#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bqc s PRO 4 N 0.00 3.74 0.09 1.61 0.04 -1.26 -4.81 135.00 134.42 3bqc s PRO 4 Ca 0.00 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 3bqc s PRO 4 Cb 0.00 -2.09 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 3bqc s PRO 4 CO 0.00 -0.46 1.12 0.08 0.04 0.00 0.00 177.00 177.78 3bqc s VAL 5 N -2.23 4.13 0.87 -0.36 1.01 0.30 -5.00 120.40 119.12 3bqc s VAL 5 Ca 0.64 1.63 -0.11 0.00 0.00 0.00 0.00 61.98 64.14 3bqc s VAL 5 Cb -0.14 -4.04 0.11 0.00 0.00 0.00 0.00 36.38 32.31 3bqc s VAL 5 CO 0.25 0.18 1.09 -2.84 0.00 0.00 0.00 175.10 173.79 3bqc s PRO 6 N 0.53 1.48 0.02 2.72 0.02 -1.26 -4.90 135.00 133.61 3bqc s PRO 6 Ca 0.54 1.02 -0.03 0.00 0.02 0.00 0.00 61.00 62.56 3bqc s PRO 6 Cb -0.28 -1.82 -0.02 0.00 0.02 0.00 0.00 34.50 32.41 3bqc s PRO 6 CO 0.31 -2.14 0.03 0.45 -0.33 0.00 0.00 177.00 175.31 3bqc s SER 7 N -3.29 0.21 0.03 2.53 0.15 -1.26 -5.09 113.70 106.97 3bqc s SER 7 Ca 0.63 -0.49 0.02 0.00 0.70 0.00 0.00 55.95 56.82 3bqc s SER 7 Cb -0.18 0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.26 3bqc s SER 7 CO 0.57 -0.37 -0.07 -0.13 1.20 0.00 0.00 173.24 174.44 3bqc s ARG 8 N -1.83 0.49 0.48 5.44 1.81 -1.26 -4.41 118.95 119.66 3bqc s ARG 8 Ca -0.12 -0.56 -0.24 0.00 -1.72 0.00 0.00 55.73 53.09 3bqc s ARG 8 Cb -0.07 -0.32 -0.07 0.00 -0.45 0.00 0.00 34.95 34.04 3bqc s ARG 8 CO -0.02 0.07 1.37 0.00 -0.68 0.00 0.00 175.30 176.04 3bqc n ALA 9 N 1.98 1.71 1.12 2.13 0.00 -1.26 -4.91 120.51 121.28 3bqc n ALA 9 Ca -0.19 0.21 0.13 0.00 0.00 0.00 0.00 53.44 53.58 3bqc n ALA 9 Cb 0.56 -2.35 0.34 0.00 0.00 0.00 0.00 19.45 18.00 3bqc n ALA 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3bqc n ARG 10 N -0.42 0.37 -4.15 0.00 1.74 -1.26 -4.58 116.66 108.36 3bqc n ARG 10 Ca 0.07 -0.21 -0.14 0.00 -0.77 0.00 0.00 57.85 56.81 3bqc n ARG 10 Cb 0.42 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.26 3bqc n ARG 10 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3bqc s VAL 11 N -2.77 0.85 -1.67 1.55 -7.23 -1.26 -4.87 120.40 104.99 3bqc s VAL 11 Ca 0.18 -1.53 -0.17 0.00 -1.81 0.00 0.00 61.98 58.64 3bqc s VAL 11 Cb 0.18 -1.22 0.14 0.00 0.56 0.00 0.00 36.38 36.05 3bqc s VAL 11 CO 0.61 -0.53 0.81 -1.22 -0.31 0.00 0.00 175.10 174.45 3bqc n TYR 12 N 0.73 -1.82 -0.11 2.82 4.01 -1.26 -4.82 117.16 116.71 3bqc n TYR 12 Ca -0.17 0.81 -0.11 0.00 -0.16 0.00 0.00 57.90 58.27 3bqc n TYR 12 Cb 0.57 -3.12 -0.03 0.00 -0.31 0.00 0.00 39.34 36.45 3bqc n TYR 12 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3bqc h THR 13 N -1.59 1.26 -0.30 -0.72 2.02 -1.90 -3.28 112.91 108.40 3bqc h THR 13 Ca -0.59 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 65.64 3bqc h THR 13 Cb 1.38 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 3bqc h THR 13 CO 0.76 0.31 0.00 0.47 0.37 0.00 0.00 175.52 177.43 3bqc n ASP 14 N -4.54 3.52 -0.28 4.18 8.00 -1.26 -4.20 116.55 121.96 3bqc n ASP 14 Ca -0.02 -2.61 0.02 0.00 0.71 0.00 0.00 54.79 52.89 3bqc n ASP 14 Cb 0.26 -0.42 0.15 0.00 -0.02 0.00 0.00 41.12 41.09 3bqc n ASP 14 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 3bqc h VAL 15 N 1.91 0.92 0.00 2.53 -1.51 -1.90 -1.74 116.25 116.46 3bqc h VAL 15 Ca 0.00 -0.26 -0.08 0.00 -1.23 0.00 0.00 66.70 65.13 3bqc h VAL 15 Cb 1.16 0.10 -0.01 0.00 -2.13 0.00 0.00 31.29 30.41 3bqc h VAL 15 CO 0.14 0.14 -0.38 0.78 -1.23 0.00 0.00 177.57 177.01 3bqc h ASN 16 N 0.75 0.00 0.92 4.19 2.35 -1.85 -3.20 115.58 118.74 3bqc h ASN 16 Ca 0.37 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.08 3bqc h ASN 16 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3bqc h ASN 16 CO -0.24 0.38 -0.20 0.71 -1.65 0.00 0.00 177.43 176.44 3bqc h THR 17 N 0.00 0.49 -0.00 2.81 1.35 -1.66 -2.79 112.91 113.11 3bqc h THR 17 Ca -0.00 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 3bqc h THR 17 Cb 1.11 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 3bqc h THR 17 CO 0.05 0.19 -0.74 1.41 -0.25 0.00 0.00 175.52 176.18 3bqc n HIS 18 N -3.37 0.00 -2.14 4.73 8.25 -1.16 -4.95 115.22 116.58 3bqc n HIS 18 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.15 3bqc n HIS 18 Cb 0.41 -0.12 -0.01 0.00 1.12 0.00 0.00 29.99 31.39 3bqc n HIS 18 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3bqc s ARG 19 N -2.97 3.78 0.51 -0.41 1.81 -1.05 -5.03 118.95 115.58 3bqc s ARG 19 Ca 0.10 0.86 -0.21 0.00 -1.72 0.00 0.00 55.73 54.76 3bqc s ARG 19 Cb 0.17 -2.11 -0.06 0.00 -0.45 0.00 0.00 34.95 32.50 3bqc s ARG 19 CO 0.77 -0.42 1.19 -1.25 -0.68 0.00 0.00 175.30 174.92 3bqc s PRO 20 N -4.59 3.46 0.32 3.54 0.04 -1.26 -4.89 135.00 131.61 3bqc s PRO 20 Ca 0.57 1.81 0.08 0.00 0.04 0.00 0.00 61.00 63.50 3bqc s PRO 20 Cb -0.10 -2.22 0.94 0.00 0.04 0.00 0.00 34.50 33.15 3bqc s PRO 20 CO 0.42 -0.81 1.54 -2.13 0.04 0.00 0.00 177.00 176.06 3bqc n ARG 21 N -0.91 -0.07 -0.02 4.56 3.00 -1.26 -0.99 116.66 120.96 3bqc n ARG 21 Ca 0.10 1.43 0.14 0.00 -0.00 0.00 0.00 57.85 59.52 3bqc n ARG 21 Cb 0.48 -2.37 0.57 0.00 0.00 0.00 0.00 32.46 31.15 3bqc n ARG 21 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 3bqc h GLU 22 N 0.00 0.24 -0.16 -0.14 4.11 -1.90 0.13 114.58 116.86 3bqc h GLU 22 Ca 0.67 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 60.07 3bqc h GLU 22 Cb 1.55 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 3bqc h GLU 22 CO -0.87 0.16 0.05 -0.92 0.07 0.00 0.00 179.01 177.49 3bqc h TYR 23 N 0.24 0.26 0.00 2.06 3.20 -1.43 -3.35 116.97 117.95 3bqc h TYR 23 Ca 0.24 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3bqc h TYR 23 Cb 0.62 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.81 3bqc h TYR 23 CO -0.00 0.37 -1.01 -2.67 -1.64 0.00 0.00 178.16 173.21 3bqc n TRP 24 N -4.83 0.00 -2.35 -3.82 4.27 -0.96 -4.76 117.44 104.99 3bqc n TRP 24 Ca -0.05 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.13 3bqc n TRP 24 Cb 0.15 -0.12 0.00 0.00 -1.36 0.00 0.00 31.31 29.98 3bqc n TRP 24 CO 0.00 0.00 0.00 -3.47 -2.29 0.00 0.00 177.69 171.93 3bqc n ASP 25 N -1.57 4.72 0.22 -0.67 2.03 0.42 -4.75 116.55 116.96 3bqc n ASP 25 Ca 0.00 -2.95 0.06 0.00 0.52 0.00 0.00 54.79 52.42 3bqc n ASP 25 Cb 0.26 -1.62 0.50 0.00 -0.72 0.00 0.00 41.12 39.53 3bqc n ASP 25 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 3bqc h TYR 26 N 6.59 0.00 0.00 -0.67 -0.00 -1.86 -2.19 116.97 118.85 3bqc h TYR 26 Ca 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 59.17 3bqc h TYR 26 Cb 0.75 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.48 3bqc h TYR 26 CO 1.33 0.22 -0.03 0.93 -0.00 0.00 0.00 178.16 180.61 3bqc h GLU 27 N 0.00 0.00 -0.00 0.10 5.08 -1.90 -0.89 114.58 116.97 3bqc h GLU 27 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3bqc h GLU 27 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3bqc h GLU 27 CO 0.03 0.03 -0.32 0.43 -1.00 0.00 0.00 179.01 178.18 3bqc n SER 28 N -3.91 0.72 -4.72 1.42 7.64 -0.82 -4.95 113.62 109.00 3bqc n SER 28 Ca -0.03 -0.55 -0.42 0.00 1.01 0.00 0.00 58.87 58.88 3bqc n SER 28 Cb 0.12 0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.41 3bqc n SER 28 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3bqc s HIS 29 N -2.70 2.85 -0.38 1.43 5.04 -0.34 -4.97 115.29 116.22 3bqc s HIS 29 Ca 0.19 0.36 -0.19 0.00 -1.54 0.00 0.00 55.06 53.89 3bqc s HIS 29 Cb 0.19 -4.10 0.01 0.00 0.04 0.00 0.00 32.58 28.71 3bqc s HIS 29 CO 0.58 -4.20 0.53 0.08 -2.34 0.00 0.00 174.74 169.39 3bqc s VAL 30 N 1.35 4.98 0.30 0.89 1.01 -1.26 -5.05 120.40 122.61 3bqc s VAL 30 Ca 0.75 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.62 3bqc s VAL 30 Cb -0.48 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 31.77 3bqc s VAL 30 CO 0.32 -0.34 1.30 -0.69 0.00 0.00 0.00 175.10 175.69 3bqc s VAL 31 N 2.46 2.87 -0.33 2.92 1.01 -1.26 -5.00 120.40 123.07 3bqc s VAL 31 Ca 0.19 0.84 -0.10 0.00 0.00 0.00 0.00 61.98 62.90 3bqc s VAL 31 Cb -0.15 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3bqc s VAL 31 CO 0.15 0.18 0.17 -1.61 0.00 0.00 0.00 175.10 173.99 3bqc s GLU 32 N -1.35 3.18 -0.08 2.72 2.02 -1.26 -5.07 118.70 118.85 3bqc s GLU 32 Ca 0.51 -0.83 -0.18 0.00 0.02 0.00 0.00 54.97 54.48 3bqc s GLU 32 Cb -0.39 -3.62 -0.05 0.00 0.10 0.00 0.00 34.13 30.18 3bqc s GLU 32 CO 0.48 -0.50 0.49 -1.58 0.02 0.00 0.00 175.26 174.17 3bqc s TRP 33 N 1.60 3.57 0.00 1.61 0.52 -1.26 -4.55 118.94 120.42 3bqc s TRP 33 Ca 0.04 0.96 0.00 0.00 0.02 0.00 0.00 56.10 57.12 3bqc s TRP 33 Cb -0.18 -2.52 0.00 0.00 -1.15 0.00 0.00 33.47 29.62 3bqc s TRP 33 CO 0.06 0.27 0.00 0.41 0.02 0.00 0.00 176.95 177.71 3bqc n GLY 34 N 2.92 0.49 3.29 0.98 0.00 0.37 -5.01 105.19 108.22 3bqc n GLY 34 Ca -0.08 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 3bqc n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bqc s ASN 35 N -1.00 5.46 0.52 1.61 3.04 -1.26 -4.70 114.94 118.60 3bqc s ASN 35 Ca 0.00 -1.20 0.20 0.00 0.04 0.00 0.00 52.86 51.90 3bqc s ASN 35 Cb 0.00 -1.92 1.31 0.00 -1.54 0.00 0.00 41.25 39.10 3bqc s ASN 35 CO 0.00 -0.38 2.08 0.06 -3.04 0.00 0.00 177.10 175.81 3bqc h GLN 36 N 8.29 0.02 -0.04 0.43 -0.00 -1.94 -1.52 115.11 120.36 3bqc h GLN 36 Ca -0.23 -0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.43 3bqc h GLN 36 Cb 1.09 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.48 28.56 3bqc h GLN 36 CO 0.64 0.02 0.08 -0.44 -0.00 0.00 0.00 178.83 179.13 3bqc h ASP 37 N 0.02 0.00 0.59 0.06 3.32 -1.95 -2.14 116.42 116.33 3bqc h ASP 37 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3bqc h ASP 37 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3bqc h ASP 37 CO -0.00 0.00 0.00 0.44 -1.72 0.00 0.00 179.24 177.96 3bqc h ASP 38 N 0.00 0.00 -3.52 6.45 3.32 -1.67 -3.45 116.42 117.55 3bqc h ASP 38 Ca 0.02 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.45 3bqc h ASP 38 Cb 0.18 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 39.40 3bqc h ASP 38 CO -0.00 0.00 -0.86 -0.31 -1.72 0.00 0.00 179.24 176.35 3bqc s TYR 39 N -3.55 2.15 -0.17 4.55 1.51 -0.81 -0.06 117.35 120.97 3bqc s TYR 39 Ca 0.01 -0.80 -0.02 0.00 -1.01 0.00 0.00 57.07 55.25 3bqc s TYR 39 Cb 0.09 -1.46 -0.01 0.00 -0.11 0.00 0.00 41.96 40.47 3bqc s TYR 39 CO 0.40 -0.32 -0.09 -1.14 -1.11 0.00 0.00 175.55 173.28 3bqc s GLN 40 N 0.32 3.38 0.23 -0.62 0.74 -0.24 -4.95 119.66 118.51 3bqc s GLN 40 Ca -0.14 -0.66 -0.30 0.00 0.05 0.00 0.00 55.36 54.31 3bqc s GLN 40 Cb -0.16 -2.80 -0.09 0.00 1.10 0.00 0.00 33.01 31.07 3bqc s GLN 40 CO 0.06 0.02 1.03 -0.51 -0.55 0.00 0.00 175.29 175.34 3bqc s LEU 41 N 0.86 4.57 -0.14 3.68 1.43 -1.26 -1.31 118.68 126.51 3bqc s LEU 41 Ca -0.03 2.06 -0.04 0.00 -1.03 0.00 0.00 54.13 55.10 3bqc s LEU 41 Cb -0.15 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.38 3bqc s LEU 41 CO 0.01 -0.04 -0.16 0.52 0.23 0.00 0.00 176.35 176.91 3bqc n VAL 42 N 1.72 0.80 -3.64 -1.59 0.31 0.10 -4.94 118.33 111.09 3bqc n VAL 42 Ca -0.00 -0.25 -0.08 0.00 -0.01 0.00 0.00 64.34 64.00 3bqc n VAL 42 Cb 0.46 -1.37 -0.07 0.00 -0.91 0.00 0.00 33.84 31.95 3bqc n VAL 42 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3bqc s ARG 43 N -2.27 0.65 -0.15 5.55 3.52 -0.95 -5.00 118.95 120.30 3bqc s ARG 43 Ca -0.20 0.98 -0.29 0.00 -0.13 0.00 0.00 55.73 56.09 3bqc s ARG 43 Cb 0.06 0.21 -0.01 0.00 -1.56 0.00 0.00 34.95 33.65 3bqc s ARG 43 CO 0.29 -0.11 1.14 0.21 -0.81 0.00 0.00 175.30 176.01 3bqc s LYS 44 N 1.08 4.30 -0.09 5.12 2.20 -1.26 -0.29 119.74 130.80 3bqc s LYS 44 Ca -0.06 1.53 0.12 0.00 -0.36 0.00 0.00 55.97 57.20 3bqc s LYS 44 Cb -0.05 -3.64 -0.24 0.00 -1.51 0.00 0.00 37.83 32.40 3bqc s LYS 44 CO -0.12 -0.56 