#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqe s PRO 2 N 0.00 2.28 0.06 0.00 0.04 -1.24 -4.68 135.00 131.47 3gqe s PRO 2 Ca 0.00 1.27 0.06 0.00 0.04 0.00 0.00 61.00 62.37 3gqe s PRO 2 Cb 0.00 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 3gqe s PRO 2 CO 0.00 -1.64 -0.15 -1.54 0.04 0.00 0.00 177.00 173.71 3gqe s SER 3 N -3.10 1.84 -0.03 6.66 1.04 -0.17 -4.95 113.70 114.99 3gqe s SER 3 Ca 0.63 -0.57 0.05 0.00 0.48 0.00 0.00 55.95 56.55 3gqe s SER 3 Cb -0.19 -0.09 -0.01 0.00 0.10 0.00 0.00 66.02 65.83 3gqe s SER 3 CO 0.52 -0.01 -0.18 -0.31 0.98 0.00 0.00 173.24 174.25 3gqe s TYR 4 N -1.09 1.72 -0.01 5.02 1.51 -1.26 0.17 117.35 123.42 3gqe s TYR 4 Ca 0.01 -0.43 -0.03 0.00 -1.01 0.00 0.00 57.07 55.61 3gqe s TYR 4 Cb -0.09 -1.14 -0.00 0.00 -0.11 0.00 0.00 41.96 40.62 3gqe s TYR 4 CO 0.02 -0.11 0.06 -3.38 -1.11 0.00 0.00 175.55 171.03 3gqe s HIS 5 N -0.16 0.04 -0.07 2.71 -3.43 -0.50 -4.98 115.29 108.90 3gqe s HIS 5 Ca 0.01 -0.07 -0.20 0.00 -0.80 0.00 0.00 55.06 53.99 3gqe s HIS 5 Cb -0.10 -0.05 -0.04 0.00 -1.43 0.00 0.00 32.58 30.96 3gqe s HIS 5 CO 0.01 -0.13 0.57 0.08 -2.00 0.00 0.00 174.74 173.27 3gqe s VAL 6 N -0.66 5.07 -0.11 -5.38 1.01 -1.26 -0.09 120.40 118.97 3gqe s VAL 6 Ca -0.07 1.17 0.02 0.00 0.00 0.00 0.00 61.98 63.10 3gqe s VAL 6 Cb -0.05 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.44 3gqe s VAL 6 CO 0.00 0.34 -0.15 -0.69 0.00 0.00 0.00 175.10 174.59 3gqe s VAL 7 N 0.40 1.52 -0.34 2.92 1.01 0.00 -4.89 120.40 121.03 3gqe s VAL 7 Ca 0.31 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 3gqe s VAL 7 Cb -0.17 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 3gqe s VAL 7 CO 0.15 0.45 0.43 -0.60 0.00 0.00 0.00 175.10 175.52 3gqe s ARG 8 N 1.00 3.63 0.00 2.72 3.52 -1.26 -1.37 118.95 127.19 3gqe s ARG 8 Ca -0.06 -0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 3gqe s ARG 8 Cb -0.15 -3.79 0.00 0.00 -1.56 0.00 0.00 34.95 29.45 3gqe s ARG 8 CO -0.02 -0.55 0.00 0.41 -0.81 0.00 0.00 175.30 174.33 3gqe n GLY 9 N 4.86 -0.54 3.56 8.12 0.00 -0.93 -4.99 105.19 115.28 3gqe n GLY 9 Ca -0.07 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 3gqe n GLY 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gqe s ASP 10 N -4.00 6.48 0.64 1.61 2.15 -1.26 -4.67 116.67 117.62 3gqe s ASP 10 Ca 0.00 0.11 0.38 0.00 0.43 0.00 0.00 52.55 53.47 3gqe s ASP 10 Cb 0.00 -2.39 2.13 0.00 -0.30 0.00 0.00 42.92 42.36 3gqe s ASP 10 CO 0.00 -0.84 2.28 -0.29 -0.17 0.00 0.00 175.17 176.15 3gqe h ILE 11 N 5.89 0.19 0.00 4.11 2.10 -1.97 0.25 117.51 128.08 3gqe h ILE 11 Ca -0.25 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.69 3gqe h ILE 11 Cb 1.09 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 37.77 3gqe h ILE 11 CO 0.94 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 178.01 3gqe h ALA 12 N 1.92 1.00 -0.02 0.18 0.00 -1.92 -2.25 119.26 118.17 3gqe h ALA 12 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gqe h ALA 12 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3gqe h ALA 12 CO -0.00 0.00 -0.07 0.25 0.00 0.00 0.00 179.25 179.43 3gqe n THR 13 N -2.55 0.00 -1.61 0.00 -2.24 0.89 -5.00 114.28 103.76 3gqe n THR 13 Ca 0.00 -0.32 -0.46 0.00 -2.27 0.00 0.00 64.05 61.00 3gqe n THR 13 Cb 0.17 0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 69.28 3gqe n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gqe n ALA 14 N 0.47 0.03 0.70 6.98 0.00 -0.85 -4.91 120.51 122.93 3gqe n ALA 14 Ca 0.16 0.42 0.12 0.00 0.00 0.00 0.00 53.44 54.14 3gqe n ALA 14 Cb 0.45 -2.11 0.26 0.00 0.00 0.00 0.00 19.45 18.04 3gqe n ALA 14 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gqe n THR 15 N 1.25 0.28 -1.43 0.00 -2.24 -1.26 -4.94 114.28 105.95 3gqe n THR 15 Ca 0.12 -0.20 -0.31 0.00 -2.27 0.00 0.00 64.05 61.40 3gqe n THR 15 Cb 0.29 -0.14 0.08 0.00 -2.10 0.00 0.00 70.33 68.46 3gqe n THR 15 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3gqe s GLU 16 N -3.11 2.31 0.53 -0.78 1.03 -1.26 -4.95 118.70 112.47 3gqe s GLU 16 Ca 0.08 0.91 0.31 0.00 0.03 0.00 0.00 54.97 56.31 3gqe s GLU 16 Cb 0.15 -1.92 1.22 0.00 -0.80 0.00 0.00 34.13 32.77 3gqe s GLU 16 CO 0.68 -1.53 1.93 0.78 -1.33 0.00 0.00 175.26 175.79 3gqe h GLY 17 N -1.04 0.00 -6.33 -3.83 0.00 -1.92 -3.43 103.07 86.53 3gqe h GLY 17 Ca -0.45 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.42 3gqe h GLY 17 CO 0.56 0.00 -0.79 0.14 0.00 0.00 0.00 176.54 176.45 3gqe s VAL 18 N -3.63 0.74 -0.08 4.60 1.01 -1.18 -3.17 120.40 118.69 3gqe s VAL 18 Ca 0.02 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.83 3gqe s VAL 18 Cb 0.09 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.72 3gqe s VAL 18 CO 0.57 0.29 -0.19 -0.63 0.00 0.00 0.00 175.10 175.14 3gqe s ILE 19 N 1.15 1.64 -0.07 2.22 1.01 -0.93 -0.50 121.20 125.71 3gqe s ILE 19 Ca -0.07 -0.77 -0.25 0.00 0.00 0.00 0.00 60.65 59.56 3gqe s ILE 19 Cb -0.14 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 3gqe s ILE 19 CO -0.01 0.47 0.77 -0.63 0.00 0.00 0.00 174.94 175.53 3gqe s ILE 20 N 0.48 4.99 -0.38 2.92 1.09 -0.27 -1.95 121.20 128.09 3gqe s ILE 20 Ca -0.17 1.58 -0.21 0.00 -1.10 0.00 0.00 60.65 60.76 3gqe s ILE 20 Cb -0.17 -4.10 0.01 0.00 -1.06 0.00 0.00 42.46 37.13 3gqe s ILE 20 CO 0.07 0.20 0.65 0.21 -0.10 0.00 0.00 174.94 175.97 3gqe s ASN 21 N 0.89 6.41 -1.05 3.58 2.47 -0.55 -4.60 114.94 122.09 3gqe s ASN 21 Ca 