#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qk1 s ALA 2 N 0.00 3.68 -0.37 0.00 0.00 -1.26 -5.02 121.76 118.80 1qk1 s ALA 2 Ca 0.00 -2.95 -0.41 0.00 0.00 0.00 0.00 51.96 48.60 1qk1 s ALA 2 Cb 0.00 -3.77 -0.16 0.00 0.00 0.00 0.00 23.12 19.19 1qk1 s ALA 2 CO 0.00 -2.62 1.85 0.45 0.00 0.00 0.00 175.76 175.44 1qk1 n SER 3 N 5.43 1.89 -0.45 0.00 2.88 -1.26 -4.79 113.62 117.33 1qk1 n SER 3 Ca 0.16 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 1qk1 n SER 3 Cb 0.47 -1.08 0.01 0.00 -0.75 0.00 0.00 64.21 62.87 1qk1 n SER 3 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1qk1 n GLU 4 N 5.90 1.07 -0.04 -1.46 4.07 -1.26 -1.90 120.64 127.03 1qk1 n GLU 4 Ca 0.34 -0.06 0.03 0.00 -0.06 0.00 0.00 57.16 57.41 1qk1 n GLU 4 Cb 0.08 -1.43 -0.15 0.00 -0.06 0.00 0.00 31.44 29.88 1qk1 n GLU 4 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1qk1 n ARG 5 N -0.06 0.73 -2.72 5.31 5.12 -1.26 -4.97 116.66 118.80 1qk1 n ARG 5 Ca 0.01 -0.12 -0.32 0.00 -1.93 0.00 0.00 57.85 55.48 1qk1 n ARG 5 Cb 0.23 -1.47 -0.05 0.00 -1.16 0.00 0.00 32.46 30.00 1qk1 n ARG 5 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1qk1 s ARG 6 N -3.06 4.02 -0.05 5.56 0.52 -0.80 -5.07 118.95 120.07 1qk1 s ARG 6 Ca -0.08 0.88 -0.12 0.00 -0.52 0.00 0.00 55.73 55.90 1qk1 s ARG 6 Cb 0.10 -2.24 -0.05 0.00 0.52 0.00 0.00 34.95 33.28 1qk1 s ARG 6 CO 0.80 -0.09 0.30 1.03 0.02 0.00 0.00 175.30 177.36 1qk1 s ARG 7 N -3.58 3.72 0.34 3.54 1.81 -1.26 -5.01 118.95 118.51 1qk1 s ARG 7 Ca 0.58 0.18 -0.11 0.00 -1.72 0.00 0.00 55.73 54.66 1qk1 s ARG 7 Cb -0.10 -3.21 -0.07 0.00 -0.45 0.00 0.00 34.95 31.12 1qk1 s ARG 7 CO 0.23 0.72 0.70 -0.51 -0.68 0.00 0.00 175.30 175.76 1qk1 s LEU 8 N -1.04 3.98 0.22 2.53 1.43 -1.26 -5.01 118.68 119.53 1qk1 s LEU 8 Ca 0.20 1.09 -0.32 0.00 -1.03 0.00 0.00 54.13 54.07 1qk1 s LEU 8 Cb -0.15 -3.92 -0.12 0.00 0.03 0.00 0.00 46.19 42.03 1qk1 s LEU 8 CO 0.09 -0.26 1.67 -1.22 0.23 0.00 0.00 176.35 176.86 1qk1 n TYR 9 N -0.78 2.70 -1.15 0.29 4.01 -1.26 -4.93 117.16 116.04 1qk1 n TYR 9 Ca 0.02 0.13 -0.32 0.00 -0.16 0.00 0.00 57.90 57.57 1qk1 n TYR 9 Cb 0.53 -2.64 0.11 0.00 -0.31 0.00 0.00 39.34 37.04 1qk1 n TYR 9 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1qk1 s PRO 10 N 0.70 1.83 0.25 -0.72 0.04 -1.26 -4.87 135.00 130.96 1qk1 s PRO 10 Ca 0.73 1.49 -0.06 0.00 0.04 0.00 0.00 61.00 63.19 1qk1 s PRO 10 Cb -0.53 -1.82 0.46 0.00 0.04 0.00 0.00 34.50 32.65 1qk1 s PRO 10 CO 0.37 -2.02 1.64 -1.35 0.04 0.00 0.00 177.00 175.69 1qk1 h PRO 11 N -1.07 0.13 -0.02 0.56 0.11 -1.96 -0.32 132.00 129.43 1qk1 h PRO 11 Ca -0.45 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.66 1qk1 h PRO 11 Cb 1.26 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1qk1 h PRO 11 CO 0.48 0.08 0.03 0.77 -0.21 0.00 0.00 178.00 179.15 1qk1 h SER 12 N 0.13 0.00 1.00 -2.05 0.02 -1.94 -0.80 113.55 109.91 1qk1 h SER 12 Ca 0.42 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.36 1qk1 h SER 12 Cb 0.75 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.29 1qk1 h SER 12 CO -0.64 0.00 -0.05 0.00 -1.14 0.00 0.00 176.83 175.00 1qk1 h ALA 13 N 1.96 1.01 -0.01 3.77 0.00 -1.38 -2.86 119.26 121.75 1qk1 h ALA 13 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1qk1 h ALA 13 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1qk1 h ALA 13 CO -0.00 0.06 -0.53 0.39 0.00 0.00 0.00 179.25 179.17 1qk1 n GLU 14 N -3.17 1.26 -1.70 0.00 -0.58 -0.33 -5.00 120.64 111.12 1qk1 n GLU 14 Ca 0.00 -0.72 -0.44 0.00 -0.42 0.00 0.00 57.16 55.59 1qk1 n GLU 14 Cb 0.33 -1.40 -0.03 0.00 -0.57 0.00 0.00 31.44 29.78 1qk1 n GLU 14 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1qk1 n TYR 15 N -0.37 2.52 -2.20 -0.32 9.36 -1.06 -4.95 117.16 120.13 1qk1 n TYR 15 Ca 0.07 0.27 -0.33 0.00 3.32 0.00 0.00 57.90 61.23 1qk1 n TYR 15 Cb 0.39 -2.56 -0.00 0.00 -0.63 0.00 0.00 39.34 36.54 1qk1 n TYR 15 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1qk1 s PRO 16 N 0.12 3.44 -0.63 2.98 0.04 -1.26 -4.98 135.00 134.70 1qk1 s PRO 16 Ca 0.70 1.30 -0.22 0.00 0.04 0.00 0.00 61.00 62.83 1qk1 s PRO 16 Cb -0.58 -2.04 0.07 0.00 0.04 0.00 0.00 34.50 31.99 1qk1 s PRO 16 CO 0.44 -0.73 0.92 0.34 0.04 0.00 0.00 177.00 178.01 1qk1 s ASP 17 N -2.43 6.19 -0.23 6.66 -1.08 -1.26 -4.88 116.67 119.65 1qk1 s ASP 17 Ca 0.66 -0.97 0.14 0.00 -0.52 0.00 0.00 52.55 51.86 1qk1 s ASP 17 Cb -0.17 -2.40 0.58 0.00 -1.46 0.00 0.00 42.92 39.47 1qk1 s ASP 17 CO 0.31 -1.36 1.52 0.18 0.52 0.00 0.00 175.17 176.34 1qk1 n LEU 18 N 7.47 4.44 0.21 -1.34 4.77 -1.26 -4.73 117.00 126.56 1qk1 n LEU 18 Ca -0.04 -3.19 0.09 0.00 -0.03 0.00 0.00 56.01 52.84 1qk1 n LEU 18 Cb 0.45 -0.61 0.62 0.00 -2.33 0.00 0.00 43.42 41.56 1qk1 n LEU 18 CO 0.63 0.80 1.09 0.03 -1.33 0.00 0.00 177.39 178.61 1qk1 h ARG 19 N 1.94 0.06 -0.52 3.23 3.08 -2.00 -2.29 114.38 117.88 1qk1 h ARG 19 Ca 0.09 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1qk1 h ARG 19 Cb 1.68 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.72 1qk1 h ARG 19 CO 0.36 0.04 0.00 1.63 -1.07 0.00 0.00 179.97 180.94 1qk1 n LYS 20 N -4.52 3.18 -2.99 0.04 5.02 -1.26 -5.01 118.16 112.62 1qk1 n LYS 20 Ca -0.01 -2.59 -0.31 0.00 -2.02 0.00 0.00 58.31 53.38 1qk1 n LYS 20 Cb 0.13 -1.64 -0.04 0.00 -0.02 0.00 0.00 35.03 33.46 1qk1 n LYS 20 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1qk1 s HIS 21 N -1.58 3.43 -0.43 2.13 3.76 -0.87 -4.86 115.29 116.88 1qk1 s HIS 21 Ca 0.41 1.10 0.04 0.00 -0.15 0.00 0.00 55.06 56.47 1qk1 s HIS 21 Cb 0.25 -2.47 0.17 0.00 1.11 0.00 0.00 32.58 31.65 1qk1 s HIS 21 CO 0.21 -0.01 0.40 1.21 -0.85 0.00 0.00 174.74 175.71 1qk1 s ASN 22 N -2.78 0.94 0.13 1.40 2.47 0.68 -4.98 114.94 112.80 1qk1 s ASN 22 Ca 0.52 -2.82 -0.16 0.00 0.42 0.00 0.00 52.86 50.82 1qk1 s ASN 22 Cb -0.10 -0.03 0.04 0.00 -1.45 0.00 0.00 41.25 39.70 1qk1 s ASN 22 CO 0.25 -0.15 0.41 0.54 -3.72 0.00 0.00 177.10 174.43 1qk1 s ASN 23 N 0.22 -0.25 0.29 -4.21 2.20 -1.26 -3.89 114.94 108.04 1qk1 s ASN 23 Ca 0.32 -0.32 0.02 0.00 -0.94 0.00 0.00 52.86 51.94 1qk1 s ASN 23 Cb 0.03 0.48 0.57 0.00 -2.00 0.00 0.00 41.25 40.33 1qk1 s ASN 23 CO -0.17 -0.87 1.84 0.00 -2.94 0.00 0.00 177.10 174.96 1qk1 h MET 25 N 0.99 -0.08 -0.33 0.00 1.85 -1.48 -2.33 114.93 113.55 1qk1 h MET 25 Ca 0.50 0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.57 1qk1 h MET 25 Cb 0.50 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.53 1qk1 h MET 25 CO -0.26 -0.05 0.11 0.00 -0.40 0.00 0.00 176.91 176.31 1qk1 h ALA 26 N 0.95 1.59 0.00 0.39 0.00 -1.73 -1.47 119.26 118.98 1qk1 h ALA 26 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1qk1 h ALA 26 Cb 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1qk1 h ALA 26 CO -0.08 0.32 0.00 0.43 0.00 0.00 0.00 179.25 179.91 1qk1 n SER 27 N -4.39 0.62 0.00 0.00 7.64 -0.87 -3.67 113.62 112.95 1qk1 n SER 27 Ca 0.02 0.65 0.00 0.00 1.01 0.00 0.00 58.87 60.54 1qk1 n SER 27 Cb 0.15 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 1qk1 n SER 27 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1qk1 n HIS 28 N -2.18 0.00 -2.59 1.43 8.25 -0.83 -5.01 115.22 114.29 1qk1 n HIS 28 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 1qk1 n HIS 28 Cb 0.24 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.30 1qk1 n HIS 28 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1qk1 s LEU 29 N -1.95 4.51 0.13 2.41 2.96 -0.62 -4.98 118.68 121.14 1qk1 s LEU 29 Ca 0.00 2.01 0.01 0.00 -0.22 0.00 0.00 54.13 55.93 1qk1 s LEU 29 Cb 0.00 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 1qk1 s LEU 29 CO 0.00 -0.14 -0.02 0.42 -1.32 0.00 0.00 176.35 175.29 1qk1 s THR 30 N -0.30 0.57 0.31 3.68 -4.23 -1.26 -4.97 115.64 109.44 1qk1 s THR 30 Ca 0.48 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 1qk1 s THR 30 Cb -0.28 -1.92 0.28 0.00 1.34 0.00 0.00 72.50 71.93 1qk1 s THR 30 CO 0.34 -0.65 1.93 -0.65 -0.54 0.00 0.00 174.62 175.05 1qk1 h PRO 31 N 2.84 0.96 -0.41 3.99 0.11 -1.99 -0.92 132.00 136.59 1qk1 h PRO 31 Ca -0.36 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 1qk1 h PRO 31 Cb 1.19 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 1qk1 h PRO 31 CO 0.63 0.63 0.18 0.00 -0.21 0.00 0.00 178.00 179.23 1qk1 h ALA 32 N 1.53 0.53 -0.41 -0.75 0.00 -1.99 -0.80 119.26 117.36 1qk1 h ALA 32 Ca 0.35 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1qk1 h ALA 32 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1qk1 h ALA 32 CO -0.12 0.11 -0.11 0.28 0.00 0.00 0.00 179.25 179.41 1qk1 h VAL 33 N 0.51 1.28 -0.35 0.00 2.07 -1.85 -1.96 116.25 115.94 1qk1 h VAL 33 Ca 0.14 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1qk1 h VAL 33 Cb 0.15 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1qk1 h VAL 33 CO -0.01 0.41 0.21 0.22 0.02 0.00 0.00 177.57 178.41 1qk1 h TYR 34 N 0.62 0.46 -0.53 1.57 3.20 -1.03 -1.70 116.97 119.56 1qk1 h TYR 34 Ca 0.10 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 1qk1 h TYR 34 Cb 0.64 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1qk1 h TYR 34 CO 0.05 0.34 0.06 0.00 -1.64 0.00 0.00 178.16 176.97 1qk1 h ALA 35 N 1.08 1.10 -0.28 1.82 0.00 -1.09 0.25 119.26 122.15 1qk1 h ALA 35 Ca 0.12 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1qk1 h ALA 35 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1qk1 h ALA 35 CO -0.02 0.58 -0.25 -0.09 0.00 0.00 0.00 179.25 179.46 1qk1 h ARG 36 N 0.81 0.54 0.00 0.00 2.43 -1.04 -3.33 114.38 113.79 1qk1 h ARG 36 Ca 0.16 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1qk1 h ARG 36 Cb 0.40 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1qk1 h ARG 36 CO 0.01 0.75 -1.33 1.28 -1.51 0.00 0.00 179.97 179.17 1qk1 n LEU 37 N -4.11 0.50 0.17 3.80 4.77 -0.67 -4.53 117.00 116.93 1qk1 n LEU 37 Ca -0.00 -0.28 0.12 0.00 -0.03 0.00 0.00 56.01 55.81 1qk1 n LEU 37 Cb 0.42 0.00 0.61 0.00 -2.33 0.00 0.00 43.42 42.11 1qk1 n LEU 37 CO 0.43 0.13 0.85 0.00 -1.33 0.00 0.00 177.39 177.46 1qk1 n ASP 39 N -2.29 0.35 -4.81 0.00 8.00 -1.26 -4.84 116.55 111.71 1qk1 n ASP 39 Ca -0.01 -0.11 -0.32 0.00 0.71 0.00 0.00 54.79 55.06 1qk1 n ASP 39 Cb 0.05 1.44 0.03 0.00 -0.02 0.00 0.00 41.12 42.62 1qk1 n ASP 39 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1qk1 s LYS 40 N -3.38 3.12 0.03 -1.24 1.02 -0.61 -5.08 119.74 113.61 1qk1 s LYS 40 Ca -0.03 1.11 -0.11 0.00 0.02 0.00 0.00 55.97 56.96 1qk1 s LYS 40 Cb 0.14 -2.01 0.01 0.00 -0.52 0.00 0.00 37.83 35.45 1qk1 s LYS 40 CO 0.87 -0.96 0.23 -0.08 -0.92 0.00 0.00 175.35 174.49 1qk1 s THR 41 N -2.70 0.10 0.56 2.17 -1.32 -1.26 -4.53 115.64 108.66 1qk1 s THR 41 Ca 0.61 -0.78 -0.02 0.00 -1.21 0.00 0.00 61.69 60.29 1qk1 s THR 41 Cb -0.15 -0.87 0.03 0.00 -1.51 0.00 0.00 72.50 70.00 1qk1 s THR 41 CO 0.45 -0.43 0.82 0.42 -2.21 0.00 0.00 174.62 173.66 1qk1 s THR 42 N -2.39 3.05 0.55 5.08 -4.23 -0.78 -4.92 115.64 112.01 1qk1 s THR 42 Ca -0.06 -0.45 0.27 0.00 -1.18 0.00 0.00 61.69 60.27 1qk1 s THR 42 Cb -0.02 -3.18 0.40 0.00 1.34 0.00 0.00 72.50 71.04 1qk1 s THR 42 CO -0.03 -0.15 1.97 -0.65 -0.54 0.00 0.00 174.62 175.23 1qk1 h PRO 43 N -0.02 0.00 -0.65 3.99 0.11 -1.97 0.91 132.00 134.37 1qk1 h PRO 43 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1qk1 h PRO 43 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1qk1 h PRO 43 CO 0.56 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.60 1qk1 n THR 44 N -4.15 1.16 -0.57 -1.15 -2.24 -1.26 -4.96 114.28 101.12 1qk1 n THR 44 Ca 0.10 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 1qk1 n THR 44 Cb 0.63 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 1qk1 n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qk1 n GLY 45 N 1.34 0.72 3.75 3.38 0.00 0.31 -5.06 105.19 109.63 1qk1 n GLY 45 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1qk1 n GLY 45 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1qk1 s TRP 46 N -2.11 3.39 0.42 1.61 -0.11 -1.26 -4.70 118.94 116.19 1qk1 s TRP 46 Ca 0.00 1.50 0.07 0.00 1.22 0.00 0.00 56.10 58.89 1qk1 s TRP 46 Cb 0.00 -3.44 -0.06 0.00 -1.50 0.00 0.00 33.47 28.47 1qk1 s TRP 46 CO 0.00 -1.16 0.08 0.95 -4.62 0.00 0.00 176.95 172.21 1qk1 s THR 47 N -0.66 2.04 0.14 5.86 -4.23 -1.26 -1.86 115.64 115.67 1qk1 s THR 47 Ca 0.49 -1.87 -0.15 0.00 -1.18 0.00 0.00 61.69 58.98 1qk1 s THR 47 Cb -0.34 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.59 1qk1 s THR 47 CO 0.42 0.00 1.68 0.25 -0.54 0.00 0.00 174.62 176.43 1qk1 h LEU 48 N 1.58 0.58 -1.21 4.79 5.85 -1.82 -2.08 115.31 123.01 1qk1 h LEU 48 Ca -0.43 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.16 1qk1 h LEU 48 Cb 1.25 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 1qk1 h LEU 48 CO 0.76 0.59 0.55 0.44 -0.34 0.00 0.00 178.44 180.44 1qk1 h ASP 49 N 0.53 0.88 0.39 1.25 3.32 -1.94 -1.29 116.42 119.56 1qk1 h ASP 49 Ca 0.14 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 1qk1 h ASP 49 Cb 0.20 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1qk1 h ASP 49 CO -0.01 0.59 -0.47 1.56 -1.72 0.00 0.00 179.24 179.19 1qk1 h GLN 50 N 1.01 0.11 -0.07 3.56 4.20 -1.86 -1.47 115.11 120.59 1qk1 h GLN 50 Ca 0.34 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 1qk1 h GLN 50 Cb 0.09 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 1qk1 h GLN 50 CO -0.11 0.56 0.03 0.00 -0.67 0.00 0.00 178.83 178.63 1qk1 n ILE 52 N -4.95 0.00 -0.24 0.00 -5.35 -0.85 -1.73 119.36 106.24 1qk1 n ILE 52 Ca -0.06 -0.09 0.04 0.00 -0.27 0.00 0.00 62.75 62.37 1qk1 n ILE 52 Cb 0.11 0.18 0.16 0.00 -1.74 0.00 0.00 39.64 38.34 1qk1 n ILE 52 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 1qk1 h GLN 53 N 0.81 0.19 -0.45 6.28 5.75 -1.32 0.20 115.11 126.57 1qk1 h GLN 53 Ca 0.00 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1qk1 h GLN 53 Cb 0.45 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 1qk1 h GLN 53 CO 0.00 0.13 0.25 0.00 -2.65 0.00 0.00 178.83 176.55 1qk1 h THR 54 N 0.20 1.14 0.00 2.39 1.03 -1.78 -0.78 112.91 115.11 1qk1 h THR 54 Ca 0.39 -0.35 -0.09 0.00 -0.01 0.00 0.00 66.41 66.35 1qk1 h THR 54 Cb 0.66 0.53 -0.01 0.00 -1.07 0.00 0.00 68.15 68.26 1qk1 h THR 54 CO -0.54 0.15 -0.43 1.23 -0.01 0.00 0.00 175.52 175.92 1qk1 h GLY 55 N 0.69 0.00 1.15 2.99 0.00 0.13 -1.89 103.07 106.15 1qk1 h GLY 55 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.19 1qk1 h GLY 55 CO -0.03 0.00 -1.33 -2.08 0.00 0.00 0.00 176.54 173.10 1qk1 h VAL 56 N 0.00 1.32 0.00 4.60 2.07 -0.50 -3.32 116.25 120.42 1qk1 h VAL 56 Ca -0.00 -2.63 -0.07 0.00 0.82 0.00 0.00 66.70 64.82 1qk1 h VAL 56 Cb 0.88 3.