0.50 1.28 -0.36 0.00 0.00 175.35 176.09 3bqc n LEU 45 N 5.92 0.89 -3.58 5.43 4.77 0.78 -4.91 117.00 126.30 3bqc n LEU 45 Ca 0.12 0.30 -0.05 0.00 -0.03 0.00 0.00 56.01 56.35 3bqc n LEU 45 Cb 0.46 0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.64 3bqc n LEU 45 CO 0.54 0.46 0.90 -0.83 -1.33 0.00 0.00 177.39 177.13 3bqc s GLY 46 N -5.26 -0.36 -0.05 -0.72 0.00 -1.02 -5.00 107.32 94.91 3bqc s GLY 46 Ca -0.08 1.22 -0.02 0.00 0.00 0.00 0.00 44.72 45.84 3bqc s GLY 46 CO 0.82 0.39 0.11 -1.60 0.00 0.00 0.00 173.10 172.82 3bqc s ARG 47 N -2.70 0.07 0.00 2.90 3.52 -1.26 -0.31 118.95 121.17 3bqc s ARG 47 Ca 0.09 0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.97 3bqc s ARG 47 Cb -0.00 -0.15 0.00 0.00 -1.56 0.00 0.00 34.95 33.23 3bqc s ARG 47 CO -0.05 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 174.71 3bqc n GLY 48 N 3.99 4.19 0.24 8.12 0.00 0.73 -5.00 105.19 117.46 3bqc n GLY 48 Ca -0.24 -2.17 0.11 0.00 0.00 0.00 0.00 46.02 43.71 3bqc n GLY 48 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3bqc h LYS 49 N 0.00 0.00 -0.00 1.61 3.64 -2.03 -3.29 116.57 116.49 3bqc h LYS 49 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3bqc h LYS 49 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3bqc h LYS 49 CO 0.00 0.17 -0.24 0.66 -2.27 0.00 0.00 179.45 177.77 3bqc n TYR 50 N -3.66 0.00 -3.58 1.91 4.02 -1.26 -4.87 117.16 109.73 3bqc n TYR 50 Ca -0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.80 3bqc n TYR 50 Cb 0.30 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.60 3bqc n TYR 50 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3bqc s SER 51 N -1.39 -0.34 -0.03 7.72 1.04 -1.24 -0.10 113.70 119.36 3bqc s SER 51 Ca 0.04 -0.14 0.06 0.00 0.48 0.00 0.00 55.95 56.40 3bqc s SER 51 Cb 0.05 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 3bqc s SER 51 CO 0.23 -0.78 -0.22 -1.61 0.98 0.00 0.00 173.24 171.84 3bqc s GLU 52 N -3.29 2.29 -0.06 4.02 2.02 -0.79 -0.20 118.70 122.69 3bqc s GLU 52 Ca 0.07 -0.86 0.05 0.00 0.02 0.00 0.00 54.97 54.25 3bqc s GLU 52 Cb -0.01 -2.16 -0.02 0.00 0.10 0.00 0.00 34.13 32.04 3bqc s GLU 52 CO -0.06 0.55 -0.20 0.08 0.02 0.00 0.00 175.26 175.66 3bqc s VAL 53 N -0.58 2.54 0.01 2.63 1.01 0.58 -0.68 120.40 125.91 3bqc s VAL 53 Ca 0.09 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.21 3bqc s VAL 53 Cb -0.11 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 3bqc s VAL 53 CO -0.00 0.57 -0.11 -0.36 0.00 0.00 0.00 175.10 175.20 3bqc s PHE 54 N -0.32 0.98 0.16 5.22 0.40 0.61 -0.16 117.98 124.88 3bqc s PHE 54 Ca 0.02 -0.25 -0.30 0.00 -0.60 0.00 0.00 56.93 55.80 3bqc s PHE 54 Cb -0.13 -0.61 -0.07 0.00 0.51 0.00 0.00 43.02 42.72 3bqc s PHE 54 CO 0.02 -0.01 1.14 -2.00 0.70 0.00 0.00 175.22 175.07 3bqc s GLU 55 N -0.61 4.54 0.27 0.44 2.12 0.60 -1.09 118.70 124.97 3bqc s GLU 55 Ca 0.02 1.76 0.00 0.00 0.36 0.00 0.00 54.97 57.11 3bqc s GLU 55 Cb -0.06 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 31.03 3bqc s GLU 55 CO 0.00 -0.02 0.28 0.00 -0.54 0.00 0.00 175.26 174.99 3bqc s ALA 56 N 0.01 1.16 -0.01 6.30 0.00 -0.60 0.02 121.76 128.64 3bqc s ALA 56 Ca 0.52 -1.70 0.03 0.00 0.00 0.00 0.00 51.96 50.80 3bqc s ALA 56 Cb -0.30 1.34 -0.00 0.00 0.00 0.00 0.00 23.12 24.16 3bqc s ALA 56 CO 0.34 -0.68 -0.08 -1.50 0.00 0.00 0.00 175.76 173.84 3bqc s ILE 57 N -3.70 0.68 -0.60 0.00 2.07 -0.43 -1.18 121.20 118.05 3bqc s ILE 57 Ca 0.36 -0.35 -0.20 0.00 -1.41 0.00 0.00 60.65 59.05 3bqc s ILE 57 Cb 0.03 -0.58 0.08 0.00 0.13 0.00 0.00 42.46 42.12 3bqc s ILE 57 CO 0.18 0.20 0.78 0.21 -1.91 0.00 0.00 174.94 174.41 3bqc s ASN 58 N -0.07 6.19 0.03 4.50 3.84 -0.10 -1.08 114.94 128.25 3bqc s ASN 58 Ca 0.01 -1.16 0.13 0.00 0.21 0.00 0.00 52.86 52.05 3bqc s ASN 58 Cb -0.05 -2.34 0.57 0.00 -0.55 0.00 0.00 41.25 38.88 3bqc s ASN 58 CO -0.00 -1.19 1.42 2.30 -2.79 0.00 0.00 177.10 176.85 3bqc n ILE 59 N 5.70 1.13 0.35 -5.21 -5.35 0.92 0.09 119.36 116.99 3bqc n ILE 59 Ca -0.07 0.29 0.12 0.00 -0.27 0.00 0.00 62.75 62.83 3bqc n ILE 59 Cb 0.44 -1.10 0.21 0.00 -1.74 0.00 0.00 39.64 37.45 3bqc n ILE 59 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 3bqc h THR 60 N 0.00 0.00 0.00 7.28 1.35 -1.92 -3.35 112.91 116.27 3bqc h THR 60 Ca 0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 3bqc h THR 60 Cb 0.22 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 3bqc h THR 60 CO 0.00 0.00 -0.03 -0.46 -0.25 0.00 0.00 175.52 174.78 3bqc n ASN 61 N -2.71 0.42 0.00 5.36 0.23 -0.84 -5.02 115.26 112.69 3bqc n ASN 61 Ca 0.04 -1.27 0.00 0.00 -0.53 0.00 0.00 54.58 52.81 3bqc n ASN 61 Cb 0.50 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 3bqc n ASN 61 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3bqc n ASN 62 N -0.12 -2.97 -4.84 0.53 5.15 0.11 -4.97 115.26 108.16 3bqc n ASN 62 Ca 0.00 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.64 3bqc n ASN 62 Cb 0.46 -2.49 -0.06 0.00 -0.53 0.00 0.00 39.78 37.16 3bqc n ASN 62 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3bqc s GLU 63 N -1.24 4.09 0.45 1.20 2.02 -1.18 -4.78 118.70 119.26 3bqc s GLU 63 Ca 0.00 0.70 -0.23 0.00 0.02 0.00 0.00 54.97 55.46 3bqc s GLU 63 Cb 0.00 -2.69 -0.08 0.00 0.10 0.00 0.00 34.13 31.46 3bqc s GLU 63 CO 0.00 0.30 1.13 0.15 0.02 0.00 0.00 175.26 176.86 3bqc s LYS 64 N -2.44 3.84 0.22 1.61 1.02 -1.26 -0.92 119.74 121.82 3bqc s LYS 64 Ca 0.47 1.68 -0.04 0.00 0.02 0.00 0.00 55.97 58.10 3bqc s LYS 64 Cb -0.13 -2.41 -0.03 0.00 -0.52 0.00 0.00 37.83 34.74 3bqc s LYS 64 CO 0.19 -0.46 0.23 0.14 -0.92 0.00 0.00 175.35 174.54 3bqc s VAL 65 N -1.61 0.00 -0.09 3.17 -7.23 -0.32 -3.66 120.40 110.66 3bqc s VAL 65 Ca 0.63 -1.84 0.03 0.00 -1.81 0.00 0.00 61.98 58.99 3bqc s VAL 65 Cb -0.26 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.24 3bqc s VAL 65 CO 0.32 0.00 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.21 3bqc s VAL 66 N -4.06 2.39 -0.13 1.32 1.01 -0.56 -1.56 120.40 118.81 3bqc s VAL 66 Ca 0.35 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.42 3bqc s VAL 66 Cb 0.05 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 3bqc s VAL 66 CO 0.12 0.56 -0.16 -0.69 0.00 0.00 0.00 175.10 174.92 3bqc s VAL 67 N 0.14 2.71 -0.29 2.92 1.01 -0.25 -0.22 120.40 126.42 3bqc s VAL 67 Ca -0.11 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.11 3bqc s VAL 67 Cb -0.16 -2.12 0.06 0.00 0.00 0.00 0.00 36.38 34.17 3bqc s VAL 67 CO 0.06 0.53 -0.05 -0.75 0.00 0.00 0.00 175.10 174.89 3bqc s LYS 68 N 0.48 2.18 -0.34 2.72 2.20 0.43 -0.28 119.74 127.13 3bqc s LYS 68 Ca -0.11 -1.41 -0.18 0.00 -0.36 0.00 0.00 55.97 53.90 3bqc s LYS 68 Cb -0.16 -3.03 -0.01 0.00 -1.51 0.00 0.00 37.83 33.12 3bqc s LYS 68 CO 0.05 -0.65 0.51 0.42 -0.36 0.00 0.00 175.35 175.32 3bqc s ILE 69 N 1.11 5.02 -0.03 5.43 1.01 0.15 -0.86 121.20 133.03 3bqc s ILE 69 Ca -0.05 0.43 -0.30 0.00 0.00 0.00 0.00 60.65 60.73 3bqc s ILE 69 Cb -0.20 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 3bqc s ILE 69 CO -0.04 -0.17 1.13 -0.76 0.00 0.00 0.00 174.94 175.09 3bqc s LEU 70 N 2.39 4.31 0.49 2.97 1.43 -0.50 -1.89 118.68 127.87 3bqc s LEU 70 Ca 0.19 1.78 -0.22 0.00 -1.03 0.00 0.00 54.13 54.85 3bqc s LEU 70 Cb -0.15 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.43 3bqc s LEU 70 CO 0.13 -0.48 1.16 -0.54 0.23 0.00 0.00 176.35 176.84 3bqc s LYS 71 N 1.72 3.61 0.08 1.70 -0.14 0.85 -4.62 119.74 122.94 3bqc s LYS 71 Ca 0.54 1.72 -0.35 0.00 -1.36 0.00 0.00 55.97 56.53 3bqc s LYS 71 Cb -0.24 -2.27 -0.14 0.00 -1.68 0.00 0.00 37.83 33.50 3bqc s LYS 71 CO 0.24 -0.66 1.59 -0.35 -0.76 0.00 0.00 175.35 175.40 3bqc n PRO 72 N -0.78 1.88 0.00 -1.68 -0.04 -1.26 -4.79 135.00 128.34 3bqc n PRO 72 Ca 0.09 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 3bqc n PRO 72 Cb 0.49 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 3bqc n PRO 72 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3bqc n VAL 73 N 3.58 0.00 -3.41 0.52 0.31 -1.26 -5.05 118.33 113.02 3bqc n VAL 73 Ca 0.19 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.53 3bqc n VAL 73 Cb 0.26 -0.09 -0.03 0.00 -0.91 0.00 0.00 33.84 33.07 3bqc n VAL 73 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3bqc s LYS 74 N -0.55 0.48 0.45 5.55 1.02 -1.26 -5.04 119.74 120.40 3bqc s LYS 74 Ca 0.00 1.07 0.34 0.00 0.02 0.00 0.00 55.97 57.40 3bqc s LYS 74 Cb 0.00 0.63 1.51 0.00 -0.52 0.00 0.00 37.83 39.45 3bqc s LYS 74 CO 0.00 -0.30 1.58 -0.22 -0.92 0.00 0.00 175.35 175.49 3bqc h LYS 75 N 7.89 0.01 -0.14 1.68 3.64 -1.99 0.51 116.57 128.18 3bqc h LYS 75 Ca -0.18 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.21 3bqc h LYS 75 Cb 1.13 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 3bqc h LYS 75 CO 0.12 0.01 0.02 -0.22 -2.27 0.00 0.00 179.45 177.11 3bqc h LYS 76 N 0.01 0.08 0.00 1.90 3.64 -1.99 -2.46 116.57 117.75 3bqc h LYS 76 Ca 0.88 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 60.20 3bqc h LYS 76 Cb 2.89 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 34.69 3bqc h LYS 76 CO -0.42 0.05 -0.27 -0.22 -2.27 0.00 0.00 179.45 176.32 3bqc h LYS 77 N 0.08 0.00 0.09 1.90 3.64 -0.39 -1.37 116.57 120.52 3bqc h LYS 77 Ca 0.06 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3bqc h LYS 77 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3bqc h LYS 77 CO -0.09 0.27 -0.04 0.82 -2.27 0.00 0.00 179.45 178.14 3bqc h ILE 78 N 0.00 1.17 -0.12 2.00 2.04 -1.17 -2.37 117.51 119.06 3bqc h ILE 78 Ca -0.00 -1.14 -0.03 0.00 1.00 0.00 0.00 64.86 64.69 3bqc h ILE 78 Cb 0.53 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 3bqc h ILE 78 CO 0.04 0.27 -0.08 0.11 0.00 0.00 0.00 178.15 178.49 3bqc h LYS 79 N -0.66 0.18 -0.05 2.37 1.57 -1.34 -1.37 116.57 117.26 3bqc h LYS 79 Ca -0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3bqc h LYS 79 Cb 0.53 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 3bqc h LYS 79 CO 0.02 0.27 0.00 -0.09 -0.57 0.00 0.00 179.45 179.08 3bqc h ARG 80 N 0.17 0.09 -0.37 3.15 2.43 -1.23 1.00 114.38 119.62 3bqc h ARG 80 Ca 0.04 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3bqc h ARG 80 Cb 0.26 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 3bqc h ARG 80 CO 0.01 0.35 0.16 1.49 -1.51 0.00 0.00 179.97 180.47 3bqc h GLU 81 N -0.18 0.55 0.07 0.20 4.81 -1.15 -1.10 114.58 117.78 3bqc h GLU 81 Ca 0.02 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3bqc h GLU 81 Cb 0.30 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3bqc h GLU 81 CO 0.00 0.52 -0.12 0.82 -0.73 0.00 0.00 179.01 179.51 3bqc h ILE 82 N 0.46 0.73 -0.63 2.32 2.04 -1.17 0.03 117.51 121.28 3bqc h ILE 82 Ca 0.12 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 3bqc h ILE 82 Cb 0.17 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3bqc h ILE 82 CO -0.01 0.00 0.33 0.50 0.00 0.00 0.00 178.15 178.97 3bqc h LYS 83 N -0.23 0.88 -0.25 2.37 1.63 -0.71 -0.50 116.57 119.76 3bqc h LYS 83 Ca 0.02 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 3bqc h LYS 83 Cb 0.25 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 3bqc h LYS 83 CO -0.06 0.68 0.17 0.82 -3.45 0.00 0.00 179.45 177.60 3bqc h ILE 84 N 0.86 1.07 -0.87 2.00 2.04 -1.04 0.62 117.51 122.18 3bqc h ILE 84 Ca 0.22 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.97 3bqc h ILE 84 Cb 0.06 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 3bqc h ILE 84 CO -0.03 0.07 0.57 -0.07 0.00 0.00 0.00 178.15 178.69 3bqc h LEU 85 N 0.34 0.98 -0.46 1.44 3.38 -0.64 -1.09 115.31 119.26 3bqc h LEU 85 Ca 0.09 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 3bqc h LEU 85 Cb -0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3bqc h LEU 85 CO -0.02 0.70 -0.26 -0.33 0.09 0.00 0.00 178.44 178.62 3bqc h GLU 86 N 1.15 0.98 -0.81 1.13 5.08 -0.81 -2.10 114.58 119.21 3bqc h GLU 86 Ca 0.33 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3bqc h GLU 86 Cb -0.09 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 3bqc h GLU 86 CO -0.09 1.12 0.41 -0.91 -1.00 0.00 0.00 179.01 178.54 3bqc h ASN 87 N 0.83 1.04 0.22 1.42 2.35 -0.52 -3.05 115.58 117.86 3bqc h ASN 87 Ca 0.10 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3bqc h ASN 87 Cb 0.84 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.95 3bqc h ASN 87 CO 0.07 0.86 -0.22 0.18 -1.65 0.00 0.00 177.43 176.67 3bqc n LEU 88 N -4.32 1.04 -4.73 1.61 4.77 -0.44 -4.97 117.00 109.95 3bqc n LEU 88 Ca 0.08 -0.27 -0.42 0.00 -0.03 0.00 0.00 56.01 55.37 3bqc n LEU 88 Cb 0.13 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 3bqc n LEU 88 CO 0.39 0.19 1.23 -1.14 -1.33 0.00 0.00 177.39 176.73 3bqc n ARG 89 N -0.57 2.60 -0.15 3.23 0.63 -0.80 -1.64 116.66 119.97 3bqc n ARG 89 Ca 0.13 0.93 0.00 0.00 -0.92 0.00 0.00 57.85 57.99 3bqc n ARG 89 Cb 0.34 -2.70 0.00 0.00 0.45 0.00 0.00 32.46 30.55 3bqc n ARG 89 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3bqc n GLY 90 N 2.45 1.83 3.75 5.14 0.00 -1.26 -5.05 105.19 112.05 3bqc n GLY 90 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3bqc n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bqc s GLY 91 N -1.93 2.18 -0.08 -0.02 0.00 -0.65 -4.91 107.32 101.91 3bqc s GLY 91 Ca 0.00 0.66 -0.33 0.00 0.00 0.00 0.00 44.72 45.06 3bqc s GLY 91 CO 0.00 1.04 1.95 -1.05 0.00 0.00 0.00 173.10 175.04 3bqc n PRO 92 N -2.68 2.31 -1.56 2.90 -0.02 -1.26 -2.65 135.00 132.05 3bqc n PRO 92 Ca 0.12 0.83 -0.18 0.00 -2.02 0.00 0.00 63.50 62.25 3bqc n PRO 92 Cb 0.51 -2.79 -0.07 0.00 -0.02 0.00 0.00 33.50 31.14 3bqc n PRO 92 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3bqc n ASN 93 N 7.44 -5.14 -4.75 2.55 3.02 -1.26 -3.50 115.26 113.62 3bqc n ASN 93 Ca 0.23 0.42 -0.38 0.00 -0.03 0.00 0.00 54.58 54.82 3bqc n ASN 93 Cb 0.33 -4.20 -0.06 0.00 -0.61 0.00 0.00 39.78 35.24 3bqc n ASN 93 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3bqc s ILE 94 N -2.67 5.18 0.34 2.41 -1.09 -1.08 -0.74 121.20 123.55 3bqc s ILE 94 Ca 0.00 0.86 -0.28 0.00 -2.23 0.00 0.00 60.65 58.99 3bqc s ILE 94 Cb 0.00 -3.76 -0.12 0.00 -1.58 0.00 0.00 42.46 37.00 3bqc s ILE 94 CO 0.00 0.39 1.40 0.00 -1.23 0.00 0.00 174.94 175.50 3bqc n ILE 95 N 3.28 1.82 -3.46 2.92 0.13 -1.04 -4.78 119.36 118.24 3bqc n ILE 95 Ca -0.09 -0.46 -0.39 0.00 -1.10 0.00 0.00 62.75 60.71 3bqc n ILE 95 Cb 0.52 -1.74 -0.10 0.00 -0.84 0.00 0.00 39.64 37.48 3bqc n ILE 95 CO 0.00 0.00 0.00 -0.89 2.80 0.00 0.00 176.55 178.46 3bqc s THR 96 N -0.91 5.22 -0.35 9.51 2.01 -1.26 -4.87 115.64 124.99 3bqc s THR 96 Ca 0.56 0.43 -0.29 0.00 0.31 0.00 0.00 61.69 62.71 3bqc s THR 96 Cb -0.54 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.35 3bqc s THR 96 CO 0.60 0.19 1.11 -0.22 -0.69 0.00 0.00 174.62 175.62 3bqc s LEU 97 N 1.95 3.86 -0.05 4.42 2.96 -1.26 -1.56 118.68 129.00 3bqc s LEU 97 Ca 0.12 0.94 0.08 0.00 -0.22 0.00 0.00 54.13 55.05 3bqc s LEU 97 Cb -0.16 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.75 3bqc s LEU 97 CO 0.10 -0.98 0.65 0.00 -1.32 0.00 0.00 176.35 174.80 3bqc h ALA 98 N 8.46 0.66 -2.49 5.97 0.00 -0.62 -3.48 119.26 127.77 3bqc h ALA 98 Ca -0.22 -1.40 0.11 0.00 0.00 0.00 0.00 54.91 53.40 3bqc h ALA 98 Cb 1.06 0.48 -0.12 0.00 0.00 0.00 0.00 17.79 19.22 3bqc h ALA 98 CO 1.05 1.49 0.42 0.34 0.00 0.00 0.00 179.25 182.55 3bqc s ASP 99 N -6.36 -0.33 -0.06 0.00 -1.08 -0.93 -5.01 116.67 102.91 3bqc s ASP 99 Ca -0.08 -0.18 -0.00 0.00 -0.52 0.00 0.00 52.55 51.76 3bqc s ASP 99 Cb 0.08 0.48 0.03 0.00 -1.46 0.00 0.00 42.92 42.05 3bqc s ASP 99 CO 0.82 -0.83 -0.01 -0.63 0.52 0.00 0.00 175.17 175.03 3bqc s ILE 100 N -3.35 0.41 0.16 4.11 1.01 -1.26 -0.79 121.20 121.50 3bqc s ILE 100 Ca 0.07 0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.80 3bqc s ILE 100 Cb -0.02 -0.52 -0.05 0.00 0.01 0.00 0.00 42.46 41.89 3bqc s ILE 100 CO -0.05 0.24 -0.07 0.68 0.00 0.00 0.00 174.94 175.74 3bqc s VAL 101 N 1.54 1.07 -0.24 2.92 -7.23 -0.29 -0.48 120.40 117.69 3bqc s VAL 101 Ca -0.02 -2.04 -0.19 0.00 -1.81 0.00 0.00 61.98 57.93 3bqc s VAL 101 Cb -0.13 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 3bqc s VAL 101 CO -0.03 -0.65 0.54 -0.54 -0.31 0.00 0.00 175.10 174.11 3bqc s LYS 102 N -3.79 4.12 0.03 4.82 1.02 -1.26 0.20 119.74 124.87 3bqc s LYS 102 Ca 0.19 0.41 -0.30 0.00 0.02 0.00 0.00 55.97 56.29 3bqc s LYS 102 Cb 0.04 -3.62 -0.05 0.00 -0.52 0.00 0.00 37.83 33.67 3bqc s LYS 102 CO 0.02 -0.30 1.28 0.34 -0.92 0.00 0.00 175.35 175.76 3bqc s ASP 103 N 1.40 6.98 0.53 2.83 2.15 -0.36 -4.75 116.67 125.45 3bqc s ASP 103 Ca 0.23 2.05 0.31 0.00 0.43 0.00 0.00 52.55 55.57 3bqc s ASP 103 Cb -0.16 -2.57 1.43 0.00 -0.30 0.00 0.00 42.92 41.32 3bqc s ASP 103 CO 0.09 -0.58 2.03 1.55 -0.17 0.00 0.00 175.17 178.09 3bqc h PRO 104 N 7.18 0.00 0.03 4.34 0.13 -1.97 -1.02 132.00 140.69 3bqc h PRO 104 Ca -0.39 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.40 3bqc h PRO 104 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 3bqc h PRO 104 CO 0.86 0.10 -1.86 0.28 -0.23 0.00 0.00 178.00 177.14 3bqc n VAL 105 N -3.35 1.58 0.16 1.56 0.31 -1.26 -4.38 118.33 112.96 3bqc n VAL 105 Ca -0.01 -0.30 0.05 0.00 -0.01 0.00 0.00 64.34 64.07 3bqc n VAL 105 Cb 0.28 -1.88 0.10 0.00 -0.91 0.00 0.00 33.84 31.44 3bqc n VAL 105 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3bqc h SER 106 N -0.68 0.00 -2.44 4.52 4.64 -1.98 -3.47 113.55 114.14 3bqc h SER 106 Ca -0.48 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.51 3bqc h SER 106 Cb 1.59 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.67 3bqc h SER 106 CO -0.19 0.37 -0.43 0.54 -0.87 0.00 0.00 176.83 176.25 3bqc n ARG 107 N -3.22 -1.52 -4.35 4.77 1.74 -0.39 -5.00 116.66 108.68 3bqc n ARG 107 Ca 0.02 0.79 -0.18 0.00 -0.77 0.00 0.00 57.85 57.71 3bqc n ARG 107 Cb 0.66 -5.20 -0.10 0.00 -1.02 0.00 0.00 32.46 26.80 3bqc n ARG 107 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3bqc s THR 108 N -2.84 1.07 0.39 0.55 -4.23 -1.24 -4.94 115.64 104.39 3bqc s THR 108 Ca 0.02 -2.03 -0.26 0.00 -1.18 0.00 0.00 61.69 58.24 3bqc s THR 108 Cb -0.01 -2.44 -0.09 0.00 1.34 0.00 0.00 72.50 71.30 3bqc s THR 108 CO 0.02 -0.25 1.23 -2.84 -0.54 0.00 0.00 174.62 172.25 3bqc s PRO 109 N -3.87 4.10 -0.15 3.99 0.02 -1.26 -1.23 135.00 136.60 3bqc s PRO 109 Ca 0.30 2.01 0.02 0.00 0.02 0.00 0.00 61.00 63.35 3bqc s PRO 109 Cb 0.06 -2.79 0.01 0.00 0.02 0.00 0.00 34.50 31.80 3bqc s PRO 109 CO 0.10 -0.34 -0.21 0.00 -0.33 0.00 0.00 177.00 176.23 3bqc s ALA 110 N -1.30 2.20 -0.04 -1.55 0.00 0.13 -1.41 121.76 119.79 3bqc s ALA 110 Ca 0.55 -1.08 -0.19 0.00 0.00 0.00 0.00 51.96 51.24 3bqc s ALA 110 Cb -0.35 -1.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.69 3bqc s ALA 110 CO 0.45 -0.13 0.54 -0.51 0.00 0.00 0.00 175.76 176.10 3bqc s LEU 111 N 0.97 4.38 -0.20 0.00 1.43 -0.04 -1.13 118.68 124.10 3bqc s LEU 111 Ca -0.04 1.03 -0.04 0.00 -1.03 0.00 0.00 54.13 54.06 3bqc s LEU 111 Cb -0.15 -2.81 -0.02 0.00 0.03 0.00 0.00 46.19 43.25 3bqc s LEU 111 CO -0.05 0.10 -0.04 -0.69 0.23 0.00 0.00 176.35 175.90 3bqc s VAL 112 N -0.08 3.54 0.13 -1.59 1.01 0.03 -0.43 120.40 123.02 3bqc s VAL 112 Ca 0.29 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.89 3bqc s VAL 112 Cb -0.17 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 3bqc s VAL 112 CO 0.15 0.44 -0.08 -0.36 0.00 0.00 0.00 175.10 175.25 3bqc s PHE 113 N 1.14 2.76 0.24 5.22 0.08 0.70 0.15 117.98 128.27 3bqc s PHE 113 Ca 0.02 -0.16 -0.27 0.00 0.12 0.00 0.00 56.93 56.65 3bqc s PHE 113 Cb -0.15 -1.41 -0.17 0.00 -0.57 0.00 0.00 43.02 40.73 3bqc s PHE 113 CO -0.00 0.46 0.43 -0.85 -0.10 0.00 0.00 175.22 175.16 3bqc n GLU 114 N 0.44 0.01 -2.00 0.44 0.28 -0.60 -1.49 120.64 117.72 3bqc n GLU 114 Ca -0.12 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.47 3bqc n GLU 114 Cb 0.53 -1.01 -0.02 0.00 1.43 0.00 0.00 31.44 32.38 3bqc n GLU 114 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3bqc s HIS 115 N -1.15 2.96 0.06 -1.84 5.65 -1.24 -4.31 115.29 115.41 3bqc s HIS 115 Ca 0.63 1.13 0.06 0.00 0.25 0.00 0.00 55.06 57.13 3bqc s HIS 115 Cb -0.87 -3.82 -0.03 0.00 -1.18 0.00 0.00 32.58 26.69 3bqc s HIS 115 CO 0.57 -2.55 -0.17 0.14 -0.65 0.00 0.00 174.74 172.09 3bqc s VAL 116 N -0.43 1.32 0.27 0.89 -7.23 -1.26 -5.02 120.40 108.93 3bqc s VAL 116 Ca 0.56 -1.18 -0.29 0.00 -1.81 0.00 0.00 61.98 59.26 3bqc s VAL 116 Cb -0.42 -1.20 -0.14 0.00 0.56 0.00 0.00 36.38 35.18 3bqc s VAL 116 CO 0.48 -0.01 1.06 -3.20 -0.31 0.00 0.00 175.10 173.12 3bqc n ASN 117 N 1.65 1.39 -3.57 4.85 5.15 -1.26 -4.85 115.26 118.61 3bqc n ASN 117 Ca -0.19 1.17 -0.41 0.00 -0.60 0.00 0.00 54.58 54.56 3bqc n ASN 117 Cb 0.54 -1.29 -0.01 0.00 -0.53 0.00 0.00 39.78 38.49 3bqc n ASN 117 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3bqc n ASN 118 N 1.39 5.93 -3.59 1.20 4.05 -1.26 -4.74 115.26 118.23 3bqc n ASN 118 Ca 0.10 -2.77 -0.17 0.00 0.45 0.00 0.00 54.58 52.20 3bqc n ASN 118 Cb 0.31 -1.60 -0.14 0.00 1.23 0.00 0.00 39.78 39.58 3bqc n ASN 118 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3bqc s THR 119 N 2.46 -0.32 0.58 -0.44 2.01 -1.26 -5.13 115.64 113.54 3bqc s THR 119 Ca 0.55 0.13 -0.03 0.00 0.31 0.00 0.00 61.69 62.65 3bqc s THR 119 Cb 0.15 -0.50 0.03 0.00 0.01 0.00 0.00 72.50 72.19 3bqc s THR 119 CO -0.07 -0.02 0.85 1.51 -0.69 0.00 0.00 174.62 176.20 3bqc s ASP 120 N 2.34 5.33 0.43 3.53 1.47 -1.26 -1.68 116.67 126.82 3bqc s ASP 120 Ca 0.04 0.35 0.20 0.00 1.18 0.00 0.00 52.55 54.32 3bqc s ASP 120 Cb -0.14 -1.26 0.96 0.00 -0.34 0.00 0.00 42.92 42.14 3bqc s ASP 120 CO -0.09 -1.17 1.88 0.15 0.68 0.00 0.00 175.17 176.63 3bqc h PHE 121 N -0.11 0.00 -0.03 2.11 3.57 -0.68 -2.33 116.94 119.47 3bqc h PHE 121 Ca -0.44 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.02 3bqc h PHE 121 Cb 1.28 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 3bqc h PHE 121 CO 0.40 0.28 -0.16 -0.22 -2.23 0.00 0.00 178.31 176.38 3bqc h LYS 122 N 0.00 0.05 0.00 1.11 3.64 -1.84 0.24 116.57 119.78 3bqc h LYS 122 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3bqc h LYS 122 Cb 0.61 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3bqc h LYS 122 CO 0.04 0.22 0.00 1.96 -2.27 0.00 0.00 179.45 179.39 3bqc h GLN 123 N 0.05 0.00 0.00 1.90 4.20 -1.78 -3.35 115.11 116.13 3bqc h GLN 123 Ca 0.01 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.60 3bqc h GLN 123 Cb 0.32 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 3bqc h GLN 123 CO 0.02 0.00 -1.46 1.28 -0.67 0.00 0.00 178.83 178.00 3bqc n LEU 124 N -3.00 1.11 0.06 1.46 4.77 -0.77 -4.83 117.00 115.80 3bqc n LEU 124 Ca 0.02 -0.02 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 3bqc n LEU 124 Cb 0.36 -0.01 0.39 0.00 -2.33 0.00 0.00 43.42 41.83 3bqc n LEU 124 CO 0.28 0.34 0.78 0.00 -1.33 0.00 0.00 177.39 177.47 3bqc n TYR 125 N -2.43 0.36 1.13 -1.77 -0.00 0.79 -0.98 117.16 114.26 3bqc n TYR 125 Ca -0.12 0.14 0.11 0.00 -0.00 0.00 0.00 57.90 58.03 3bqc n TYR 125 Cb 0.69 -0.73 0.35 0.00 -0.00 0.00 0.00 39.34 39.65 3bqc n TYR 125 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 3bqc n GLN 126 N -1.83 1.82 0.00 -3.48 1.13 -1.26 -4.19 117.38 109.57 3bqc n GLN 126 Ca 0.03 -1.23 0.00 0.00 -1.94 0.00 0.00 57.00 53.86 3bqc n GLN 126 Cb 0.19 