12 18.68 3k1q s ALA 227 CO 0.02 -4.42 1.66 0.34 0.00 0.00 0.00 175.76 173.36 3k1q s ASP 228 N 8.96 5.88 0.00 0.00 2.15 -1.26 -4.49 116.67 127.91 3k1q s ASP 228 Ca 0.75 0.78 0.00 0.00 0.43 0.00 0.00 52.55 54.50 3k1q s ASP 228 Cb -0.12 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 3k1q s ASP 228 CO 0.14 -1.81 0.00 0.47 -0.17 0.00 0.00 175.17 173.80 3k1q n ASP 229 N 10.43 0.00 0.00 -0.34 9.92 -1.26 -4.90 116.55 130.40 3k1q n ASP 229 Ca 0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 3k1q n ASP 229 Cb 0.49 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 3k1q n ASP 229 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3k1q n GLY 230 N 0.00 0.46 0.43 0.44 0.00 -1.26 -0.97 105.19 104.29 3k1q n GLY 230 Ca 0.00 0.73 0.23 0.00 0.00 0.00 0.00 46.02 46.99 3k1q n GLY 230 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3k1q h HIS 231 N 0.00 0.26 -0.99 1.61 -0.00 -1.93 0.42 115.15 114.53 3k1q h HIS 231 Ca 0.00 0.01 0.23 0.00 -0.00 0.00 0.00 60.37 60.60 3k1q h HIS 231 Cb 0.00 -0.08 -0.09 0.00 -0.00 0.00 0.00 27.41 27.24 3k1q h HIS 231 CO 0.00 0.07 0.63 0.37 -0.00 0.00 0.00 177.93 179.00 3k1q h GLN 232 N 0.19 0.49 0.08 5.26 -0.00 -1.46 0.33 115.11 119.99 3k1q h GLN 232 Ca 0.44 -0.03 -0.29 0.00 -0.00 0.00 0.00 58.65 58.77 3k1q h GLN 232 Cb 1.40 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 28.76 3k1q h GLN 232 CO -0.09 0.32 -1.52 0.00 0.00 0.00 0.00 178.83 177.54 3k1q h ALA 233 N 1.63 0.28 -0.41 3.38 0.00 -1.64 -3.41 119.26 119.09 3k1q h ALA 233 Ca 0.55 -1.21 0.12 0.00 0.00 0.00 0.00 54.91 54.37 3k1q h ALA 233 Cb 1.23 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 3k1q h ALA 233 CO -0.28 0.93 0.31 0.00 0.00 0.00 0.00 179.25 180.20 3k1q h ARG 234 N -0.42 0.00 0.86 0.00 3.08 0.39 -2.29 114.38 115.99 3k1q h ARG 234 Ca -0.35 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.66 3k1q h ARG 234 Cb 1.69 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.75 3k1q h ARG 234 CO -0.02 0.00 -0.41 0.66 -1.07 0.00 0.00 179.97 179.13 3k1q h SER 235 N 0.00 -0.98 0.41 7.04 4.64 -0.60 -1.63 113.55 122.44 3k1q h SER 235 Ca 0.19 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.52 3k1q h SER 235 Cb 0.81 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3k1q h SER 235 CO -0.00 -0.66 -0.20 0.00 -0.87 0.00 0.00 176.83 175.10 3k1q h ALA 236 N -1.15 -0.56 -0.92 5.18 0.00 -1.80 -3.38 119.26 116.64 3k1q h ALA 236 Ca -0.12 -0.14 0.33 0.00 0.00 0.00 0.00 54.91 54.98 3k1q h ALA 236 Cb 0.89 0.22 -0.17 0.00 0.00 0.00 0.00 17.79 18.73 3k1q h ALA 236 CO 0.19 -0.78 0.31 0.00 0.00 0.00 0.00 179.25 178.98 3k1q s TYR 238 N -5.59 2.90 -0.00 0.00 1.51 -0.62 -5.07 117.35 110.49 3k1q s TYR 238 Ca -0.10 -1.08 -0.00 0.00 -1.01 0.00 0.00 57.07 54.88 3k1q s TYR 238 Cb 0.30 -2.04 -0.00 0.00 -0.11 0.00 0.00 41.96 40.10 3k1q s TYR 238 CO 0.71 -0.58 0.01 0.41 -1.11 0.00 0.00 175.55 175.00 3k1q n GLY 239 N 4.65 -0.00 3.68 0.71 0.00 -1.26 -2.34 105.19 110.62 3k1q n GLY 239 Ca -0.19 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 3k1q n GLY 239 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k1q