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.66 1qk1 h VAL 56 CO 0.06 0.78 -0.33 0.44 0.02 0.00 0.00 177.57 178.54 1qk1 h ASP 57 N 0.08 0.00 -4.15 0.57 5.19 -1.09 -3.39 116.42 113.62 1qk1 h ASP 57 Ca -0.23 0.00 -0.64 0.00 -0.62 0.00 0.00 57.03 55.54 1qk1 h ASP 57 Cb 2.04 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 41.14 1qk1 h ASP 57 CO 0.25 0.33 -0.66 0.20 -3.12 0.00 0.00 179.24 176.24 1qk1 s ASN 58 N -6.50 4.39 0.33 6.45 0.01 -0.72 -4.97 114.94 113.94 1qk1 s ASN 58 Ca -0.01 -2.77 0.05 0.00 -0.71 0.00 0.00 52.86 49.42 1qk1 s ASN 58 Cb 0.12 -1.60 0.68 0.00 0.41 0.00 0.00 41.25 40.87 1qk1 s ASN 58 CO 0.68 -0.27 1.90 -0.65 -1.51 0.00 0.00 177.10 177.25 1qk1 h PRO 59 N 6.80 0.82 0.00 -0.60 0.11 -1.77 -3.45 132.00 133.91 1qk1 h PRO 59 Ca -0.07 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1qk1 h PRO 59 Cb 0.93 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1qk1 h PRO 59 CO 0.64 0.54 0.00 0.41 -0.21 0.00 0.00 178.00 179.38 1qk1 n GLY 60 N -1.42 -3.28 3.78 -0.55 0.00 -1.26 -0.23 105.19 102.23 1qk1 n GLY 60 Ca 0.15 -2.03 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 1qk1 n GLY 60 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qk1 s HIS 61 N -0.63 3.29 0.41 1.61 2.46 -1.23 -4.85 115.29 116.35 1qk1 s HIS 61 Ca 0.00 0.23 0.17 0.00 0.47 0.00 0.00 55.06 55.92 1qk1 s HIS 61 Cb 0.00 -1.76 0.99 0.00 -0.13 0.00 0.00 32.58 31.69 1qk1 s HIS 61 CO 0.00 0.55 1.95 -1.35 -2.47 0.00 0.00 174.74 173.42 1qk1 h PRO 62 N 4.26 0.00 0.16 2.88 0.11 -1.93 -3.26 132.00 134.23 1qk1 h PRO 62 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1qk1 h PRO 62 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1qk1 h PRO 62 CO 0.61 0.24 -0.08 0.74 -0.21 0.00 0.00 178.00 179.30 1qk1 h PHE 63 N 0.00 -0.20 -3.53 0.65 0.04 -1.98 -3.45 116.94 108.48 1qk1 h PHE 63 Ca -0.00 -0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.15 1qk1 h PHE 63 Cb 0.46 0.07 -0.13 0.00 2.20 0.00 0.00 35.95 38.55 1qk1 h PHE 63 CO 0.00 -0.02 -0.29 0.96 -0.60 0.00 0.00 178.31 178.36 1qk1 s ILE 64 N -2.44 5.24 -0.31 -0.55 -4.36 -1.23 -5.07 121.20 112.48 1qk1 s ILE 64 Ca -0.06 0.54 -0.12 0.00 -0.26 0.00 0.00 60.65 60.75 1qk1 s ILE 64 Cb 0.00 -3.66 -0.03 0.00 1.25 0.00 0.00 42.46 40.02 1qk1 s ILE 64 CO 0.19 0.27 0.24 -0.75 0.24 0.00 0.00 174.94 175.13 1qk1 s LYS 65 N 1.29 3.75 0.62 0.37 2.20 -1.26 -3.52 119.74 123.18 1qk1 s LYS 65 Ca 0.15 -0.43 -0.06 0.00 -0.36 0.00 0.00 55.97 55.28 1qk1 s LYS 65 Cb -0.14 -3.73 0.02 0.00 -1.51 0.00 0.00 37.83 32.47 1qk1 s LYS 65 CO 0.07 -0.32 0.93 0.95 -0.36 0.00 0.00 175.35 176.62 1qk1 s THR 66 N 1.79 3.38 -0.00 3.43 -4.23 -1.25 -4.86 115.64 113.89 1qk1 s THR 66 Ca 0.08 -0.04 -0.24 0.00 -1.18 0.00 0.00 61.69 60.30 1qk1 s THR 66 Cb -0.17 -3.36 -0.19 0.00 1.34 0.00 0.00 72.50 70.12 1qk1 s THR 66 CO 0.11 -0.38 1.29 0.58 -0.54 0.00 0.00 174.62 175.68 1qk1 h VAL 67 N -0.27 1.37 0.00 2.29 2.07 -1.94 -0.87 116.25 118.90 1qk1 h VAL 67 Ca -0.45 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 65.90 1qk1 h VAL 67 Cb 1.27 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1qk1 h VAL 67 CO 0.61 0.31 0.00 0.61 0.02 0.00 0.00 177.57 179.12 1qk1 n GLY 68 N 0.20 0.64 3.50 2.17 0.00 -1.26 -1.36 105.19 109.08 1qk1 n GLY 68 Ca -0.08 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 1qk1 n GLY 68 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1qk1 s MET 69 N -0.41 1.03 0.23 1.61 0.23 -1.26 -1.84 119.30 118.90 1qk1 s MET 69 Ca 0.00 0.06 0.05 0.00 -1.03 0.00 0.00 55.69 54.76 1qk1 s MET 69 Cb 0.00 0.48 -0.05 0.00 -1.53 0.00 0.00 34.83 33.73 1qk1 s MET 69 CO 0.00 -0.36 -0.04 0.14 -2.03 0.00 0.00 175.02 172.73 1qk1 s VAL 70 N -1.84 1.26 -0.05 5.16 -7.23 -0.70 -4.51 120.40 112.49 1qk1 s VAL 70 Ca -0.06 -2.07 -0.04 0.00 -1.81 0.00 0.00 61.98 58.00 1qk1 s VAL 70 Cb -0.00 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 1qk1 s VAL 70 CO 0.03 -0.38 0.16 0.00 -0.31 0.00 0.00 175.10 174.60 1qk1 s ALA 71 N -3.27 3.89 -0.13 1.32 0.00 -0.48 -4.54 121.76 118.56 1qk1 s ALA 71 Ca 0.27 -0.73 0.20 0.00 0.00 0.00 0.00 51.96 51.70 1qk1 s ALA 71 Cb 0.04 -1.88 -0.18 0.00 0.00 0.00 0.00 23.12 21.10 1qk1 s ALA 71 CO 0.08 0.70 0.67 0.41 0.00 0.00 0.00 175.76 177.63 1qk1 n GLY 72 N 1.32 -1.18 3.84 0.00 0.00 -1.26 -4.60 105.19 103.31 1qk1 n GLY 72 Ca -0.14 -0.29 -0.05 0.00 0.00 0.00 0.00 46.02 45.54 1qk1 n GLY 72 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1qk1 s ASP 73 N -5.29 -0.02 0.24 1.61 1.47 -1.26 -0.64 116.67 112.77 1qk1 s ASP 73 Ca -0.05 -0.82 -0.06 0.00 1.18 0.00 0.00 52.55 52.80 1qk1 s ASP 73 Cb 0.10 0.64 0.23 0.00 -0.34 0.00 0.00 42.92 43.55 1qk1 s ASP 73 CO 0.84 -1.25 1.86 -0.08 0.68 0.00 0.00 175.17 177.21 1qk1 h GLU 74 N 2.00 1.23 0.00 2.11 4.81 -1.96 -2.66 114.58 120.12 1qk1 h GLU 74 Ca -0.29 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 1qk1 h GLU 74 Cb 1.23 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 1qk1 h GLU 74 CO 0.36 0.91 -0.13 0.93 -0.73 0.00 0.00 179.01 180.35 1qk1 h GLU 75 N 1.23 0.00 -0.76 1.92 3.07 -2.01 -3.19 114.58 114.84 1qk1 h GLU 75 Ca 0.31 0.00 0.17 0.00 -0.50 0.00 0.00 59.36 59.34 1qk1 h GLU 75 Cb 0.04 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 27.84 1qk1 h GLU 75 CO -0.05 0.13 0.18 1.15 -1.40 0.00 0.00 179.01 179.02 1qk1 h THR 76 N 0.00 0.48 0.00 1.13 2.02 -1.88 0.28 112.91 114.93 1qk1 h THR 76 Ca -0.00 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1qk1 h THR 76 Cb 0.38 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1qk1 h THR 76 CO 0.02 0.05 -0.02 1.88 0.37 0.00 0.00 175.52 177.82 1qk1 h TYR 77 N 0.25 0.00 0.00 3.16 0.05 -1.74 -1.65 116.97 117.05 1qk1 h TYR 77 Ca 0.43 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.94 1qk1 h TYR 77 Cb 0.76 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.46 1qk1 h TYR 77 CO -0.27 0.02 -1.61 -1.91 -1.05 0.00 0.00 178.16 173.34 1qk1 n GLU 78 N -3.21 0.56 -0.32 4.88 2.13 -0.03 -3.35 120.64 121.30 1qk1 n GLU 78 Ca -0.02 0.44 0.02 0.00 0.66 0.00 0.00 57.16 58.26 1qk1 n GLU 78 Cb 0.15 -1.63 0.16 0.00 0.27 0.00 0.00 31.44 30.39 1qk1 n GLU 78 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1qk1 h VAL 79 N -1.00 1.02 -0.58 6.31 2.07 -1.23 -2.52 116.25 120.32 1qk1 h VAL 79 Ca -0.41 -0.34 -0.25 0.00 0.82 0.00 0.00 66.70 66.52 1qk1 h VAL 79 Cb 1.31 -0.05 -0.15 0.00 -1.52 0.00 0.00 31.29 30.87 1qk1 h VAL 79 CO -0.25 0.18 0.19 0.49 0.02 0.00 0.00 177.57 178.20 1qk1 n PHE 80 N -4.62 1.84 -0.28 1.57 3.72 -0.62 -4.71 117.46 114.37 1qk1 n PHE 80 Ca 0.14 -1.50 0.18 0.00 -0.05 0.00 0.00 57.45 56.22 1qk1 n PHE 80 Cb 0.21 -0.63 0.47 0.00 -0.94 0.00 0.00 39.48 38.59 1qk1 n PHE 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qk1 h ALA 81 N 1.40 2.09 -0.01 4.37 0.00 -1.45 -1.40 119.26 124.25 1qk1 h ALA 81 Ca 0.31 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1qk1 h ALA 81 Cb 2.08 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.84 1qk1 h ALA 81 CO 0.62 -0.41 0.11 -0.44 0.00 0.00 0.00 179.25 179.13 1qk1 h ASP 82 N 0.49 0.00 0.00 0.00 3.32 -1.85 0.18 116.42 118.56 1qk1 h ASP 82 Ca 0.52 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 57.24 1qk1 h ASP 82 Cb 1.16 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.66 1qk1 h ASP 82 CO -0.24 0.00 -2.15 -0.11 -1.72 0.00 0.00 179.24 175.02 1qk1 n LEU 83 N -3.11 2.18 -0.20 1.55 0.00 -0.59 -4.60 117.00 112.23 1qk1 n LEU 83 Ca -0.02 0.09 -0.07 0.00 0.00 0.00 0.00 56.01 56.00 1qk1 n LEU 83 Cb 0.18 -0.65 0.02 0.00 0.00 0.00 0.00 43.42 42.97 1qk1 n LEU 83 CO 0.19 0.62 1.01 -0.26 0.00 0.00 0.00 177.39 178.96 1qk1 h PHE 84 N -0.40 0.81 0.00 1.96 0.04 -1.16 -2.99 116.94 115.20 1qk1 h PHE 84 Ca -0.49 -0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.26 1qk1 h PHE 84 Cb 1.57 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 39.44 1qk1 h PHE 84 CO -0.03 0.62 -0.15 -0.44 -0.60 0.00 0.00 178.31 177.72 1qk1 h ASP 85 N 0.76 -0.42 -1.00 2.17 3.32 -1.22 0.28 116.42 120.31 1qk1 h ASP 85 Ca 0.19 0.06 0.07 0.00 0.02 0.00 0.00 57.03 57.37 1qk1 h ASP 85 Cb 0.11 0.18 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 1qk1 h ASP 85 CO -0.02 -0.20 0.65 -0.65 -1.72 0.00 0.00 179.24 177.29 1qk1 h PRO 86 N -0.25 1.13 -0.22 3.56 0.11 -1.78 0.82 132.00 135.38 1qk1 h PRO 86 Ca 0.05 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 1qk1 h PRO 86 Cb 0.31 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 1qk1 h PRO 86 CO -0.14 0.75 -0.01 0.28 -0.21 0.00 0.00 178.00 178.67 1qk1 h VAL 87 N 1.17 1.26 -0.61 3.15 2.07 -1.26 -1.85 116.25 120.18 1qk1 h VAL 87 Ca 0.43 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 67.04 1qk1 h VAL 87 Cb 0.17 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1qk1 h VAL 87 CO -0.17 0.29 0.39 0.40 0.02 0.00 0.00 177.57 178.50 1qk1 h ILE 88 N 0.16 1.12 -0.70 4.57 2.04 0.09 -1.05 117.51 123.74 1qk1 h ILE 88 Ca 0.06 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1qk1 h ILE 88 Cb 0.43 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1qk1 h ILE 88 CO 0.01 0.14 0.41 -0.61 0.00 0.00 0.00 178.15 178.11 1qk1 h GLN 89 N 0.79 0.96 -0.22 2.37 4.15 -0.72 -0.83 115.11 121.61 1qk1 h GLN 89 Ca 0.23 -0.10 -0.06 0.00 0.77 0.00 0.00 58.65 59.50 1qk1 h GLN 89 Cb -0.04 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 1qk1 h GLN 89 CO -0.07 0.69 -0.09 1.49 -1.93 0.00 0.00 178.83 178.92 1qk1 h GLU 90 N 0.95 0.45 -0.32 1.69 4.81 -0.97 -1.63 114.58 119.56 1qk1 h GLU 90 Ca 0.25 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1qk1 h GLU 90 Cb -0.01 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1qk1 h GLU 90 CO -0.04 0.71 -0.03 -0.09 -0.73 0.00 0.00 179.01 178.83 1qk1 h ARG 91 N 0.16 0.51 -0.92 1.92 9.65 -1.01 -2.75 114.38 121.93 1qk1 h ARG 91 Ca 0.05 -0.12 -0.63 0.00 -1.10 0.00 0.00 59.98 58.19 1qk1 h ARG 91 Cb 0.57 -0.07 -0.35 0.00 -1.39 0.00 0.00 29.97 28.73 1qk1 h ARG 91 CO 0.03 0.56 0.16 0.72 2.80 0.00 0.00 179.97 184.24 1qk1 n HIS 92 N -4.26 3.03 -0.51 2.20 8.25 -0.33 -4.99 115.22 118.61 1qk1 n HIS 92 Ca 0.01 -2.69 0.00 0.00 -0.26 0.00 0.00 57.72 54.78 1qk1 n HIS 92 Cb 0.26 -0.98 0.00 0.00 1.12 0.00 0.00 29.99 30.40 1qk1 n HIS 92 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1qk1 n ASN 93 N -0.82 0.00 0.00 0.41 6.94 -1.04 -2.43 115.26 118.32 1qk1 n ASN 93 Ca 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 55.11 1qk1 n ASN 93 Cb 0.78 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.20 1qk1 n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qk1 n GLY 94 N 0.24 2.91 3.70 4.83 0.00 -0.63 -5.05 105.19 111.19 1qk1 n GLY 94 Ca 0.00 -0.75 -0.53 0.00 0.00 0.00 0.00 46.02 44.75 1qk1 n GLY 94 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1qk1 n TYR 95 N 0.00 2.21 -3.64 1.61 9.36 -1.02 -4.92 117.16 120.76 1qk1 n TYR 95 Ca 0.00 0.24 -0.39 0.00 3.32 0.00 0.00 57.90 61.07 1qk1 n TYR 95 Cb 0.00 -2.57 -0.10 0.00 -0.63 0.00 0.00 39.34 36.04 1qk1 n TYR 95 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1qk1 s ASP 96 N 3.89 5.55 0.00 2.98 2.15 -1.26 -3.77 116.67 126.20 1qk1 s ASP 96 Ca 0.96 -1.63 0.04 0.00 0.43 0.00 0.00 52.55 52.35 1qk1 s ASP 96 Cb -0.87 -1.95 0.18 0.00 -0.30 0.00 0.00 42.92 39.98 1qk1 s ASP 96 CO 0.58 -0.55 1.07 -0.81 -0.17 0.00 0.00 175.17 175.30 1qk1 n PRO 97 N 4.85 0.02 0.13 4.34 -0.04 -1.26 -0.74 135.00 142.30 1qk1 n PRO 97 Ca -0.09 0.37 0.10 0.00 -0.04 0.00 0.00 63.50 63.84 1qk1 n PRO 97 Cb 0.42 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.42 1qk1 n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qk1 h