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.14 3bqc n GLN 126 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3bqc n THR 127 N 0.45 0.42 -2.43 5.09 -2.24 -0.15 -5.06 114.28 110.36 3bqc n THR 127 Ca 0.16 -0.47 -0.34 0.00 -2.27 0.00 0.00 64.05 61.13 3bqc n THR 127 Cb 0.36 0.89 -0.02 0.00 -2.10 0.00 0.00 70.33 69.46 3bqc n THR 127 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3bqc s LEU 128 N -0.42 3.80 0.80 3.22 1.43 -1.21 -5.05 118.68 121.25 3bqc s LEU 128 Ca 0.00 2.01 -0.11 0.00 -1.03 0.00 0.00 54.13 55.00 3bqc s LEU 128 Cb 0.00 -4.57 0.07 0.00 0.03 0.00 0.00 46.19 41.73 3bqc s LEU 128 CO 0.00 -0.95 1.09 0.42 0.23 0.00 0.00 176.35 177.14 3bqc s THR 129 N -1.92 3.13 0.19 5.49 -4.23 -1.26 -4.83 115.64 112.20 3bqc s THR 129 Ca 0.69 0.37 -0.15 0.00 -1.18 0.00 0.00 61.69 61.41 3bqc s THR 129 Cb -0.19 -3.02 0.16 0.00 1.34 0.00 0.00 72.50 70.78 3bqc s THR 129 CO 0.23 -0.48 1.65 -0.78 -0.54 0.00 0.00 174.62 174.70 3bqc h ASP 130 N -1.15 -0.47 -0.38 3.99 3.58 -1.93 -0.72 116.42 119.34 3bqc h ASP 130 Ca -0.47 0.15 0.04 0.00 0.42 0.00 0.00 57.03 57.17 3bqc h ASP 130 Cb 1.26 0.31 -0.04 0.00 1.72 0.00 0.00 39.33 42.58 3bqc h ASP 130 CO 0.57 -0.17 0.15 0.22 -2.88 0.00 0.00 179.24 177.13 3bqc h TYR 131 N 0.00 0.27 -0.17 0.28 3.20 -1.94 -2.25 116.97 116.36 3bqc h TYR 131 Ca 0.24 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.03 3bqc h TYR 131 Cb 0.37 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3bqc h TYR 131 CO -0.43 0.12 -0.34 -0.44 -1.64 0.00 0.00 178.16 175.43 3bqc h ASP 132 N 0.32 0.37 -0.24 -2.11 3.32 -1.76 -0.12 116.42 116.20 3bqc h ASP 132 Ca 0.17 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.10 3bqc h ASP 132 Cb 0.13 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3bqc h ASP 132 CO -0.16 0.69 0.12 0.40 -1.72 0.00 0.00 179.24 178.57 3bqc h ILE 133 N 0.31 0.99 -0.24 0.35 2.04 -0.69 0.01 117.51 120.27 3bqc h ILE 133 Ca 0.04 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.82 3bqc h ILE 133 Cb 0.75 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3bqc h ILE 133 CO 0.06 0.05 0.15 0.03 0.00 0.00 0.00 178.15 178.43 3bqc h ARG 134 N 0.25 0.30 0.02 2.37 3.08 -1.11 -0.36 114.38 118.92 3bqc h ARG 134 Ca 0.10 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.15 3bqc h ARG 134 Cb 0.03 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 3bqc h ARG 134 CO -0.07 0.20 -0.18 0.35 -1.07 0.00 0.00 179.97 179.20 3bqc h PHE 135 N 0.31 -0.48 -0.01 3.04 3.57 -0.70 -1.68 116.94 120.99 3bqc h PHE 135 Ca 0.09 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.45 3bqc h PHE 135 Cb -0.02 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 3bqc h PHE 135 CO -0.07 -0.26 -0.72 1.88 -2.23 0.00 0.00 178.31 176.90 3bqc h TYR 136 N -0.31 0.11 -0.73 0.41 0.05 -0.91 -2.22 116.97 113.38 3bqc h TYR 136 Ca 0.05 -0.05 0.02 0.00 0.05 0.00 0.00 58.73 58.80 3bqc h TYR 136 Cb 0.37 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.05 3bqc h TYR 136 CO -0.22 0.77 0.47 0.52 -1.05 0.00 0.00 178.16 178.65 3bqc h MET 137 N 0.05 0.90 -0.67 4.88 2.86 -0.92 -0.16 114.93 121.86 3bqc h MET 137 Ca -0.01 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.49 3bqc h MET 137 Cb 1.28 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.71 3bqc h MET 137 CO 0.10 0.59 0.10 -0.92 1.06 0.00 0.00 176.91 177.85 3bqc h TYR 138 N 0.92 1.19 -0.79 -0.22 3.20 -0.98 -0.60 116.97 119.69 3bqc h TYR 138 Ca 0.29 -0.17 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 3bqc h TYR 138 Cb -0.02 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 37.89 3bqc h TYR 138 CO -0.03 1.00 0.32 0.93 -1.64 0.00 0.00 178.16 178.73 3bqc h GLU 139 N 1.04 1.19 -0.66 1.82 4.39 -0.98 -1.81 114.58 119.58 3bqc h GLU 139 Ca 0.20 -0.22 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 3bqc h GLU 139 Cb 0.45 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 3bqc h GLU 139 CO 0.01 0.96 0.18 0.82 -1.16 0.00 0.00 179.01 179.83 3bqc h ILE 140 N 1.16 1.25 -0.64 3.13 2.04 -0.62 -2.89 117.51 120.94 3bqc h ILE 140 Ca 0.26 -0.90 0.01 0.00 1.00 0.00 0.00 64.86 65.23 3bqc h ILE 140 Cb 0.22 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 3bqc h ILE 140 CO -0.02 0.34 0.42 -0.07 0.00 0.00 0.00 178.15 178.83 3bqc h LEU 141 N 0.96 0.73 -0.69 1.44 3.38 -0.68 -1.61 115.31 118.85 3bqc h LEU 141 Ca 0.21 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.21 3bqc h LEU 141 Cb 0.33 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3bqc h LEU 141 CO -0.00 0.53 0.40 0.11 0.09 0.00 0.00 178.44 179.57 3bqc h LYS 142 N 0.87 0.73 -0.33 1.13 1.57 -1.12 0.13 116.57 119.55 3bqc h LYS 142 Ca 0.23 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 3bqc h LYS 142 Cb -0.10 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 3bqc h LYS 142 CO -0.05 0.49 0.05 0.00 -0.57 0.00 0.00 179.45 179.37 3bqc h ALA 143 N 1.33 0.44 -0.14 3.86 0.00 -1.28 -2.11 119.26 121.36 3bqc h ALA 143 Ca 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3bqc h ALA 143 Cb 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3bqc h ALA 143 CO -0.16 0.14 0.00 -0.07 0.00 0.00 0.00 179.25 179.17 3bqc h LEU 144 N 0.38 0.24 -1.31 0.00 3.38 -0.98 -1.05 115.31 115.96 3bqc h LEU 144 Ca 0.10 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3bqc h LEU 144 Cb 0.35 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3bqc h LEU 144 CO 0.01 0.48 0.26 -0.78 0.09 0.00 0.00 178.44 178.50 3bqc h ASP 145 N -0.01 0.65 0.21 -0.43 3.58 -0.79 -0.62 116.42 119.02 3bqc h ASP 145 Ca 0.04 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 3bqc h ASP 145 Cb 0.36 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.25 3bqc h ASP 145 CO 0.01 0.55 -0.10 0.22 -2.88 0.00 0.00 179.24 177.03 3bqc h TYR 146 N 0.73 -0.27 -0.53 0.28 3.20 -1.09 -0.29 116.97 119.01 3bqc h TYR 146 Ca 0.18 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.94 3bqc h TYR 146 Cb 0.07 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3bqc h TYR 146 CO 0.01 -0.12 -0.11 0.00 -1.64 0.00 0.00 178.16 176.30 3bqc h HIS 148 N 0.88 0.93 0.00 0.00 3.86 -0.92 -0.31 115.15 119.58 3bqc h HIS 148 Ca 0.14 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 3bqc h HIS 148 Cb 0.66 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.82 3bqc h HIS 148 CO 0.04 0.56 -0.05 0.66 0.86 0.00 0.00 177.93 180.00 3bqc h SER 149 N 0.98 0.00 -0.57 2.45 4.64 -0.48 -0.90 113.55 119.67 3bqc h SER 149 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3bqc h SER 149 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3bqc h SER 149 CO -0.08 0.05 0.00 0.23 -0.87 0.00 0.00 176.83 176.15 3bqc n MET 150 N -3.24 2.39 -0.98 4.77 2.81 -0.57 -4.94 117.12 117.36 3bqc n MET 150 Ca -0.01 -2.08 0.00 0.00 -1.81 0.00 0.00 57.70 53.80 3bqc n MET 150 Cb 0.24 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 3bqc n MET 150 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3bqc n GLY 151 N 1.38 0.56 3.07 3.03 0.00 -0.34 -4.94 105.19 107.95 3bqc n GLY 151 Ca 0.19 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 3bqc n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bqc s ILE 152 N -2.00 1.14 -0.08 -0.61 1.01 -0.23 -0.62 121.20 119.81 3bqc s ILE 152 Ca 0.00 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.10 3bqc s ILE 152 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 3bqc s ILE 152 CO 0.00 0.34 -0.07 0.00 0.00 0.00 0.00 174.94 175.20 3bqc s MET 153 N 0.14 2.84 -0.06 2.79 0.23 -0.28 -2.75 119.30 122.20 3bqc s MET 153 Ca -0.04 -0.56 -0.25 0.00 -1.03 0.00 0.00 55.69 53.80 3bqc s MET 153 Cb -0.10 -2.60 -0.21 0.00 -1.53 0.00 0.00 34.83 30.39 3bqc s MET 153 CO 0.01 0.60 1.02 1.25 -2.03 0.00 0.00 175.02 175.88 3bqc h HIS 154 N 5.45 -0.05 0.00 3.16 2.76 -1.91 -1.34 115.15 123.23 3bqc h HIS 154 Ca -0.46 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 3bqc h HIS 154 Cb 1.17 0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.15 3bqc h HIS 154 CO 0.56 0.56 0.00 0.54 -1.30 0.00 0.00 177.93 178.28 3bqc n ARG 155 N -4.80 -0.52 -2.74 5.26 1.74 -1.26 -2.62 116.66 111.72 3bqc n ARG 155 Ca -0.09 0.13 -0.03 0.00 -0.77 0.00 0.00 57.85 57.09 3bqc n ARG 155 Cb 0.31 -3.55 0.08 0.00 -1.02 0.00 0.00 32.46 28.29 3bqc n ARG 155 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3bqc n ASP 156 N -0.26 0.10 -4.68 0.55 2.03 -1.26 -1.62 116.55 111.41 3bqc n ASP 156 Ca 0.00 -2.27 -0.42 0.00 0.52 0.00 0.00 54.79 52.62 3bqc n ASP 156 Cb 0.13 0.09 -0.03 0.00 -0.72 0.00 0.00 41.12 40.60 3bqc n ASP 156 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3bqc s VAL 157 N -1.89 3.93 -0.04 5.18 1.01 -1.26 -4.79 120.40 122.54 3bqc s VAL 157 Ca 0.21 1.26 -0.30 0.00 0.00 0.00 0.00 61.98 63.15 3bqc s VAL 157 Cb 0.40 -3.81 0.11 0.00 0.00 0.00 0.00 36.38 33.07 3bqc s VAL 157 CO -0.06 -0.02 0.98 -1.59 0.00 0.00 0.00 175.10 174.41 3bqc s LYS 158 N 2.61 0.71 0.33 2.72 -2.85 -1.26 -4.80 119.74 117.20 3bqc s LYS 158 Ca 0.61 -0.28 0.04 0.00 -1.00 0.00 0.00 55.97 55.34 3bqc s LYS 158 Cb -0.28 0.32 0.66 0.00 -2.06 0.00 0.00 37.83 36.46 3bqc s LYS 158 CO 0.24 -0.31 1.89 -1.35 0.10 0.00 0.00 175.35 175.91 3bqc h PRO 159 N 2.00 0.84 0.00 1.78 0.11 -1.94 -1.05 132.00 133.75 3bqc h PRO 159 Ca -0.19 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 3bqc h PRO 159 Cb 1.22 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3bqc h PRO 159 CO 0.28 0.56 -0.03 0.45 -0.21 0.00 0.00 178.00 179.05 3bqc h HIS 160 N 0.87 0.00 -0.59 0.65 3.86 -1.96 -2.47 115.15 115.52 3bqc h HIS 160 Ca 0.42 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.63 3bqc h HIS 160 Cb 0.43 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.90 3bqc h HIS 160 CO -0.00 0.03 0.00 0.09 0.86 0.00 0.00 177.93 178.91 3bqc n ASN 161 N -3.38 3.86 -4.10 2.45 3.02 -0.40 -4.74 115.26 111.97 3bqc n ASN 161 Ca -0.02 -2.23 -0.33 0.00 -0.03 0.00 0.00 54.58 51.97 3bqc n ASN 161 Cb 0.14 -0.49 -0.15 0.00 -0.61 0.00 0.00 39.78 38.67 3bqc n ASN 161 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3bqc s VAL 162 N -1.55 2.18 -0.16 2.41 1.01 -0.94 -1.22 120.40 122.13 3bqc s VAL 162 Ca 0.43 -1.35 -0.15 0.00 0.00 0.00 0.00 61.98 60.92 3bqc s VAL 162 Cb 0.26 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3bqc s VAL 162 CO 0.24 0.19 0.33 -0.04 0.00 0.00 0.00 175.10 175.83 3bqc s MET 163 N 1.18 4.27 -0.03 2.72 -1.94 -0.02 -0.55 119.30 124.93 3bqc s MET 163 Ca -0.03 0.17 0.06 0.00 -1.71 0.00 0.00 55.69 54.17 3bqc s MET 163 Cb -0.17 -3.44 -0.01 0.00 2.01 0.00 0.00 34.83 33.22 3bqc s MET 163 CO -0.08 0.20 -0.21 0.42 -0.01 0.00 0.00 175.02 175.34 3bqc s ILE 164 N 0.56 1.69 -0.52 2.53 -1.09 -0.68 -0.76 121.20 122.92 3bqc s ILE 164 Ca 0.18 -0.89 0.02 0.00 -2.23 0.00 0.00 60.65 57.74 3bqc s ILE 164 Cb -0.13 -1.42 0.13 0.00 -1.58 0.00 0.00 42.46 39.46 3bqc s ILE 164 CO 0.05 0.48 0.28 -0.62 -1.23 0.00 0.00 174.94 173.90 3bqc s ASP 165 N -0.26 4.58 0.30 3.58 -1.08 0.31 -4.53 116.67 119.58 3bqc s ASP 165 Ca 0.02 -2.87 0.08 0.00 -0.52 0.00 0.00 52.55 49.26 3bqc s ASP 165 Cb -0.10 -1.69 0.48 0.00 -1.46 0.00 0.00 42.92 40.15 3bqc s ASP 165 CO 0.01 -0.28 1.71 -0.74 0.52 0.00 0.00 175.17 176.39 3bqc h HIS 166 N 6.77 0.22 -0.78 -5.34 -0.00 -1.96 0.15 115.15 114.21 3bqc h HIS 166 Ca -0.06 -0.06 0.03 0.00 -0.00 0.00 0.00 60.37 60.28 3bqc h HIS 166 Cb 0.92 -0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 28.24 3bqc h HIS 166 CO 0.56 0.59 0.50 1.49 -0.00 0.00 0.00 177.93 181.06 3bqc h GLU 167 N 0.16 0.94 -0.42 5.26 4.81 -1.95 -2.93 114.58 120.45 3bqc h GLU 167 Ca 