s PRO 240 N 0.00 4.23 -0.41 1.61 0.04 -1.26 -2.05 135.00 137.16 3k1q s PRO 240 Ca 0.01 2.15 -0.28 0.00 0.04 0.00 0.00 61.00 62.92 3k1q s PRO 240 Cb -0.02 -3.68 -0.00 0.00 0.04 0.00 0.00 34.50 30.84 3k1q s PRO 240 CO 0.01 -0.70 1.57 0.00 0.04 0.00 0.00 177.00 177.91 3k1q s ALA 241 N 2.90 2.92 -0.08 8.56 0.00 -1.21 -2.86 121.76 131.98 3k1q s ALA 241 Ca 0.70 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.60 3k1q s ALA 241 Cb -0.35 -4.00 0.01 0.00 0.00 0.00 0.00 23.12 18.78 3k1q s ALA 241 CO 0.29 -2.60 -0.16 0.12 0.00 0.00 0.00 175.76 173.41 3k1q s PHE 242 N 6.16 1.82 0.63 0.00 5.36 -1.26 -5.04 117.98 125.66 3k1q s PHE 242 Ca 0.67 -0.71 0.00 0.00 -0.96 0.00 0.00 56.93 55.93 3k1q s PHE 242 Cb -0.16 -1.28 0.00 0.00 -0.34 0.00 0.00 43.02 41.24 3k1q s PHE 242 CO 0.32 -0.32 0.00 0.27 -1.46 0.00 0.00 175.22 174.02 3k1q n ASN 243 N 3.72 -7.92 0.00 6.13 6.94 -1.26 -4.56 115.26 118.31 3k1q n ASN 243 Ca -0.22 1.47 0.00 0.00 -0.02 0.00 0.00 54.58 55.81 3k1q n ASN 243 Cb 0.52 -5.01 0.00 0.00 -2.36 0.00 0.00 39.78 32.93 3k1q n ASN 243 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 3k1q n ASN 244 N -4.36 0.00 -3.85 0.53 6.94 -1.26 -4.85 115.26 108.41 3k1q n ASN 244 Ca -0.10 0.00 -0.28 0.00 -0.02 0.00 0.00 54.58 54.18 3k1q n ASN 244 Cb 0.69 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 38.15 3k1q n ASN 244 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3k1q n LEU 245 N -2.11 -2.73 -3.76 -4.53 4.32 -1.26 -5.04 117.00 101.90 3k1q n LEU 245 Ca 0.00 -0.76 -0.27 0.00 -0.02 0.00 0.00 56.01 54.97 3k1q n LEU 245 Cb 0.00 -2.63 -0.17 0.00 -1.62 0.00 0.00 43.42 39.00 3k1q n LEU 245 CO 0.00 0.48 -0.38 -0.89 -1.22 0.00 0.00 177.39 175.39 3k1q s THR 246 N -3.35 0.55 0.00 -5.08 2.01 -1.23 -4.95 115.64 103.59 3k1q s THR 246 Ca 0.57 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 62.17 3k1q s THR 246 Cb -0.28 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.29 3k1q s THR 246 CO 0.82 -0.06 0.00 0.49 -0.69 0.00 0.00 174.62 175.17 3k1q n PHE 247 N 5.05 0.00 -3.94 4.92 3.01 -1.13 -4.89 117.46 120.48 3k1q n PHE 247 Ca -0.09 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.27 3k1q n PHE 247 Cb 0.48 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.83 3k1q n PHE 247 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3k1q s ALA 248 N 0.00 0.04 0.00 4.37 0.00 -0.49 -3.71 121.76 121.97 3k1q s ALA 248 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.57 3k1q s ALA 248 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.22 3k1q s ALA 248 CO 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 175.76 175.63 3k1q n HIS 250 N -0.16 0.00 0.00 0.00 -0.00 -1.26 -0.77 115.22 113.03 3k1q n HIS 250 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3k1q n HIS 250 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3k1q n HIS 250 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 3k1q n SER 251 N 0.00 0.00 0.00 0.26 7.64 -0.47 -4.75 113.62 116.30 3k1q n SER 251 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3k1q n SER 251 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3k1q