ARG 98 N 0.00 0.00 0.00 0.54 3.08 -1.94 -3.40 114.38 112.66 1qk1 h ARG 98 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qk1 h ARG 98 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1qk1 h ARG 98 CO 0.00 0.04 -0.03 0.25 -1.07 0.00 0.00 179.97 179.17 1qk1 n THR 99 N -2.82 0.00 -3.93 2.04 -2.24 -0.84 -5.10 114.28 101.40 1qk1 n THR 99 Ca 0.00 -0.20 -0.22 0.00 -2.27 0.00 0.00 64.05 61.36 1qk1 n THR 99 Cb 0.58 0.95 -0.05 0.00 -2.10 0.00 0.00 70.33 69.71 1qk1 n THR 99 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1qk1 s MET 100 N -0.44 2.50 0.06 -0.78 -1.94 0.09 -5.07 119.30 113.71 1qk1 s MET 100 Ca 0.00 -1.49 0.05 0.00 -1.71 0.00 0.00 55.69 52.54 1qk1 s MET 100 Cb 0.00 -2.29 -0.03 0.00 2.01 0.00 0.00 34.83 34.53 1qk1 s MET 100 CO 0.00 0.04 -0.15 0.15 -0.01 0.00 0.00 175.02 175.05 1qk1 s LYS 101 N -3.94 0.90 -0.13 2.03 1.02 -1.26 -4.65 119.74 113.71 1qk1 s LYS 101 Ca 0.41 -0.87 -0.05 0.00 0.02 0.00 0.00 55.97 55.47 1qk1 s LYS 101 Cb -0.03 -0.93 -0.04 0.00 -0.52 0.00 0.00 37.83 36.31 1qk1 s LYS 101 CO 0.25 0.22 0.07 -1.58 -0.92 0.00 0.00 175.35 173.39 1qk1 s HIS 102 N -1.05 3.35 -0.09 3.18 5.65 -0.01 -4.87 115.29 121.45 1qk1 s HIS 102 Ca 0.00 0.28 0.03 0.00 0.25 0.00 0.00 55.06 55.63 1qk1 s HIS 102 Cb -0.09 -1.93 -0.01 0.00 -1.18 0.00 0.00 32.58 29.37 1qk1 s HIS 102 CO 0.02 0.48 -0.20 -0.08 -0.65 0.00 0.00 174.74 174.31 1qk1 s THR 103 N -0.58 2.49 -0.04 0.89 -1.32 -1.26 -4.78 115.64 111.03 1qk1 s THR 103 Ca 0.11 -0.89 -0.13 0.00 -1.21 0.00 0.00 61.69 59.57 1qk1 s THR 103 Cb -0.12 -1.97 -0.05 0.00 -1.51 0.00 0.00 72.50 68.85 1qk1 s THR 103 CO 0.02 0.56 0.33 -0.89 -2.21 0.00 0.00 174.62 172.43 1qk1 s THR 104 N 0.05 5.17 -0.25 5.08 2.01 -1.26 -3.81 115.64 122.63 1qk1 s THR 104 Ca -0.08 0.66 -0.02 0.00 0.31 0.00 0.00 61.69 62.56 1qk1 s THR 104 Cb -0.15 -3.63 0.13 0.00 0.01 0.00 0.00 72.50 68.86 1qk1 s THR 104 CO 0.05 0.58 0.33 -0.62 -0.69 0.00 0.00 174.62 174.27 1qk1 s ASP 105 N -0.96 0.83 -0.39 3.53 -1.08 -1.26 -4.97 116.67 112.37 1qk1 s ASP 105 Ca 0.21 -0.17 0.05 0.00 -0.52 0.00 0.00 52.55 52.12 1qk1 s ASP 105 Cb -0.15 0.82 0.49 0.00 -1.46 0.00 0.00 42.92 42.61 1qk1 s ASP 105 CO 0.10 -0.33 1.55 0.18 0.52 0.00 0.00 175.17 177.19 1qk1 n LEU 106 N 5.34 5.39 -4.40 -1.34 4.77 -1.26 -3.03 117.00 122.48 1qk1 n LEU 106 Ca -0.03 -4.20 -0.45 0.00 -0.03 0.00 0.00 56.01 51.30 1qk1 n LEU 106 Cb 0.49 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 1qk1 n LEU 106 CO 0.04 1.57 0.74 -0.62 -1.33 0.00 0.00 177.39 177.79 1qk1 s ASP 107 N -2.63 6.67 0.66 -1.43 -1.08 -1.26 -4.84 116.67 112.77 1qk1 s ASP 107 Ca 0.52 -2.29 0.42 0.00 -0.52 0.00 0.00 52.55 50.68 1qk1 s ASP 107 Cb 0.44 -2.32 2.29 0.00 -1.46 0.00 0.00 42.92 41.87 1qk1 s ASP 107 CO 0.01 -0.86 2.31 0.00 0.52 0.00 0.00 175.17 177.15 1qk1 h ALA 108 N 8.41 1.10 0.00 3.66 0.00 -1.91 -2.24 119.26 128.28 1qk1 h ALA 108 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1qk1 h ALA 108 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1qk1 h ALA 108 CO 0.96 -0.04 0.00 -1.13 0.00 0.00 0.00 179.25 179.04 1qk1 n SER 109 N -3.14 0.53 -0.05 0.00 3.41 -1.26 -1.99 113.62 111.13 1qk1 n SER 109 Ca -0.03 0.66 0.14 0.00 -0.26 0.00 0.00 58.87 59.38 1qk1 n SER 109 Cb 0.11 -0.76 0.59 0.00 -0.26 0.00 0.00 64.21 63.89 1qk1 n SER 109 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1qk1 n LYS 110 N -2.12 0.37 -2.50 4.33 5.02 -0.84 -4.86 118.16 117.56 1qk1 n LYS 110 Ca 0.01 -0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 55.78 1qk1 n LYS 110 Cb 0.17 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 1qk1 n LYS 110 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1qk1 s ILE 111 N -2.70 4.31 -0.15 -0.18 -1.09 -0.84 -5.02 121.20 115.52 1qk1 s ILE 111 Ca 0.23 1.64 -0.07 0.00 -2.23 0.00 0.00 60.65 60.21 1qk1 s ILE 111 Cb 0.19 -4.05 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 1qk1 s ILE 111 CO 0.52 0.05 0.10 -0.13 -1.23 0.00 0.00 174.94 174.25 1qk1 s ARG 112 N 1.71 3.74 3.21 2.79 0.52 -1.26 -4.94 118.95 124.72 1qk1 s ARG 112 Ca 0.56 -0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.52 1qk1 s ARG 112 Cb -0.25 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 32.01 1qk1 s ARG 112 CO 0.25 0.50 0.00 0.45 0.02 0.00 0.00 175.30 176.52 1qk1 n SER 113 N 2.85 -0.20 0.00 0.23 2.88 -1.26 -4.98 113.62 113.14 1qk1 n SER 113 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1qk1 n SER 113 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1qk1 n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qk1 n GLY 114 N 0.00 1.45 2.95 0.46 0.00 -1.26 -4.74 105.19 104.04 1qk1 n GLY 114 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1qk1 n GLY 114 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qk1 s TYR 115 N -2.00 3.14 0.53 1.61 6.14 -1.26 -1.40 117.35 124.11 1qk1 s TYR 115 Ca 0.00 -2.57 -0.17 0.00 0.64 0.00 0.00 57.07 54.96 1qk1 s TYR 115 Cb 0.00 -2.49 -0.07 0.00 0.42 0.00 0.00 41.96 39.83 1qk1 s TYR 115 CO 0.00 -0.92 1.01 -0.06 0.64 0.00 0.00 175.55 176.23 1qk1 s PHE 116 N 1.12 3.23 -0.28 4.97 0.08 0.62 -4.97 117.98 122.75 1qk1 s PHE 116 Ca 0.09 1.51 -0.28 0.00 0.12 0.00 0.00 56.93 58.36 1qk1 s PHE 116 Cb -0.19 -2.90 -0.03 0.00 -0.57 0.00 0.00 43.02 39.33 1qk1 s PHE 116 CO -0.12 -0.65 1.92 0.34 -0.10 0.00 0.00 175.22 176.61 1qk1 s ASP 117 N -2.75 5.79 0.00 1.36 -1.08 -1.26 -4.55 116.67 114.18 1qk1 s ASP 117 Ca 0.62 1.52 0.03 0.00 -0.52 0.00 0.00 52.55 54.20 1qk1 s ASP 117 Cb -0.13 -2.52 0.17 0.00 -1.46 0.00 0.00 42.92 38.98 1qk1 s ASP 117 CO 0.30 -1.75 0.59 -0.62 0.52 0.00 0.00 175.17 174.21 1qk1 n GLU 118 N 8.48 0.42 0.00 4.34 1.02 -1.26 -1.94 120.64 131.70 1qk1 n GLU 118 Ca 0.25 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.50 1qk1 n GLU 118 Cb 0.46 -1.10 0.14 0.00 -0.02 0.00 0.00 31.44 30.91 1qk1 n GLU 118 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1qk1 n ARG 119 N -0.60 0.00 -0.03 3.49 1.74 -1.26 -4.35 116.66 115.65 1qk1 n ARG 119 Ca 0.02 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.06 1qk1 n ARG 119 Cb 0.01 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 29.93 1qk1 n ARG 119 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1qk1 n TYR 120 N -1.50 0.00 -3.25 -1.55 4.01 -0.82 -4.88 117.16 109.18 1qk1 n TYR 120 Ca 0.05 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.37 1qk1 n TYR 120 Cb 0.33 -0.20 -0.08 0.00 -0.31 0.00 0.00 39.34 39.09 1qk1 n TYR 120 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1qk1 s VAL 121 N -2.10 5.00 0.06 -0.72 1.01 -0.98 0.37 120.40 123.04 1qk1 s VAL 121 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 1qk1 s VAL 121 Cb 0.02 -4.05 -0.29 0.00 0.00 0.00 0.00 36.38 32.06 1qk1 s VAL 121 CO 0.11 -0.39 1.11 -0.07 0.00 0.00 0.00 175.10 175.87 1qk1 h LEU 122 N 9.22 0.79 -7.30 3.92 3.38 -0.67 -3.39 115.31 121.25 1qk1 h LEU 122 Ca -0.27 -0.75 -0.05 0.00 0.09 0.00 0.00 57.88 56.90 1qk1 h LEU 122 Cb 1.11 -0.25 -0.14 0.00 0.09 0.00 0.00 40.66 41.48 1qk1 h LEU 122 CO 0.81 1.56 -0.02 -0.94 0.09 0.00 0.00 178.44 179.94 1qk1 s SER 123 N -7.39 -0.32 -0.02 -0.43 1.04 -1.17 0.19 113.70 105.60 1qk1 s SER 123 Ca -0.08 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.23 1qk1 s SER 123 Cb 0.06 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 66.66 1qk1 s SER 123 CO 0.92 -0.82 -0.12 -0.44 0.98 0.00 0.00 173.24 173.77 1qk1 s SER 124 N -2.55 1.43 -0.00 7.02 0.01 -0.48 -1.61 113.70 117.51 1qk1 s SER 124 Ca 0.00 -0.22 -0.17 0.00 1.31 0.00 0.00 55.95 56.87 1qk1 s SER 124 Cb 0.01 -0.26 0.03 0.00 0.21 0.00 0.00 66.02 66.01 1qk1 s SER 124 CO -0.09 0.12 0.37 0.00 0.41 0.00 0.00 173.24 174.06 1qk1 s ARG 125 N -0.10 0.78 -0.07 12.44 1.70 -0.39 -1.90 118.95 131.42 1qk1 s ARG 125 Ca 0.01 -0.20 0.02 0.00 -0.47 0.00 0.00 55.73 55.09 1qk1 s ARG 125 Cb -0.07 0.35 0.02 0.00 -0.57 0.00 0.00 34.95 34.68 1qk1 s ARG 125 CO 0.00 -0.23 -0.10 0.08 -1.08 0.00 0.00 175.30 173.97 1qk1 s VAL 126 N -1.65 1.00 0.10 4.99 1.01 -0.02 -0.93 120.40 124.89 1qk1 s VAL 126 Ca -0.11 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.56 1qk1 s VAL 126 Cb -0.03 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1qk1 s VAL 126 CO 0.03 0.33 -0.17 -0.60 0.00 0.00 0.00 175.10 174.69 1qk1 s ARG 127 N 0.83 1.00 0.38 2.72 3.52 -0.57 -1.09 118.95 125.74 1qk1 s ARG 127 Ca -0.12 -1.12 -0.11 0.00 -0.13 0.00 0.00 55.73 54.25 1qk1 s ARG 127 Cb -0.15 -1.08 0.05 0.00 -1.56 0.00 0.00 34.95 32.20 1qk1 s ARG 127 CO 0.02 0.24 0.70 -2.37 -0.81 0.00 0.00 175.30 173.08 1qk1 n THR 128 N 1.00 0.00 -4.06 4.11 5.66 -0.36 -1.23 114.28 119.40 1qk1 n THR 128 Ca -0.19 -1.18 -0.09 0.00 -3.05 0.00 0.00 64.05 59.54 1qk1 n THR 128 Cb 0.55 1.00 -0.10 0.00 -1.55 0.00 0.00 70.33 70.22 1qk1 n THR 128 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1qk1 s GLY 129 N -3.06 0.44 -0.01 1.09 0.00 -1.26 -0.35 107.32 104.17 1qk1 s GLY 129 Ca 0.19 -0.98 -0.02 0.00 0.00 0.00 0.00 44.72 43.92 1qk1 s GLY 129 CO 0.14 -1.07 0.03 0.50 0.00 0.00 0.00 173.10 172.71 1qk1 s ARG 130 N -2.84 0.15 -0.02 2.90 1.81 -0.83 -4.94 118.95 115.17 1qk1 s ARG 130 Ca -0.02 -0.14 0.05 0.00 -1.72 0.00 0.00 55.73 53.90 1qk1 s ARG 130 Cb -0.00 0.06 -0.03 0.00 -0.45 0.00 0.00 34.95 34.53 1qk1 s ARG 130 CO -0.05 -0.03 -0.16 -1.12 -0.68 0.00 0.00 175.30 173.26 1qk1 s SER 131 N -0.46 3.91 -0.27 0.23 0.01 -1.26 -2.42 113.70 113.44 1qk1 s SER 131 Ca -0.05 -0.27 -0.22 0.00 1.31 0.00 0.00 55.95 56.72 1qk1 s SER 131 Cb -0.03 -0.75 -0.01 0.00 0.21 0.00 0.00 66.02 65.43 1qk1 s SER 131 CO -0.00 0.32 0.71 -0.63 0.41 0.00 0.00 173.24 174.05 1qk1 s ILE 132 N -0.78 4.91 0.38 1.44 -1.09 -1.26 -0.37 121.20 124.42 1qk1 s ILE 132 Ca 0.12 1.21 -0.28 0.00 -2.23 0.00 0.00 60.65 59.47 1qk1 s ILE 132 Cb -0.11 -4.03 -0.11 0.00 -1.58 0.00 0.00 42.46 36.64 1qk1 s ILE 132 CO 0.02 -0.07 1.44 -1.14 -1.23 0.00 0.00 174.94 173.96 1qk1 n ARG 133 N 5.90 2.54 -0.04 2.79 0.63 0.02 -2.93 116.66 125.57 1qk1 n ARG 133 Ca 0.02 0.89 0.00 0.00 -0.92 0.00 0.00 57.85 57.84 1qk1 n ARG 133 Cb 0.48 -2.60 0.00 0.00 0.45 0.00 0.00 32.46 30.80 1qk1 n ARG 133 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1qk1 n GLY 134 N 0.52 0.85 3.28 5.14 0.00 -1.26 -4.73 105.19 108.99 1qk1 n GLY 134 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1qk1 n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qk1 s LEU 135 N 0.00 2.05 0.73 0.99 1.43 -1.15 -5.12 118.68 117.60 1qk1 s LEU 135 Ca 0.00 -0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 52.50 1qk1 s LEU 135 Cb 0.00 -1.28 0.04 0.00 0.03 0.00 0.00 46.19 44.97 1qk1 s LEU 135 CO 0.00 0.30 1.19 -0.44 0.23 0.00 0.00 176.35 177.62 1qk1 s SER 136 N -0.52 4.29 0.74 2.29 0.01 -1.26 -4.82 113.70 114.43 1qk1 s SER 136 Ca 0.08 2.29 -0.11 0.00 1.31 0.00 0.00 55.95 59.52 1qk1 s SER 136 Cb -0.10 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.58 1qk1 s SER 136 CO -0.00 -2.20 1.09 -0.76 0.41 0.00 0.00 173.24 171.78 1qk1 s LEU 137 N -5.17 2.80 0.41 2.44 1.43 0.18 -4.44 118.68 116.34 1qk1 s LEU 137 Ca 0.73 1.22 0.26 0.00 -1.03 0.00 0.00 54.13 55.31 1qk1 s LEU 137 Cb -0.28 -3.96 1.37 0.00 0.03 0.00 0.00 46.19 43.35 1qk1 s LEU 137 CO 0.45 -1.57 1.61 -0.65 0.23 0.00 0.00 176.35 176.42 1qk1 h PRO 138 N -0.81 0.09 0.00 1.29 0.11 -1.88 -0.10 132.00 130.70 1qk1 h PRO 138 Ca -0.46 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 1qk1 h PRO 138 Cb 1.26 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1qk1 h PRO 138 CO 0.62 0.06 -0.28 -1.35 -0.21 0.00 0.00 178.00 176.83 1qk1 h PRO 139 N 0.09 0.00 0.00 1.05 0.11 -1.81 -3.37 132.00 128.07 1qk1 h PRO 139 Ca 0.82 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.93 1qk1 h PRO 139 Cb 2.