0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3bqc h GLU 167 Cb 0.82 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.99 3bqc h GLU 167 CO 0.06 0.62 0.00 0.72 -0.73 0.00 0.00 179.01 179.69 3bqc n HIS 168 N -4.60 0.55 -3.69 0.92 8.25 -0.85 -4.97 115.22 110.84 3bqc n HIS 168 Ca 0.09 -0.32 -0.21 0.00 -0.26 0.00 0.00 57.72 57.02 3bqc n HIS 168 Cb 0.08 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.22 3bqc n HIS 168 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3bqc n ARG 169 N 1.33 -5.05 -4.53 -0.41 1.74 0.46 -4.97 116.66 105.23 3bqc n ARG 169 Ca 0.18 0.64 -0.21 0.00 -0.77 0.00 0.00 57.85 57.69 3bqc n ARG 169 Cb 0.56 -5.23 -0.15 0.00 -1.02 0.00 0.00 32.46 26.62 3bqc n ARG 169 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3bqc s LYS 170 N -5.95 1.02 -0.01 5.56 2.20 -0.71 -5.02 119.74 116.83 3bqc s LYS 170 Ca 0.02 -0.53 -0.01 0.00 -0.36 0.00 0.00 55.97 55.08 3bqc s LYS 170 Cb -0.01 -0.99 0.00 0.00 -1.51 0.00 0.00 37.83 35.32 3bqc s LYS 170 CO 0.81 0.27 0.04 -1.17 -0.36 0.00 0.00 175.35 174.93 3bqc s LEU 171 N -0.50 1.87 -0.02 5.43 0.20 -1.26 -0.53 118.68 123.87 3bqc s LEU 171 Ca 0.04 0.04 0.02 0.00 0.69 0.00 0.00 54.13 54.92 3bqc s LEU 171 Cb -0.06 0.14 0.00 0.00 -0.43 0.00 0.00 46.19 45.85 3bqc s LEU 171 CO -0.00 -0.04 -0.07 -0.13 -0.29 0.00 0.00 176.35 175.82 3bqc s ARG 172 N -0.10 0.74 -0.21 1.98 1.81 0.06 -4.63 118.95 118.60 3bqc s ARG 172 Ca -0.01 -0.22 -0.23 0.00 -1.72 0.00 0.00 55.73 53.55 3bqc s ARG 172 Cb -0.01 -0.72 -0.02 0.00 -0.45 0.00 0.00 34.95 33.75 3bqc s ARG 172 CO 0.00 0.07 0.73 -1.17 -0.68 0.00 0.00 175.30 174.26 3bqc s LEU 173 N 0.24 4.12 0.00 2.53 2.96 0.09 -0.84 118.68 127.78 3bqc s LEU 173 Ca -0.03 0.96 0.02 0.00 -0.22 0.00 0.00 54.13 54.85 3bqc s LEU 173 Cb -0.08 -3.05 0.02 0.00 0.50 0.00 0.00 46.19 43.58 3bqc s LEU 173 CO 0.00 -0.38 0.13 2.30 -1.32 0.00 0.00 176.35 177.07 3bqc n ILE 174 N 4.92 0.00 -3.24 6.68 -5.35 -0.36 -2.48 119.36 119.54 3bqc n ILE 174 Ca 0.02 -2.00 -0.18 0.00 -0.27 0.00 0.00 62.75 60.33 3bqc n ILE 174 Cb 0.49 0.23 0.01 0.00 -1.74 0.00 0.00 39.64 38.63 3bqc n ILE 174 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3bqc n ASP 175 N -1.48 -6.73 -1.02 7.28 4.64 -1.26 -4.86 116.55 113.13 3bqc n ASP 175 Ca -0.12 -0.04 0.03 0.00 -1.38 0.00 0.00 54.79 53.28 3bqc n ASP 175 Cb 0.55 -3.72 0.17 0.00 -1.04 0.00 0.00 41.12 37.07 3bqc n ASP 175 CO 0.00 0.00 0.00 0.79 -0.82 0.00 0.00 177.20 177.17 3bqc n TRP 176 N -0.98 0.82 0.36 -0.67 7.02 -1.26 -4.40 117.44 118.33 3bqc n TRP 176 Ca -0.04 -0.30 0.14 0.00 -1.02 0.00 0.00 57.50 56.28 3bqc n TRP 176 Cb 0.57 -0.23 0.56 0.00 -2.42 0.00 0.00 31.31 29.79 3bqc n TRP 176 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 3bqc h GLY 177 N 4.71 0.00 -1.14 6.99 0.00 -1.91 -2.35 103.07 109.37 3bqc h GLY 177 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bqc h GLY 177 CO 0.18 0.00 -0.19 1.04 0.00 0.00 0.00 176.54 177.57 3bqc n LEU 178 N -2.53 2.13 -4.75 3.11 4.77 -1.26 -4.87 117.00 113.59 3bqc n LEU 178 Ca 0.02 -0.88 -0.35 0.00 -0.03 0.00 0.00 56.01 54.76 3bqc n LEU 178 Cb 0.25 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.38 3bqc n LEU 178 CO 0.22 0.38 0.82 0.00 -1.33 0.00 0.00 177.39 177.49 3bqc s ALA 179 N -1.81 2.52 0.05 -1.18 0.00 -0.88 -4.69 121.76 115.77 3bqc s ALA 179 Ca 0.18 0.95 -0.04 0.00 0.00 0.00 0.00 51.96 53.05 3bqc s ALA 179 Cb 0.15 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 3bqc s ALA 179 CO 0.34 -1.19 0.05 -2.00 0.00 0.00 0.00 175.76 172.97 3bqc s GLU 180 N -3.43 0.61 0.15 0.00 2.56 -0.50 -4.88 118.70 113.20 3bqc s GLU 180 Ca 0.76 -0.97 -0.30 0.00 0.00 0.00 0.00 54.97 54.46 3bqc s GLU 180 Cb -0.29 0.23 -0.07 0.00 2.00 0.00 0.00 34.13 36.00 3bqc s GLU 180 CO 0.34 -0.14 0.95 -0.06 -0.56 0.00 0.00 175.26 175.79 3bqc s PHE 181 N -3.26 3.86 -0.23 5.30 0.40 -1.26 -1.13 117.98 121.66 3bqc s PHE 181 Ca 0.01 1.83 -0.23 0.00 -0.60 0.00 0.00 56.93 57.94 3bqc s PHE 181 Cb 0.03 -3.03 -0.01 0.00 0.51 0.00 0.00 43.02 40.51 3bqc s PHE 181 CO -0.08 0.28 0.75 -0.47 0.70 0.00 0.00 175.22 176.40 3bqc s TYR 182 N -0.33 3.33 -0.13 0.36 5.04 0.21 -4.93 117.35 120.91 3bqc s TYR 182 Ca 0.45 1.04 0.01 0.00 -2.44 0.00 0.00 57.07 56.12 3bqc s TYR 182 Cb -0.24 -2.95 0.02 0.00 0.35 0.00 0.00 41.96 39.14 3bqc s TYR 182 CO 0.30 -0.32 -0.13 -1.01 -1.34 0.00 0.00 175.55 173.05 3bqc s HIS 183 N 2.51 1.96 0.21 4.97 3.76 -1.26 -4.54 115.29 122.90 3bqc s HIS 183 Ca 0.32 -1.03 -0.32 0.00 -0.15 0.00 0.00 55.06 53.88 3bqc s HIS 183 Cb -0.16 -1.46 -0.13 0.00 1.11 0.00 0.00 32.58 31.95 3bqc s HIS 183 CO 0.09 -0.58 1.64 -0.35 -0.85 0.00 0.00 174.74 174.69 3bqc n PRO 184 N 4.63 2.51 -0.36 8.40 -0.04 -1.26 -1.63 135.00 147.26 3bqc n PRO 184 Ca -0.17 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 3bqc n PRO 184 Cb 0.50 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 3bqc n PRO 184 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bqc n GLY 185 N 3.40 1.08 3.76 0.55 0.00 -1.26 -5.04 105.19 107.68 3bqc n GLY 185 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3bqc n GLY 185 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3bqc s GLN 186 N -0.45 4.71 -0.19 1.61 0.74 -0.65 -5.03 119.66 120.41 3bqc s GLN 186 Ca 0.00 1.57 -0.13 0.00 0.05 0.00 0.00 55.36 56.85 3bqc s GLN 186 Cb 0.00 -3.14 -0.05 0.00 1.10 0.00 0.00 33.01 30.92 3bqc s GLN 186 CO 0.00 0.35 0.25 -1.21 -0.55 0.00 0.00 175.29 174.13 3bqc s GLU 187 N -1.46 4.20 0.26 1.67 2.02 -1.26 -4.41 118.70 119.71 3bqc s GLU 187 Ca 0.44 -0.02 0.09 0.00 0.02 0.00 0.00 54.97 55.51 3bqc s GLU 187 Cb -0.27 -3.46 -0.04 0.00 0.10 0.00 0.00 34.13 30.46 3bqc s GLU 187 CO 0.33 0.17 0.02 0.71 0.02 0.00 0.00 175.26 176.51 3bqc s TYR 188 N 0.70 2.74 0.14 1.61 2.02 0.04 -4.99 117.35 119.61 3bqc s TYR 188 Ca 0.13 -0.21 -0.31 0.00 -0.37 0.00 0.00 57.07 56.31 3bqc s TYR 188 Cb -0.13 -1.21 -0.10 0.00 -0.40 0.00 0.00 41.96 40.12 3bqc s TYR 188 CO 0.03 0.61 1.62 1.21 -1.57 0.00 0.00 175.55 177.45 3bqc s ASN 189 N -3.69 6.56 0.00 2.29 2.47 -1.26 -4.64 114.94 116.67 3bqc s ASN 189 Ca 0.32 2.61 0.28 0.00 0.42 0.00 0.00 52.86 56.49 3bqc s ASN 189 Cb -0.07 -2.58 1.12 0.00 -1.45 0.00 0.00 41.25 38.26 3bqc s ASN 189 CO 0.20 -0.86 1.82 1.33 -3.72 0.00 0.00 177.10 175.87 3bqc n VAL 190 N 4.21 0.00 -2.03 -5.21 0.24 -1.26 -4.33 118.33 109.95 3bqc n VAL 190 Ca 0.15 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.34 62.02 3bqc n VAL 190 Cb 0.39 -0.25 -0.00 0.00 -1.47 0.00 0.00 33.84 32.51 3bqc n VAL 190 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3bqc n ARG 191 N -1.35 3.75 -4.34 7.34 5.12 -1.26 -4.85 116.66 121.07 3bqc n ARG 191 Ca 0.09 -3.20 -0.18 0.00 -1.93 0.00 0.00 57.85 52.63 3bqc n ARG 191 Cb 0.31 -2.90 -0.10 0.00 -1.16 0.00 0.00 32.46 28.62 3bqc n ARG 191 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3bqc s VAL 192 N 0.67 0.55 0.59 1.55 -7.23 -1.26 -5.12 120.40 110.15 3bqc s VAL 192 Ca 0.48 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 3bqc s VAL 192 Cb 0.14 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.47 3bqc s VAL 192 CO -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.75 3bqc n ALA 193 N -0.53 -3.72 -2.27 1.32 0.00 -0.64 -4.89 120.51 109.79 3bqc n ALA 193 Ca -0.00 0.88 -0.33 0.00 0.00 0.00 0.00 53.44 53.99 3bqc n ALA 193 Cb 0.66 -1.53 -0.06 0.00 0.00 0.00 0.00 19.45 18.52 3bqc n ALA 193 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3bqc s SER 194 N -7.20 6.75 0.23 0.00 0.01 -1.26 -4.88 113.70 107.34 3bqc s SER 194 Ca 0.00 1.13 -0.14 0.00 1.31 0.00 0.00 55.95 58.25 3bqc s SER 194 Cb 0.00 -2.31 0.29 0.00 0.21 0.00 0.00 66.02 64.21 3bqc s SER 194 CO 0.00 -0.10 1.59 -0.09 0.41 0.00 0.00 173.24 175.05 3bqc h ARG 195 N 2.61 -0.03 0.00 12.44 2.43 -1.98 0.74 114.38 130.58 3bqc h ARG 195 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3bqc h ARG 195 Cb 1.18 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3bqc h ARG 195 CO 0.67 -0.02 0.00 1.88 -1.51 0.00 0.00 179.97 180.99 3bqc h TYR 196 N -0.04 0.00 -0.07 2.20 0.05 -1.94 -2.72 116.97 114.45 3bqc h TYR 196 Ca 0.35 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.13 3bqc h TYR 196 Cb 0.59 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.33 3bqc h TYR 196 CO -0.68 0.00 0.00 1.19 -1.05 0.00 0.00 178.16 177.62 3bqc n PHE 197 N -2.59 0.07 -2.12 4.88 3.72 0.20 -4.70 117.46 116.93 3bqc n PHE 197 Ca 0.01 -0.06 -0.42 0.00 -0.05 0.00 0.00 57.45 56.93 3bqc n PHE 197 Cb 0.26 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 3bqc n PHE 197 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3bqc s LYS 198 N -1.20 4.30 0.63 -1.08 1.02 -0.91 -4.13 119.74 118.38 3bqc s LYS 198 Ca 0.19 2.14 -0.13 0.00 0.02 0.00 0.00 55.97 58.19 3bqc s LYS 198 Cb 0.13 -3.22 -0.02 0.00 -0.52 0.00 0.00 37.83 34.20 3bqc s LYS 198 CO 0.19 -0.45 1.05 0.20 -0.92 0.00 0.00 175.35 175.41 3bqc s GLY 199 N 1.00 1.86 0.38 -3.33 0.00 -1.26 -4.89 107.32 101.09 3bqc s GLY 199 Ca 0.65 0.18 0.16 0.00 0.00 0.00 0.00 44.72 45.70 3bqc s GLY 199 CO 0.32 0.49 1.79 -2.55 0.00 0.00 0.00 173.10 173.15 3bqc h PRO 200 N -0.12 0.46 -0.97 2.90 0.11 -1.93 -1.13 132.00 131.32 3bqc h PRO 200 Ca -0.45 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 65.75 3bqc h PRO 200 Cb 1.21 -0.10 -0.09 0.00 0.11 0.00 0.00 31.00 32.13 3bqc h PRO 200 CO 0.58 0.30 0.60 1.05 -0.21 0.00 0.00 178.00 180.32 3bqc h GLU 201 N 0.47 0.91 -0.41 1.05 9.09 -1.90 -0.28 114.58 123.51 3bqc h GLU 201 Ca 0.56 -0.05 -0.10 0.00 0.05 0.00 0.00 59.36 59.81 3bqc h GLU 201 Cb 1.30 -0.20 -0.01 0.00 -1.65 0.00 0.00 28.75 28.18 3bqc h GLU 201 CO -0.29 0.60 -0.15 -0.07 0.05 0.00 0.00 179.01 179.15 3bqc h LEU 202 N 0.93 0.84 -0.87 3.06 3.38 -1.44 0.20 115.31 121.41 3bqc h LEU 202 Ca 0.49 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3bqc h LEU 202 Cb 0.51 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3bqc h LEU 202 CO -0.28 1.04 0.00 -0.07 0.09 0.00 0.00 178.44 179.22 3bqc h LEU 203 N 0.64 0.00 -2.94 1.67 3.38 -0.98 -2.22 115.31 114.86 3bqc h LEU 203 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3bqc h LEU 203 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3bqc h LEU 203 CO 0.05 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.91 3bqc n VAL 204 N -3.00 1.29 -3.58 1.22 0.24 -0.22 -4.97 118.33 109.30 3bqc n VAL 204 Ca 0.02 -1.13 -0.20 0.00 -2.04 0.00 0.00 64.34 60.99 3bqc n VAL 204 Cb 0.38 0.35 0.06 0.00 -1.47 0.00 0.00 33.84 33.17 3bqc n VAL 204 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3bqc n ASP 205 N 0.82 -2.05 -4.49 -1.34 8.00 -0.84 -4.89 116.55 111.76 3bqc n ASP 205 Ca 0.19 -0.71 -0.40 0.00 0.71 0.00 0.00 54.79 54.58 3bqc n ASP 205 Cb 0.61 -4.61 -0.11 0.00 -0.02 0.00 0.00 41.12 36.99 3bqc n ASP 205 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3bqc s TYR 206 N -3.49 3.22 -0.53 1.24 5.04 0.67 -4.99 117.35 118.51 3bqc s TYR 206 Ca 0.07 -0.38 0.24 0.00 -2.44 0.00 0.00 57.07 54.55 3bqc s TYR 206 Cb -0.03 -2.45 0.22 0.00 0.35 0.00 0.00 41.96 40.06 3bqc s TYR 206 CO 0.77 -0.42 1.22 1.96 -1.34 0.00 0.00 175.55 177.74 3bqc h GLN 207 N 8.45 0.00 -2.25 4.97 4.20 -1.84 -3.40 115.11 125.25 3bqc h GLN 207 Ca -0.31 0.00 -0.70 0.00 0.06 0.00 0.00 58.65 57.71 3bqc h GLN 207 Cb 1.15 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 28.73 3bqc h GLN 207 CO 0.64 0.00 1.30 -0.12 -0.67 0.00 0.00 178.83 179.97 3bqc n MET 208 N -2.25 3.85 -2.76 1.46 1.56 -1.26 -0.78 117.12 116.95 3bqc n MET 208 Ca 0.02 -3.44 -0.22 0.00 -0.27 0.00 0.00 57.70 53.79 3bqc n MET 208 Cb 0.47 -2.39 0.09 0.00 