#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqo s ALA 1 N 0.00 2.83 0.20 3.14 0.00 -1.26 -4.46 121.76 122.21 3gqo s ALA 1 Ca 0.00 -2.11 0.08 0.00 0.00 0.00 0.00 51.96 49.93 3gqo s ALA 1 Cb 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 3gqo s ALA 1 CO 0.00 -0.04 -0.02 -1.25 0.00 0.00 0.00 175.76 174.45 3gqo s PRO 2 N -3.69 2.31 0.07 0.00 0.04 -1.24 -4.52 135.00 127.97 3gqo s PRO 2 Ca 0.33 -1.23 0.01 0.00 0.04 0.00 0.00 61.00 60.15 3gqo s PRO 2 Cb 0.05 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 3gqo s PRO 2 CO 0.16 0.42 0.18 -1.12 0.04 0.00 0.00 177.00 176.68 3gqo s SER 3 N -3.14 6.11 -0.04 6.66 0.01 -0.77 -4.97 113.70 117.55 3gqo s SER 3 Ca 0.28 0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.73 3gqo s SER 3 Cb -0.08 -1.81 0.01 0.00 0.21 0.00 0.00 66.02 64.35 3gqo s SER 3 CO 0.18 0.16 -0.08 -0.31 0.41 0.00 0.00 173.24 173.61 3gqo s TYR 4 N -1.50 0.95 0.00 2.43 1.51 -1.26 -0.45 117.35 119.03 3gqo s TYR 4 Ca 0.33 -0.28 -0.02 0.00 -1.01 0.00 0.00 57.07 56.09 3gqo s TYR 4 Cb -0.13 -0.74 -0.01 0.00 -0.11 0.00 0.00 41.96 40.97 3gqo s TYR 4 CO 0.26 -0.18 0.03 -3.38 -1.11 0.00 0.00 175.55 171.18 3gqo s HIS 5 N 0.61 0.11 -0.10 2.71 -3.43 -0.48 -4.99 115.29 109.72 3gqo s HIS 5 Ca -0.10 -0.24 -0.10 0.00 -0.80 0.00 0.00 55.06 53.83 3gqo s HIS 5 Cb -0.13 -0.09 -0.05 0.00 -1.43 0.00 0.00 32.58 30.88 3gqo s HIS 5 CO 0.01 -0.16 0.22 0.08 -2.00 0.00 0.00 174.74 172.89 3gqo s VAL 6 N -0.99 5.36 -0.07 -5.38 1.01 -1.26 -0.11 120.40 118.95 3gqo s VAL 6 Ca -0.11 0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.29 3gqo s VAL 6 Cb -0.07 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.82 3gqo s VAL 6 CO -0.00 0.56 -0.10 -0.69 0.00 0.00 0.00 175.10 174.87 3gqo s VAL 7 N -0.69 1.01 -0.24 2.92 1.01 0.84 -4.86 120.40 120.38 3gqo s VAL 7 Ca 0.17 -0.38 -0.15 0.00 0.00 0.00 0.00 61.98 61.61 3gqo s VAL 7 Cb -0.13 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 3gqo s VAL 7 CO 0.06 0.33 0.38 -0.60 0.00 0.00 0.00 175.10 175.27 3gqo s ARG 8 N 0.89 4.08 0.00 2.72 3.00 -1.26 -1.91 118.95 126.46 3gqo s ARG 8 Ca -0.11 0.10 0.00 0.00 -1.00 0.00 0.00 55.73 54.72 3gqo s ARG 8 Cb -0.15 -3.61 0.00 0.00 0.00 0.00 0.00 34.95 31.19 3gqo s ARG 8 CO 0.01 -0.18 0.00 0.41 0.00 0.00 0.00 175.30 175.54 3gqo n GLY 9 N 4.37 0.28 3.63 8.12 0.00 -0.18 -4.96 105.19 116.45 3gqo n GLY 9 Ca -0.08 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.81 3gqo n GLY 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gqo s ASP 10 N 0.00 6.47 0.64 1.61 2.15 -1.26 -4.41 116.67 121.86 3gqo s ASP 10 Ca 0.00 1.35 0.35 0.00 0.43 0.00 0.00 52.55 54.68 3gqo s ASP 10 Cb 0.00 -2.54 1.91 0.00 -0.30 0.00 0.00 42.92 41.99 3gqo s ASP 10 CO 0.00 -1.23 2.13 -0.29 -0.17 0.00 0.00 175.17 175.61 3gqo h ILE 11 N 6.14 0.16 0.00 4.11 2.10 -1.96 -0.05 117.51 128.01 3gqo h ILE 11 Ca -0.30 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.64 3gqo h ILE 11 Cb 1.13 0.83 0.00 0.00 -1.09 0.00 0.00 36.82 37.69 3gqo h ILE 11 CO 