0.40 0.04 -0.26 0.00 0.42 0.00 0.00 52.86 53.47 3gqe s ASN 21 Cb -0.18 -2.33 -0.17 0.00 -1.45 0.00 0.00 41.25 37.12 3gqe s ASN 21 CO 0.19 -0.66 2.11 0.00 -3.72 0.00 0.00 177.10 175.02 3gqe s ALA 22 N 2.78 0.87 0.64 1.71 0.00 -1.26 -1.94 121.76 124.56 3gqe s ALA 22 Ca 0.25 -1.54 -0.10 0.00 0.00 0.00 0.00 51.96 50.56 3gqe s ALA 22 Cb -0.14 -4.67 -0.01 0.00 0.00 0.00 0.00 23.12 18.29 3gqe s ALA 22 CO 0.16 -6.28 1.03 0.00 0.00 0.00 0.00 175.76 170.67 3gqe s ALA 23 N 14.95 3.05 0.48 0.00 0.00 -0.48 -0.59 121.76 139.17 3gqe s ALA 23 Ca 0.79 -0.27 0.08 0.00 0.00 0.00 0.00 51.96 52.57 3gqe s ALA 23 Cb -0.05 -2.99 0.03 0.00 0.00 0.00 0.00 23.12 20.11 3gqe s ALA 23 CO 0.14 -0.86 0.61 0.54 0.00 0.00 0.00 175.76 176.20 3gqe s ASN 24 N -4.26 5.37 0.04 0.00 2.20 -0.47 -4.37 114.94 113.44 3gqe s ASN 24 Ca 0.56 -0.63 0.06 0.00 -0.94 0.00 0.00 52.86 51.91 3gqe s ASN 24 Cb -0.11 -0.29 0.30 0.00 -2.00 0.00 0.00 41.25 39.15 3gqe s ASN 24 CO 0.52 -0.95 1.20 -1.54 -2.94 0.00 0.00 177.10 173.39 3gqe n SER 25 N -1.94 0.07 -0.86 3.54 3.41 -1.26 -0.49 113.62 116.08 3gqe n SER 25 Ca 0.10 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.35 3gqe n SER 25 Cb 0.60 -0.54 0.28 0.00 -0.26 0.00 0.00 64.21 64.30 3gqe n SER 25 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gqe n LYS 26 N -1.59 2.14 -0.06 4.33 5.02 -1.26 -0.87 118.16 125.88 3gqe n LYS 26 Ca 0.01 -1.71 0.00 0.00 -2.02 0.00 0.00 58.31 54.59 3gqe n LYS 26 Cb 0.06 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 3gqe n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gqe n GLY 27 N 1.32 1.71 3.76 0.72 0.00 0.35 -4.09 105.19 108.96 3gqe n GLY 27 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3gqe n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gqe s GLN 28 N -0.40 2.09 0.31 1.61 -0.21 -1.26 -4.73 119.66 117.07 3gqe s GLN 28 Ca 0.00 1.17 -0.30 0.00 0.02 0.00 0.00 55.36 56.25 3gqe s GLN 28 Cb 0.00 -1.88 -0.11 0.00 1.00 0.00 0.00 33.01 32.02 3gqe s GLN 28 CO 0.00 -1.76 1.59 -2.14 -2.12 0.00 0.00 175.29 170.86 3gqe s PRO 29 N -4.89 4.11 0.49 2.91 0.02 -1.25 -1.37 135.00 135.01 3gqe s PRO 29 Ca 0.62 2.60 0.16 0.00 0.02 0.00 0.00 61.00 64.40 3gqe s PRO 29 Cb -0.18 -3.01 1.19 0.00 0.02 0.00 0.00 34.50 32.53 3gqe s PRO 29 CO 0.56 -0.63 2.08 0.78 -0.33 0.00 0.00 177.00 179.46 3gqe h GLY 30 N 4.51 0.19 1.50 0.52 0.00 -1.08 -1.83 103.07 106.88 3gqe h GLY 30 Ca -0.48 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3gqe h GLY 30 CO 0.77 0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.97 3gqe n GLY 31 N -1.55 -1.18 0.00 4.60 0.00 -1.26 -4.90 105.19 100.91 3gqe n GLY 31 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3gqe n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqe n GLY 32 N 1.07 3.74 0.28 -0.02 0.00 -0.69 -4.85 105.19 104.72 3gqe n GLY 32 Ca 0.14 -1.41 0.08 0.00 0.00 0.00 0.00 46.02 44.83 3gqe n GLY 32 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3gqe h VAL 33 N 1.00 1.01 -0.54 1.61 3.04 -1.94 -2.70 116.25 117.74 3gqe h VAL 33 Ca 0.00 -0.05 -0.33 0.00 -1.01 0.00 0.00 66.70 65.31 3gqe h VAL 33 Cb 0.00 0.85 -0.20 0.00 -2.01 0.00 0.00 31.29 29.93 3gqe h VAL 33 CO 0.00 0.03 -0.03 0.00 -1.01 0.00 0.00 177.57 176.55 3gqe n GLY 35 N -1.04 -0.48 0.42 0.00 0.00 -1.02 -4.72 105.19 98.35 3gqe n GLY 35 Ca 0.41 0.03 0.22 0.00 0.00 0.00 0.00 46.02 46.68 3gqe n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqe h ALA 36 N 1.09 2.29 -0.06 4.61 0.00 -1.95 -0.46 119.26 124.78 3gqe h ALA 36 Ca -0.45 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 3gqe h ALA 36 Cb 1.36 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3gqe h ALA 36 CO 0.54 -0.65 -0.55 1.25 0.00 0.00 0.00 179.25 179.83 3gqe h LEU 37 N 0.37 0.19 0.19 0.00 5.85 -1.96 -2.04 115.31 117.91 3gqe h LEU 37 Ca 0.55 -0.10 -0.25 0.00 0.84 0.00 0.00 57.88 58.91 3gqe h LEU 37 Cb 1.44 -0.06 0.03 0.00 0.37 0.00 0.00 40.66 42.45 3gqe h LEU 37 CO -0.23 0.71 -1.11 0.22 -0.34 0.00 0.00 178.44 177.69 3gqe h TYR 38 N 0.13 0.73 -1.00 1.25 3.20 -1.43 -0.77 116.97 119.08 3gqe h TYR 38 Ca -0.00 -0.53 0.14 0.00 3.14 0.00 0.00 58.73 61.48 3gqe h TYR 38 Cb 1.02 -0.03 -0.09 0.00 1.54 0.00 0.00 36.73 39.17 3gqe h TYR 38 CO 0.01 1.43 0.63 0.87 -1.64 0.00 0.00 178.16 179.46 3gqe h LYS 39 N -0.15 0.89 0.15 1.82 1.57 -1.33 -2.05 116.57 117.46 3gqe h LYS 39 Ca -0.20 -0.05 -0.26 0.00 -1.87 0.00 0.00 60.65 58.27 3gqe h LYS 39 Cb 1.87 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 33.99 3gqe h LYS 39 CO 0.20 0.59 -1.24 -0.22 -0.57 0.00 0.00 179.45 178.21 3gqe h LYS 40 N 0.92 0.32 -1.76 3.15 3.64 -1.35 -3.40 116.57 118.09 3gqe h LYS 40 Ca 0.52 -0.54 -0.55 0.00 -1.27 0.00 0.00 60.65 58.81 3gqe h LYS 40 Cb 0.63 0.20 -0.42 0.00 -0.41 0.00 0.00 32.23 32.23 3gqe h LYS 40 CO -0.30 1.26 -0.80 1.19 -2.27 0.00 0.00 179.45 178.53 3gqe n PHE 41 N -3.94 3.09 0.01 1.91 3.72 -0.30 -4.92 117.46 117.03 3gqe n PHE 41 Ca -0.20 -3.44 0.00 0.00 -0.05 0.00 0.00 57.45 53.76 3gqe n PHE 41 Cb 0.92 -0.28 0.01 0.00 -0.94 0.00 0.00 39.48 39.18 3gqe n PHE 41 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3gqe n PRO 42 N -0.29 0.00 0.00 -1.08 -0.04 -0.78 -0.19 135.00 132.62 3gqe n PRO 42 Ca 0.32 0.47 0.12 0.00 -0.04 0.00 0.00 63.50 64.36 3gqe n PRO 42 Cb 0.59 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.73 3gqe n PRO 42 