2.15 0.00 0.00 33.22 33.54 3bqc n MET 208 CO 0.00 0.00 0.00 1.52 -0.73 0.00 0.00 175.97 176.76 3bqc s TYR 209 N -2.57 1.44 0.00 1.12 -0.85 -1.26 -4.56 117.35 110.67 3bqc s TYR 209 Ca 0.52 -0.47 0.00 0.00 -0.52 0.00 0.00 57.07 56.60 3bqc s TYR 209 Cb 0.29 -2.70 0.00 0.00 0.38 0.00 0.00 41.96 39.92 3bqc s TYR 209 CO -0.20 -1.54 0.00 -0.40 -1.52 0.00 0.00 175.55 171.89 3bqc n ASP 210 N -2.63 0.00 -0.07 -0.18 5.75 -1.26 -4.95 116.55 113.21 3bqc n ASP 210 Ca 0.16 -0.12 0.24 0.00 -0.01 0.00 0.00 54.79 55.05 3bqc n ASP 210 Cb 0.61 0.00 0.71 0.00 -1.03 0.00 0.00 41.12 41.41 3bqc n ASP 210 CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 3bqc h TYR 211 N 0.12 0.00 -0.00 2.11 -1.99 -1.95 -1.83 116.97 113.43 3bqc h TYR 211 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3bqc h TYR 211 Cb 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 3bqc h TYR 211 CO 0.00 0.00 0.01 0.66 -0.00 0.00 0.00 178.16 178.83 3bqc h SER 212 N 0.00 0.00 -0.66 3.88 4.64 -1.95 -1.22 113.55 118.24 3bqc h SER 212 Ca 0.32 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.75 3bqc h SER 212 Cb 1.31 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.32 3bqc h SER 212 CO -0.00 0.00 0.25 0.25 -0.87 0.00 0.00 176.83 176.45 3bqc h LEU 213 N 0.00 0.23 -1.63 5.97 5.85 -1.69 -1.95 115.31 122.09 3bqc h LEU 213 Ca 0.00 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 3bqc h LEU 213 Cb 0.03 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3bqc h LEU 213 CO -0.00 0.12 -0.15 0.44 -0.34 0.00 0.00 178.44 178.51 3bqc h ASP 214 N 0.41 0.05 0.39 1.25 3.32 -1.44 -2.46 116.42 117.94 3bqc h ASP 214 Ca 0.34 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.22 3bqc h ASP 214 Cb 0.46 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3bqc h ASP 214 CO -0.35 0.20 -0.69 0.24 -1.72 0.00 0.00 179.24 176.93 3bqc h MET 215 N 0.05 0.27 0.08 3.56 2.86 -1.45 -0.94 114.93 119.35 3bqc h MET 215 Ca 0.01 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3bqc h MET 215 Cb 0.29 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.99 3bqc h MET 215 CO 0.02 0.85 -0.04 2.35 1.06 0.00 0.00 176.91 181.16 3bqc h TRP 216 N 0.19 -0.09 -0.75 -0.22 2.91 -1.17 -1.24 115.95 115.58 3bqc h TRP 216 Ca -0.02 -0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.08 3bqc h TRP 216 Cb 1.23 0.03 -0.07 0.00 -0.51 0.00 0.00 29.16 29.85 3bqc h TRP 216 CO 0.03 0.03 0.41 0.77 -1.03 0.00 0.00 178.44 178.65 3bqc h SER 217 N -0.19 0.59 -0.62 2.65 0.02 -1.32 -0.34 113.55 114.33 3bqc h SER 217 Ca -0.01 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3bqc h SER 217 Cb 0.16 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 3bqc h SER 217 CO 0.02 0.35 0.37 0.25 -1.14 0.00 0.00 176.83 176.68 3bqc h LEU 218 N 0.72 0.75 -0.84 5.07 5.85 -1.08 -1.93 115.31 123.85 3bqc h LEU 218 Ca 0.35 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 59.11 3bqc h LEU 218 Cb 0.30 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 3bqc h LEU 218 CO -0.23 0.60 0.48 1.23 -0.34 0.00 0.00 178.44 180.18 3bqc h GLY 219 N 0.85 1.30 1.05 3.75 0.00 0.02 -0.36 103.07 109.68 3bqc h GLY 219 Ca 0.22 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 3bqc h GLY 219 CO -0.04 0.13 0.43 0.00 0.00 0.00 0.00 176.54 177.06 3bqc h MET 221 N 1.23 0.47 -0.31 0.00 2.07 -0.75 -2.07 114.93 115.57 3bqc h MET 221 Ca 0.30 -0.10 0.02 0.00 -2.07 0.00 0.00 59.70 57.84 3bqc h MET 221 Cb 0.10 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 29.73 3bqc h MET 221 CO -0.04 0.52 0.17 1.25 1.07 0.00 0.00 176.91 179.88 3bqc h LEU 222 N 0.33 0.27 -0.75 1.22 5.85 -0.72 -1.63 115.31 119.88 3bqc h LEU 222 Ca 0.10 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3bqc h LEU 222 Cb 0.24 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 3bqc h LEU 222 CO -0.00 0.20 0.48 0.00 -0.34 0.00 0.00 178.44 178.78 3bqc h ALA 223 N 1.15 0.99 -0.80 1.25 0.00 -1.02 -0.52 119.26 120.31 3bqc h ALA 223 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3bqc h ALA 223 Cb 0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3bqc h ALA 223 CO -0.07 0.28 0.43 1.03 0.00 0.00 0.00 179.25 180.93 3bqc h SER 224 N 0.94 1.01 -0.02 0.00 0.87 -1.05 -1.86 113.55 113.44 3bqc h SER 224 Ca 0.30 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3bqc h SER 224 Cb 0.00 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.71 3bqc h SER 224 CO -0.11 0.82 -0.02 0.24 -0.53 0.00 0.00 176.83 177.23 3bqc h MET 225 N 1.12 0.05 0.00 2.24 2.07 -0.61 -0.81 114.93 118.98 3bqc h MET 225 Ca 0.28 -0.03 -0.12 0.00 -2.07 0.00 0.00 59.70 57.76 3bqc h MET 225 Cb 0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.76 3bqc h MET 225 CO -0.04 0.55 -0.58 -0.84 1.07 0.00 0.00 176.91 177.06 3bqc h ILE 226 N -0.44 1.11 -0.01 -1.22 3.07 -1.08 -3.12 117.51 115.82 3bqc h ILE 226 Ca 0.00 -2.26 0.00 0.00 1.55 0.00 0.00 64.86 64.16 3bqc h ILE 226 Cb 0.54 2.34 0.00 0.00 -0.27 0.00 0.00 36.82 39.43 3bqc h ILE 226 CO 0.01 0.57 -0.57 0.49 -1.05 0.00 0.00 178.15 177.59 3bqc n PHE 227 N -3.40 0.00 -3.69 0.16 3.72 -0.70 -4.53 117.46 109.02 3bqc n PHE 227 Ca 0.01 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.17 3bqc n PHE 227 Cb 0.70 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 39.26 3bqc n PHE 227 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3bqc n ARG 228 N -0.39 -3.74 -3.75 -1.08 5.12 -0.36 -4.82 116.66 107.64 3bqc n ARG 228 Ca 0.08 0.58 -0.26 0.00 -1.93 0.00 0.00 57.85 56.32 3bqc n ARG 228 Cb 0.43 -4.94 -0.17 0.00 -1.16 0.00 0.00 32.46 26.63 3bqc n ARG 228 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3bqc s LYS 229 N -5.92 0.68 -0.24 5.56 2.20 -0.90 -5.05 119.74 116.06 3bqc s LYS 229 Ca 0.13 -0.26 0.02 0.00 -0.36 0.00 0.00 55.97 55.51 3bqc s LYS 229 Cb -0.04 -1.76 0.05 0.00 -1.51 0.00 0.00 37.83 34.57 3bqc s LYS 229 CO 0.83 -0.53 -0.13 -2.00 -0.36 0.00 0.00 175.35 173.16 3bqc s GLU 230 N 1.89 2.38 0.80 4.03 2.12 -1.26 -2.89 118.70 125.77 3bqc s GLU 230 Ca 0.01 -1.20 -0.12 0.00 0.36 0.00 0.00 54.97 54.02 3bqc s GLU 230 Cb -0.15 -2.79 0.08 0.00 0.26 0.00 0.00 34.13 31.53 3bqc s GLU 230 CO -0.07 -0.48 1.17 -1.25 -0.54 0.00 0.00 175.26 174.08 3bqc s PRO 231 N 1.16 1.96 0.02 4.30 0.04 -1.26 -5.08 135.00 136.14 3bqc s PRO 231 Ca -0.05 0.08 -0.19 0.00 0.04 0.00 0.00 61.00 60.87 3bqc s PRO 231 Cb -0.18 -1.96 -0.20 0.00 0.04 0.00 0.00 34.50 32.19 3bqc s PRO 231 CO -0.07 -1.58 1.17 0.35 0.04 0.00 0.00 177.00 176.91 3bqc h PHE 232 N -1.03 0.61 -3.41 0.56 3.57 -1.79 -3.39 116.94 112.06 3bqc h PHE 232 Ca -0.46 -0.29 -0.72 0.00 3.53 0.00 0.00 57.97 60.03 3bqc h PHE 232 Cb 1.33 -0.09 -0.28 0.00 2.79 0.00 0.00 35.95 39.70 3bqc h PHE 232 CO 0.29 1.07 -0.44 -0.06 -2.23 0.00 0.00 178.31 176.94 3bqc s PHE 233 N -3.50 3.35 -0.96 0.41 0.08 -1.26 -5.02 117.98 111.08 3bqc s PHE 233 Ca -0.13 -1.57 -0.01 0.00 0.12 0.00 0.00 56.93 55.33 3bqc s PHE 233 Cb 0.04 -3.10 0.30 0.00 -0.57 0.00 0.00 43.02 39.69 3bqc s PHE 233 CO 0.81 -0.88 1.33 1.58 -0.10 0.00 0.00 175.22 177.96 3bqc n HIS 234 N 4.93 2.65 -2.76 0.36 -0.00 -1.26 -4.70 115.22 114.44 3bqc n HIS 234 Ca -0.10 -2.98 -0.35 0.00 0.46 0.00 0.00 57.72 54.76 3bqc n HIS 234 Cb 0.42 -1.06 -0.06 0.00 -0.12 0.00 0.00 29.99 29.17 3bqc n HIS 234 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 3bqc s GLY 235 N -1.99 2.58 0.12 1.57 0.00 -1.26 -4.95 107.32 103.39 3bqc s GLY 235 Ca 0.34 0.49 0.25 0.00 0.00 0.00 0.00 44.72 45.80 3bqc s GLY 235 CO 0.06 0.84 1.48 -2.39 0.00 0.00 0.00 173.10 173.09 3bqc n HIS 236 N -0.19 0.56 -3.45 1.90 1.44 -1.26 -4.80 115.22 109.43 3bqc n HIS 236 Ca 0.05 0.16 -0.04 0.00 -2.01 0.00 0.00 57.72 55.88 3bqc n HIS 236 Cb 0.52 -0.68 0.01 0.00 0.12 0.00 0.00 29.99 29.97 3bqc n HIS 236 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 3bqc n ASP 237 N -2.05 -1.14 0.22 4.39 5.68 -1.26 -5.02 116.55 117.37 3bqc n ASP 237 Ca 0.04 -1.76 0.10 0.00 -0.50 0.00 0.00 54.79 52.68 3bqc n ASP 237 Cb 0.42 1.89 0.40 0.00 -1.14 0.00 0.00 41.12 42.69 3bqc n ASP 237 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3bqc h ASN 238 N 1.02 0.00 0.01 -1.12 2.35 -1.97 0.29 115.58 116.16 3bqc h ASN 238 Ca -0.17 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.57 3bqc h ASN 238 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 3bqc h ASN 238 CO 0.21 0.20 -0.07 1.88 -1.65 0.00 0.00 177.43 178.00 3bqc h TYR 239 N 0.00 0.06 0.00 1.19 -1.99 -1.97 -3.23 116.97 111.03 3bqc h TYR 239 Ca -0.00 -0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.66 3bqc h TYR 239 Cb 0.82 -0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.55 3bqc h TYR 239 CO 0.00 0.97 -0.14 0.22 -0.00 0.00 0.00 178.16 179.21 3bqc h ASP 240 N -0.88 0.00 -0.62 3.88 3.58 -1.93 -1.76 116.42 118.69 3bqc h ASP 240 Ca -0.01 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.53 3bqc h ASP 240 Cb 1.00 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.98 3bqc h ASP 240 CO 0.01 0.14 0.25 -0.61 -2.88 0.00 0.00 179.24 176.15 3bqc h GLN 241 N 0.00 0.43 -0.61 0.28 5.75 -0.97 -0.05 115.11 119.93 3bqc h GLN 241 Ca -0.00 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.38 3bqc h GLN 241 Cb 0.25 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 3bqc h GLN 241 CO 0.02 0.28 0.02 1.25 -2.65 0.00 0.00 178.83 177.75 3bqc h LEU 242 N 0.44 1.03 -0.86 -2.39 5.85 -1.35 -2.34 115.31 115.69 3bqc h LEU 242 Ca 0.31 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3bqc h LEU 242 Cb 0.38 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 3bqc h LEU 242 CO -0.30 1.07 0.56 0.58 -0.34 0.00 0.00 178.44 180.02 3bqc h VAL 243 N 0.98 1.19 -0.69 1.05 2.07 -0.95 -0.04 116.25 119.85 3bqc h VAL 243 Ca 0.18 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 3bqc h VAL 243 Cb 0.53 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 3bqc h VAL 243 CO 0.03 0.21 0.21 0.03 0.02 0.00 0.00 177.57 178.06 3bqc h ARG 244 N 1.13 1.06 -0.25 1.57 2.47 -0.80 -0.75 114.38 118.82 3bqc h ARG 244 Ca 0.33 -0.22 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 3bqc h ARG 244 Cb -0.07 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.08 3bqc h ARG 244 CO -0.09 0.91 0.11 0.82 0.56 0.00 0.00 179.97 182.28 3bqc h ILE 245 N 1.02 1.16 -0.01 2.04 2.04 -1.01 -3.10 117.51 119.64 3bqc h ILE 245 Ca 0.22 -0.48 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 3bqc h ILE 245 Cb 0.30 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3bqc h ILE 245 CO -0.01 0.16 -0.12 0.00 0.00 0.00 0.00 178.15 178.19 3bqc h ALA 246 N 0.96 1.78 0.00 1.87 0.00 -0.38 -0.04 119.26 123.45 3bqc h ALA 246 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3bqc h ALA 246 Cb 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3bqc h ALA 246 CO -0.01 0.16 0.00 1.63 0.00 0.00 0.00 179.25 181.04 3bqc n LYS 247 N -4.39 0.14 -0.10 0.00 5.02 -0.34 -0.36 118.16 118.13 3bqc n LYS 247 Ca -0.02 0.38 -0.20 0.00 -2.02 0.00 0.00 58.31 56.44 3bqc n LYS 247 Cb 0.19 -1.77 -0.07 0.00 -0.02 0.00 0.00 35.03 33.36 3bqc n LYS 247 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3bqc n VAL 248 N -2.04 1.16 0.60 -0.18 0.31 -0.56 -4.70 118.33 112.92 3bqc n VAL 248 Ca 0.02 -0.23 0.12 0.00 -0.01 0.00 0.00 64.34 64.25 3bqc n VAL 248 Cb 0.21 -1.82 0.23 0.00 -0.91 0.00 0.00 33.84 31.55 3bqc n VAL 248 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3bqc n LEU 249 N -3.96 0.71 0.00 7.52 4.77 -0.14 -0.97 117.00 124.94 3bqc n LEU 249 Ca -0.37 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3bqc n LEU 249 Cb 0.74 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3bqc