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.50 1qk1 h PRO 139 CO -0.54 0.28 -0.58 0.00 -0.21 0.00 0.00 178.00 176.96 1qk1 n ALA 140 N -2.37 2.07 -1.76 -0.75 0.00 -0.19 -4.73 120.51 112.77 1qk1 n ALA 140 Ca -0.01 -0.02 -0.39 0.00 0.00 0.00 0.00 53.44 53.01 1qk1 n ALA 140 Cb 0.37 -0.03 0.02 0.00 0.00 0.00 0.00 19.45 19.81 1qk1 n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qk1 s THR 142 N -1.23 2.11 0.24 0.00 -4.23 -1.26 -4.84 115.64 106.44 1qk1 s THR 142 Ca 0.63 -0.26 -0.06 0.00 -1.18 0.00 0.00 61.69 60.82 1qk1 s THR 142 Cb -0.43 -2.85 0.21 0.00 1.34 0.00 0.00 72.50 70.77 1qk1 s THR 142 CO 0.54 0.00 1.86 0.03 -0.54 0.00 0.00 174.62 176.52 1qk1 h ARG 143 N -1.01 1.20 -0.51 3.99 3.08 -1.99 -1.26 114.38 117.89 1qk1 h ARG 143 Ca -0.42 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.43 1qk1 h ARG 143 Cb 1.27 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 1qk1 h ARG 143 CO 0.45 0.88 0.09 0.00 -1.07 0.00 0.00 179.97 180.33 1qk1 h ALA 144 N 1.30 0.67 -0.45 0.04 0.00 -1.99 0.12 119.26 118.95 1qk1 h ALA 144 Ca 0.30 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1qk1 h ALA 144 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1qk1 h ALA 144 CO -0.05 0.40 0.19 0.93 0.00 0.00 0.00 179.25 180.72 1qk1 h GLU 145 N 0.72 0.67 -0.57 0.00 5.08 -1.85 -1.03 114.58 117.59 1qk1 h GLU 145 Ca 0.16 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1qk1 h GLU 145 Cb 0.38 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1qk1 h GLU 145 CO 0.01 0.60 0.28 -0.09 -1.00 0.00 0.00 179.01 178.81 1qk1 h ARG 146 N 0.59 0.82 -0.11 2.33 2.43 -1.03 -1.71 114.38 117.70 1qk1 h ARG 146 Ca 0.15 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1qk1 h ARG 146 Cb 0.17 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1qk1 h ARG 146 CO -0.01 0.66 -0.11 0.00 -1.51 0.00 0.00 179.97 178.99 1qk1 h ARG 147 N 0.78 0.17 -0.42 0.20 3.08 -0.75 -2.34 114.38 115.10 1qk1 h ARG 147 Ca 0.20 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 1qk1 h ARG 147 Cb 0.10 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1qk1 h ARG 147 CO -0.03 0.30 -0.04 1.49 -1.07 0.00 0.00 179.97 180.62 1qk1 h GLU 148 N 0.17 0.78 -0.73 0.04 4.57 -0.34 -1.00 114.58 118.07 1qk1 h GLU 148 Ca 0.04 -0.27 0.03 0.00 -1.18 0.00 0.00 59.36 57.98 1qk1 h GLU 148 Cb 0.31 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.80 1qk1 h GLU 148 CO 0.02 0.87 0.46 0.28 -1.18 0.00 0.00 179.01 179.46 1qk1 h VAL 149 N 0.61 1.10 0.11 0.32 2.07 -0.85 -0.31 116.25 119.30 1qk1 h VAL 149 Ca 0.11 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1qk1 h VAL 149 Cb 0.55 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1qk1 h VAL 149 CO 0.03 0.16 -0.05 -0.08 0.02 0.00 0.00 177.57 177.65 1qk1 h GLU 150 N 0.90 -0.14 -0.19 1.57 4.81 -1.08 -2.14 114.58 118.31 1qk1 h GLU 150 Ca 0.29 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.58 1qk1 h GLU 150 Cb 0.02 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.36 1qk1 h GLU 150 CO -0.11 -0.01 -0.39 0.00 -0.73 0.00 0.00 179.01 177.77 1qk1 h ARG 151 N -0.25 -0.41 0.43 1.92 3.08 -0.78 0.01 114.38 118.38 1qk1 h ARG 151 Ca -0.02 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1qk1 h ARG 151 Cb 0.20 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1qk1 h ARG 151 CO 0.03 -0.28 -0.30 0.28 -1.07 0.00 0.00 179.97 178.63 1qk1 h VAL 152 N -0.43 0.39 -0.11 2.04 2.07 -1.03 -2.40 116.25 116.77 1qk1 h VAL 152 Ca 0.10 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.64 1qk1 h VAL 152 Cb 0.59 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1qk1 h VAL 152 CO -0.42 0.00 -0.01 0.58 0.02 0.00 0.00 177.57 177.74 1qk1 h VAL 153 N -0.71 0.91 -0.66 2.57 2.07 -1.25 -2.22 116.25 116.96 1qk1 h VAL 153 Ca -0.04 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.57 1qk1 h VAL 153 Cb 0.60 0.88 -0.08 0.00 -1.52 0.00 0.00 31.29 31.17 1qk1 h VAL 153 CO 0.03 0.01 0.27 0.58 0.02 0.00 0.00 177.57 178.47 1qk1 h VAL 154 N 0.03 0.76 -0.46 2.57 2.07 -0.96 0.74 116.25 121.00 1qk1 h VAL 154 Ca 0.05 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1qk1 h VAL 154 Cb 0.07 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1qk1 h VAL 154 CO -0.10 0.08 0.29 0.44 0.02 0.00 0.00 177.57 178.31 1qk1 h ASP 155 N 0.46 0.54 -0.41 0.57 3.32 -1.15 -1.65 116.42 118.09 1qk1 h ASP 155 Ca 0.34 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.37 1qk1 h ASP 155 Cb 0.43 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1qk1 h ASP 155 CO -0.32 0.42 0.25 0.00 -1.72 0.00 0.00 179.24 177.87 1qk1 h ALA 156 N 1.15 0.52 -0.43 3.45 0.00 -0.58 -2.63 119.26 120.74 1qk1 h ALA 156 Ca 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1qk1 h ALA 156 Cb -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1qk1 h ALA 156 CO -0.03 -0.07 0.14 -0.07 0.00 0.00 0.00 179.25 179.22 1qk1 h LEU 157 N 0.50 0.56 0.00 0.00 3.38 -0.58 -1.33 115.31 117.84 1qk1 h LEU 157 Ca 0.16 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1qk1 h LEU 157 Cb -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1qk1 h LEU 157 CO -0.07 0.54 0.00 -1.54 0.09 0.00 0.00 178.44 177.46 1qk1 n SER 158 N -4.35 0.00 -0.36 -0.43 3.41 -0.65 -1.81 113.62 109.43 1qk1 n SER 158 Ca 0.03 0.24 0.12 0.00 -0.26 0.00 0.00 58.87 59.00 1qk1 n SER 158 Cb 0.17 -0.37 0.22 0.00 -0.26 0.00 0.00 64.21 63.97 1qk1 n SER 158 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qk1 n GLY 159 N -0.04 -0.32 3.77 5.00 0.00 -0.50 -4.93 105.19 108.16 1qk1 n GLY 159 Ca 0.06 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 1qk1 n GLY 159 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qk1 s LEU 160 N -2.48 4.36 0.39 0.99 1.43 -0.75 -5.05 118.68 117.57 1qk1 s LEU 160 Ca 0.22 2.25 0.04 0.00 -1.03 0.00 0.00 54.13 55.61 1qk1 s LEU 160 Cb 0.19 -3.86 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 1qk1 s LEU 160 CO 0.54 -0.37 0.12 -0.54 0.23 0.00 0.00 176.35 176.33 1qk1 s LYS 161 N -1.93 1.88 6.95 1.70 1.02 -1.26 -4.22 119.74 123.87 1qk1 s LYS 161 Ca 0.51 -2.13 0.00 0.00 0.02 0.00 0.00 55.97 54.37 1qk1 s LYS 161 Cb -0.29 -0.61 0.00 0.00 -0.52 0.00 0.00 37.83 36.41 1qk1 s LYS 161 CO 0.38 -0.44 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 1qk1 n GLY 162 N -0.86 2.30 0.00 -3.33 0.00 -1.26 -2.00 105.19 100.04 1qk1 n GLY 162 Ca -0.05 -0.36 0.15 0.00 0.00 0.00 0.00 46.02 45.76 1qk1 n GLY 162 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qk1 n ASP 163 N 5.24 0.02 -0.65 1.61 5.75 -1.26 -2.80 116.55 124.46 1qk1 n ASP 163 Ca 0.00 -0.59 0.11 0.00 -0.01 0.00 0.00 54.79 54.31 1qk1 n ASP 163 Cb 0.00 -0.14 0.05 0.00 -1.03 0.00 0.00 41.12 40.00 1qk1 n ASP 163 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1qk1 n LEU 164 N -1.13 2.34 -4.77 -2.12 4.77 -0.85 -4.68 117.00 110.57 1qk1 n LEU 164 Ca 0.19 -0.83 -0.39 0.00 -0.03 0.00 0.00 56.01 54.95 1qk1 n LEU 164 Cb 0.18 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1qk1 n LEU 164 CO 0.21 0.42 0.91 0.00 -1.33 0.00 0.00 177.39 177.59 1qk1 s ALA 165 N -2.31 3.22 0.00 -1.18 0.00 -1.12 -4.59 121.76 115.78 1qk1 s ALA 165 Ca 0.22 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1qk1 s ALA 165 Cb 0.19 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1qk1 s ALA 165 CO 0.47 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1qk1 n GLY 166 N 0.67 3.48 3.03 0.00 0.00 -1.26 -1.09 105.19 110.03 1qk1 n GLY 166 Ca 0.04 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 1qk1 n GLY 166 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qk1 s ARG 167 N 1.02 0.50 -0.02 1.61 3.52 -0.79 -4.91 118.95 119.87 1qk1 s ARG 167 Ca 0.00 -0.60 0.03 0.00 -0.13 0.00 0.00 55.73 55.03 1qk1 s ARG 167 Cb 0.00 -0.33 -0.03 0.00 -1.56 0.00 0.00 34.95 33.03 1qk1 s ARG 167 CO 0.00 0.07 -0.09 -0.47 -0.81 0.00 0.00 175.30 174.00 1qk1 s TYR 168 N -1.02 2.85 -0.08 5.12 5.04 -1.26 -2.45 117.35 125.55 1qk1 s TYR 168 Ca -0.06 -0.05 0.02 0.00 -2.44 0.00 0.00 57.07 54.53 1qk1 s TYR 168 Cb -0.08 -1.63 0.02 0.00 0.35 0.00 0.00 41.96 40.62 1qk1 s TYR 168 CO 0.00 0.32 -0.11 0.71 -1.34 0.00 0.00 175.55 175.13 1qk1 s TYR 169 N -0.89 1.48 -0.10 4.97 1.51 0.12 -4.98 117.35 119.45 1qk1 s TYR 169 Ca 0.15 -0.60 -0.21 0.00 -1.01 0.00 0.00 57.07 55.39 1qk1 s TYR 169 Cb -0.11 -1.12 -0.04 0.00 -0.11 0.00 0.00 41.96 40.58 1qk1 s TYR 169 CO 0.04 -0.34 0.62 1.03 -1.11 0.00 0.00 175.55 175.79 1qk1 s ARG 170 N 0.92 4.37 0.47 -0.62 0.52 -1.26 -0.65 118.95 122.69 1qk1 s ARG 170 Ca -0.10 0.71 0.14 0.00 -0.52 0.00 0.00 55.73 55.96 1qk1 s ARG 170 Cb -0.15 -3.46 1.10 0.00 0.52 0.00 0.00 34.95 32.95 1qk1 s ARG 170 CO 0.01 0.04 2.07 -0.07 0.02 0.00 0.00 175.30 177.37 1qk1 h LEU 171 N 6.98 0.23 -1.15 2.53 3.38 -1.77 -2.24 115.31 123.26 1qk1 h LEU 171 Ca -0.39 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1qk1 h LEU 171 Cb 1.18 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1qk1 h LEU 171 CO 0.76 0.16 0.00 0.77 0.09 0.00 0.00 178.44 180.22 1qk1 h SER 172 N 0.27 0.00 0.00 -0.43 4.64 -1.81 -3.22 113.55 113.00 1qk1 h SER 172 Ca 0.13 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.43 1qk1 h SER 172 Cb 0.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.24 1qk1 h SER 172 CO -0.03 0.00 -0.32 -1.84 -0.87 0.00 0.00 176.83 173.77 1qk1 n GLU 173 N -2.93 0.79 -2.47 4.77 0.28 -0.94 -5.05 120.64 115.10 1qk1 n GLU 173 Ca 0.01 -2.10 -0.41 0.00 -0.16 0.00 0.00 57.16 54.50 1qk1 n GLU 173 Cb 0.32 -1.05 -0.04 0.00 1.43 0.00 0.00 31.44 32.10 1qk1 n GLU 173 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 1qk1 s MET 174 N -1.73 4.54 0.61 3.44 1.75 -0.89 -4.92 119.30 122.11 1qk1 s MET 174 Ca 0.23 1.76 -0.08 0.00 -1.25 0.00 0.00 55.69 56.35 1qk1 s MET 174 Cb 0.21 -3.28 0.00 0.00 2.84 0.00 0.00 34.83 34.60 1qk1 s MET 174 CO -0.01 -0.02 0.95 0.95 -0.65 0.00 0.00 175.02 176.24 1qk1 s THR 175 N 0.01 3.81 0.42 10.11 -4.23 -1.26 -4.88 115.64 119.61 1qk1 s THR 175 Ca 0.52 0.21 0.09 0.00 -1.18 0.00 0.00 61.69 61.33 1qk1 s THR 175 Cb -0.30 -3.53 0.22 0.00 1.34 0.00 0.00 72.50 70.23 1qk1 s THR 175 CO 0.34 -0.59 2.01 -0.33 -0.54 0.00 0.00 174.62 175.51 1qk1 h GLU 176 N -0.27 0.33 0.21 3.99 5.08 -1.99 -0.07 114.58 121.85 1qk1 h GLU 176 Ca -0.45 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 1qk1 h GLU 176 Cb 1.25 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1qk1 h GLU 176 CO 0.62 0.32 -0.10 0.00 -1.00 0.00 0.00 179.01 178.84 1qk1 h ALA 177 N 1.73 -0.29 -0.77 3.43 0.00 -2.00 -2.33 119.26 119.04 1qk1 h ALA 177 Ca 0.08 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1qk1 h ALA 177 Cb 0.15 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1qk1 h ALA 177 CO -0.00 -0.54 0.51 0.93 0.00 0.00 0.00 179.25 180.14 1qk1 h GLU 178 N -0.53 1.00 0.19 0.00 5.08 -1.85 -1.92 114.58 116.55 1qk1 h GLU 178 Ca -0.03 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1qk1 h GLU 178 Cb 0.40 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1qk1 h GLU 178 CO 0.05 0.66 -0.37 0.37 -1.00 0.00 0.00 179.01 178.72 1qk1 h GLN 179 N 1.03 -0.63 -0.45 2.33 4.15 -0.95 -1.27 115.11 119.31 1qk1 h GLN 179 Ca 0.28 0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.83 1qk1 h GLN 179 Cb -0.10 0.14 -0.07 0.00 0.21 0.00 0.00 27.48 27.66 1qk1 h GLN 179 CO -0.07 -0.42 0.02 0.37 -1.93 0.00 0.00 178.83 176.81 1qk1 h GLN 180 N -0.65 0.13 -0.43 1.69 5.75 -1.27 0.09 115.11 120.43 1qk1 h GLN 180 Ca 0.01 -0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.56 1qk1 h GLN 180 Cb 0.65 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 29.12 1qk1 h GLN 180 CO -0.17 0.09 0.15 0.37 -2.65 0.00 0.00 178.83 176.61 1qk1 h GLN 181 N 0.14 0.31 -0.27 1.69 5.75 -1.00 -0.36 115.11 121.36 1qk1 h GLN 181 Ca 0.23 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.66 1qk1 h GLN 181 Cb 0.32 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 1qk1 h GLN 181 CO -0.36 0.20 -0.03 -0.07 -2.65 0.00 0.00 178.83 175.93 1qk1 h LEU 182 N 0.32 0.38 -0.53 -2.39 3.38 -0.37 -1.65 115.31 114.45 1qk1 h LEU 182 Ca 0.20 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1qk1 h LEU 182 Cb 0.19 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1qk1 h LEU 182 CO -0.20 0.47 -0.34 0.40 0.09 0.00 0.00 178.44 178.85 1qk1 h ILE 183 N 0.39 1.28 -0.40 1.22 2.04 -0.13 -0.02 117.51 121.89 1qk1 h ILE 183 Ca 0.09 -1.51 -0.10 0.00 1.00 0.00 0.00 64.86 64.34 1qk1 h ILE 183 Cb 0.31 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1qk1 h ILE 183 CO 0.01 0.50 -0.15 0.44 0.00 0.00 0.00 178.15 178.95 1qk1 h ASP 184 N 0.68 0.73 0.99 1.72 3.32 -0.57 -2.29 116.42 121.00 1qk1 h ASP 184 Ca 0.07 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1qk1 h ASP 184 Cb 0.90 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1qk1 h ASP 184 CO 0.08 0.89 0.00 0.47 -1.72 0.00 0.00 179.24 178.96 1qk1 n ASP 185 N -4.15 0.09 -2.40 6.45 8.00 -0.67 -4.91 116.55 118.96 1qk1 n ASP 185 Ca 0.01 0.51 -0.14 0.00 0.71 0.00 0.00 54.79 55.88 1qk1 n ASP 185 Cb 0.38 -0.54 0.05 0.00 -0.02 0.00 0.00 41.12 40.99 1qk1 n ASP 185 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1qk1 n HIS 186 N -1.59 -1.69 0.23 1.24 8.25 -0.79 -4.94 115.22 115.92 1qk1 n HIS 186 Ca 0.06 0.61 0.05 0.00 -0.26 0.00 0.00 57.72 58.18 1qk1 n HIS 186 Cb 0.33 -3.54 -0.07 0.00 1.12 0.00 0.00 29.99 27.84 1qk1 n HIS 186 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1qk1 n PHE 187 N -3.85 0.00 -2.41 4.41 3.72 -0.09 -5.02 117.46 114.22 1qk1 n PHE 187 Ca -0.02 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.06 1qk1 n PHE 187 Cb 0.55 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 38.94 1qk1 n PHE 187 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1qk1 s LEU 188 N -3.06 3.62 0.04 4.37 2.96 -1.15 -5.01 118.68 120.45 1qk1 s LEU 188 Ca 0.00 1.52 0.00 0.00 -0.22 0.00 0.00 54.13 55.43 1qk1 s LEU 188 Cb 0.07 -4.46 -0.03 0.00 0.50 0.00 0.00 46.19 42.27 1qk1 s LEU 188 CO 0.40 -0.58 -0.04 0.72 -1.32 0.00 0.00 176.35 175.53 1qk1 s PHE 189 N -2.63 0.45 0.27 5.38 -0.12 -1.26 -5.00 117.98 115.06 1qk1 s PHE 189 Ca 0.58 -0.73 0.01 0.00 -0.05 0.00 0.00 56.93 56.75 1qk1 s PHE 189 Cb -0.10 -0.31 -0.01 0.00 -0.63 0.00 0.00 43.02 41.98 1qk1 s PHE 189 CO 0.32 -0.23 0.05 -0.40 -0.05 0.00 0.00 175.22 174.92 1qk1 n ASP 190 N 0.98 1.78 -4.62 1.98 5.68 -1.26 -5.09 116.55 116.01 1qk1 n ASP 190 Ca -0.20 -2.31 -0.51 0.00 -0.50 0.00 0.00 54.79 51.27 1qk1 n ASP 190 Cb 0.57 