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3gqe n GLU 43 N -1.48 0.35 -0.85 0.54 0.00 -1.26 -3.53 120.64 114.42 3gqe n GLU 43 Ca 0.00 -0.24 0.06 0.00 0.00 0.00 0.00 57.16 56.98 3gqe n GLU 43 Cb 0.00 -1.50 0.38 0.00 0.00 0.00 0.00 31.44 30.32 3gqe n GLU 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 3gqe n SER 44 N -1.11 5.40 -3.97 -1.84 7.64 0.73 -4.76 113.62 115.71 3gqe n SER 44 Ca 0.07 -2.88 -0.31 0.00 1.01 0.00 0.00 58.87 56.76 3gqe n SER 44 Cb 0.35 -0.68 -0.16 0.00 -1.01 0.00 0.00 64.21 62.72 3gqe n SER 44 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3gqe s PHE 45 N -2.66 2.55 -0.07 1.43 0.08 -1.23 -4.71 117.98 113.38 3gqe s PHE 45 Ca 0.51 -1.84 0.13 0.00 0.12 0.00 0.00 56.93 55.86 3gqe s PHE 45 Cb 0.39 -1.65 -0.10 0.00 -0.57 0.00 0.00 43.02 41.09 3gqe s PHE 45 CO 0.15 -0.79 1.10 0.38 -0.10 0.00 0.00 175.22 175.96 3gqe h ASP 46 N 7.92 0.00 -4.65 1.36 3.04 -1.88 -3.48 116.42 118.73 3gqe h ASP 46 Ca -0.19 0.00 -0.31 0.00 -3.24 0.00 0.00 57.03 53.28 3gqe h ASP 46 Cb 1.07 0.00 0.10 0.00 -1.04 0.00 0.00 39.33 39.46 3gqe h ASP 46 CO 0.43 0.71 -0.53 0.18 -2.04 0.00 0.00 179.24 177.99 3gqe n LEU 47 N -3.13 -3.02 -4.94 0.15 4.77 -1.26 -5.02 117.00 104.54 3gqe n LEU 47 Ca -0.05 -0.40 -0.27 0.00 -0.03 0.00 0.00 56.01 55.27 3gqe n LEU 47 Cb 0.86 -2.48 -0.03 0.00 -2.33 0.00 0.00 43.42 39.44 3gqe n LEU 47 CO 0.43 0.48 -0.10 -1.10 -1.33 0.00 0.00 177.39 175.77 3gqe s GLN 48 N -5.96 3.44 0.66 3.23 -1.52 -1.26 -4.87 119.66 113.38 3gqe s GLN 48 Ca 0.43 -0.57 -0.15 0.00 -1.95 0.00 0.00 55.36 53.13 3gqe s GLN 48 Cb -0.19 -2.97 -0.00 0.00 -0.22 0.00 0.00 33.01 29.63 3gqe s GLN 48 CO 0.54 0.52 1.11 -2.14 -0.25 0.00 0.00 175.29 175.07 3gqe s PRO 49 N -3.17 2.82 -0.11 2.91 0.02 -1.26 -3.90 135.00 132.31 3gqe s PRO 49 Ca 0.35 1.37 -0.06 0.00 0.02 0.00 0.00 61.00 62.67 3gqe s PRO 49 Cb -0.11 -1.95 0.05 0.00 0.02 0.00 0.00 34.50 32.50 3gqe s PRO 49 CO 0.28 -1.23 0.26 0.42 -0.33 0.00 0.00 177.00 176.40 3gqe s ILE 50 N -2.37 -0.04 0.54 2.83 1.01 -0.05 -4.94 121.20 118.19 3gqe s ILE 50 Ca 0.66 0.14 -0.09 0.00 0.00 0.00 0.00 60.65 61.36 3gqe s ILE 50 Cb -0.20 -0.40 -0.04 0.00 0.01 0.00 0.00 42.46 41.83 3gqe s ILE 50 CO 0.42 0.06 0.90 -1.83 0.00 0.00 0.00 174.94 174.49 3gqe s GLU 51 N 1.22 3.62 0.11 2.79 -1.05 -1.26 -4.28 118.70 119.84 3gqe s GLU 51 Ca -0.09 0.52 -0.33 0.00 -0.15 0.00 0.00 54.97 54.91 3gqe s GLU 51 Cb -0.10 -2.23 -0.13 0.00 -0.44 0.00 0.00 34.13 31.23 3gqe s GLU 51 CO -0.08 -0.35 1.69 0.28 0.95 0.00 0.00 175.26 177.74 3gqe n VAL 52 N -2.33 0.17 0.00 1.83 0.31 -1.26 -2.32 118.33 114.72 3gqe n VAL 52 Ca 0.04 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3gqe n VAL 52 Cb 0.54 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 3gqe n VAL 52 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gqe n GLY 53 N 3.77 0.34 3.71 2.92 0.00 0.99 -5.00 105.19 111.92 3gqe n GLY 53 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 3gqe n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqe s LYS 54 N -0.97 2.18 -0.01 1.61 3.01 -0.98 -3.06 119.74 121.52 3gqe s LYS 54 Ca 0.00 -1.87 -0.09 0.00 -1.01 0.00 0.00 55.97 53.00 3gqe s LYS 54 Cb 0.00 -1.93 0.01 0.00 -1.01 0.00 0.00 37.83 34.90 3gqe s LYS 54 CO 0.00 -0.08 0.19 0.00 0.51 0.00 0.00 175.35 175.97 3gqe s ALA 55 N -2.60 -0.46 -0.03 5.17 0.00 -1.26 -1.53 121.76 121.06 3gqe s ALA 55 Ca 0.40 0.05 -0.00 0.00 0.00 0.00 0.00 51.96 52.40 3gqe s ALA 55 Cb 0.04 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.25 3gqe s ALA 55 CO 0.22 -0.21 0.03 0.50 0.00 0.00 0.00 175.76 176.29 3gqe s ARG 56 N -1.22 0.04 0.00 0.00 3.52 -0.03 -4.93 118.95 116.33 3gqe s ARG 56 Ca -0.13 0.20 -0.30 0.00 -0.13 0.00 0.00 55.73 55.37 3gqe s ARG 56 Cb -0.06 -0.36 -0.04 0.00 -1.56 0.00 0.00 34.95 32.93 3gqe s ARG 56 CO 0.02 -0.20 1.11 -1.17 -0.81 0.00 0.00 175.30 174.25 3gqe s LEU 57 N 1.29 4.34 -0.29 -0.88 2.96 -1.26 -0.48 118.68 124.36 3gqe s LEU 57 Ca -0.06 1.81 -0.02 0.00 -0.22 0.00 0.00 54.13 55.64 3gqe s LEU 57 Cb -0.13 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 43.04 3gqe s LEU 57 CO -0.03 -0.42 -0.02 -0.69 -1.32 0.00 0.00 176.35 173.88 3gqe s VAL 58 N 1.35 2.96 0.11 1.68 1.01 0.83 -4.99 120.40 123.35 3gqe s VAL 58 Ca 0.55 -1.30 -0.31 0.00 0.00 0.00 0.00 61.98 60.92 3gqe s VAL 58 Cb -0.25 -2.66 -0.07 0.00 0.00 0.00 0.00 36.38 33.41 3gqe s VAL 58 CO 0.26 -0.04 1.24 -0.54 0.00 0.00 0.00 175.10 176.03 3gqe s LYS 59 N 1.27 4.42 0.10 2.72 1.02 -1.26 -1.82 119.74 126.18 3gqe s LYS 59 Ca -0.04 1.88 0.04 0.00 0.02 0.00 0.00 55.97 57.87 3gqe s LYS 59 Cb -0.19 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 3gqe s LYS 59 CO -0.02 -0.25 -0.11 0.20 -0.92 0.00 0.00 175.35 174.25 3gqe s GLY 60 N 0.77 0.89 0.18 -3.33 0.00 -1.12 -4.94 107.32 99.78 3gqe s GLY 60 Ca 0.58 -1.18 -0.13 0.00 0.00 0.00 0.00 44.72 43.99 3gqe s GLY 60 CO 0.32 -1.25 1.73 0.00 0.00 0.00 0.00 173.10 173.90 3gqe h ALA 61 N 3.65 0.55 0.01 3.20 0.00 -1.96 -3.27 119.26 121.44 3gqe h ALA 61 Ca -0.38 0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.42 3gqe h ALA 61 Cb 1.19 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3gqe h ALA 61 CO 0.51 -0.28 -1.07 0.00 0.00 0.00 0.00 179.25 178.41 3gqe h ALA 62 N 1.35 0.22 -3.47 0.00 0.00 -2.02 -3.48 119.26 111.86 3gqe h ALA 62 Ca 0.24 -1.09 -0.21 0.00 0.00 0.00 0.00 54.91 53.85 3gqe h ALA 62 Cb 0.29 0.60 -0.26 