n SER 251 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3k1q n THR 252 N 0.00 0.00 0.12 0.44 -2.24 -1.26 -2.16 114.28 109.18 3k1q n THR 252 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 3k1q n THR 252 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 3k1q n THR 252 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q h ALA 254 N 0.38 1.37 0.00 0.00 0.00 -1.67 -0.62 119.26 118.73 3k1q h ALA 254 Ca -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3k1q h ALA 254 Cb 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3k1q h ALA 254 CO 0.04 0.10 -0.11 0.77 0.00 0.00 0.00 179.25 180.06 3k1q h SER 255 N 0.00 0.00 0.00 0.00 0.02 -0.99 -2.55 113.55 110.02 3k1q h SER 255 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3k1q h SER 255 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3k1q h SER 255 CO 0.01 0.11 0.00 0.47 -1.14 0.00 0.00 176.83 176.28 3k1q n ASP 256 N -4.01 0.00 0.00 3.07 9.92 -0.74 -4.41 116.55 120.38 3k1q n ASP 256 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.24 3k1q n ASP 256 Cb 0.20 -0.29 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 3k1q n ASP 256 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 3k1q n MET 257 N -2.35 0.00 -0.06 -1.24 1.56 -0.32 -2.12 117.12 112.58 3k1q n MET 257 Ca 0.00 0.76 0.03 0.00 -0.27 0.00 0.00 57.70 58.23 3k1q n MET 257 Cb 0.00 -1.43 0.38 0.00 2.15 0.00 0.00 33.22 34.32 3k1q n MET 257 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3k1q h ALA 258 N -1.42 1.66 0.78 -5.12 0.00 -1.66 0.33 119.26 113.82 3k1q h ALA 258 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3k1q h ALA 258 Cb 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.60 3k1q h ALA 258 CO 0.00 0.31 -0.38 1.25 0.00 0.00 0.00 179.25 180.43 3k1q h HIS 259 N 0.67 -0.98 -0.08 0.00 6.17 -1.42 -2.66 115.15 116.87 3k1q h HIS 259 Ca 0.19 -0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.20 3k1q h HIS 259 Cb -0.05 0.32 0.00 0.00 2.52 0.00 0.00 27.41 30.21 3k1q h HIS 259 CO -0.00 -0.61 -0.16 0.74 0.71 0.00 0.00 177.93 178.61 3k1q h PHE 260 N -1.25 0.31 0.00 5.26 -1.00 -1.28 -3.33 116.94 115.65 3k1q h PHE 260 Ca -0.11 -0.11 0.00 0.00 2.81 0.00 0.00 57.97 60.56 3k1q h PHE 260 Cb 0.81 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.31 3k1q h PHE 260 CO 0.01 0.76 0.00 -0.25 -1.61 0.00 0.00 178.31 177.22 3k1q n ASP 261 N -4.59 0.00 -0.23 2.17 8.00 0.11 -1.10 116.55 120.91 3k1q n ASP 261 Ca -0.08 -0.91 -0.07 0.00 0.71 0.00 0.00 54.79 54.44 3k1q n ASP 261 Cb 0.39 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.52 3k1q n ASP 261 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k1q n GLY 263 N -0.78 0.03 4.03 0.00 0.00 -0.71 -0.59 105.19 107.18 3k1q n GLY 263 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3k1q n GLY 263 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3k1q n GLN 264 N -1.52 0.00 0.00 1.61 7.27 -0.26 -2.27 117.38 122.21 3k1q n GLN 264 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3k1q n GLN 264 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3k1q n GLN 264 