0.46 -0.06 0.00 -1.14 0.00 0.00 41.12 40.96 1qk1 n ASP 190 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1qk1 n LYS 191 N -0.63 1.36 -1.78 0.11 4.81 -1.26 -4.86 118.16 115.91 1qk1 n LYS 191 Ca -0.07 0.49 -0.41 0.00 -0.87 0.00 0.00 58.31 57.45 1qk1 n LYS 191 Cb 0.37 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.26 1qk1 n LYS 191 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1qk1 s PRO 192 N 0.94 4.03 -0.03 1.64 0.02 -1.26 -4.91 135.00 135.42 1qk1 s PRO 192 Ca 0.85 2.57 0.06 0.00 0.02 0.00 0.00 61.00 64.50 1qk1 s PRO 192 Cb -0.91 -2.91 -0.08 0.00 0.02 0.00 0.00 34.50 30.62 1qk1 s PRO 192 CO 0.47 -0.60 0.09 1.33 -0.33 0.00 0.00 177.00 177.96 1qk1 n VAL 193 N 0.33 0.15 -1.67 3.83 0.24 -1.26 -4.85 118.33 115.10 1qk1 n VAL 193 Ca 0.02 -0.18 -0.47 0.00 -2.04 0.00 0.00 64.34 61.67 1qk1 n VAL 193 Cb 0.39 -0.10 -0.04 0.00 -1.47 0.00 0.00 33.84 32.62 1qk1 n VAL 193 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1qk1 n SER 194 N -1.90 3.26 0.24 -1.34 2.88 -1.26 -4.84 113.62 110.67 1qk1 n SER 194 Ca -0.04 1.02 0.17 0.00 -1.33 0.00 0.00 58.87 58.69 1qk1 n SER 194 Cb 0.36 -1.39 0.78 0.00 -0.75 0.00 0.00 64.21 63.21 1qk1 n SER 194 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1qk1 h PRO 195 N 7.67 0.00 0.00 -1.46 0.13 -1.99 -0.83 132.00 135.52 1qk1 h PRO 195 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 1qk1 h PRO 195 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1qk1 h PRO 195 CO 0.92 0.00 -0.33 -0.07 -0.23 0.00 0.00 178.00 178.29 1qk1 h LEU 196 N 0.00 0.00 0.09 1.56 3.38 -1.93 -2.21 115.31 116.19 1qk1 h LEU 196 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1qk1 h LEU 196 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1qk1 h LEU 196 CO 0.00 0.33 -1.76 0.18 0.09 0.00 0.00 178.44 177.27 1qk1 n LEU 197 N -4.04 2.39 0.03 1.67 4.32 -0.39 -3.89 117.00 117.08 1qk1 n LEU 197 Ca -0.02 0.28 -0.04 0.00 -0.02 0.00 0.00 56.01 56.22 1qk1 n LEU 197 Cb 0.38 -1.07 0.19 0.00 -1.62 0.00 0.00 43.42 41.30 1qk1 n LEU 197 CO 0.38 0.67 0.68 0.71 -1.22 0.00 0.00 177.39 178.61 1qk1 h THR 198 N -0.28 1.28 0.00 -5.08 1.35 -1.38 -2.11 112.91 106.69 1qk1 h THR 198 Ca -0.40 -1.39 -0.00 0.00 -0.55 0.00 0.00 66.41 64.07 1qk1 h THR 198 Cb 1.80 1.47 -0.00 0.00 -1.73 0.00 0.00 68.15 69.69 1qk1 h THR 198 CO -0.01 0.43 -0.02 0.00 -0.25 0.00 0.00 175.52 175.68 1qk1 h ALA 199 N 1.28 1.01 -0.40 6.62 0.00 -1.59 -1.65 119.26 124.54 1qk1 h ALA 199 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1qk1 h ALA 199 Cb 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1qk1 h ALA 199 CO 0.06 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1qk1 n ALA 200 N -2.10 2.44 -1.54 0.00 0.00 -0.83 -4.32 120.51 114.16 1qk1 n ALA 200 Ca 0.00 -0.74 -0.11 0.00 0.00 0.00 0.00 53.44 52.60 1qk1 n ALA 200 Cb 0.28 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 1qk1 n ALA 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qk1 n GLY 201 N 1.19 0.90 0.33 0.00 0.00 -0.62 -4.41 105.19 102.57 1qk1 n GLY 201 Ca 0.15 -0.51 0.06 0.00 0.00 0.00 0.00 46.02 45.73 1qk1 n GLY 201 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qk1 n MET 202 N -2.53 1.42 -0.00 1.61 2.00 -0.98 -3.66 117.12 114.98 1qk1 n MET 202 Ca -0.11 -0.64 0.00 0.00 0.00 0.00 0.00 57.70 56.95 1qk1 n MET 202 Cb 0.42 -1.25 0.00 0.00 0.00 0.00 0.00 33.22 32.39 1qk1 n MET 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1qk1 n ALA 203 N -0.06 2.05 -1.73 3.04 0.00 -1.26 -4.90 120.51 117.64 1qk1 n ALA 203 Ca 0.11 -0.96 -0.38 0.00 0.00 0.00 0.00 53.44 52.21 1qk1 n ALA 203 Cb 0.18 -0.01 0.05 0.00 0.00 0.00 0.00 19.45 19.67 1qk1 n ALA 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qk1 n ARG 204 N -0.44 1.58 -1.28 0.00 1.74 -1.24 -3.07 116.66 113.94 1qk1 n ARG 204 Ca 0.00 0.58 -0.11 0.00 -0.77 0.00 0.00 57.85 57.55 1qk1 n ARG 204 Cb 0.23 -2.53 -0.05 0.00 -1.02 0.00 0.00 32.46 29.09 1qk1 n ARG 204 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1qk1 n ASP 205 N -1.05 -5.16 -4.71 0.55 8.00 -1.26 -4.88 116.55 108.04 1qk1 n ASP 205 Ca 0.11 0.27 -0.43 0.00 0.71 0.00 0.00 54.79 55.46 1qk1 n ASP 205 Cb 0.45 -3.93 -0.01 0.00 -0.02 0.00 0.00 41.12 37.61 1qk1 n ASP 205 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1qk1 n TRP 206 N -2.07 2.41 -0.76 1.24 -0.00 -1.17 -0.76 117.44 116.32 1qk1 n TRP 206 Ca -0.11 0.47 0.02 0.00 -0.00 0.00 0.00 57.50 57.88 1qk1 n TRP 206 Cb 0.55 -2.47 0.34 0.00 -0.00 0.00 0.00 31.31 29.74 1qk1 n TRP 206 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 1qk1 n PRO 207 N 1.15 4.22 -1.66 5.87 -0.04 -1.26 -5.12 135.00 138.17 1qk1 n PRO 207 Ca 0.07 -2.84 -0.55 0.00 -0.04 0.00 0.00 63.50 60.13 1qk1 n PRO 207 Cb 0.35 -2.18 -0.07 0.00 -0.04 0.00 0.00 33.50 31.56 1qk1 n PRO 207 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1qk1 n ASP 208 N 0.35 2.03 -0.64 3.54 -0.08 0.06 -1.92 116.55 119.89 1qk1 n ASP 208 Ca 0.29 1.10 -0.08 0.00 -1.51 0.00 0.00 54.79 54.58 1qk1 n ASP 208 Cb 1.18 -1.16 -0.04 0.00 2.34 0.00 0.00 41.12 43.44 1qk1 n ASP 208 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qk1 n ALA 209 N 4.06 -0.13 -2.90 -1.67 0.00 -1.26 -4.97 120.51 113.64 1qk1 n ALA 209 Ca 0.23 0.14 -0.32 0.00 0.00 0.00 0.00 53.44 53.48 1qk1 n ALA 209 Cb 0.16 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.13 1qk1 n ALA 209 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1qk1 s ARG 210 N -2.48 3.45 0.33 0.00 1.81 -0.81 -4.64 118.95 116.61 1qk1 s ARG 210 Ca 0.00 -0.36 -0.18 0.00 -1.72 0.00 0.00 55.73 53.47 1qk1 s ARG 210 Cb 0.00 -3.06 0.03 0.00 -0.45 0.00 0.00 34.95 31.47 1qk1 s ARG 210 CO 0.00 0.64 0.74 0.20 -0.68 0.00 0.00 175.30 176.19 1qk1 s GLY 211 N -2.22 0.18 -0.02 -3.53 0.00 -1.01 -2.41 107.32 98.31 1qk1 s GLY 211 Ca 0.32 -0.56 0.03 0.00 0.00 0.00 0.00 44.72 44.50 1qk1 s GLY 211 CO 0.23 -0.23 -0.10 -0.42 0.00 0.00 0.00 173.10 172.58 1qk1 s ILE 212 N -3.18 0.83 -0.01 0.90 1.01 0.17 -1.09 121.20 119.83 1qk1 s ILE 212 Ca 0.14 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.40 1qk1 s ILE 212 Cb -0.05 -0.71 -0.00 0.00 0.01 0.00 0.00 42.46 41.70 1qk1 s ILE 212 CO 0.09 0.25 -0.06 0.86 0.00 0.00 0.00 174.94 176.08 1qk1 s TRP 213 N -0.01 0.62 0.02 3.97 -0.00 -0.55 0.11 118.94 123.10 1qk1 s TRP 213 Ca 0.00 -0.12 -0.10 0.00 -0.00 0.00 0.00 56.10 55.88 1qk1 s TRP 213 Cb -0.07 -0.42 0.01 0.00 -0.00 0.00 0.00 33.47 32.99 1qk1 s TRP 213 CO 0.00 -0.03 0.20 -3.38 -0.00 0.00 0.00 176.95 173.74 1qk1 s HIS 214 N -0.03 -0.00 0.84 5.86 -3.43 -1.03 -0.22 115.29 117.28 1qk1 s HIS 214 Ca 0.01 -0.11 -0.12 0.00 -0.80 0.00 0.00 55.06 54.04 1qk1 s HIS 214 Cb -0.04 -0.01 0.09 0.00 -1.43 0.00 0.00 32.58 31.20 1qk1 s HIS 214 CO -0.00 -0.37 1.11 0.54 -2.00 0.00 0.00 174.74 174.01 1qk1 s ASN 215 N -1.68 4.12 0.25 7.38 4.22 -0.85 -1.89 114.94 126.49 1qk1 s ASN 215 Ca -0.10 1.24 -0.06 0.00 -2.14 0.00 0.00 52.86 51.81 1qk1 s ASN 215 Cb -0.04 -1.94 0.28 0.00 1.28 0.00 0.00 41.25 40.83 1qk1 s ASN 215 CO -0.00 -2.20 1.93 0.78 -2.04 0.00 0.00 177.10 175.57 1qk1 h ASN 216 N -1.25 1.14 0.00 3.54 2.35 -1.38 -1.97 115.58 118.02 1qk1 h ASN 216 Ca -0.48 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.24 1qk1 h ASN 216 Cb 1.29 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.37 1qk1 h ASN 216 CO 0.59 0.82 0.00 -1.84 -1.65 0.00 0.00 177.43 175.36 1qk1 n GLU 217 N -4.39 0.99 -3.64 0.81 0.28 -1.26 -4.91 120.64 108.52 1qk1 n GLU 217 Ca 0.12 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.89 1qk1 n GLU 217 Cb 0.02 -1.21 0.06 0.00 1.43 0.00 0.00 31.44 31.74 1qk1 n GLU 217 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1qk1 n LYS 218 N -0.71 -6.46 0.00 3.44 5.02 -0.74 -4.91 118.16 113.81 1qk1 n LYS 218 Ca 0.10 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 1qk1 n LYS 218 Cb 0.04 -5.65 0.00 0.00 -0.02 0.00 0.00 35.03 29.41 1qk1 n LYS 218 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1qk1 n SER 219 N -3.02 0.74 -3.72 4.39 3.41 -1.26 -4.93 113.62 109.23 1qk1 n SER 219 Ca -0.13 -0.93 -0.22 0.00 -0.26 0.00 0.00 58.87 57.32 1qk1 n SER 219 Cb 0.61 0.10 -0.18 0.00 -0.26 0.00 0.00 64.21 64.48 1qk1 n SER 219 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1qk1 s PHE 220 N -0.10 0.45 -0.03 7.33 5.36 -1.26 -1.97 117.98 127.76 1qk1 s PHE 220 Ca 0.00 -0.08 0.07 0.00 -0.96 0.00 0.00 56.93 55.96 1qk1 s PHE 220 Cb 0.00 -0.70 -0.02 0.00 -0.34 0.00 0.00 43.02 41.97 1qk1 s PHE 220 CO 0.00 -0.31 -0.24 -1.17 -1.46 0.00 0.00 175.22 172.03 1qk1 s LEU 221 N 2.04 2.05 -0.07 6.12 0.20 0.57 -2.00 118.68 127.59 1qk1 s LEU 221 Ca 0.04 -0.46 0.00 0.00 0.69 0.00 0.00 54.13 54.41 1qk1 s LEU 221 Cb -0.13 -1.28 0.02 0.00 -0.43 0.00 0.00 46.19 44.37 1qk1 s LEU 221 CO -0.05 0.27 -0.05 -0.63 -0.29 0.00 0.00 176.35 175.60 1qk1 s ILE 222 N -0.40 0.70 -0.20 6.68 1.01 0.69 -0.26 121.20 129.42 1qk1 s ILE 222 Ca 0.04 -0.15 -0.08 0.00 0.00 0.00 0.00 60.65 60.46 1qk1 s ILE 222 Cb -0.11 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 1qk1 s ILE 222 CO 0.01 0.29 0.09 0.26 0.00 0.00 0.00 174.94 175.59 1qk1 s TRP 223 N 1.36 3.27 -0.21 3.97 0.51 -0.01 -1.49 118.94 126.34 1qk1 s TRP 223 Ca -0.03 0.10 -0.07 0.00 -2.12 0.00 0.00 56.10 53.97 1qk1 s TRP 223 Cb -0.14 -2.15 -0.03 0.00 -0.81 0.00 0.00 33.47 30.34 1qk1 s TRP 223 CO -0.03 0.11 0.06 0.08 -0.51 0.00 0.00 176.95 176.66 1qk1 s VAL 224 N 0.63 4.51 -1.50 4.03 1.01 -0.25 -1.43 120.40 127.40 1qk1 s VAL 224 Ca 0.05 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 1qk1 s VAL 224 Cb -0.13 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.19 1qk1 s VAL 224 CO 0.01 0.40 0.74 0.59 0.00 0.00 0.00 175.10 176.84 1qk1 n ASN 225 N 4.22 -6.16 0.00 3.32 3.02 0.80 -2.41 115.26 118.05 1qk1 n ASN 225 Ca -0.16 -0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 1qk1 n ASN 225 Cb 0.52 -4.93 0.00 0.00 -0.61 0.00 0.00 39.78 34.76 1qk1 n ASN 225 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1qk1 n GLU 226 N -4.22 0.00 -0.61 3.52 2.13 -1.26 -4.80 120.64 115.41 1qk1 n GLU 226 Ca -0.08 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.83 1qk1 n GLU 226 Cb 0.61 0.00 0.36 0.00 0.27 0.00 0.00 31.44 32.68 1qk1 n GLU 226 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1qk1 n GLU 227 N 0.00 3.69 -3.79 5.31 0.28 -1.26 -4.93 120.64 119.94 1qk1 n GLU 227 Ca 0.00 -2.90 -0.04 0.00 -0.16 0.00 0.00 57.16 54.06 1qk1 n GLU 227 Cb 0.00 -1.88 -0.01 0.00 1.43 0.00 0.00 31.44 30.98 1qk1 n GLU 227 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1qk1 s ASP 228 N -0.91 -0.16 0.14 -1.84 1.01 -1.26 -4.70 116.67 108.95 1qk1 s ASP 228 Ca 0.52 -0.50 -0.18 0.00 0.71 0.00 0.00 52.55 53.10 1qk1 s ASP 228 Cb 0.33 0.54 0.00 0.00 1.01 0.00 0.00 42.92 44.80 1qk1 s ASP 228 CO 0.26 -1.01 1.73 0.45 0.21 0.00 0.00 175.17 176.82 1qk1 h HIS 229 N 2.00 0.07 -3.63 4.23 3.86 -1.92 -3.12 115.15 116.65 1qk1 h HIS 229 Ca -0.24 0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 58.79 1qk1 h HIS 229 Cb 1.23 0.01 -0.25 0.00 1.06 0.00 0.00 27.41 29.46 1qk1 h HIS 229 CO 0.54 0.01 -0.62 0.95 0.86 0.00 0.00 177.93 179.67 1qk1 s THR 230 N -6.18 0.04 -0.17 2.45 -4.23 -1.02 -0.14 115.64 106.39 1qk1 s THR 230 Ca -0.13 -0.30 0.01 0.00 -1.18 0.00 0.00 61.69 60.09 1qk1 s THR 230 Cb 0.11 -0.20 0.02 0.00 1.34 0.00 0.00 72.50 73.77 1qk1 s THR 230 CO 0.69 -0.16 -0.19 -0.13 -0.54 0.00 0.00 174.62 174.29 1qk1 s ARG 231 N -0.50 2.89 -0.19 3.99 1.81 -0.52 -1.97 118.95 124.46 1qk1 s ARG 231 Ca -0.06 -0.79 -0.06 0.00 -1.72 0.00 0.00 55.73 53.10 1qk1 s ARG 231 Cb -0.04 -2.48 -0.03 0.00 -0.45 0.00 0.00 34.95 31.95 1qk1 s ARG 231 CO 0.00 -0.19 0.02 0.08 -0.68 0.00 0.00 175.30 174.54 1qk1 s VAL 232 N 1.25 4.31 -0.04 3.52 1.01 0.53 -0.83 120.40 130.14 1qk1 s VAL 232 Ca 0.03 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1qk1 s VAL 232 Cb -0.13 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.32 1qk1 s VAL 232 CO -0.11 0.44 -0.08 -0.63 0.00 0.00 0.00 175.10 174.72 1qk1 s ILE 233 N 0.68 0.77 -0.15 2.22 1.01 0.65 -1.23 121.20 125.15 1qk1 s ILE 233 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.36 1qk1 s ILE 233 Cb -0.14 -0.72 -0.00 0.00 0.01 0.00 0.00 42.46 41.60 1qk1 s ILE 233 CO 0.02 0.26 -0.15 -0.55 0.00 0.00 0.00 174.94 174.52 1qk1 s SER 234 N 0.55 3.73 0.07 3.58 0.15 -0.25 -0.32 113.70 121.21 1qk1 s SER 234 Ca -0.09 -0.44 -0.05 0.00 0.70 0.00 0.00 55.95 56.06 1qk1 s SER 234 Cb -0.12 -1.57 -0.02 0.00 -1.71 0.00 0.00 66.02 62.59 1qk1 s SER 234 CO 0.01 0.10 0.09 0.00 1.20 0.00 0.00 173.24 174.64 1qk1 s MET 235 N 0.74 0.73 -0.05 5.44 0.00 -0.83 -0.84 119.30 124.48 1qk1 s MET 235 Ca -0.06 -1.06 -0.30 0.00 0.00 0.00 0.00 55.69 54.26 1qk1 s MET 235 Cb -0.15 0.28 0.08 0.00 0.00 0.00 0.00 34.83 35.04 1qk1 s MET 235 CO 0.01 -0.19 0.74 -1.21 0.00 0.00 0.00 175.02 174.37 1qk1 s GLU 236 N -3.82 0.98 0.41 3.16 2.02 -0.80 -4.58 118.70 116.08 1qk1 s GLU 236 Ca 0.05 0.16 -0.20 0.00 0.02 0.00 0.00 54.97 55.00 1qk1 s GLU 236 Cb 0.06 0.46 -0.11 0.00 0.10 0.00 0.00 34.13 34.64 1qk1 s GLU 236 CO -0.10 -0.32 0.92 