0.00 0.00 0.00 0.00 17.79 18.42 3gqe h ALA 62 CO -0.28 0.60 -0.69 0.21 0.00 0.00 0.00 179.25 179.09 3gqe s LYS 63 N -2.35 0.11 -0.13 0.00 2.47 -1.23 -5.09 119.74 113.52 3gqe s LYS 63 Ca -0.27 -0.14 -0.23 0.00 -1.56 0.00 0.00 55.97 53.78 3gqe s LYS 63 Cb 0.04 0.04 -0.03 0.00 -1.46 0.00 0.00 37.83 36.43 3gqe s LYS 63 CO 0.62 -0.02 0.69 -1.01 0.16 0.00 0.00 175.35 175.79 3gqe s HIS 64 N -0.40 3.48 -0.10 4.03 3.76 -1.19 -2.77 115.29 122.10 3gqe s HIS 64 Ca -0.04 1.12 0.03 0.00 -0.15 0.00 0.00 55.06 56.01 3gqe s HIS 64 Cb -0.03 -2.82 -0.01 0.00 1.11 0.00 0.00 32.58 30.83 3gqe s HIS 64 CO -0.00 -0.05 -0.18 0.42 -0.85 0.00 0.00 174.74 174.08 3gqe s ILE 65 N 1.38 2.64 -0.36 0.60 -1.09 -0.76 -2.18 121.20 121.43 3gqe s ILE 65 Ca 0.34 -0.83 -0.09 0.00 -2.23 0.00 0.00 60.65 57.84 3gqe s ILE 65 Cb -0.17 -2.05 0.03 0.00 -1.58 0.00 0.00 42.46 38.69 3gqe s ILE 65 CO 0.14 0.55 0.17 -0.63 -1.23 0.00 0.00 174.94 173.94 3gqe s ILE 66 N 0.10 4.31 -0.48 2.92 1.01 -0.82 -0.12 121.20 128.12 3gqe s ILE 66 Ca -0.08 -0.93 -0.25 0.00 0.00 0.00 0.00 60.65 59.39 3gqe s ILE 66 Cb -0.15 -3.41 0.03 0.00 0.01 0.00 0.00 42.46 38.94 3gqe s ILE 66 CO 0.05 -0.20 0.90 -1.00 0.00 0.00 0.00 174.94 174.69 3gqe s HIS 67 N 1.51 2.91 -0.13 3.97 3.76 0.37 -1.49 115.29 126.18 3gqe s HIS 67 Ca 0.01 0.24 0.01 0.00 -0.15 0.00 0.00 55.06 55.17 3gqe s HIS 67 Cb -0.19 -3.92 -0.00 0.00 1.11 0.00 0.00 32.58 29.57 3gqe s HIS 67 CO 0.05 -1.13 -0.17 0.00 -0.85 0.00 0.00 174.74 172.65 3gqe s ALA 68 N 3.69 2.45 -0.55 -1.40 0.00 -0.82 -0.85 121.76 124.28 3gqe s ALA 68 Ca 0.34 -0.98 -0.17 0.00 0.00 0.00 0.00 51.96 51.14 3gqe s ALA 68 Cb -0.11 -1.11 0.11 0.00 0.00 0.00 0.00 23.12 22.00 3gqe s ALA 68 CO 0.24 0.12 0.58 0.08 0.00 0.00 0.00 175.76 176.78 3gqe s VAL 69 N 0.57 5.03 0.57 0.00 1.01 -0.58 -1.38 120.40 125.62 3gqe s VAL 69 Ca -0.10 -1.15 -0.09 0.00 0.00 0.00 0.00 61.98 60.64 3gqe s VAL 69 Cb -0.16 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 3gqe s VAL 69 CO 0.04 -0.93 0.94 -0.83 0.00 0.00 0.00 175.10 174.33 3gqe s GLY 70 N 3.39 1.63 0.57 4.51 0.00 -1.26 -0.01 107.32 116.15 3gqe s GLY 70 Ca 0.08 -0.22 -0.19 0.00 0.00 0.00 0.00 44.72 44.39 3gqe s GLY 70 CO 0.06 0.02 1.19 2.56 0.00 0.00 0.00 173.10 176.93 3gqe s PRO 71 N -4.98 3.10 -0.47 2.90 0.04 -1.26 -4.85 135.00 129.49 3gqe s PRO 71 Ca 0.53 1.79 -0.16 0.00 0.04 0.00 0.00 61.00 63.19 3gqe s PRO 71 Cb -0.11 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.52 3gqe s PRO 71 CO 0.50 -1.09 0.42 1.21 0.04 0.00 0.00 177.00 178.08 3gqe s ASN 72 N -1.60 6.16 0.03 6.66 2.47 -1.26 -4.57 114.94 122.82 3gqe s ASN 72 Ca 0.76 -1.17 0.19 0.00 0.42 0.00 0.00 52.86 53.06 3gqe s ASN 72 Cb -0.29 -2.20 0.80 0.00 -1.45 0.00 0.00 41.25 38.10 3gqe s ASN 72 CO 0.32 -0.66 1.60 0.49 -3.72 0.00 0.00 177.10 175.13 3gqe n PHE 73 N 5.38 0.10 0.24 0.43 3.01 0.72 -1.62 117.46 125.73 3gqe n PHE 73 Ca -0.11 0.04 0.08 0.00 1.01 0.00 0.00 57.45 58.46 3gqe n PHE 73 Cb 0.45 -0.56 0.59 0.00 -0.01 0.00 0.00 39.48 39.95 3gqe n PHE 73 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3gqe h ASN 74 N 0.00 0.00 0.00 4.37 2.35 -1.85 -3.35 115.58 117.10 3gqe h ASN 74 Ca 0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 3gqe h ASN 74 Cb 0.33 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 3gqe h ASN 74 CO 0.00 0.13 -1.51 0.29 -1.65 0.00 0.00 177.43 174.69 3gqe n LYS 75 N -4.21 1.63 -4.22 0.81 4.76 -0.77 -5.04 118.16 111.12 3gqe n LYS 75 Ca -0.02 -0.04 -0.34 0.00 -2.87 0.00 0.00 58.31 55.04 3gqe n LYS 75 Cb 0.21 -1.22 -0.08 0.00 -1.84 0.00 0.00 35.03 32.10 3gqe n LYS 75 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3gqe s VAL 76 N -2.39 4.50 1.00 -0.18 1.01 -0.64 -5.09 120.40 118.61 3gqe s VAL 76 Ca -0.04 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 3gqe s VAL 76 Cb 0.04 -2.99 0.19 0.00 0.00 0.00 0.00 36.38 33.62 3gqe s VAL 76 CO 0.36 0.45 1.10 -0.94 0.00 0.00 0.00 175.10 176.07 3gqe s SER 77 N -1.39 2.29 0.11 3.32 1.04 -1.26 -4.63 113.70 113.17 3gqe s SER 77 Ca 0.19 1.88 -0.19 0.00 0.48 0.00 0.00 55.95 58.31 3gqe s SER 77 Cb -0.12 -2.44 -0.07 0.00 0.10 0.00 0.00 66.02 63.49 3gqe s SER 77 CO 0.09 -3.45 1.68 -0.33 0.98 0.00 0.00 173.24 172.22 3gqe h GLU 78 N -2.10 0.34 -0.29 4.02 4.39 -1.98 0.02 114.58 118.97 3gqe h GLU 78 Ca -0.50 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.10 3gqe h GLU 78 Cb 1.29 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 3gqe h GLU 78 CO 0.46 0.34 -0.00 0.28 -1.16 0.00 0.00 179.01 178.93 3gqe h VAL 79 N 0.26 1.26 -0.03 3.13 2.07 -2.00 -0.53 116.25 120.40 3gqe h VAL 79 Ca 0.08 -0.94 -0.15 0.00 0.82 0.00 0.00 66.70 66.51 3gqe h VAL 79 Cb 0.11 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3gqe h VAL 79 CO -0.01 0.30 -0.65 -0.33 0.02 0.00 0.00 177.57 176.90 3gqe h GLU 80 N 0.31 0.13 -0.72 1.57 4.39 -1.94 -3.04 114.58 115.28 3gqe h GLU 80 Ca 0.08 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 3gqe h GLU 80 Cb 0.44 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 3gqe h GLU 80 CO 0.02 0.73 0.23 0.78 -1.16 0.00 0.00 179.01 179.61 3gqe h GLY 81 N 1.70 1.20 1.00 -3.84 0.00 -0.85 -2.44 103.07 99.85 3gqe h GLY 81 Ca -0.01 -0.71 -0.04 0.00 0.00 0.00 0.00 47.33 46.58 3gqe h GLY 81 CO 0.09 0.66 0.26 -1.80 0.00 0.00 0.00 176.54 175.75 3gqe h ASP 82 N 1.07 0.87 -0.35 0.19 3.58 -1.04 -0.55 116.42 120.18 