n LEU 249 CO 0.04 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 3bqc n GLY 250 N 1.34 0.09 0.13 -0.72 0.00 0.52 -4.22 105.19 102.33 3bqc n GLY 250 Ca 0.04 -1.64 0.02 0.00 0.00 0.00 0.00 46.02 44.43 3bqc n GLY 250 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3bqc h THR 251 N 0.00 0.86 -0.45 2.61 1.35 -1.04 -3.27 112.91 112.97 3bqc h THR 251 Ca 0.00 -2.25 -0.07 0.00 -0.55 0.00 0.00 66.41 63.54 3bqc h THR 251 Cb 0.00 2.39 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 3bqc h THR 251 CO 0.00 0.49 0.01 -0.33 -0.25 0.00 0.00 175.52 175.44 3bqc h GLU 252 N 0.00 0.78 0.00 4.72 5.08 -1.88 -1.17 114.58 122.11 3bqc h GLU 252 Ca -0.03 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.05 3bqc h GLU 252 Cb 1.43 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 3bqc h GLU 252 CO 0.07 0.84 -0.17 -0.44 -1.00 0.00 0.00 179.01 178.30 3bqc h ASP 253 N 0.63 0.00 -0.04 1.42 3.32 -1.82 -0.65 116.42 119.29 3bqc h ASP 253 Ca 0.13 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3bqc h ASP 253 Cb 0.48 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 3bqc h ASP 253 CO 0.02 0.17 -0.03 0.25 -1.72 0.00 0.00 179.24 177.94 3bqc h LEU 254 N 0.00 0.09 -1.11 1.55 5.85 -1.47 -1.77 115.31 118.45 3bqc h LEU 254 Ca -0.00 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 3bqc h LEU 254 Cb 0.68 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 3bqc h LEU 254 CO 0.02 0.53 0.41 1.88 -0.34 0.00 0.00 178.44 180.94 3bqc h TYR 255 N -0.34 1.01 -0.93 1.25 0.05 -1.06 -1.40 116.97 115.54 3bqc h TYR 255 Ca 0.01 -0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.78 3bqc h TYR 255 Cb 0.50 -0.33 -0.05 0.00 1.01 0.00 0.00 36.73 37.86 3bqc h TYR 255 CO 0.08 0.70 0.62 -0.44 -1.05 0.00 0.00 178.16 178.07 3bqc h ASP 256 N 1.04 1.07 0.36 3.88 3.45 -1.04 -0.23 116.42 124.95 3bqc h ASP 256 Ca 0.26 -0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.68 3bqc h ASP 256 Cb 0.02 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 38.52 3bqc h ASP 256 CO -0.04 0.77 -0.17 0.22 -1.57 0.00 0.00 179.24 178.44 3bqc h TYR 257 N 1.26 -0.45 -0.11 4.55 3.20 -0.68 -1.09 116.97 123.64 3bqc h TYR 257 Ca 0.34 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.13 3bqc h TYR 257 Cb -0.14 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3bqc h TYR 257 CO -0.01 -0.21 -0.24 -0.84 -1.64 0.00 0.00 178.16 175.23 3bqc h ILE 258 N -0.60 1.22 -0.24 1.81 3.07 -1.17 -2.47 117.51 119.13 3bqc h ILE 258 Ca -0.05 -1.03 -0.14 0.00 1.55 0.00 0.00 64.86 65.18 3bqc h ILE 258 Cb 0.44 1.40 -0.01 0.00 -0.27 0.00 0.00 36.82 38.39 3bqc h ILE 258 CO 0.08 0.31 -0.44 0.44 -1.05 0.00 0.00 178.15 177.50 3bqc h ASP 259 N 0.18 0.64 -0.82 2.16 3.32 -0.95 0.65 116.42 121.61 3bqc h ASP 259 Ca 0.03 -0.30 0.04 0.00 0.02 0.00 0.00 57.03 56.82 3bqc h ASP 259 Cb 0.52 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.84 3bqc h ASP 259 CO 0.04 0.99 0.52 0.50 -1.72 0.00 0.00 179.24 179.57 3bqc h LYS 260 N 0.49 0.95 -0.53 3.56 3.64 -0.74 -2.64 116.57 121.31 3bqc h LYS 260 Ca 0.03 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3bqc h LYS 260 Cb 0.96 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3bqc h LYS 260 CO 0.09 0.63 0.00 0.66 -2.27 0.00 0.00 179.45 178.56 3bqc n TYR 261 N -4.60 0.69 -3.78 1.91 4.01 -1.06 -4.81 117.16 109.51 3bqc n TYR 261 Ca 0.11 -0.35 -0.26 0.00 -0.16 0.00 0.00 57.90 57.24 3bqc n TYR 261 Cb 0.12 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.20 3bqc n TYR 261 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3bqc n ASN 262 N 1.51 -4.36 -4.85 7.72 4.13 -0.29 -0.54 115.26 118.58 3bqc n ASN 262 Ca 0.21 -0.72 -0.37 0.00 1.68 0.00 0.00 54.58 55.38 3bqc n ASN 262 Cb 0.60 -4.25 -0.06 0.00 -1.54 0.00 0.00 39.78 34.54 3bqc n ASN 262 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3bqc s ILE 263 N -3.38 5.16 -0.15 2.41 1.01 0.07 -4.20 121.20 122.12 3bqc s ILE 263 Ca 0.49 0.59 -0.04 0.00 0.00 0.00 0.00 60.65 61.69 3bqc s ILE 263 Cb -0.24 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 3bqc s ILE 263 CO 0.80 0.52 -0.01 -0.70 0.00 0.00 0.00 174.94 175.54 3bqc s GLU 264 N -1.28 3.62 0.51 2.79 2.12 -1.26 -4.55 118.70 120.64 3bqc s GLU 264 Ca 0.24 -0.47 -0.22 0.00 0.36 0.00 0.00 54.97 54.89 3bqc s GLU 264 Cb -0.15 -2.95 -0.06 0.00 0.26 0.00 0.00 34.13 31.23 3bqc s GLU 264 CO 0.13 0.33 1.22 -0.51 -0.54 0.00 0.00 175.26 175.88 3bqc s LEU 265 N 0.15 3.89 0.02 2.70 1.43 -1.26 -4.95 118.68 120.66 3bqc s LEU 265 Ca 0.00 2.42 -0.37 0.00 -1.03 0.00 0.00 54.13 55.15 3bqc s LEU 265 Cb -0.13 -4.34 -0.16 0.00 0.03 0.00 0.00 46.19 41.59 3bqc s LEU 265 CO 0.02 -1.22 1.47 -0.67 0.23 0.00 0.00 176.35 176.18 3bqc n ASP 266 N -0.88 2.06 0.16 2.29 -0.08 -1.26 -4.82 116.55 114.01 3bqc n ASP 266 Ca 0.09 1.10 0.11 0.00 -1.51 0.00 0.00 54.79 54.58 3bqc n ASP 266 Cb 0.48 -1.22 0.57 0.00 2.34 0.00 0.00 41.12 43.28 3bqc n ASP 266 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3bqc n PRO 267 N 3.33 0.14 0.20 -0.67 -0.04 -1.26 -1.18 135.00 135.52 3bqc n PRO 267 Ca 0.20 0.62 0.18 0.00 -0.04 0.00 0.00 63.50 64.46 3bqc n PRO 267 Cb 0.20 -1.94 0.83 0.00 -0.04 0.00 0.00 33.50 32.54 3bqc n PRO 267 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3bqc h ARG 268 N 0.00 0.00 0.00 0.54 2.43 -2.03 -1.54 114.38 113.78 3bqc h ARG 268 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3bqc h ARG 268 Cb 0.02 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3bqc h ARG 268 CO 0.00 0.00 -0.03 0.74 -1.51 0.00 0.00 179.97 179.17 3bqc h PHE 269 N 0.00 0.00 -0.96 2.20 -1.00 -1.51 -3.32 116.94 112.35 3bqc h PHE 269 Ca 0.10 0.00 0.13 0.00 2.81 0.00 0.00 57.97 61.00 3bqc h PHE 269 Cb 0.56 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.04 3bqc h PHE 269 CO 0.00 0.03 0.61 -0.91 -1.61 0.00 0.00 178.31 176.43 3bqc h ASN 270 N 0.00 0.84 0.19 2.17 -0.26 -1.49 0.25 115.58 117.28 3bqc h ASN 270 Ca -0.00 0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 3bqc h ASN 270 Cb 0.69 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.83 3bqc h ASN 270 CO 0.00 0.44 -0.20 0.47 -1.06 0.00 0.00 177.43 177.08 3bqc n ASP 271 N -4.60 1.11 0.00 5.81 10.43 -1.25 -4.49 116.55 123.56 3bqc n ASP 271 Ca 0.18 -1.01 0.00 0.00 2.57 0.00 0.00 54.79 56.54 3bqc n ASP 271 Cb 0.39 0.10 0.00 0.00 1.84 0.00 0.00 41.12 43.45 3bqc n ASP 271 CO 0.00 0.00 0.00 2.30 -1.07 0.00 0.00 177.20 178.43 3bqc n ILE 272 N -0.48 0.00 -0.02 0.53 -5.35 -0.53 -4.88 119.36 108.62 3bqc n ILE 272 Ca 0.14 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.45 3bqc n ILE 272 Cb 0.35 -0.01 -0.09 0.00 -1.74 0.00 0.00 39.64 38.15 3bqc n ILE 272 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3bqc h LEU 273 N 0.00 0.67 0.00 7.28 5.85 -1.22 -3.49 115.31 124.40 3bqc h LEU 273 Ca 0.00 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.05 3bqc h LEU 273 Cb 0.25 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3bqc h LEU 273 CO 0.00 1.24 0.00 0.61 -0.34 0.00 0.00 178.44 179.95 3bqc n GLY 274 N 0.80 -0.19 3.05 3.75 0.00 -1.26 -4.77 105.19 106.58 3bqc n GLY 274 Ca -0.09 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 3bqc n GLY 274 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bqc s ARG 275 N 0.00 2.28 -0.03 1.61 0.52 -1.26 -4.95 118.95 117.12 3bqc s ARG 275 Ca 0.00 -0.57 0.01 0.00 -0.52 0.00 0.00 55.73 54.65 3bqc s ARG 275 Cb 0.00 -1.97 0.02 0.00 0.52 0.00 0.00 34.95 33.52 3bqc s ARG 275 CO 0.00 -0.10 -0.04 -1.01 0.02 0.00 0.00 175.30 174.17 3bqc s HIS 276 N 1.10 0.59 0.60 -0.53 3.76 -1.26 -4.98 115.29 114.57 3bqc s HIS 276 Ca -0.04 -0.13 -0.15 0.00 -0.15 0.00 0.00 55.06 54.59 3bqc s HIS 276 Cb -0.14 -0.51 -0.03 0.00 1.11 0.00 0.00 32.58 33.00 3bqc s HIS 276 CO -0.04 -0.12 1.06 -1.54 -0.85 0.00 0.00 174.74 173.25 3bqc s SER 277 N 0.61 5.76 0.17 1.40 1.04 -1.26 -0.76 113.70 120.66 3bqc s SER 277 Ca -0.07 1.79 -0.31 0.00 0.48 0.00 0.00 55.95 57.84 3bqc s SER 277 Cb -0.11 -2.53 -0.10 0.00 0.10 0.00 0.00 66.02 63.39 3bqc s SER 277 CO -0.00 -1.18 1.53 -0.60 0.98 0.00 0.00 173.24 173.97 3bqc s ARG 278 N -4.16 4.23 0.14 4.02 3.52 -1.26 -3.86 118.95 121.59 3bqc s ARG 278 Ca 0.63 2.32 -0.12 0.00 -0.13 0.00 0.00 55.73 58.43 3bqc s ARG 278 Cb -0.16 -3.16 -0.07 0.00 -1.56 0.00 0.00 34.95 30.01 3bqc s ARG 278 CO 0.38 -0.56 0.51 0.15 -0.81 0.00 0.00 175.30 174.97 3bqc s LYS 279 N 0.90 3.89 0.34 5.12 -0.14 -0.14 -4.94 119.74 124.77 3bqc s LYS 279 Ca 0.68 0.37 -0.27 0.00 -1.36 0.00 0.00 55.97 55.40 3bqc s LYS 279 Cb -0.43 -2.90 -0.09 0.00 -1.68 0.00 0.00 37.83 32.73 3bqc s LYS 279 CO 0.33 0.47 1.09 1.03 -0.76 0.00 0.00 175.35 177.51 3bqc s ARG 280 N -2.10 4.37 0.56 1.68 0.52 -1.26 -4.91 118.95 117.82 3bqc s ARG 280 Ca 0.38 1.70 0.32 0.00 -0.52 0.00 0.00 55.73 57.62 3bqc s ARG 280 Cb -0.14 -2.87 1.67 0.00 0.52 0.00 0.00 34.95 34.13 3bqc s ARG 280 CO 0.19 -0.00 2.13 -1.49 0.02 0.00 0.00 175.30 176.16 3bqc h TRP 281 N 3.14 0.00 -0.00 -0.53 4.06 -1.97 -1.86 115.95 118.78 3bqc h TRP 281 Ca -0.48 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.47 3bqc h TRP 281 Cb 1.22 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.38 3bqc h TRP 281 CO 0.58 0.07 0.01 0.93 -3.56 0.00 0.00 178.44 176.46 3bqc h GLU 282 N 0.00 0.00 0.00 0.49 3.07 -1.97 -1.71 114.58 114.46 3bqc h GLU 282 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 3bqc h GLU 282 Cb 0.27 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.18 3bqc h GLU 282 CO 0.01 0.00 -0.07 -0.09 -1.40 0.00 0.00 179.01 177.46 3bqc h ARG 283 N 0.00 0.00 -0.02 2.33 2.43 -1.73 -2.30 114.38 115.10 3bqc h ARG 283 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3bqc h ARG 283 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3bqc h ARG 283 CO -0.00 0.07 -0.08 1.19 -1.51 0.00 0.00 179.97 179.64 3bqc n PHE 284 N -3.53 0.00 -3.14 2.20 3.72 -0.64 -4.89 117.46 111.18 3bqc n PHE 284 Ca -0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.99 3bqc n PHE 284 Cb 0.19 -0.03 -0.06 0.00 -0.94 0.00 0.00 39.48 38.65 3bqc n PHE 284 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3bqc s VAL 285 N -2.13 4.75 0.33 -4.37 1.01 -0.87 -4.89 120.40 114.24 3bqc s VAL 285 Ca 0.33 1.39 -0.08 0.00 0.00 0.00 0.00 61.98 63.62 3bqc s VAL 285 Cb 0.20 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.60 3bqc s VAL 285 CO 0.38 0.45 0.54 -1.38 0.00 0.00 0.00 175.10 175.09 3bqc s HIS 286 N -0.51 0.71 0.52 5.22 -3.43 -1.26 -5.03 115.29 111.51 3bqc s HIS 286 Ca 0.33 -1.06 0.22 0.00 -0.80 0.00 0.00 55.06 53.75 3bqc s HIS 286 Cb -0.20 0.17 1.45 0.00 -1.43 0.00 0.00 32.58 32.57 3bqc s HIS 286 CO 0.20 -1.19 2.15 0.66 -2.00 0.00 0.00 174.74 174.56 3bqc h SER 287 N 2.12 0.00 1.64 7.38 4.64 -2.00 -1.28 113.55 126.05 3bqc h SER 287 Ca -0.29 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3bqc h SER 287 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3bqc h SER 287 CO 0.38 0.04 -0.36 -0.33 -0.87 0.00 0.00 176.83 175.69 3bqc h GLU 288 N 0.00 0.00 -0.01 4.77 3.07 -1.99 -3.35 114.58 117.08 3bqc h GLU 288 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3bqc h GLU 288 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3bqc h GLU 288 CO 0.01 0.02 -0.02 0.27 -1.40 0.00 0.00 179.01 177.88 3bqc n ASN 289 N -2.96 1.56 0.23 1.42 0.23 -0.81 -4.78 115.26 110.15 3bqc n ASN 289 Ca 0.02 -1.28 0.09 0.00 -0.53 0.00 0.00 54.58 52.89 3bqc n ASN 289 Cb 0.55 0.06 0.54 0.00 -2.08 0.00 0.00 39.78 38.84 3bqc n ASN 289 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 3bqc h GLN 290 N 1.40 0.00 0.00 -3.83 3.07 -1.39 -0.15 115.11 114.21 