0.15 0.02 0.00 0.00 175.26 175.93 1qk1 s LYS 237 N -1.45 4.21 0.00 1.61 1.02 -1.26 -1.39 119.74 122.49 1qk1 s LYS 237 Ca -0.08 1.07 0.00 0.00 0.02 0.00 0.00 55.97 56.98 1qk1 s LYS 237 Cb -0.00 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 1qk1 s LYS 237 CO 0.06 -0.00 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 1qk1 n GLY 238 N -0.58 -1.55 0.90 -3.33 0.00 0.13 -4.74 105.19 96.02 1qk1 n GLY 238 Ca 0.06 -2.06 0.05 0.00 0.00 0.00 0.00 46.02 44.07 1qk1 n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qk1 n GLY 239 N 0.00 3.19 2.71 -0.02 0.00 -1.26 -2.90 105.19 106.91 1qk1 n GLY 239 Ca 0.00 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 1qk1 n GLY 239 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qk1 n ASN 240 N -0.44 5.68 -0.30 1.61 4.05 -1.26 -0.28 115.26 124.33 1qk1 n ASN 240 Ca 0.12 -3.00 0.12 0.00 0.45 0.00 0.00 54.58 52.27 1qk1 n ASN 240 Cb 0.87 -1.51 0.36 0.00 1.23 0.00 0.00 39.78 40.73 1qk1 n ASN 240 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 177.26 174.18 1qk1 h MET 241 N 5.52 0.71 -0.49 1.20 1.85 -1.58 -1.72 114.93 120.42 1qk1 h MET 241 Ca 0.54 -0.04 0.02 0.00 -0.61 0.00 0.00 59.70 59.60 1qk1 h MET 241 Cb 0.54 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 32.38 1qk1 h MET 241 CO 1.68 0.47 0.31 -0.22 -0.40 0.00 0.00 176.91 178.74 1qk1 h LYS 242 N 0.73 0.60 -0.42 0.39 3.64 -1.55 0.40 116.57 120.36 1qk1 h LYS 242 Ca 0.49 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.71 1qk1 h LYS 242 Cb 0.77 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1qk1 h LYS 242 CO -0.25 0.39 -0.24 -0.09 -2.27 0.00 0.00 179.45 177.00 1qk1 h ARG 243 N 0.61 0.85 -0.70 1.90 2.43 -1.61 -1.43 114.38 116.43 1qk1 h ARG 243 Ca 0.19 -0.36 0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1qk1 h ARG 243 Cb -0.01 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 1qk1 h ARG 243 CO -0.07 1.00 0.46 0.28 -1.51 0.00 0.00 179.97 180.12 1qk1 h VAL 244 N 0.74 1.16 -0.01 0.20 2.07 -0.87 -1.64 116.25 117.89 1qk1 h VAL 244 Ca 0.10 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 67.17 1qk1 h VAL 244 Cb 0.77 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1qk1 h VAL 244 CO 0.06 0.17 -0.61 0.15 0.02 0.00 0.00 177.57 177.36 1qk1 h PHE 245 N 0.92 0.04 -0.38 1.57 3.57 -0.74 -1.74 116.94 120.18 1qk1 h PHE 245 Ca 0.26 -0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.61 1qk1 h PHE 245 Cb -0.07 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1qk1 h PHE 245 CO -0.03 0.63 -0.29 0.93 -2.23 0.00 0.00 178.31 177.32 1qk1 h GLU 246 N 0.02 0.88 -0.67 1.11 5.08 -0.77 -1.19 114.58 119.05 1qk1 h GLU 246 Ca -0.01 -0.43 -0.08 0.00 -1.00 0.00 0.00 59.36 57.84 1qk1 h GLU 246 Cb 1.09 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 1qk1 h GLU 246 CO 0.08 1.08 0.09 -0.09 -1.00 0.00 0.00 179.01 179.17 1qk1 h ARG 247 N 0.69 1.11 0.23 2.33 2.43 -1.25 -0.55 114.38 119.38 1qk1 h ARG 247 Ca 0.07 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1qk1 h ARG 247 Cb 0.88 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 1qk1 h ARG 247 CO 0.08 1.03 -0.23 0.35 -1.51 0.00 0.00 179.97 179.68 1qk1 h PHE 248 N 1.04 -0.61 -0.64 2.20 3.57 -1.10 0.86 116.94 122.25 1qk1 h PHE 248 Ca 0.20 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 1qk1 h PHE 248 Cb 0.46 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 1qk1 h PHE 248 CO 0.03 -0.34 0.15 0.00 -2.23 0.00 0.00 178.31 175.93 1qk1 h ARG 250 N 0.97 0.31 -0.70 0.00 2.43 -0.86 -2.28 114.38 114.24 1qk1 h ARG 250 Ca 0.21 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1qk1 h ARG 250 Cb 0.34 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1qk1 h ARG 250 CO 0.00 0.53 0.38 0.78 -1.51 0.00 0.00 179.97 180.15 1qk1 h GLY 251 N 0.05 1.05 1.04 2.80 0.00 -0.76 -1.97 103.07 105.28 1qk1 h GLY 251 Ca 0.05 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 1qk1 h GLY 251 CO 0.01 0.46 0.26 1.41 0.00 0.00 0.00 176.54 178.68 1qk1 h LEU 252 N 0.96 1.05 -0.80 3.11 3.38 -1.34 -0.52 115.31 121.16 1qk1 h LEU 252 Ca 0.25 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 1qk1 h LEU 252 Cb 0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1qk1 h LEU 252 CO -0.04 0.96 -0.38 0.11 0.09 0.00 0.00 178.44 179.18 1qk1 h LYS 253 N 1.08 0.45 -0.25 1.13 1.57 -1.21 -1.26 116.57 118.08 1qk1 h LYS 253 Ca 0.24 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 1qk1 h LYS 253 Cb 0.26 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1qk1 h LYS 253 CO -0.01 0.76 -0.22 1.49 -0.57 0.00 0.00 179.45 180.90 1qk1 h GLU 254 N 0.38 0.59 -0.62 3.15 4.57 -1.12 -1.21 114.58 120.33 1qk1 h GLU 254 Ca 0.04 -0.30 -0.05 0.00 -1.18 0.00 0.00 59.36 57.86 1qk1 h GLU 254 Cb 0.84 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.41 1qk1 h GLU 254 CO 0.07 0.89 0.18 0.28 -1.18 0.00 0.00 179.01 179.25 1qk1 h VAL 255 N 0.30 1.25 -0.68 0.32 2.07 -0.99 -1.67 116.25 116.85 1qk1 h VAL 255 Ca 0.04 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 66.63 1qk1 h VAL 255 Cb 0.77 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1qk1 h VAL 255 CO 0.06 0.32 0.12 -0.08 0.02 0.00 0.00 177.57 178.01 1qk1 h GLU 256 N 0.89 1.11 -0.24 1.57 4.81 -1.14 -2.02 114.58 119.56 1qk1 h GLU 256 Ca 0.20 -0.29 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1qk1 h GLU 256 Cb 0.31 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1qk1 h GLU 256 CO -0.00 1.01 0.10 -0.09 -0.73 0.00 0.00 179.01 179.29 1qk1 h ARG 257 N 1.04 0.21 -0.40 1.92 2.43 -0.93 -2.10 114.38 116.56 1qk1 h ARG 257 Ca 0.21 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 1qk1 h ARG 257 Cb 0.43 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1qk1 h ARG 257 CO 0.01 0.14 0.07 -0.07 -1.51 0.00 0.00 179.97 178.61 1qk1 h LEU 258 N 0.21 0.56 0.00 3.80 3.38 -1.01 -2.44 115.31 119.80 1qk1 h LEU 258 Ca 0.10 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1qk1 h LEU 258 Cb 0.05 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1qk1 h LEU 258 CO -0.09 0.58 -0.55 0.16 0.09 0.00 0.00 178.44 178.63 1qk1 h ILE 259 N 0.58 0.84 0.00 1.22 3.07 -1.16 -3.13 117.51 118.92 1qk1 h ILE 259 Ca 0.13 -2.20 -0.04 0.00 1.55 0.00 0.00 64.86 64.30 1qk1 h ILE 259 Cb 0.27 2.40 -0.01 0.00 -0.27 0.00 0.00 36.82 39.21 1qk1 h ILE 259 CO 0.00 0.48 -0.20 1.56 -1.05 0.00 0.00 178.15 178.94 1qk1 h GLN 260 N 0.00 0.00 0.00 0.16 4.20 -1.10 -0.84 115.11 117.53 1qk1 h GLN 260 Ca -0.01 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 1qk1 h GLN 260 Cb 1.39 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.16 1qk1 h GLN 260 CO 0.06 0.20 -0.33 1.49 -0.67 0.00 0.00 178.83 179.58 1qk1 h GLU 261 N 0.00 0.00 -0.71 1.46 4.81 -1.39 -2.07 114.58 116.68 1qk1 h GLU 261 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1qk1 h GLU 261 Cb 0.78 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1qk1 h GLU 261 CO 0.03 0.33 0.00 0.54 -0.73 0.00 0.00 179.01 179.18 1qk1 n ARG 262 N -4.04 3.18 -0.41 1.92 5.12 -0.89 -4.96 116.66 116.58 1qk1 n ARG 262 Ca -0.02 -2.78 0.00 0.00 -1.93 0.00 0.00 57.85 53.13 1qk1 n ARG 262 Cb 0.38 -1.72 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 1qk1 n ARG 262 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qk1 n GLY 263 N 1.47 0.75 3.88 -0.13 0.00 -0.78 -5.08 105.19 105.30 1qk1 n GLY 263 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 1qk1 n GLY 263 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1qk1 s TRP 264 N -2.40 3.27 0.20 1.61 0.52 -0.37 -4.97 118.94 116.79 1qk1 s TRP 264 Ca 0.00 -0.04 0.02 0.00 0.02 0.00 0.00 56.10 56.10 1qk1 s TRP 264 Cb 0.00 -1.51 -0.05 0.00 -1.15 0.00 0.00 33.47 30.77 1qk1 s TRP 264 CO 0.00 0.50 0.02 -1.21 0.02 0.00 0.00 176.95 176.27 1qk1 s GLU 265 N -3.68 1.20 0.30 4.98 2.02 -1.26 -3.24 118.70 119.01 1qk1 s GLU 265 Ca 0.33 -1.60 -0.10 0.00 0.02 0.00 0.00 54.97 53.62 1qk1 s GLU 265 Cb -0.09 -0.32 -0.07 0.00 0.10 0.00 0.00 34.13 33.75 1qk1 s GLU 265 CO 0.26 -0.15 0.64 -0.06 0.02 0.00 0.00 175.26 175.97 1qk1 s PHE 266 N -3.64 3.43 -0.15 1.61 0.08 -1.26 -0.80 117.98 117.26 1qk1 s PHE 266 Ca 0.27 0.95 -0.29 0.00 0.12 0.00 0.00 56.93 57.98 1qk1 s PHE 266 Cb 0.06 -2.34 -0.01 0.00 -0.57 0.00 0.00 43.02 40.16 1qk1 s PHE 266 CO 0.06 0.13 1.18 -1.64 -0.10 0.00 0.00 175.22 174.86 1qk1 s MET 267 N -3.18 4.28 -0.12 0.44 -1.94 0.50 -4.60 119.30 114.68 1qk1 s MET 267 Ca 0.49 1.58 -0.26 0.00 -1.71 0.00 0.00 55.69 55.79 1qk1 s MET 267 Cb -0.11 -3.67 0.06 0.00 2.01 0.00 0.00 34.83 33.12 1qk1 s MET 267 CO 0.24 -0.60 0.63 -0.46 -0.01 0.00 0.00 175.02 174.82 1qk1 s TRP 268 N 3.00 -0.62 0.08 -0.03 -0.00 -1.26 -2.17 118.94 117.95 1qk1 s TRP 268 Ca 0.52 1.26 -0.14 0.00 -0.00 0.00 0.00 56.10 57.74 1qk1 s TRP 268 Cb -0.21 0.31 0.02 0.00 -0.00 0.00 0.00 33.47 33.60 1qk1 s TRP 268 CO 0.15 -0.48 0.33 0.54 -0.00 0.00 0.00 176.95 177.48 1qk1 s ASN 269 N -0.63 -0.13 0.46 5.86 2.20 -0.96 -5.00 114.94 116.73 1qk1 s ASN 269 Ca -0.07 -0.32 0.31 0.00 -0.94 0.00 0.00 52.86 51.84 1qk1 s ASN 269 Cb -0.02 0.41 1.40 0.00 -2.00 0.00 0.00 41.25 41.03 1qk1 s ASN 269 CO 0.06 -0.74 1.93 1.05 -2.94 0.00 0.00 177.10 176.46 1qk1 h GLU 270 N 2.76 0.00 0.00 3.55 4.11 -1.89 0.16 114.58 123.28 1qk1 h GLU 270 Ca -0.33 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.00 1qk1 h GLU 270 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1qk1 h GLU 270 CO 0.48 0.00 -1.68 2.89 0.07 0.00 0.00 179.01 180.77 1qk1 n ARG 271 N -2.75 0.64 0.00 1.06 1.85 -1.26 -0.83 116.66 115.37 1qk1 n ARG 271 Ca 0.00 0.01 0.01 0.00 -1.00 0.00 0.00 57.85 56.88 1qk1 n ARG 271 Cb 0.22 -1.66 0.00 0.00 -1.05 0.00 0.00 32.46 29.97 1qk1 n ARG 271 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1qk1 n LEU 272 N -2.59 0.86 0.00 2.89 4.77 -1.17 -4.31 117.00 117.45 1qk1 n LEU 272 Ca -0.09 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 1qk1 n LEU 272 Cb 0.73 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1qk1 n LEU 272 CO 0.43 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1qk1 n GLY 273 N 0.40 1.33 3.74 -0.72 0.00 0.56 -0.28 105.19 110.22 1qk1 n GLY 273 Ca 0.01 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 1qk1 n GLY 273 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qk1 s TYR 274 N 0.00 3.41 -0.17 1.61 2.02 -0.34 -2.26 117.35 121.62 1qk1 s TYR 274 Ca 0.00 1.41 -0.16 0.00 -0.37 0.00 0.00 57.07 57.94 1qk1 s TYR 274 Cb 0.00 -3.45 -0.04 0.00 -0.40 0.00 0.00 41.96 38.07 1qk1 s TYR 274 CO 0.00 -1.27 0.40 0.42 -1.57 0.00 0.00 175.55 173.53 1qk1 s ILE 275 N -0.05 5.22 0.28 2.71 1.01 -0.92 -3.26 121.20 126.18 1qk1 s ILE 275 Ca 0.53 0.75 0.02 0.00 0.00 0.00 0.00 60.65 61.95 1qk1 s ILE 275 Cb -0.33 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 1qk1 s ILE 275 CO 0.37 0.30 0.10 -0.76 0.00 0.00 0.00 174.94 174.95 1qk1 s LEU 276 N 0.92 1.73 0.29 2.97 1.43 -1.26 -4.11 118.68 120.65 1qk1 s LEU 276 Ca 0.21 -1.40 0.06 0.00 -1.03 0.00 0.00 54.13 51.96 1qk1 s LEU 276 Cb -0.14 -0.03 0.42 0.00 0.03 0.00 0.00 46.19 46.46 1qk1 s LEU 276 CO 0.08 -0.73 1.68 0.00 0.23 0.00 0.00 176.35 177.61 1qk1 h THR 277 N 2.31 1.32 -3.41 5.49 1.03 -1.87 -3.42 112.91 114.36 1qk1 h THR 277 Ca -0.38 -1.56 -0.61 0.00 -0.01 0.00 0.00 66.41 63.84 1qk1 h THR 277 Cb 1.25 1.70 -0.15 0.00 -1.07 0.00 0.00 68.15 69.88 1qk1 h THR 277 CO 0.62 0.47 -0.53 0.00 -0.01 0.00 0.00 175.52 176.07 1qk1 h PRO 279 N 7.06 0.00 0.00 0.00 0.11 -1.81 -0.43 132.00 136.93 1qk1 h PRO 279 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1qk1 h PRO 279 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1qk1 h PRO 279 CO 0.69 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.14 1qk1 h SER 280 N 0.00 0.00 -0.65 -2.05 4.64 -1.94 -3.09 113.55 110.45 1qk1 h SER 280 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1qk1 h SER 280 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1qk1 h SER 280 CO -0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 1qk1 n ASN 281 N -2.96 4.69 -4.20 4.97 3.02 -0.17 -4.92 115.26 115.69 1qk1 n ASN 281 Ca 0.01 -2.42 -0.29 0.00 -0.03 0.00 0.00 54.58 51.85 1qk1 n ASN 281 Cb 0.30 -0.57 0.24 0.00 -0.61 0.00 0.00 39.78 39.14 1qk1 n ASN 281 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qk1 s LEU 282 N -1.78 0.55 0.00 3.41 1.02 -1.17 -2.56 118.68 118.14 1qk1 s LEU 282 Ca 0.51 1.11 0.00 0.00 0.02 0.00 0.00 54.13 55.77 1qk1 s LEU 282 Cb 0.32 -2.94 0.00 0.00 0.02 0.00 0.00 46.19 43.59 1qk1 s LEU 282 CO 0.25 -4.19 0.00 0.61 0.02 0.00 0.00 176.35 173.04 1qk1 n GLY 283 N 0.10 2.02 0.01 -3.19 0.00 0.62 -2.73 105.19 102.01 1qk1 n GLY 283 Ca 0.07 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.14 1qk1 n GLY 283 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qk1 n THR 284 N 0.00 0.07 -1.92 2.61 -2.24 -0.88 -1.20 114.28 110.72 1qk1 n THR 284 Ca 0.00 -0.28 -0.14 0.00 -2.27 0.00 0.00 64.05 61.36 1qk1 n THR 284 Cb 0.00 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 1qk1 n THR 284 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qk1 n GLY 285 N 1.89 0.44 3.77 3.38 0.00 -1.06 -4.62 105.19 108.98 1qk1 n GLY 285 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1qk1 n GLY 285 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qk1 s LEU 286 N -4.78 4.34 -0.32 0.99 0.20 -1.26 -4.06 118.68 113.79 1qk1 s LEU 286 Ca 0.00 0.78 0.01 0.00 0.69 0.00 0.00 54.13 55.61 1qk1 s LEU 286 Cb 0.00 -2.56 0.10 0.00 -0.43 0.00 0.00 46.19 43.30 1qk1 s LEU 286 CO 0.00 0.16 0.08 -0.13 -0.29 0.00 0.00 176.35 176.16 1qk1 s ARG 287 N -0.09 1.03 -0.22 1.98 1.81 -0.36 -4.85 118.95 118.25 1qk1 s ARG 287 Ca 0.22 -1.39 -0.09 0.00 -1.72 0.00 0.00 55.73 52.75 1qk1 s ARG 287 Cb -0.15 -2.49 -0.04 0.00 -0.45 0.00 0.00 34.95 31.82 1qk1 s ARG 287 CO 0.10 -0.96 0.11 0.00 -0.68 0.00 0.00 175.30 173.86 1qk1 s ALA 288 N 1.33 3.44 0.35 2.13 0.00 -1.26 -1.51 121.76 126.24 1qk1 s ALA 288 Ca 0.10 -0.89 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 1qk1 s ALA 288 Cb -0.18 -2.13 0.03 0.00 0.00 0.00 0.00 23.12 20.84 1qk1 s ALA 288 CO -0.18 -0.12 0.65 0.20 0.00 0.00 0.00 175.76 176.31 1qk1 s GLY 289 N 0.92 0.75 0.09 0.00 0.00 -0.11 -2.59 107.32 106.39 1qk1 s GLY 289 Ca 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1qk1 s GLY 289 CO 0.03 -0.56 -0.02 -1.34 0.00 0.00 0.00 173.10 171.21 1qk1 s VAL 290 N -2.79 0.37 -0.31 1.40 -7.23 -0.25 -1.26 120.40 110.33 1qk1 s VAL 290 Ca 0.21 -1.88 -0.09 0.00 -1.81 0.00 0.00 61.98 58.41 1qk1 s VAL 290 Cb -0.03 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.17 1qk1 s VAL 290 CO 0.14 -0.80 0.14 -1.00 -0.31 0.00 0.00 175.10 173.27 1qk1 s HIS 291 N -3.84 3.18 -0.02 2.82 3.76 -0.63 -1.64 115.29 118.91 1qk1 s HIS 291 Ca 0.14 -0.74 0.05 0.00 -0.15 0.00 0.00 55.06 54.36 1qk1 s HIS 291 Cb 0.07 -2.33 -0.01 0.00 1.11 0.00 0.00 32.58 31.41 1qk1 s HIS 291 CO -0.05 -0.51 -0.18 -1.50 -0.85 0.00 0.00 174.74 171.65 1qk1 s ILE 292 N 1.57 1.44 -0.39 0.60 2.07 -0.15 -0.01 121.20 126.33 1qk1 s ILE 292 Ca 0.04 -0.77 -0.20 0.00 -1.41 0.00 0.00 60.65 58.31 1qk1 s ILE 292 Cb -0.17 -1.21 0.01 0.00 0.13 0.00 0.00 42.46 41.22 1qk1 s ILE 292 CO 0.05 0.41 0.62 -0.54 -1.91 0.00 0.00 174.94 173.57 1qk1 s LYS 293 N -0.34 3.48 -0.41 3.50 1.02 0.16 -1.00 119.74 126.15 1qk1 s LYS 293 Ca 0.05 -0.18 0.08 0.00 0.02 0.00 0.00 55.97 55.94 1qk1 s LYS 293 Cb -0.08 -3.87 0.25 0.00 -0.52 0.00 0.00 37.83 33.61 1qk1 s LYS 293 CO -0.00 -0.85 0.55 1.28 -0.92 0.00 0.00 175.35 175.41 1qk1 n LEU 294 N 6.09 0.55 -0.17 3.17 4.77 0.17 -4.77 117.00 126.82 1qk1 n LEU 294 Ca -0.02 -4.78 -0.10 0.00 -0.03 0.00 0.00 56.01 51.08 1qk1 n LEU 294 Cb 0.48 0.51 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 1qk1 n LEU 294 CO 0.50 2.08 0.79 1.55 -1.33 0.00 0.00 177.39 180.98 1qk1 h PRO 295 N 3.98 0.86 -0.08 3.23 0.13 -1.89 -1.89 132.00 136.35 1qk1 h PRO 295 Ca 0.08 -0.29 -0.09 0.00 -0.87 0.00 0.00 66.00 64.83 1qk1 h PRO 295 Cb 0.86 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1qk1 h PRO 295 CO 0.50 0.92 -0.32 -0.07 -0.23 0.00 0.00 178.00 178.80 1qk1 h LEU 296 N 0.72 0.42 -0.46 1.56 3.38 -1.94 -3.25 115.31 115.75 1qk1 h LEU 296 Ca 0.13 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1qk1 h LEU 296 Cb 0.54 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1qk1 h LEU 296 CO 0.03 0.98 0.00 0.25 0.09 0.00 0.00 178.44 179.79 1qk1 h LEU 297 N -0.11 0.00 -0.13 1.67 5.85 -1.90 -2.72 115.31 117.97 1qk1 h LEU 297 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1qk1 h LEU 297 Cb 0.96 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1qk1 h LEU 297 CO 0.07 0.00 0.00 -1.54 -0.34 0.00 0.00 178.44 176.63 1qk1 n SER 298 N -2.43 0.20 -0.04 1.25 3.41 -0.71 -3.21 113.62 112.09 1qk1 n SER 298 Ca 0.03 -1.19 -0.02 0.00 -0.26 0.00 0.00 58.87 57.43 1qk1 n SER 298 Cb 0.34 -0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.20 1qk1 n SER 298 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1qk1 n LYS 299 N -0.78 1.57 -1.94 4.33 4.76 -1.03 -5.01 118.16 120.07 1qk1 n LYS 299 Ca 0.20 -0.04 -0.40 0.00 -2.87 0.00 0.00 58.31 55.20 1qk1 n LYS 299 Cb 0.13 -1.29 -0.00 0.00 -1.84 0.00 0.00 35.03 32.03 1qk1 n LYS 299 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1qk1 s ASP 300 N -4.05 6.35 0.33 4.39 -1.08 -1.20 -4.92 116.67 116.49 1qk1 s ASP 300 Ca -0.05 2.85 0.08 0.00 -0.52 0.00 0.00 52.55 54.91 1qk1 s ASP 300 Cb 0.05 -2.65 0.58 0.00 -1.46 0.00 0.00 42.92 39.43 1qk1 s ASP 300 CO 0.47 -0.84 1.78 0.77 0.52 0.00 0.00 175.17 177.87 1qk1 h SER 301 N 2.89 0.23 0.44 -0.34 4.64 -1.95 -3.11 113.55 116.36 1qk1 h SER 301 Ca -0.50 -0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 60.66 1qk1 h SER 301 Cb 1.24 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1qk1 h SER 301 CO 0.63 0.54 -0.41 0.03 -0.87 0.00 0.00 176.83 176.75 1qk1 h ARG 302 N 0.20 0.00 -0.57 4.77 3.08 -1.93 -3.36 114.38 116.57 1qk1 h ARG 302 Ca 0.03 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.14 1qk1 h ARG 302 Cb 0.66 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.63 1qk1 h ARG 302 CO 0.05 0.41 -0.30 0.34 -1.07 0.00 0.00 179.97 179.40 1qk1 n PHE 303 N -4.00 -0.16 -0.21 3.04 7.35 -1.18 -0.28 117.46 122.03 1qk1 n PHE 303 Ca -0.02 0.71 0.01 0.00 -0.76 0.00 0.00 57.45 57.40 1qk1 n PHE 303 Cb 0.45 -0.61 0.12 0.00 0.35 0.00 0.00 39.48 39.79 1qk1 n PHE 303 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1qk1 h PRO 304 N 0.00 0.31 -0.41 -7.13 0.11 -1.83 -1.10 132.00 121.95 1qk1 h PRO 304 Ca 0.13 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.17 1qk1 h PRO 304 Cb 0.27 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 1qk1 h PRO 304 CO -0.55 0.21 0.03 -0.22 -0.21 0.00 0.00 178.00 177.25 1qk1 h LYS 305 N 0.32 0.64 -0.57 1.05 1.63 -0.91 -1.96 116.57 116.78 1qk1 h LYS 305 Ca 0.33 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.97 1qk1 h LYS 305 Cb 0.48 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.99 1qk1 h LYS 305 CO -0.38 0.64 0.28 0.82 -3.45 0.00 0.00 179.45 177.37 1qk1 h ILE 306 N 0.61 1.20 0.10 2.00 2.04 -0.49 -1.39 117.51 121.59 1qk1 h ILE 306 Ca 0.13 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1qk1 h ILE 306 Cb 0.35 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1qk1 h ILE 306 CO 0.01 0.23 -0.07 -0.07 0.00 0.00 0.00 178.15 178.25 1qk1 h LEU 307 N 0.77 -0.18 -0.48 1.44 4.07 -0.89 -2.01 115.31 118.04 1qk1 h LEU 307 Ca 0.20 0.01 0.08 0.00 0.08 0.00 0.00 57.88 58.25 1qk1 h LEU 307 Cb 0.10 0.06 -0.06 0.00 1.08 0.00 0.00 40.66 41.84 1qk1 h LEU 307 CO -0.03 -0.11 0.12 -0.08 -1.08 0.00 0.00 178.44 177.25 1qk1 h GLU 308 N -0.17 0.25 0.00 1.13 4.81 -1.07 -1.28 114.58 118.24 1qk1 h GLU 308 Ca -0.01 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1qk1 h GLU 308 Cb 0.15 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1qk1 h GLU 308 CO -0.00 0.17 -0.27 -0.91 -0.73 0.00 0.00 179.01 177.26 1qk1 h ASN 309 N 0.26 0.00 0.04 1.04 4.21 -1.08 -1.93 115.58 118.11 1qk1 h ASN 309 Ca 0.23 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.74 1qk1 h ASN 309 Cb 0.29 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 1qk1 h ASN 309 CO -0.29 0.27 -0.04 0.18 -1.29 0.00 0.00 177.43 176.27 1qk1 n LEU 310 N -3.88 1.16 -3.49 1.61 4.77 -0.70 -0.67 117.00 115.80 1qk1 n LEU 310 Ca -0.02 -0.37 -0.19 0.00 -0.03 0.00 0.00 56.01 55.41 1qk1 n LEU 310 Cb 0.35 -0.03 0.08 0.00 -2.33 0.00 0.00 43.42 41.50 1qk1 n LEU 310 CO 0.35 0.20 0.14 0.54 -1.33 0.00 0.00 177.39 177.29 1qk1 n ARG 311 N -0.17 -6.93 -4.37 3.23 1.74 -0.57 -4.90 116.66 104.69 1qk1 n ARG 311 Ca 0.19 0.83 -0.23 0.00 -0.77 0.00 0.00 57.85 57.88 1qk1 n ARG 311 Cb 0.31 -5.85 -0.11 0.00 -1.02 0.00 0.00 32.46 25.79 1qk1 n ARG 311 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1qk1 s LEU 312 N -6.64 2.47 0.11 0.55 1.43 -0.73 -2.21 118.68 113.67 1qk1 s LEU 312 Ca 0.16 -0.91 0.05 0.00 -1.03 0.00 0.00 54.13 52.41 1qk1 s LEU 312 Cb -0.07 -0.91 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 1qk1 s LEU 312 CO 0.73 -0.01 -0.12 0.00 0.23 0.00 0.00 176.35 177.18 1qk1 s GLN 313 N -2.99 0.92 0.18 1.70 -2.07 -0.25 -4.32 119.66 112.84 1qk1 s GLN 313 Ca 0.20 -1.17 0.10 0.00 -1.82 0.00 0.00 55.36 52.66 1qk1 s GLN 313 Cb -0.05 -0.73 -0.04 0.00 -1.09 0.00 0.00 33.01 31.09 1qk1 s GLN 313 CO 0.08 0.13 -0.20 -1.59 -1.32 0.00 0.00 175.29 172.40 1qk1 s LYS 314 N -2.62 1.38 0.27 9.60 -2.85 -1.26 -2.10 119.74 122.16 1qk1 s LYS 314 Ca 0.06 -1.48 -0.15 0.00 -1.00 0.00 0.00 55.97 53.40 1qk1 s LYS 314 Cb -0.05 -1.50 0.01 0.00 -2.06 0.00 0.00 37.83 34.23 1qk1 s LYS 314 CO 0.02 0.31 0.58 -0.98 0.10 0.00 0.00 175.35 175.38 1qk1 s ARG 315 N -2.86 1.70 0.81 1.78 1.70 -0.74 -4.98 118.95 116.35 1qk1 s ARG 315 Ca 0.19 -1.20 -0.13 0.00 -0.47 0.00 0.00 55.73 54.12 1qk1 s ARG 315 Cb -0.06 0.53 0.08 0.00 -0.57 0.00 0.00 34.95 34.93 1qk1 s ARG 315 CO 0.08 -0.74 1.19 0.20 -1.08 0.00 0.00 175.30 174.95 1qk1 s GLY 316 N -3.00 2.08 0.00 3.88 0.00 -1.26 -1.93 107.32 107.09 1qk1 s GLY 316 Ca 0.18 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.67 1qk1 s GLY 316 CO 0.09 1.18 0.66 2.41 0.00 0.00 0.00 173.10 177.43 1qk1 n THR 317 N -3.36 0.00 0.00 0.90 -1.04 -1.26 -4.50 114.28 105.01 1qk1 n THR 317 Ca 0.13 1.12 0.00 0.00 -2.04 0.00 0.00 64.05 63.26 1qk1 n THR 317 Cb 0.51 -2.05 0.00 0.00 -1.82 0.00 0.00 70.33 66.97 1qk1 n THR 317 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qk1 n GLY 318 N -0.30 3.87 4.08 3.41 0.00 -1.26 -4.95 105.19 110.03 1qk1 n GLY 318 Ca 0.00 -1.22 -0.34 0.00 0.00 0.00 0.00 46.02 44.46 1qk1 n GLY 318 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qk1 n GLY 319 N -1.56 -0.47 3.62 -0.02 0.00 -1.26 -4.74 105.19 100.75 1qk1 n GLY 319 Ca 0.00 0.16 -0.59 0.00 0.00 0.00 0.00 46.02 45.60 1qk1 n GLY 319 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qk1 n VAL 320 N -4.54 0.06 -3.59 1.61 0.31 -1.26 -4.99 118.33 105.93 1qk1 n VAL 320 Ca 0.06 -0.01 -0.18 0.00 -0.01 0.00 0.00 64.34 64.21 1qk1 n VAL 320 Cb 0.51 -0.55 -0.14 0.00 -0.91 0.00 0.00 33.84 32.74 1qk1 n VAL 320 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1qk1 s ASP 321 N 1.40 1.07 -0.48 4.52 1.01 -1.26 -5.04 116.67 117.89 1qk1 s ASP 321 Ca 0.93 0.08 -0.05 0.00 0.71 0.00 0.00 52.55 54.22 1qk1 s ASP 321 Cb -1.19 0.33 -0.11 0.00 1.01 0.00 0.00 42.92 42.96 1qk1 s ASP 321 CO 0.61 -0.28 2.29 0.35 0.21 0.00 0.00 175.17 178.34 1qk1 n THR 322 N 5.32 2.19 0.00 -1.27 -2.24 -1.26 -3.50 114.28 113.53 1qk1 n THR 322 Ca -0.05 -1.22 0.00 0.00 -2.27 0.00 0.00 64.05 60.51 1qk1 n THR 322 Cb 0.50 -1.98 0.00 0.00 -2.10 0.00 0.00 70.33 66.74 1qk1 n THR 322 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qk1 n ALA 323 N 3.40 0.55 -0.26 6.98 0.00 -1.26 -5.09 120.51 124.83 1qk1 n ALA 323 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1qk1 n ALA 323 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1qk1 n ALA 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qk1 n ALA 324 N -1.27 0.00 -2.66 0.00 0.00 -1.23 -4.80 120.51 110.54 1qk1 n ALA 324 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1qk1 n ALA 324 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1qk1 n ALA 324 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1qk1 s THR 325 N 0.00 1.18 0.32 0.00 2.01 -1.26 -5.15 115.64 112.74 1qk1 s THR 325 Ca 0.00 -1.22 0.08 0.00 0.31 0.00 0.00 61.69 60.86 1qk1 s THR 325 Cb 0.00 -1.10 -0.06 0.00 0.01 0.00 0.00 72.50 71.34 1qk1 s THR 325 CO 0.00 -0.12 -0.07 -0.83 -0.69 0.00 0.00 174.62 172.91 1qk1 s GLY 326 N -1.54 2.05 0.00 4.40 0.00 -1.26 -4.74 107.32 106.23 1qk1 s GLY 326 Ca 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 44.72 42.70 1qk1 s GLY 326 CO 0.02 -1.95 0.00 0.61 0.00 0.00 0.00 173.10 171.78 1qk1 n GLY 327 N -0.71 1.30 3.57 0.20 0.00 -1.26 -4.83 105.19 103.46 1qk1 n GLY 327 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1qk1 n GLY 327 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qk1 s VAL 328 N -3.09 5.04 0.28 1.61 1.01 -1.26 0.45 120.40 124.44 1qk1 s VAL 328 Ca 0.00 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.11 1qk1 s VAL 328 Cb 0.00 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 1qk1 s VAL 328 CO 0.00 0.30 -0.02 -0.36 0.00 0.00 0.00 175.10 175.02 1qk1 s PHE 329 N 1.49 1.87 -0.39 5.22 0.40 -0.17 -4.25 117.98 122.15 1qk1 s PHE 329 Ca 0.07 -0.80 -0.07 0.00 -0.60 0.00 0.00 56.93 55.53 1qk1 s PHE 329 Cb -0.15 -1.11 0.07 0.00 0.51 0.00 0.00 43.02 42.34 1qk1 s PHE 329 CO 0.07 0.16 0.19 0.34 0.70 0.00 0.00 175.22 176.68 1qk1 s ASP 330 N -3.42 5.45 -0.14 1.36 -1.08 -0.81 -0.97 116.67 117.06 1qk1 s ASP 330 Ca 0.30 -1.45 -0.04 0.00 -0.52 0.00 0.00 52.55 50.84 1qk1 s ASP 330 Cb 0.05 -1.92 -0.03 0.00 -1.46 0.00 0.00 42.92 39.56 1qk1 s ASP 330 CO 0.12 -0.46 -0.01 -0.63 0.52 0.00 0.00 175.17 174.70 1qk1 s ILE 331 N 1.37 4.14 0.24 4.11 -1.09 -0.65 -1.80 121.20 127.52 1qk1 s ILE 331 Ca 0.02 -0.28 -0.14 0.00 -2.23 0.00 0.00 60.65 58.02 1qk1 s ILE 331 Cb -0.22 -2.80 0.00 0.00 -1.58 0.00 0.00 42.46 37.86 1qk1 s ILE 331 CO 0.01 0.52 0.48 -0.94 -1.23 0.00 0.00 174.94 173.79 1qk1 s SER 332 N 0.00 -0.11 0.55 3.58 1.04 -0.89 -1.09 