3gqe h ASP 82 Ca 0.23 -0.17 -0.10 0.00 0.42 0.00 0.00 57.03 57.41 3gqe h ASP 82 Cb 0.29 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 3gqe h ASP 82 CO -0.01 0.80 -0.15 0.11 -2.88 0.00 0.00 179.24 177.11 3gqe h LYS 83 N 0.88 0.81 0.00 0.28 1.57 -1.47 -2.82 116.57 115.83 3gqe h LYS 83 Ca 0.21 -0.30 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 3gqe h LYS 83 Cb 0.20 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3gqe h LYS 83 CO -0.02 0.91 -0.56 1.96 -0.57 0.00 0.00 179.45 181.18 3gqe h GLN 84 N 0.73 0.00 -0.19 3.15 4.20 -1.17 -1.68 115.11 120.15 3gqe h GLN 84 Ca 0.11 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 3gqe h GLN 84 Cb 0.65 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 3gqe h GLN 84 CO 0.05 0.56 -0.07 1.25 -0.67 0.00 0.00 178.83 179.95 3gqe h LEU 85 N 0.00 0.38 -0.60 1.46 5.85 -1.07 -1.84 115.31 119.49 3gqe h LEU 85 Ca -0.01 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.37 3gqe h LEU 85 Cb 1.23 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 3gqe h LEU 85 CO 0.07 0.69 0.33 0.00 -0.34 0.00 0.00 178.44 179.20 3gqe h ALA 86 N 0.71 0.78 -0.37 1.25 0.00 -1.49 -2.96 119.26 117.18 3gqe h ALA 86 Ca 0.04 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3gqe h ALA 86 Cb 0.54 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3gqe h ALA 86 CO 0.02 0.02 0.15 1.49 0.00 0.00 0.00 179.25 180.93 3gqe h GLU 87 N 0.63 0.31 -0.82 0.00 4.81 -1.26 -1.04 114.58 117.21 3gqe h GLU 87 Ca 0.26 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 3gqe h GLU 87 Cb 0.13 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 3gqe h GLU 87 CO -0.15 0.21 0.43 0.00 -0.73 0.00 0.00 179.01 178.76 3gqe h ALA 88 N 1.22 1.20 -0.43 2.92 0.00 -1.23 0.83 119.26 123.77 3gqe h ALA 88 Ca 0.16 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 3gqe h ALA 88 Cb 0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3gqe h ALA 88 CO -0.15 0.63 -0.28 1.88 0.00 0.00 0.00 179.25 181.33 3gqe h TYR 89 N 1.16 1.08 -0.84 0.00 0.05 -1.36 -2.28 116.97 114.78 3gqe h TYR 89 Ca 0.29 -0.28 0.01 0.00 0.05 0.00 0.00 58.73 58.79 3gqe h TYR 89 Cb 0.06 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.52 3gqe h TYR 89 CO 0.01 1.09 0.54 1.49 -1.05 0.00 0.00 178.16 180.24 3gqe h GLU 90 N 0.78 1.11 -0.01 4.88 4.57 -0.61 -1.75 114.58 123.55 3gqe h GLU 90 Ca 0.09 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 3gqe h GLU 90 Cb 0.85 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 3gqe h GLU 90 CO 0.08 0.75 -0.19 0.77 -1.18 0.00 0.00 179.01 179.24 3gqe h SER 91 N 1.14 0.02 0.04 1.04 0.02 -0.68 -1.82 113.55 113.30 3gqe h SER 91 Ca 0.31 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.25 3gqe h SER 91 Cb -0.11 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.42 3gqe h SER 91 CO -0.06 0.20 -0.02 0.40 -1.14 0.00 0.00 176.83 176.21 3gqe h ILE 92 N 0.02 1.26 -0.57 3.27 2.04 -0.80 -3.08 117.51 119.65 3gqe h ILE 92 Ca 0.00 -1.01 0.04 0.00 1.00 0.00 0.00 64.86 64.89 3gqe h ILE 92 Cb 0.34 1.93 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 3gqe h ILE 92 CO 0.02 0.25 0.32 0.00 0.00 0.00 0.00 178.15 178.75 3gqe h ALA 93 N 0.43 0.75 -0.39 1.87 0.00 -1.23 -1.39 119.26 119.30 3gqe h ALA 93 Ca -0.01 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3gqe h ALA 93 Cb 0.46 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 3gqe h ALA 93 CO 0.01 0.01 -0.00 -0.22 0.00 0.00 0.00 179.25 179.05 3gqe h LYS 94 N 0.62 0.10 -0.25 0.00 3.64 -1.42 0.36 116.57 119.61 3gqe h LYS 94 Ca 0.25 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.55 3gqe h LYS 94 Cb 0.10 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3gqe h LYS 94 CO -0.14 0.06 -0.16 0.82 -2.27 0.00 0.00 179.45 177.76 3gqe h ILE 95 N 0.10 1.23 0.35 2.00 2.04 -1.32 -0.98 117.51 120.92 3gqe h ILE 95 Ca 0.19 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 3gqe h ILE 95 Cb 0.27 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3gqe h ILE 95 CO -0.33 0.34 -0.17 0.58 0.00 0.00 0.00 178.15 178.58 3gqe h VAL 96 N 0.40 0.40 -0.95 1.67 2.07 -0.38 -2.92 116.25 116.55 3gqe h VAL 96 Ca 0.07 -0.73 0.14 0.00 0.82 0.00 0.00 66.70 67.01 3gqe h VAL 96 Cb 0.53 0.64 -0.08 0.00 -1.52 0.00 0.00 31.29 30.86 3gqe h VAL 96 CO 0.03 0.09 0.60 0.78 0.02 0.00 0.00 177.57 179.10 3gqe h ASN 97 N -0.99 0.76 0.07 0.57 2.35 -0.27 -1.65 115.58 116.42 3gqe h ASN 97 Ca -0.05 0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.61 3gqe h ASN 97 Cb 0.51 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3gqe h ASN 97 CO 0.08 0.37 -0.51 0.44 -1.65 0.00 0.00 177.43 176.16 3gqe h ASP 98 N 0.80 0.54 -0.06 5.81 5.19 -1.18 -3.07 116.42 124.44 3gqe h ASP 98 Ca 0.48 -0.27 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 3gqe h ASP 98 Cb 0.68 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.04 3gqe h ASP 98 CO -0.25 0.95 0.00 0.59 -3.12 0.00 0.00 179.24 177.42 3gqe n ASN 99 N -3.97 2.35 -3.97 6.45 3.02 -1.10 -4.98 115.26 113.05 3gqe n ASN 99 Ca -0.03 -1.78 -0.31 0.00 -0.03 0.00 0.00 54.58 52.44 3gqe n ASN 99 Cb 0.57 -0.03 0.01 0.00 -0.61 0.00 0.00 39.78 39.73 3gqe n ASN 99 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3gqe n ASN 100 N 0.82 -3.77 -4.75 6.41 3.02 -0.65 -4.93 115.26 111.41 3gqe n ASN 100 Ca 0.17 -0.86 -0.41 0.00 -0.03 0.00 0.00 54.58 53.45 3gqe n ASN 100 Cb 0.48 -3.56 -0.02 