3bqc h GLN 290 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3bqc h GLN 290 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.87 3bqc h GLN 290 CO 0.00 0.23 0.00 1.12 0.09 0.00 0.00 178.83 180.27 3bqc h HIS 291 N 0.00 0.00 -0.01 0.06 2.07 -1.86 -2.42 115.15 112.99 3bqc h HIS 291 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3bqc h HIS 291 Cb 0.56 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.54 3bqc h HIS 291 CO 0.00 0.00 -0.66 1.28 -3.07 0.00 0.00 177.93 175.48 3bqc n LEU 292 N -2.59 1.32 -4.55 6.12 4.77 -0.07 -4.67 117.00 117.33 3bqc n LEU 292 Ca -0.00 -0.51 -0.34 0.00 -0.03 0.00 0.00 56.01 55.13 3bqc n LEU 292 Cb 0.16 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.09 3bqc n LEU 292 CO 0.19 0.28 -0.34 -0.69 -1.33 0.00 0.00 177.39 175.49 3bqc s VAL 293 N -2.75 4.01 0.10 4.08 1.01 -0.91 -4.83 120.40 121.10 3bqc s VAL 293 Ca 0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 3bqc s VAL 293 Cb 0.17 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 3bqc s VAL 293 CO 0.70 0.52 0.02 -0.94 0.00 0.00 0.00 175.10 175.40 3bqc s SER 294 N -0.01 0.38 0.40 3.32 1.04 -1.26 -4.97 113.70 112.61 3bqc s SER 294 Ca 0.01 -1.13 0.14 0.00 0.48 0.00 0.00 55.95 55.46 3bqc s SER 294 Cb -0.13 0.26 0.99 0.00 0.10 0.00 0.00 66.02 67.24 3bqc s SER 294 CO 0.02 -0.68 1.88 -0.65 0.98 0.00 0.00 173.24 174.80 3bqc h PRO 295 N 2.98 0.48 -0.28 4.02 0.11 -2.00 -1.97 132.00 135.34 3bqc h PRO 295 Ca -0.35 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.56 3bqc h PRO 295 Cb 1.18 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3bqc h PRO 295 CO 0.62 0.32 -0.50 0.93 -0.21 0.00 0.00 178.00 179.16 3bqc h GLU 296 N 0.49 0.84 -0.49 1.05 3.07 -1.96 -1.28 114.58 116.30 3bqc h GLU 296 Ca 0.43 -0.52 0.03 0.00 -0.50 0.00 0.00 59.36 58.79 3bqc h GLU 296 Cb 0.92 0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.85 3bqc h GLU 296 CO -0.17 1.16 0.27 0.00 -1.40 0.00 0.00 179.01 178.88 3bqc h ALA 297 N 0.68 0.63 -0.28 3.43 0.00 -1.76 -1.43 119.26 120.53 3bqc h ALA 297 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3bqc h ALA 297 Cb 1.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3bqc h ALA 297 CO 0.11 -0.05 -0.47 -0.07 0.00 0.00 0.00 179.25 178.78 3bqc h LEU 298 N 0.54 0.80 -0.36 0.00 3.38 -1.15 -0.90 115.31 117.62 3bqc h LEU 298 Ca 0.21 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3bqc h LEU 298 Cb 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3bqc h LEU 298 CO -0.11 1.14 0.10 -0.78 0.09 0.00 0.00 178.44 178.88 3bqc h ASP 299 N 0.58 0.53 0.04 -0.43 3.58 -1.12 -0.79 116.42 118.82 3bqc h ASP 299 Ca 0.03 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.27 3bqc h ASP 299 Cb 1.03 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.94 3bqc h ASP 299 CO 0.10 0.60 -0.04 0.15 -2.88 0.00 0.00 179.24 177.17 3bqc h PHE 300 N 0.43 -0.11 -0.58 0.28 3.57 -1.16 -2.49 116.94 116.88 3bqc h PHE 300 Ca 0.11 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.66 3bqc h PHE 300 Cb 0.27 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 3bqc h PHE 300 CO 0.01 -0.07 0.32 1.25 -2.23 0.00 0.00 178.31 177.59 3bqc h LEU 301 N -0.10 0.47 -1.66 0.59 5.85 -1.06 -1.70 115.31 117.70 3bqc h LEU 301 Ca 0.00 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.84 3bqc h LEU 301 Cb 0.10 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3bqc h LEU 301 CO -0.01 0.32 0.39 -0.78 -0.34 0.00 0.00 178.44 178.02 3bqc h ASP 302 N 0.61 0.35 0.81 1.25 3.58 -0.97 -0.71 116.42 121.34 3bqc h ASP 302 Ca 0.25 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.71 3bqc h ASP 302 Cb 0.13 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.11 3bqc h ASP 302 CO -0.15 0.21 -0.31 0.29 -2.88 0.00 0.00 179.24 176.40 3bqc n LYS 303 N -4.47 0.06 -0.08 0.28 5.02 -0.68 -3.90 118.16 114.39 3bqc n LYS 303 Ca 0.09 0.03 -0.22 0.00 -2.02 0.00 0.00 58.31 56.19 3bqc n LYS 303 Cb 0.37 -1.55 -0.12 0.00 -0.02 0.00 0.00 35.03 33.71 3bqc n LYS 303 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3bqc n LEU 304 N -1.65 2.11 -3.98 -0.35 4.77 -0.64 -1.79 117.00 115.47 3bqc n LEU 304 Ca 0.06 0.34 -0.43 0.00 -0.03 0.00 0.00 56.01 55.95 3bqc n LEU 304 Cb 0.36 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 3bqc n LEU 304 CO 0.32 0.47 1.97 0.18 -1.33 0.00 0.00 177.39 179.00 3bqc n LEU 305 N -4.13 6.35 -4.28 2.23 4.77 -0.37 -4.47 117.00 117.11 3bqc n LEU 305 Ca -0.34 -4.50 -0.31 0.00 -0.03 0.00 0.00 56.01 50.82 3bqc n LEU 305 Cb 0.81 -1.54 -0.16 0.00 -2.33 0.00 0.00 43.42 40.19 3bqc n LEU 305 CO 0.24 1.17 -0.57 -0.13 -1.33 0.00 0.00 177.39 176.77 3bqc s ARG 306 N 1.19 2.44 0.16 3.23 0.52 -1.26 -4.91 118.95 120.33 3bqc s ARG 306 Ca 0.42 -0.91 -0.19 0.00 -0.52 0.00 0.00 55.73 54.53 3bqc s ARG 306 Cb 0.08 -2.13 0.08 0.00 0.52 0.00 0.00 34.95 33.50 3bqc s ARG 306 CO -0.01 0.42 1.65 1.88 0.02 0.00 0.00 175.30 179.26 3bqc h TYR 307 N 5.94 -0.40 -3.03 -0.53 0.05 -1.92 -3.39 116.97 113.69 3bqc h TYR 307 Ca -0.34 0.04 -0.57 0.00 0.05 0.00 0.00 58.73 57.90 3bqc h TYR 307 Cb 1.16 0.23 -0.04 0.00 1.01 0.00 0.00 36.73 39.09 3bqc h TYR 307 CO 0.42 -0.24 1.15 0.34 -1.05 0.00 0.00 178.16 178.78 3bqc s ASP 308 N -5.14 6.18 0.48 3.88 -1.08 -1.26 -4.71 116.67 115.02 3bqc s ASP 308 Ca -0.14 1.05 0.17 0.00 -0.52 0.00 0.00 52.55 53.11 3bqc s ASP 308 Cb 0.14 -2.53 1.17 0.00 -1.46 0.00 0.00 42.92 40.24 3bqc s ASP 308 CO 0.70 -1.52 2.03 1.12 0.52 0.00 0.00 175.17 178.02 3bqc h HIS 309 N 11.46 0.22 0.00 -5.34 2.07 -1.96 -0.52 115.15 121.08 3bqc h HIS 309 Ca -0.30 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.22 3bqc h HIS 309 Cb 1.13 -0.07 -0.00 0.00 2.57 0.00 0.00 27.41 31.04 3bqc h HIS 309 CO 0.96 0.11 -0.04 1.96 -3.07 0.00 0.00 177.93 177.85 3bqc h GLN 310 N 0.22 0.00 0.00 5.12 4.20 -1.94 -3.13 115.11 119.58 3bqc h GLN 310 Ca 0.20 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.85 3bqc h GLN 310 Cb 0.50 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3bqc h GLN 310 CO -0.04 0.04 -0.86 0.77 -0.67 0.00 0.00 178.83 178.07 3bqc h SER 311 N 0.00 0.00 -4.13 1.46 0.02 -1.47 -3.48 113.55 105.96 3bqc h SER 311 Ca -0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 3bqc h SER 311 Cb 0.53 0.00 0.15 0.00 0.14 0.00 0.00 62.40 63.22 3bqc h SER 311 CO 0.01 0.21 0.47 -0.13 -1.14 0.00 0.00 176.83 176.24 3bqc s ARG 312 N -3.18 2.53 0.35 3.45 0.52 -1.18 -4.94 118.95 116.50 3bqc s ARG 312 Ca 0.01 1.91 -0.28 0.00 -0.52 0.00 0.00 55.73 56.85 3bqc s ARG 312 Cb 0.08 -1.86 -0.12 0.00 0.52 0.00 0.00 34.95 33.57 3bqc s ARG 312 CO 0.77 -1.57 1.36 1.28 0.02 0.00 0.00 175.30 177.16 3bqc n LEU 313 N -2.08 3.94 -4.80 2.53 4.77 -0.74 -5.02 117.00 115.61 3bqc n LEU 313 Ca 0.15 1.21 -0.29 0.00 -0.03 0.00 0.00 56.01 57.04 3bqc n LEU 313 Cb 0.49 -1.53 0.11 0.00 -2.33 0.00 0.00 43.42 40.16 3bqc n LEU 313 CO 0.46 -0.27 0.71 0.42 -1.33 0.00 0.00 177.39 177.39 3bqc s THR 314 N -1.04 2.58 0.20 -5.08 -4.23 -1.26 -4.83 115.64 101.98 3bqc s THR 314 Ca 0.55 0.19 -0.11 0.00 -1.18 0.00 0.00 61.69 61.14 3bqc s THR 314 Cb -0.54 -2.94 0.11 0.00 1.34 0.00 0.00 72.50 70.48 3bqc s THR 314 CO 0.62 -0.25 1.79 0.00 -0.54 0.00 0.00 174.62 176.25 3bqc h ALA 315 N -1.27 0.77 -0.42 3.99 0.00 -1.94 0.73 119.26 121.12 3bqc h ALA 315 Ca -0.49 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 3bqc h ALA 315 Cb 1.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3bqc h ALA 315 CO 0.60 -0.03 -0.15 -0.09 0.00 0.00 0.00 179.25 179.58 3bqc h ARG 316 N 0.58 0.84 -0.90 0.00 9.65 -1.93 -1.72 114.38 120.91 3bqc h ARG 316 Ca 0.26 -0.35 -0.01 0.00 -1.10 0.00 0.00 59.98 58.79 3bqc h ARG 316 Cb 0.17 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.67 3bqc h ARG 316 CO -0.18 0.98 0.53 0.93 2.80 0.00 0.00 179.97 185.04 3bqc h GLU 317 N 0.66 1.22 -0.83 0.20 5.08 -1.86 -2.40 114.58 116.64 3bqc h GLU 317 Ca 0.10 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3bqc h GLU 317 Cb 0.70 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 3bqc h GLU 317 CO 0.05 0.86 0.55 0.00 -1.00 0.00 0.00 179.01 179.47 3bqc h ALA 318 N 1.35 1.06 0.00 3.43 0.00 -0.53 -2.02 119.26 122.55 3bqc h ALA 318 Ca 0.32 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3bqc h ALA 318 Cb -0.04 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 3bqc h ALA 318 CO -0.06 0.46 -0.11 0.52 0.00 0.00 0.00 179.25 180.06 3bqc h MET 319 N 1.13 0.00 0.00 0.00 2.86 -0.83 -1.74 114.93 116.34 3bqc h MET 319 Ca 0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 3bqc h MET 319 Cb -0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.53 3bqc h MET 319 CO -0.07 0.11 0.00 0.39 1.06 0.00 0.00 176.91 178.41 3bqc n GLU 320 N -3.63 0.03 -2.19 1.72 -0.58 -0.76 -4.89 120.64 110.34 3bqc n GLU 320 Ca -0.02 0.11 -0.39 0.00 -0.42 0.00 0.00 57.16 56.44 3bqc n GLU 320 Cb 0.23 -1.55 -0.02 0.00 -0.57 0.00 0.00 31.44 29.54 3bqc n GLU 320 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3bqc s HIS 321 N -3.02 3.02 0.59 -0.32 2.46 -0.66 -4.90 115.29 112.45 3bqc s HIS 321 Ca 0.11 1.49 0.29 0.00 0.47 0.00 0.00 55.06 57.42 3bqc s HIS 321 Cb 0.15 -3.53 1.48 0.00 -0.13 0.00 0.00 32.58 30.55 3bqc s HIS 321 CO 0.45 -1.62 1.90 -1.35 -2.47 0.00 0.00 174.74 171.65 3bqc h PRO 322 N 2.87 0.00 -0.98 2.88 0.11 -1.92 -1.93 132.00 133.03 3bqc h PRO 322 Ca -0.49 0.00 0.27 0.00 0.11 0.00 0.00 66.00 65.89 3bqc h PRO 322 Cb 1.24 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 3bqc h PRO 322 CO 0.63 0.00 0.68 -0.92 -0.21 0.00 0.00 178.00 178.18 3bqc h TYR 323 N 0.00 0.21 -0.02 0.65 3.20 -1.91 -1.43 116.97 117.67 3bqc h TYR 323 Ca 0.22 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.10 3bqc h TYR 323 Cb 1.19 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.40 3bqc h TYR 323 CO 0.00 0.04 -0.07 1.19 -1.64 0.00 0.00 178.16 177.67 3bqc n PHE 324 N -4.36 0.00 -0.14 -3.82 3.72 -0.73 -4.25 117.46 107.89 3bqc n PHE 324 Ca 0.21 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.67 3bqc n PHE 324 Cb 0.96 -0.01 0.38 0.00 -0.94 0.00 0.00 39.48 39.86 3bqc n PHE 324 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 3bqc h TYR 325 N 3.27 0.69 -0.01 1.38 0.05 -1.38 -1.78 116.97 119.19 3bqc h TYR 325 Ca 0.00 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.75 3bqc h TYR 325 Cb 0.74 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 3bqc h TYR 325 CO 0.00 0.38 -0.24 1.15 -1.05 0.00 0.00 178.16 178.40 3bqc h THR 326 N 0.70 1.18 -3.28 -2.88 2.02 -1.77 -3.44 112.91 105.44 3bqc h THR 326 Ca 0.27 -0.85 -0.55 0.00 0.77 0.00 0.00 66.41 66.06 3bqc h THR 326 Cb 0.20 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 3bqc h THR 326 CO -0.08 0.24 0.53 -0.69 0.37 0.00 0.00 175.52 175.90 3bqc s VAL 327 N -4.50 4.73 0.17 3.16 1.01 -0.67 -4.98 120.40 119.32 3bqc s VAL 327 Ca -0.04 1.99 -0.32 0.00 0.00 0.00 0.00 61.98 63.62 3bqc s VAL 327 Cb 0.15 -4.28 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 3bqc s VAL 327 CO 0.71 0.04 1.58 -0.69 0.00 0.00 0.00 175.10 176.74 3bqc s VAL 328 N 1.78 2.57 -0.08 2.92 1.01 -1.26 -4.99 120.40 122.35 3bqc s VAL 328 Ca 0.50 0.41 -0.09 0.00 0.00 0.00 0.00 61.98 62.80 3bqc s VAL 328 Cb -0.20 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 3bqc s VAL 328 CO 0.21 0.03 0.23 -0.54 0.00 0.00 0.00 175.10 175.03 3bqc s LYS 329 N 1.13 3.59 0.00 2.72 -0.14 -1.26 -5.14 119.74 120.64 3bqc s LYS 329 Ca 0.70 0.04 0.12 0.00 -1.36 0.00 0.00 55.97 55.47 3bqc s LYS 329 Cb -0.44 -3.20 0.69 0.00 -1.68 0.00 0.00 37.83 33.20 3bqc s LYS 329 CO 0.31 0.75 1.12 -0.25 -0.76 0.00 0.00 175.35 176.53