113.70 116.78 1qk1 s SER 332 Ca 0.02 -0.85 -0.20 0.00 0.48 0.00 0.00 55.95 55.40 1qk1 s SER 332 Cb -0.13 0.58 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 1qk1 s SER 332 CO 0.02 -1.12 1.24 0.54 0.98 0.00 0.00 173.24 174.90 1qk1 s ASN 333 N -2.99 5.40 -0.18 7.02 4.22 -1.07 -1.09 114.94 126.25 1qk1 s ASN 333 Ca 0.20 2.49 -0.17 0.00 -2.14 0.00 0.00 52.86 53.24 1qk1 s ASN 333 Cb -0.01 -2.61 -0.22 0.00 1.28 0.00 0.00 41.25 39.69 1qk1 s ASN 333 CO 0.07 -1.46 0.28 0.25 -2.04 0.00 0.00 177.10 174.20 1qk1 h LEU 334 N 1.28 0.15-10.23 3.54 7.12 -1.76 -3.43 115.31 111.98 1qk1 h LEU 334 Ca -0.50 -0.67 -0.50 0.00 0.13 0.00 0.00 57.88 56.34 1qk1 h LEU 334 Cb 1.29 -0.05 0.07 0.00 -0.53 0.00 0.00 40.66 41.44 1qk1 h LEU 334 CO 0.57 1.62 0.37 -1.81 -0.13 0.00 0.00 178.44 179.06 1qk1 s ASP 335 N -6.93 5.62 0.00 1.25 1.01 -1.26 -4.99 116.67 111.37 1qk1 s ASP 335 Ca -0.26 1.78 0.00 0.00 0.71 0.00 0.00 52.55 54.78 1qk1 s ASP 335 Cb 0.06 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.46 1qk1 s ASP 335 CO 0.66 -1.28 0.00 -1.14 0.21 0.00 0.00 175.17 173.62 1qk1 n ARG 336 N -2.33 0.00 -5.18 8.23 0.63 -1.26 -4.90 116.66 111.84 1qk1 n ARG 336 Ca 0.09 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.71 1qk1 n ARG 336 Cb 0.53 -0.45 -0.15 0.00 0.45 0.00 0.00 32.46 32.84 1qk1 n ARG 336 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1qk1 s LEU 337 N -2.06 2.15 0.00 6.15 0.20 -1.26 -2.07 118.68 121.78 1qk1 s LEU 337 Ca 0.00 -0.47 0.00 0.00 0.69 0.00 0.00 54.13 54.35 1qk1 s LEU 337 Cb 0.00 -1.35 0.00 0.00 -0.43 0.00 0.00 46.19 44.41 1qk1 s LEU 337 CO 0.00 0.31 0.00 0.61 -0.29 0.00 0.00 176.35 176.98 1qk1 n GLY 338 N 2.28 0.61 2.93 7.98 0.00 -1.26 -4.98 105.19 112.75 1qk1 n GLY 338 Ca -0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 1qk1 n GLY 338 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qk1 s LYS 339 N -0.79 0.07 0.86 1.61 1.02 -1.26 -4.91 119.74 116.35 1qk1 s LYS 339 Ca 0.00 0.07 -0.11 0.00 0.02 0.00 0.00 55.97 55.94 1qk1 s LYS 339 Cb 0.00 0.03 0.11 0.00 -0.52 0.00 0.00 37.83 37.45 1qk1 s LYS 339 CO 0.00 -0.01 1.09 -1.54 -0.92 0.00 0.00 175.35 173.97 1qk1 s SER 340 N -0.00 3.82 0.36 2.83 1.04 -1.25 -4.79 113.70 115.71 1qk1 s SER 340 Ca -0.00 1.51 0.10 0.00 0.48 0.00 0.00 55.95 58.04 1qk1 s SER 340 Cb -0.01 -2.21 0.70 0.00 0.10 0.00 0.00 66.02 64.60 1qk1 s SER 340 CO 0.00 -2.42 1.84 1.05 0.98 0.00 0.00 173.24 174.69 1qk1 h GLU 341 N -1.40 0.17 -0.37 4.02 9.09 -1.82 -1.10 114.58 123.17 1qk1 h GLU 341 Ca -0.48 -0.05 -0.04 0.00 0.05 0.00 0.00 59.36 58.84 1qk1 h GLU 341 Cb 1.27 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 28.34 1qk1 h GLU 341 CO 0.55 0.43 0.09 0.28 0.05 0.00 0.00 179.01 180.40 1qk1 h VAL 342 N 0.16 1.23 -0.55 -1.06 2.07 -1.90 -1.02 116.25 115.18 1qk1 h VAL 342 Ca 0.03 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 1qk1 h VAL 342 Cb 0.55 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1qk1 h VAL 342 CO 0.04 0.26 0.17 -0.33 0.02 0.00 0.00 177.57 177.73 1qk1 h GLU 343 N 0.46 0.83 -0.28 1.57 5.08 -1.78 -1.50 114.58 118.95 1qk1 h GLU 343 Ca 0.12 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 58.15 1qk1 h GLU 343 Cb 0.31 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1qk1 h GLU 343 CO 0.00 0.72 -0.50 -0.07 -1.00 0.00 0.00 179.01 178.16 1qk1 h LEU 344 N 0.80 0.93 -0.34 1.33 3.38 -0.90 -1.19 115.31 119.33 1qk1 h LEU 344 Ca 0.18 -0.53 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 1qk1 h LEU 344 Cb 0.24 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1qk1 h LEU 344 CO -0.01 1.28 -0.12 0.58 0.09 0.00 0.00 178.44 180.27 1qk1 h VAL 345 N 0.61 1.28 -0.63 1.22 2.07 -1.07 -1.67 116.25 118.06 1qk1 h VAL 345 Ca 0.02 -1.20 0.06 0.00 0.82 0.00 0.00 66.70 66.39 1qk1 h VAL 345 Cb 1.10 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 1qk1 h VAL 345 CO 0.11 0.39 0.34 -0.61 0.02 0.00 0.00 177.57 177.83 1qk1 h GLN 346 N 0.45 0.62 -0.71 1.57 5.75 -1.25 0.50 115.11 122.04 1qk1 h GLN 346 Ca 0.08 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1qk1 h GLN 346 Cb 0.63 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.01 1qk1 h GLN 346 CO 0.04 0.41 0.43 1.25 -2.65 0.00 0.00 178.83 178.31 1qk1 h LEU 347 N 0.64 0.84 -0.25 -2.39 6.46 -0.98 0.63 115.31 120.26 1qk1 h LEU 347 Ca 0.28 -0.04 -0.18 0.00 -0.12 0.00 0.00 57.88 57.82 1qk1 h LEU 347 Cb 0.18 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 1qk1 h LEU 347 CO -0.18 0.64 -0.55 0.58 -0.62 0.00 0.00 178.44 178.31 1qk1 h VAL 348 N 0.97 1.28 -0.17 1.05 2.07 -0.36 -1.01 116.25 120.09 1qk1 h VAL 348 Ca 0.26 -1.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 1qk1 h VAL 348 Cb -0.05 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1qk1 h VAL 348 CO -0.05 0.56 0.10 0.40 0.02 0.00 0.00 177.57 178.60 1qk1 h ILE 349 N 0.58 1.08 -0.38 4.57 2.04 -0.37 0.80 117.51 125.84 1qk1 h ILE 349 Ca 0.00 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1qk1 h ILE 349 Cb 1.16 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 1qk1 h ILE 349 CO 0.12 0.08 0.11 0.44 0.00 0.00 0.00 178.15 178.90 1qk1 h ASP 350 N 0.18 0.56 -0.49 1.72 3.32 -0.88 -1.99 116.42 118.84 1qk1 h ASP 350 Ca 0.06 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1qk1 h ASP 350 Cb 0.04 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1qk1 h ASP 350 CO -0.01 0.62 0.24 1.23 -1.72 0.00 0.00 179.24 179.60 1qk1 h GLY 351 N 0.46 0.75 1.34 2.75 0.00 -1.02 -1.85 103.07 105.51 1qk1 h GLY 351 Ca 0.12 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 1qk1 h GLY 351 CO -0.00 0.35 -0.14 -2.08 0.00 0.00 0.00 176.54 174.66 1qk1 h VAL 352 N 0.64 1.26 -0.66 4.60 2.07 -0.79 -1.72 116.25 121.66 1qk1 h VAL 352 Ca 0.17 -1.22 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 1qk1 h VAL 352 Cb 0.11 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1qk1 h VAL 352 CO -0.02 0.41 0.23 0.78 0.02 0.00 0.00 177.57 178.99 1qk1 h ASN 353 N 0.69 0.91 0.37 0.57 2.35 -1.16 -0.54 115.58 118.77 1qk1 h ASN 353 Ca 0.11 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.65 1qk1 h ASN 353 Cb 0.63 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1qk1 h ASN 353 CO 0.04 0.84 -0.33 0.22 -1.65 0.00 0.00 177.43 176.56 1qk1 h TYR 354 N 0.96 0.00 0.00 1.19 5.03 -0.90 -1.32 116.97 121.93 1qk1 h TYR 354 Ca 0.22 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.45 1qk1 h TYR 354 Cb 0.24 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 1qk1 h TYR 354 CO 0.02 0.33 -0.36 -0.07 -1.32 0.00 0.00 178.16 176.75 1qk1 h LEU 355 N 0.00 0.00 0.03 2.82 4.07 -0.31 -2.13 115.31 119.79 1qk1 h LEU 355 Ca -0.00 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 1qk1 h LEU 355 Cb 0.60 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.35 1qk1 h LEU 355 CO 0.04 0.36 -0.22 0.40 -1.08 0.00 0.00 178.44 177.95 1qk1 h ILE 356 N 0.00 1.66 -0.31 1.22 2.04 -0.44 -2.68 117.51 119.00 1qk1 h ILE 356 Ca -0.00 -2.21 0.07 0.00 1.00 0.00 0.00 64.86 63.71 1qk1 h ILE 356 Cb 1.15 3.13 -0.07 0.00 -0.74 0.00 0.00 36.82 40.29 1qk1 h ILE 356 CO 0.05 0.59 -0.14 -0.78 0.00 0.00 0.00 178.15 177.87 1qk1 h ASP 357 N -0.72 -0.48 -0.58 1.72 1.82 -1.30 -1.47 116.42 115.42 1qk1 h ASP 357 Ca -0.03 0.12 0.11 0.00 -0.39 0.00 0.00 57.03 56.83 1qk1 h ASP 357 Cb 1.09 0.27 -0.09 0.00 0.68 0.00 0.00 39.33 41.28 1qk1 h ASP 357 CO 0.04 -0.17 0.10 0.00 -1.61 0.00 0.00 179.24 177.59 1qk1 h GLU 359 N 0.23 -0.59 -0.86 0.00 4.57 -0.94 -2.54 114.58 114.44 1qk1 h GLU 359 Ca 0.30 0.04 0.12 0.00 -1.18 0.00 0.00 59.36 58.64 1qk1 h GLU 359 Cb 0.45 0.13 -0.08 0.00 -0.16 0.00 0.00 28.75 29.09 1qk1 h GLU 359 CO -0.41 -0.39 0.49 0.00 -1.18 0.00 0.00 179.01 177.52 1qk1 h ARG 360 N -0.61 0.74 -0.91 1.92 3.08 -0.79 0.12 114.38 117.93 1qk1 h ARG 360 Ca -0.05 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.02 1qk1 h ARG 360 Cb 0.49 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.31 1qk1 h ARG 360 CO 0.07 0.49 0.59 0.00 -1.07 0.00 0.00 179.97 180.05 1qk1 h ARG 361 N 0.76 1.00 0.00 0.04 2.47 -1.04 0.92 114.38 118.54 1qk1 h ARG 361 Ca 0.44 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 59.10 1qk1 h ARG 361 Cb 0.49 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 1qk1 h ARG 361 CO -0.29 0.66 0.00 1.28 0.56 0.00 0.00 179.97 182.18 1qk1 n LEU 362 N -4.49 0.00 -0.55 3.04 4.77 0.37 -1.44 117.00 118.70 1qk1 n LEU 362 Ca 0.14 0.44 0.13 0.00 -0.03 0.00 0.00 56.01 56.68 1qk1 n LEU 362 Cb 0.20 -0.44 0.31 0.00 -2.33 0.00 0.00 43.42 41.16 1qk1 n LEU 362 CO 0.33 -0.12 0.68 -0.62 -1.33 0.00 0.00 177.39 176.33 1qk1 n GLU 363 N -1.44 1.58 -0.20 3.23 1.02 0.30 -3.57 120.64 121.57 1qk1 n GLU 363 Ca 0.07 -1.11 0.08 0.00 -0.02 0.00 0.00 57.16 56.18 1qk1 n GLU 363 Cb 0.23 -1.48 0.12 0.00 -0.02 0.00 0.00 31.44 30.29 1qk1 n GLU 363 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1qk1 n ARG 364 N 0.26 1.10 -0.51 3.49 1.74 -0.82 -4.98 116.66 116.94 1qk1 n ARG 364 Ca 0.15 -2.40 0.00 0.00 -0.77 0.00 0.00 57.85 54.82 1qk1 n ARG 364 Cb 0.43 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 1qk1 n ARG 364 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qk1 n GLY 365 N -1.18 0.00 3.70 -0.13 0.00 -1.16 -4.94 105.19 101.48 1qk1 n GLY 365 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1qk1 n GLY 365 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qk1 s GLN 366 N -1.01 0.67 0.16 1.61 -0.21 -0.52 -4.96 119.66 115.40 1qk1 s GLN 366 Ca 0.00 0.56 0.01 0.00 0.02 0.00 0.00 55.36 55.95 1qk1 s GLN 366 Cb 0.00 -1.76 -0.04 0.00 1.00 0.00 0.00 33.01 32.21 1qk1 s GLN 366 CO 0.00 -2.58 0.32 0.34 -2.12 0.00 0.00 175.29 171.25 1qk1 s ASP 367 N -3.50 6.36 0.07 5.90 -1.08 -1.26 -4.30 116.67 118.85 1qk1 s ASP 367 Ca 0.65 0.25 0.07 0.00 -0.52 0.00 0.00 52.55 53.00 1qk1 s ASP 367 Cb -0.18 -1.95 -0.03 0.00 -1.46 0.00 0.00 42.92 39.30 1qk1 s ASP 367 CO 0.57 0.03 -0.19 0.27 0.52 0.00 0.00 175.17 176.36 1qk1 s ILE 368 N -1.77 1.57 0.27 4.11 -4.36 -1.26 -4.97 121.20 114.79 1qk1 s ILE 368 Ca 0.36 -1.33 0.07 0.00 -0.26 0.00 0.00 60.65 59.49 1qk1 s ILE 368 Cb -0.11 -1.41 -0.03 0.00 1.25 0.00 0.00 42.46 42.15 1qk1 s ILE 368 CO 0.29 0.03 0.20 0.00 0.24 0.00 0.00 174.94 175.70 1qk1 s ARG 369 N -1.54 2.85 -0.41 0.37 3.03 -1.26 -5.07 118.95 116.92 1qk1 s ARG 369 Ca 0.05 -1.12 -0.27 0.00 2.03 0.00 0.00 55.73 56.42 1qk1 s ARG 369 Cb -0.09 -2.52 0.02 0.00 -1.03 0.00 0.00 34.95 31.33 1qk1 s ARG 369 CO 0.03 0.35 1.01 0.42 -1.13 0.00 0.00 175.30 175.97 1qk1 s ILE 370 N -2.18 4.44 0.58 4.99 -1.09 -1.26 -5.00 121.20 121.69 1qk1 s ILE 370 Ca 0.34 1.18 -0.18 0.00 -2.23 0.00 0.00 60.65 59.76 1qk1 s ILE 370 Cb -0.07 -4.45 -0.06 0.00 -1.58 0.00 0.00 42.46 36.30 1qk1 s ILE 370 CO 0.25 -0.73 0.79 -0.81 -1.23 0.00 0.00 174.94 173.21 1qk1 n PRO 371 N 7.18 0.75 -2.53 2.79 -0.04 -1.26 -4.92 135.00 136.98 1qk1 n PRO 371 Ca 0.09 0.29 -0.40 0.00 -0.04 0.00 0.00 63.50 63.44 1qk1 n PRO 371 Cb 0.48 -1.98 -0.05 0.00 -0.04 0.00 0.00 33.50 31.92 1qk1 n PRO 371 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1qk1 s THR 372 N -1.59 3.61 -0.26 0.52 -1.32 -1.26 -4.89 115.64 110.45 1qk1 s THR 372 Ca 0.73 1.61 -0.42 0.00 -1.21 0.00 0.00 61.69 62.40 1qk1 s THR 372 Cb -0.43 -4.02 -0.17 0.00 -1.51 0.00 0.00 72.50 66.36 1qk1 s THR 372 CO 0.50 0.38 1.58 -2.65 -2.21 0.00 0.00 174.62 172.22 1qk1 n PRO 373 N 1.30 0.72 -1.21 7.08 -0.02 -1.26 -4.83 135.00 136.78 1qk1 n PRO 373 Ca -0.01 0.26 -0.35 0.00 -2.02 0.00 0.00 63.50 61.38 1qk1 n PRO 373 Cb 0.45 -1.87 -0.02 0.00 -0.02 0.00 0.00 33.50 32.03 1qk1 n PRO 373 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1qk1 n VAL 374 N 3.83 3.41 -3.61 -1.45 0.31 0.16 -4.91 118.33 116.07 1qk1 n VAL 374 Ca 0.26 -2.25 -0.37 0.00 -0.01 0.00 0.00 64.34 61.97 1qk1 n VAL 374 Cb 0.08 -2.45 -0.07 0.00 -0.91 0.00 0.00 33.84 30.49 1qk1 n VAL 374 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1qk1 s ILE 375 N 2.96 5.31 -0.21 2.52 1.10 -1.26 -4.92 121.20 126.69 1qk1 s ILE 375 Ca 0.56 0.49 0.01 0.00 -0.51 0.00 0.00 60.65 61.21 1qk1 s ILE 375 Cb 0.15 -3.59 0.05 0.00 0.15 0.00 0.00 42.46 39.22 1qk1 s ILE 375 CO -0.04 0.46 -0.09 -2.28 -2.11 0.00 0.00 174.94 170.88 1qk1 s HIS 376 N -0.01 2.52 0.31 3.50 5.65 -1.26 -5.13 115.29 120.86 1qk1 s HIS 376 Ca 0.16 -1.72 0.06 0.00 0.25 0.00 0.00 55.06 53.82 1qk1 s HIS 376 Cb -0.13 -1.66 -0.02 0.00 -1.18 0.00 0.00 32.58 29.59 1qk1 s HIS 376 CO 0.05 -0.77 0.39 0.99 -0.65 0.00 0.00 174.74 174.75 1qk1 s THR 377 N 1.36 4.27 0.00 0.89 2.01 -1.26 -5.02 115.64 117.89 1qk1 s THR 377 Ca -0.03 -1.10 0.00 0.00 0.31 0.00 0.00 61.69 60.87 1qk1 s THR 377 Cb -0.17 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 68.87 1qk1 s THR 377 CO -0.07 -0.21 0.00 1.17 -0.69 0.00 0.00 174.62 174.81 1qk1 n LYS 378 N -1.50 0.00 0.00 4.92 0.00 -1.26 -5.30 118.16 115.03 1qk1 n LYS 378 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 58.31 58.42 1qk1 n LYS 378 Cb 0.58 -0.47 0.47 0.00 0.00 0.00 0.00 35.03 35.62 1qk1 n LYS 378 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12