0.00 -0.61 0.00 0.00 39.78 36.07 3gqe n ASN 100 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3gqe s TYR 101 N -3.38 3.04 -0.09 3.10 2.02 -1.03 -4.95 117.35 116.05 3gqe s TYR 101 Ca 0.57 1.06 -0.08 0.00 -0.37 0.00 0.00 57.07 58.25 3gqe s TYR 101 Cb -0.29 -3.80 -0.28 0.00 -0.40 0.00 0.00 41.96 37.19 3gqe s TYR 101 CO 0.86 -2.57 0.51 1.57 -1.57 0.00 0.00 175.55 174.35 3gqe h LYS 102 N 4.99 0.32 -4.78 -0.62 2.10 -1.92 -3.42 116.57 113.23 3gqe h LYS 102 Ca -0.46 -0.54 -0.47 0.00 -2.00 0.00 0.00 60.65 57.18 3gqe h LYS 102 Cb 1.22 0.20 -0.31 0.00 -0.90 0.00 0.00 32.23 32.44 3gqe h LYS 102 CO 0.77 1.25 -0.80 -1.54 -2.00 0.00 0.00 179.45 177.13 3gqe s SER 103 N -7.13 1.51 -0.01 7.07 1.04 -1.26 0.01 113.70 114.93 3gqe s SER 103 Ca -0.19 -0.24 -0.00 0.00 0.48 0.00 0.00 55.95 56.00 3gqe s SER 103 Cb 0.06 -0.43 0.01 0.00 0.10 0.00 0.00 66.02 65.76 3gqe s SER 103 CO 0.81 0.09 0.02 0.54 0.98 0.00 0.00 173.24 175.67 3gqe s VAL 104 N 0.19 -0.01 -0.18 5.02 0.11 -0.27 -3.13 120.40 122.13 3gqe s VAL 104 Ca -0.04 0.05 -0.04 0.00 -2.93 0.00 0.00 61.98 59.02 3gqe s VAL 104 Cb -0.10 -0.04 -0.02 0.00 -1.53 0.00 0.00 36.38 34.69 3gqe s VAL 104 CO 0.01 0.02 -0.03 0.00 -3.33 0.00 0.00 175.10 171.77 3gqe s ALA 105 N 0.24 2.95 -0.05 1.54 0.00 0.34 -0.74 121.76 126.04 3gqe s ALA 105 Ca -0.02 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3gqe s ALA 105 Cb -0.03 -1.65 0.02 0.00 0.00 0.00 0.00 23.12 21.46 3gqe s ALA 105 CO -0.01 -0.05 -0.06 0.42 0.00 0.00 0.00 175.76 176.07 3gqe s ILE 106 N 0.82 0.68 0.64 0.00 1.01 -0.73 -1.11 121.20 122.51 3gqe s ILE 106 Ca -0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 3gqe s ILE 106 Cb -0.14 -0.69 0.04 0.00 0.01 0.00 0.00 42.46 41.68 3gqe s ILE 106 CO 0.02 0.26 0.94 -2.16 0.00 0.00 0.00 174.94 174.00 3gqe s PRO 107 N 0.92 2.52 -0.41 2.79 0.04 -1.26 -1.05 135.00 138.55 3gqe s PRO 107 Ca -0.11 -0.22 -0.25 0.00 0.04 0.00 0.00 61.00 60.46 3gqe s PRO 107 Cb -0.15 -2.25 0.02 0.00 0.04 0.00 0.00 34.50 32.16 3gqe s PRO 107 CO 0.00 -0.96 0.88 -0.51 0.04 0.00 0.00 177.00 176.45 3gqe s LEU 108 N -5.08 4.06 0.51 -3.56 1.43 -1.25 -4.88 118.68 109.90 3gqe s LEU 108 Ca 0.57 0.28 -0.22 0.00 -1.03 0.00 0.00 54.13 53.73 3gqe s LEU 108 Cb -0.11 -3.15 -0.06 0.00 0.03 0.00 0.00 46.19 42.90 3gqe s LEU 108 CO 0.44 -0.91 1.20 -0.76 0.23 0.00 0.00 176.35 176.55 3gqe s LEU 109 N 3.48 3.90 -1.04 1.79 1.43 -1.26 -3.76 118.68 123.22 3gqe s LEU 109 Ca 0.35 2.38 -0.04 0.00 -1.03 0.00 0.00 54.13 55.79 3gqe s LEU 109 Cb -0.11 -4.35 0.00 0.00 0.03 0.00 0.00 46.19 41.76 3gqe s LEU 109 CO 0.22 -1.17 0.51 -1.20 0.23 0.00 0.00 176.35 174.93 3gqe n SER 110 N -0.86 -4.78 0.00 2.29 7.64 -1.26 -4.80 113.62 111.85 3gqe n SER 110 Ca 0.09 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.74 3gqe n SER 110 Cb 0.48 -3.58 0.00 0.00 -1.01 0.00 0.00 64.21 60.10 3gqe n SER 110 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3gqe n THR 111 N -4.14 0.00 0.00 0.44 5.66 -1.25 -3.81 114.28 111.18 3gqe n THR 111 Ca -0.06 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 60.50 3gqe n THR 111 Cb 0.57 0.98 0.00 0.00 -1.55 0.00 0.00 70.33 70.33 3gqe n THR 111 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3gqe n GLY 112 N 0.96 0.55 0.00 1.09 0.00 -1.26 -4.66 105.19 101.87 3gqe n GLY 112 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3gqe n GLY 112 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3gqe n ILE 113 N 0.00 0.15 1.29 -0.61 -0.00 -1.26 -2.17 119.36 116.75 3gqe n ILE 113 Ca 0.00 0.04 0.13 0.00 -0.00 0.00 0.00 62.75 62.92 3gqe n ILE 113 Cb 0.00 -0.68 0.40 0.00 -0.00 0.00 0.00 39.64 39.36 3gqe n ILE 113 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 176.55 177.04 3gqe n PHE 114 N -1.13 0.07 0.73 4.28 3.01 -1.26 -4.46 117.46 118.70 3gqe n PHE 114 Ca 0.14 -0.03 0.12 0.00 1.01 0.00 0.00 57.45 58.69 3gqe n PHE 114 Cb 0.12 0.00 0.27 0.00 -0.01 0.00 0.00 39.48 39.86 3gqe n PHE 114 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3gqe n SER 115 N 0.50 0.59 -2.47 4.37 3.41 -0.92 -0.20 113.62 118.90 3gqe n SER 115 Ca 0.18 0.13 -0.14 0.00 -0.26 0.00 0.00 58.87 58.78 3gqe n SER 115 Cb 0.41 -0.02 0.05 0.00 -0.26 0.00 0.00 64.21 64.40 3gqe n SER 115 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gqe n GLY 116 N 1.39 -0.01 3.80 5.00 0.00 -1.26 -3.39 105.19 110.73 3gqe n GLY 116 Ca 0.05 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 3gqe n GLY 116 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gqe n ASN 117 N -1.59 -0.92 -3.84 1.61 4.13 -1.26 -4.88 115.26 108.52 3gqe n ASN 117 Ca -0.04 -0.89 -0.12 0.00 1.68 0.00 0.00 54.58 55.21 3gqe n ASN 117 Cb 0.56 -3.68 -0.13 0.00 -1.54 0.00 0.00 39.78 34.98 3gqe n ASN 117 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3gqe s LYS 118 N -6.20 0.09 -0.38 3.52 2.20 -1.22 -5.11 119.74 112.64 3gqe s LYS 118 Ca 0.02 0.12 -0.28 0.00 -0.36 0.00 0.00 55.97 55.47 3gqe s LYS 118 Cb -0.01 0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 36.32 3gqe s LYS 118 CO 0.84 -0.02 1.84 0.34 -0.36 0.00 0.00 175.35 177.99 3gqe s ASP 119 N 0.10 5.72 -0.23 1.43 -1.08 -1.26 -4.84 116.67 116.51 3gqe s ASP 119 Ca -0.00 1.15 0.11 0.00 -0.52 0.00 0.00 52.55 53.29 3gqe s ASP 119 Cb -0.01 -2.53 0.45 0.00 -1.46 0.00 0.00 42.92 39.37 3gqe s ASP 119 CO -0.00 -1.87 1.32 0.54 0.52 0.00 0.00 175.17 175.67 3gqe n ARG 