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 3k1q n ILE 265 N 0.00 0.00 -0.11 1.69 5.41 -1.22 -4.70 119.36 120.43 3k1q n ILE 265 Ca 0.00 0.04 0.08 0.00 1.00 0.00 0.00 62.75 63.87 3k1q n ILE 265 Cb 0.00 -0.28 0.42 0.00 -0.71 0.00 0.00 39.64 39.07 3k1q n ILE 265 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3k1q h VAL 266 N 0.00 0.99 0.00 1.39 2.07 -1.45 -3.45 116.25 115.80 3k1q h VAL 266 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3k1q h VAL 266 Cb 0.00 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3k1q h VAL 266 CO 0.00 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.31 3k1q n GLY 267 N -1.48 1.21 3.53 2.17 0.00 -0.96 -4.85 105.19 104.81 3k1q n GLY 267 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 3k1q n GLY 267 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1q s LEU 268 N 0.00 2.93 -0.06 0.99 1.43 -1.26 -0.05 118.68 122.67 3k1q s LEU 268 Ca 0.00 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.91 3k1q s LEU 268 Cb 0.00 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.59 3k1q s LEU 268 CO 0.00 0.32 0.00 -0.62 0.23 0.00 0.00 176.35 176.28 3k1q s ASP 269 N -1.07 1.22 0.11 2.29 -1.08 0.25 -5.02 116.67 113.36 3k1q s ASP 269 Ca 0.14 -0.06 0.08 0.00 -0.52 0.00 0.00 52.55 52.20 3k1q s ASP 269 Cb -0.11 -0.36 -0.04 0.00 -1.46 0.00 0.00 42.92 40.96 3k1q s ASP 269 CO 0.04 -0.16 -0.21 -0.76 0.52 0.00 0.00 175.17 174.59 3k1q s LEU 270 N 1.67 2.30 -0.06 -1.34 1.02 -1.17 -0.70 118.68 120.40 3k1q s LEU 270 Ca -0.00 -0.69 0.02 0.00 0.02 0.00 0.00 54.13 53.48 3k1q s LEU 270 Cb -0.13 -0.91 0.01 0.00 0.02 0.00 0.00 46.19 45.18 3k1q s LEU 270 CO -0.04 0.07 -0.12 -2.28 0.02 0.00 0.00 176.35 174.00 3k1q s HIS 271 N -1.17 1.46 -0.63 0.29 2.46 -0.07 -4.81 115.29 112.82 3k1q s HIS 271 Ca 0.07 -0.53 0.07 0.00 0.47 0.00 0.00 55.06 55.15 3k1q s HIS 271 Cb -0.10 -1.07 -0.01 0.00 -0.13 0.00 0.00 32.58 31.27 3k1q s HIS 271 CO 0.04 -0.27 0.51 1.33 -2.47 0.00 0.00 174.74 173.88 3k1q n VAL 272 N 3.78 0.00 -3.22 0.89 0.24 -0.99 0.22 118.33 119.24 3k1q n VAL 272 Ca -0.23 -0.41 -0.39 0.00 -2.04 0.00 0.00 64.34 61.28 3k1q n VAL 272 Cb 0.52 1.08 -0.06 0.00 -1.47 0.00 0.00 33.84 33.91 3k1q n VAL 272 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3k1q s GLU 273 N -1.20 4.29 -0.62 7.34 8.01 -1.21 0.72 118.70 136.03 3k1q s GLU 273 Ca 0.06 0.72 -0.30 0.00 0.01 0.00 0.00 54.97 55.46 3k1q s GLU 273 Cb 0.06 -3.33 -0.13 0.00 -4.31 0.00 0.00 34.13 26.42 3k1q s GLU 273 CO 0.20 0.41 2.45 -0.35 0.01 0.00 0.00 175.26 177.99 3k1q n PRO 274 N 2.57 0.72 0.00 0.39 -0.04 -1.26 -3.85 135.00 133.53 3k1q n PRO 274 Ca -0.08 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3k1q n PRO 274 Cb 0.51 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 3k1q n PRO 274 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3k1q n SER 275 N 12.64 0.00 0.00 3.54 3.41 -1.26 -5.00 113.62 126.95 3k1q n SER 275 Ca 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 3k1q n SER 275 Cb 0.30 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3k1q n SER 275 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35