120 N 8.58 1.73 0.27 4.34 1.74 -1.26 -4.80 116.66 127.27 3gqe n ARG 120 Ca 0.23 -3.15 -0.16 0.00 -0.77 0.00 0.00 57.85 54.00 3gqe n ARG 120 Cb 0.48 -1.70 -0.08 0.00 -1.02 0.00 0.00 32.46 30.14 3gqe n ARG 120 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3gqe h LEU 121 N 0.93 -0.54 0.16 0.55 6.46 -1.96 -0.83 115.31 120.09 3gqe h LEU 121 Ca 0.08 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 3gqe h LEU 121 Cb 1.28 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 41.35 3gqe h LEU 121 CO 0.16 -0.37 -0.08 0.74 -0.62 0.00 0.00 178.44 178.27 3gqe h THR 122 N -0.67 0.84 -0.29 1.05 2.02 -1.99 -0.01 112.91 113.85 3gqe h THR 122 Ca -0.07 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.17 3gqe h THR 122 Cb 0.51 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 3gqe h THR 122 CO 0.11 0.00 -0.06 -0.61 0.37 0.00 0.00 175.52 175.33 3gqe h GLN 123 N -0.22 0.01 -0.31 6.66 4.15 -1.91 -0.09 115.11 123.40 3gqe h GLN 123 Ca -0.02 -0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.30 3gqe h GLN 123 Cb 0.17 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 3gqe h GLN 123 CO 0.04 0.01 -0.20 1.03 -1.93 0.00 0.00 178.83 177.77 3gqe h SER 124 N 0.01 0.71 -0.32 -0.69 0.87 -1.02 -3.05 113.55 110.07 3gqe h SER 124 Ca 0.14 -0.43 0.02 0.00 -1.23 0.00 0.00 61.79 60.28 3gqe h SER 124 Cb 0.21 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 3gqe h SER 124 CO -0.29 0.99 0.17 0.25 -0.53 0.00 0.00 176.83 177.42 3gqe h LEU 125 N 0.43 0.26 -0.91 2.23 5.85 -0.78 -1.80 115.31 120.59 3gqe h LEU 125 Ca 0.06 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3gqe h LEU 125 Cb 0.75 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 3gqe h LEU 125 CO 0.06 0.19 0.59 0.78 -0.34 0.00 0.00 178.44 179.72 3gqe h ASN 126 N 0.34 1.00 0.73 1.25 4.21 -1.02 0.14 115.58 122.23 3gqe h ASN 126 Ca 0.13 -0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.55 3gqe h ASN 126 Cb 0.03 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 36.98 3gqe h ASN 126 CO -0.08 0.70 -0.37 0.45 -1.29 0.00 0.00 177.43 176.84 3gqe h HIS 127 N 1.17 0.00 0.11 1.19 3.86 -1.45 -2.26 115.15 117.76 3gqe h HIS 127 Ca 0.35 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.56 3gqe h HIS 127 Cb -0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.43 3gqe h HIS 127 CO -0.01 0.37 -0.05 1.25 0.86 0.00 0.00 177.93 180.35 3gqe h LEU 128 N 0.00 -0.12 -0.17 2.43 7.12 -0.27 -2.86 115.31 121.45 3gqe h LEU 128 Ca -0.00 -0.37 0.02 0.00 0.13 0.00 0.00 57.88 57.65 3gqe h LEU 128 Cb 0.84 0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.98 3gqe h LEU 128 CO 0.05 0.34 0.04 -0.07 -0.13 0.00 0.00 178.44 178.66 3gqe h LEU 129 N -0.61 0.02 -0.50 2.25 4.07 -0.71 -2.28 115.31 117.54 3gqe h LEU 129 Ca -0.01 0.02 0.05 0.00 0.08 0.00 0.00 57.88 58.02 3gqe h LEU 129 Cb 0.49 0.03 -0.05 0.00 1.08 0.00 0.00 40.66 42.21 3gqe h LEU 129 CO 0.02 0.04 0.23 0.74 -1.08 0.00 0.00 178.44 178.39 3gqe h THR 130 N 0.11 0.91 -0.02 0.22 2.02 -1.44 -1.36 112.91 113.35 3gqe h THR 130 Ca 0.07 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 3gqe h THR 130 Cb 0.06 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3gqe h THR 130 CO -0.09 0.08 0.00 0.00 0.37 0.00 0.00 175.52 175.88 3gqe h ALA 131 N 1.29 0.02 0.00 6.16 0.00 -1.41 -3.29 119.26 122.03 3gqe h ALA 131 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gqe h ALA 131 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3gqe h ALA 131 CO -0.19 -0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.01 3gqe n LEU 132 N -4.93 0.78 0.20 0.00 7.99 -0.87 -2.16 117.00 118.00 3gqe n LEU 132 Ca -0.08 0.64 0.14 0.00 -0.01 0.00 0.00 56.01 56.70 3gqe n LEU 132 Cb 0.16 -0.46 0.65 0.00 -0.11 0.00 0.00 43.42 43.66 3gqe n LEU 132 CO 0.34 -0.41 0.93 0.44 -1.51 0.00 0.00 177.39 177.17 3gqe h ASP 133 N 0.00 0.00 -0.08 -1.43 3.32 -1.33 0.18 116.42 117.08 3gqe h ASP 133 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gqe h ASP 133 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3gqe h ASP 133 CO 0.00 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.87 3gqe n THR 134 N -2.57 0.10 -4.31 0.35 -2.24 -0.92 -4.79 114.28 99.90 3gqe n THR 134 Ca 0.00 -0.26 -0.26 0.00 -2.27 0.00 0.00 64.05 61.26 3gqe n THR 134 Cb 0.20 0.30 -0.08 0.00 -2.10 0.00 0.00 70.33 68.65 3gqe n THR 134 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3gqe s THR 135 N -1.90 2.07 -0.17 4.28 -4.23 0.05 -4.91 115.64 110.83 3gqe s THR 135 Ca 0.35 -1.79 0.15 0.00 -1.18 0.00 0.00 61.69 59.22 3gqe s THR 135 Cb 0.19 -2.87 0.43 0.00 1.34 0.00 0.00 72.50 71.60 3gqe s THR 135 CO 0.29 0.00 1.20 -0.90 -0.54 0.00 0.00 174.62 174.67 3gqe n ASP 136 N -1.20 1.97 -4.82 3.99 3.85 -1.26 -3.63 116.55 115.45 3gqe n ASP 136 Ca -0.04 -3.26 -0.31 0.00 -0.71 0.00 0.00 54.79 50.47 3gqe n ASP 136 Cb 0.65 -0.44 0.06 0.00 -1.35 0.00 0.00 41.12 40.05 3gqe n ASP 136 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3gqe s ALA 137 N -2.49 2.55 -0.33 2.12 0.00 -1.26 -4.43 121.76 117.92 3gqe s ALA 137 Ca 0.38 -0.02 -0.20 0.00 0.00 0.00 0.00 51.96 52.13 3gqe s ALA 137 Cb 0.38 -3.15 -0.00 0.00 0.00 0.00 0.00 23.12 20.34 3gqe s ALA 137 CO -0.08 -1.38 0.62 -0.51 0.00 0.00 0.00 175.76 174.41 3gqe s ASP 138 N -3.84 6.45 -0.23 0.00 1.01 0.10 -1.00 116.67 119.16 3gqe s ASP 138 Ca 0.59 0.28 -0.06 0.00 0.71 0.00 0.00 52.55 54.07 3gqe s ASP 138 Cb -0.14 -2.32 -0.02 0.00 1.01 0.00 0.00 42.92 41.44 3gqe s ASP 138 CO 0.55 -0.52 0.03 -0.69 0.21 0.00 0.00 175.17 174.75 3gqe s VAL 139 N 2.62 4.04 -0.32 -1.27 1.01 0.13 -1.11 120.40 125.49 3gqe s VAL 139 Ca 0.24 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 61.79 3gqe s VAL 139 Cb -0.15 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 3gqe s VAL 139 CO 0.13 0.39 0.41 0.00 0.00 0.00 0.00 175.10 176.02 3gqe s ALA 140 N 1.36 3.51 -0.40 5.51 0.00 0.08 -1.40 121.76 130.42 3gqe s ALA 140 Ca 0.05 -1.02 -0.23 0.00 0.00 0.00 0.00 51.96 50.75 3gqe s ALA 140 Cb -0.15 -2.83 0.02 0.00 0.00 0.00 0.00 23.12 20.15 3gqe s ALA 140 CO 0.02 -0.97 0.77 0.42 0.00 0.00 0.00 175.76 176.00 3gqe s ILE 141 N 2.13 4.71 0.14 0.00 1.01 0.87 -1.78 121.20 128.28 3gqe s ILE 141 Ca 0.15 0.66 -0.19 0.00 0.00 0.00 0.00 60.65 61.26 3gqe s ILE 141 Cb -0.16 -4.25 -0.07 0.00 0.01 0.00 0.00 42.46 37.99 3gqe s ILE 141 CO 0.11 -0.55 0.63 -0.31 0.00 0.00 0.00 174.94 174.83 3gqe s TYR 142 N 3.15 3.74 0.27 3.97 1.51 -0.21 -0.81 117.35 128.97 3gqe s TYR 142 Ca 0.30 1.31 -0.02 0.00 -1.01 0.00 0.00 57.07 57.66 3gqe s TYR 142 Cb -0.13 -2.54 -0.02 0.00 -0.11 0.00 0.00 41.96 39.16 3gqe s TYR 142 CO 0.19 0.48 0.31 0.00 -1.11 0.00 0.00 175.55 175.43 3gqe n ARG 144 N -0.44 2.05 -3.71 0.00 0.00 -1.26 -2.18 116.66 111.12 3gqe n ARG 144 Ca 0.02 0.01 -0.29 0.00 -0.00 0.00 0.00 57.85 57.59 3gqe n ARG 144 Cb 0.63 -1.11 -0.04 0.00 0.00 0.00 0.00 32.46 31.94 3gqe n ARG 144 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3gqe s ASP 145 N -3.94 6.42 0.01 6.15 3.68 -1.26 -4.79 116.67 122.93 3gqe s ASP 145 Ca -0.04 0.45 -0.23 0.00 2.13 0.00 0.00 52.55 54.85 3gqe s ASP 145 Cb 0.02 -2.03 -0.17 0.00 -1.45 0.00 0.00 42.92 39.28 3gqe s ASP 145 CO 0.16 0.01 1.32 0.50 0.13 0.00 0.00 175.17 177.30 3gqe h LYS 146 N 2.42 0.15 -0.48 4.34 3.11 -1.99 -1.00 116.57 123.12 3gqe h LYS 146 Ca -0.47 -0.08 0.03 0.00 -2.81 0.00 0.00 60.65 57.32 3gqe h LYS 146 Cb 1.18 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.37 3gqe h LYS 146 CO 0.71 0.57 0.27 -0.22 -2.81 0.00 0.00 179.45 177.97 3gqe h LYS 147 N -0.27 0.52 -0.59 1.90 1.63 -2.00 -2.07 116.57 115.70 3gqe h LYS 147 Ca 0.01 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 3gqe h LYS 147 Cb 0.54 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 32.02 3gqe h LYS 147 CO 0.01 0.34 0.34 -1.49 -3.45 0.00 0.00 179.45 175.21 3gqe h TRP 148 N 0.53 0.78 -0.36 1.91 4.06 -1.97 -2.02 115.95 118.88 3gqe h TRP 148 Ca 0.20 -0.01 0.07 0.00 2.06 0.00 0.00 58.89 61.21 3gqe h TRP 148 Cb 0.05 -0.25 -0.07 0.00 -1.00 0.00 0.00 29.16 27.89 3gqe h TRP 148 CO -0.08 0.55 -0.08 1.49 -3.56 0.00 0.00 178.44 176.75 3gqe h GLU 149 N 0.79 0.01 -0.01 0.49 4.81 -0.76 0.56 114.58 120.47 3gqe h GLU 149 Ca 0.21 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3gqe h GLU 149 Cb 0.00 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3gqe h GLU 149 CO -0.04 0.01 -0.07 0.52 -0.73 0.00 0.00 179.01 178.70 3gqe h MET 150 N 0.01 -0.11 -0.77 1.92 0.00 -1.16 -1.41 114.93 113.42 3gqe h MET 150 Ca 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 59.70 59.86 3gqe h MET 150 Cb 0.26 0.02 -0.04 0.00 0.00 0.00 0.00 31.60 31.85 3gqe h MET 150 CO -0.37 -0.07 0.41 1.15 0.00 0.00 0.00 176.91 178.03 3gqe h THR 151 N -0.11 1.24 -0.10 2.22 2.02 -1.01 -2.30 112.91 114.86 3gqe h THR 151 Ca 0.03 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 3gqe h THR 151 Cb 0.15 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3gqe h THR 151 CO -0.07 0.27 0.02 -0.07 0.37 0.00 0.00 175.52 176.03 3gqe h LEU 152 N 1.07 0.16 -0.49 2.58 3.38 -0.73 -2.51 115.31 118.77 3gqe h LEU 152 Ca 0.27 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 58.06 3gqe h LEU 152 Cb 0.06 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 3gqe h LEU 152 CO -0.04 0.38 0.12 0.11 0.09 0.00 0.00 178.44 179.10 3gqe h LYS 153 N -0.07 0.25 0.00 1.13 1.57 -1.01 -0.63 116.57 117.82 3gqe h LYS 153 Ca 0.03 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 3gqe h LYS 153 Cb 0.29 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3gqe h LYS 153 CO 0.00 0.17 -0.44 1.49 -0.57 0.00 0.00 179.45 180.09 3gqe h GLU 154 N 0.26 0.00 0.00 3.15 4.81 -1.43 -1.74 114.58 119.63 3gqe h GLU 154 Ca 0.25 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.37 3gqe h GLU 154 Cb 0.32 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3gqe h GLU 154 CO -0.31 0.44 -0.53 0.00 -0.73 0.00 0.00 179.01 177.89 3gqe h ALA 155 N 1.56 0.67 0.05 2.92 0.00 -0.89 -3.21 119.26 120.35 3gqe h ALA 155 Ca -0.00 -0.47 -0.24 0.00 0.00 0.00 0.00 54.91 54.19 3gqe h ALA 155 Cb 0.80 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3gqe h ALA 155 CO 0.06 0.65 -1.14 0.28 0.00 0.00 0.00 179.25 179.09 3gqe h VAL 156 N 0.00 1.58 -0.69 0.00 2.07 -0.82 -3.32 116.25 115.07 3gqe h VAL 156 Ca -0.01 -3.25 -0.05 0.00 0.82 0.00 0.00 66.70 64.21 3gqe h VAL 156 Cb 1.40 2.86 -0.03 0.00 -1.52 0.00 0.00 31.29 34.00 3gqe h VAL 156 CO 0.07 0.92 0.22 0.00 0.02 0.00 0.00 177.57 178.80 3gqe h ALA 157 N 0.83 0.90 0.00 1.67 0.00 -1.39 -3.50 119.26 117.77 3gqe h ALA 157 Ca -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3gqe h ALA 157 Cb 1.86 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3gqe h ALA 157 CO 0.15 0.58 0.00 -2.13 0.00 0.00 0.00 179.25 177.85