1.02 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 178.09 3gqo n ALA 12 N -2.10 1.79 0.58 0.18 0.00 -1.26 -2.02 120.51 117.67 3gqo n ALA 12 Ca -0.01 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.50 3gqo n ALA 12 Cb 0.26 -1.32 0.10 0.00 0.00 0.00 0.00 19.45 18.50 3gqo n ALA 12 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gqo n THR 13 N -1.73 0.17 -1.57 0.00 -2.24 -0.03 -5.00 114.28 103.88 3gqo n THR 13 Ca 0.04 -0.58 -0.44 0.00 -2.27 0.00 0.00 64.05 60.79 3gqo n THR 13 Cb 0.22 1.23 -0.01 0.00 -2.10 0.00 0.00 70.33 69.67 3gqo n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gqo n ALA 14 N 1.03 -0.48 0.10 6.98 0.00 -0.86 -4.93 120.51 122.36 3gqo n ALA 14 Ca 0.12 0.36 0.05 0.00 0.00 0.00 0.00 53.44 53.97 3gqo n ALA 14 Cb 0.46 -1.98 -0.00 0.00 0.00 0.00 0.00 19.45 17.93 3gqo n ALA 14 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3gqo h THR 15 N 1.78 0.40 -1.71 0.00 1.35 -1.95 -3.47 112.91 109.32 3gqo h THR 15 Ca -0.39 -1.68 -0.65 0.00 -0.55 0.00 0.00 66.41 63.14 3gqo h THR 15 Cb 1.35 1.99 0.10 0.00 -1.73 0.00 0.00 68.15 69.87 3gqo h THR 15 CO 0.59 0.23 -0.11 -0.62 -0.25 0.00 0.00 175.52 175.36 3gqo n GLU 16 N -2.95 0.70 0.14 4.72 4.71 -1.26 -4.86 120.64 121.85 3gqo n GLU 16 Ca -0.03 0.25 0.13 0.00 -0.01 0.00 0.00 57.16 57.50 3gqo n GLU 16 Cb 0.70 -1.50 0.46 0.00 -1.01 0.00 0.00 31.44 30.09 3gqo n GLU 16 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 3gqo h GLY 17 N 1.91 0.00 -6.85 0.62 0.00 -1.91 -3.42 103.07 93.42 3gqo h GLY 17 Ca -0.36 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.41 3gqo h GLY 17 CO 0.61 0.00 -0.80 0.14 0.00 0.00 0.00 176.54 176.49 3gqo s VAL 18 N -3.27 1.18 -0.06 4.60 1.01 -1.25 -1.40 120.40 121.22 3gqo s VAL 18 Ca 0.06 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.54 3gqo s VAL 18 Cb 0.10 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 3gqo s VAL 18 CO 0.50 0.24 -0.24 -0.63 0.00 0.00 0.00 175.10 174.97 3gqo s ILE 19 N 1.62 2.17 0.02 2.22 1.01 -0.09 -1.02 121.20 127.13 3gqo s ILE 19 Ca 0.02 -1.02 -0.22 0.00 0.00 0.00 0.00 60.65 59.43 3gqo s ILE 19 Cb -0.14 -1.80 -0.06 0.00 0.01 0.00 0.00 42.46 40.48 3gqo s ILE 19 CO -0.08 0.57 0.64 -0.63 0.00 0.00 0.00 174.94 175.44 3gqo s ILE 20 N -0.16 4.84 -0.08 2.92 1.09 0.28 -1.56 121.20 128.53 3gqo s ILE 20 Ca -0.03 1.35 -0.14 0.00 -1.10 0.00 0.00 60.65 60.73 3gqo s ILE 20 Cb -0.14 -3.98 -0.05 0.00 -1.06 0.00 0.00 42.46 37.23 3gqo s ILE 20 CO 0.04 0.42 0.35 0.21 -0.10 0.00 0.00 174.94 175.86 3gqo s ASN 21 N -0.24 6.63 -1.12 3.58 2.47 0.29 -4.48 114.94 122.07 3gqo s ASN 21 Ca 0.33 0.75 -0.19 0.00 0.42 0.00 0.00 52.86 54.17 3gqo s ASN 21 Cb -0.19 -2.21 0.10 0.00 -1.45 0.00 0.00 41.25 37.50 3gqo s ASN 21 CO 0.19 0.22 1.46 0.00 -3.72 0.00 0.00 177.10 175.25 3gqo s ALA 22 N -0.35 3.31 0.52 1.71 0.00 -1.26 -1.46 121.76 124.23 3gqo s ALA 22 Ca 0.21 -2.80 0.03 0.00 0.00 0.00 0.00 51.96 49.40 3gqo s ALA 22 Cb -0.15 -4.37 0.03 0.00 0.00 0.00 0.00 23.12 18.63 3gqo s ALA 22 CO 0.09 -3.21 0.72 0.00 0.00 0.00 0.00 175.76 173.36 3gqo s ALA 23 N 3.53 4.11 0.26 0.00 0.00 0.11 -4.42 121.76 125.34 3gqo s ALA 23 Ca 0.45 -1.47 0.07 0.00 0.00 0.00 0.00 51.96 51.01 3gqo s ALA 23 Cb -0.00 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 3gqo s ALA 23 CO -0.02 -0.64 0.21 0.54 0.00 0.00 0.00 175.76 175.85 3gqo s ASN 24 N -4.42 5.52 0.17 0.00 2.20 -1.26 -4.25 114.94 112.89 3gqo s ASN 24 Ca 0.57 -0.27 0.14 0.00 -0.94 0.00 0.00 52.86 52.36 3gqo s ASN 24 Cb -0.10 -1.37 0.68 0.00 -2.00 0.00 0.00 41.25 38.46 3gqo s ASN 24 CO 0.37 -0.07 1.42 -1.54 -2.94 0.00 0.00 177.10 174.34 3gqo n SER 25 N -1.21 0.32 -0.34 3.54 3.41 -1.26 -0.96 113.62 117.12 3gqo n SER 25 Ca -0.07 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.28 3gqo n SER 25 Cb 0.58 -0.68 0.03 0.00 -0.26 0.00 0.00 64.21 63.88 3gqo n SER 25 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gqo n LYS 26 N -1.91 0.86 -1.73 4.33 4.01 -1.26 -0.50 118.16 121.95 3gqo n LYS 26 Ca 0.00 -0.68 -0.15 0.00 -0.51 0.00 0.00 58.31 56.97 3gqo n LYS 26 Cb 0.07 -1.49 -0.05 0.00 -0.51 0.00 0.00 35.03 33.06 3gqo n LYS 26 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3gqo n GLY 27 N 1.43 0.94 3.85 0.72 0.00 -0.14 -3.88 105.19 108.11 3gqo n GLY 27 Ca 0.08 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 3gqo n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gqo s GLN 28 N -3.80 3.06 0.21 1.61 -1.52 -1.26 -3.75 119.66 114.21 3gqo s GLN 28 Ca 0.00 -0.87 -0.28 0.00 -1.95 0.00 0.00 55.36 52.27 3gqo s GLN 28 Cb 0.00 -2.70 -0.09 0.00 -0.22 0.00 0.00 33.01 30.00 3gqo s GLN 28 CO 0.00 0.46 0.87 -1.25 -0.25 0.00 0.00 175.29 175.12 3gqo s PRO 29 N -3.44 4.71 0.00 2.91 0.04 -1.26 -4.59 135.00 133.37 3gqo s PRO 29 Ca 0.32 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.69 3gqo s PRO 29 Cb -0.09 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.20 3gqo s PRO 29 CO 0.25 0.53 0.00 0.41 0.04 0.00 0.00 177.00 178.23 3gqo n GLY 30 N 1.48 3.05 0.00 0.56 0.00 -1.26 -5.02 105.19 103.99 3gqo n GLY 30 Ca -0.03 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3gqo n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqo n GLY 31 N 0.00 1.06 7.00 -0.02 0.00 -1.26 -3.39 105.19 108.58 3gqo n GLY 31 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.06 3gqo n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqo n GLY 32 N 5.00 1.54 0.24 -0.02 0.00 -1.26 -2.60 105.19 108.09 3gqo n GLY 32 Ca 0.00 -0.58 0.16 0.00 0.00 0.00 0.00 46.02 45.60 3gqo n GLY 32 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3gqo h VAL 33 N 0.00 0.00 -0.02 1.61 -1.51 -1.95 -2.84 116.25 111.55 3gqo h VAL 33 Ca 0.00 -0.48 -0.01 0.00 -1.23 0.00 0.00 66.70 64.98 3gqo h VAL 33 Cb 0.00 1.42 -0.00 0.00 -2.13 0.00 0.00 31.29 30.58 3gqo h VAL 33 CO 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 177.57 176.31 3gqo h GLY 35 N -0.42 0.00 1.92 0.00 0.00 -1.46 0.68 103.07 103.79 3gqo h GLY 35 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.20 3gqo h GLY 35 CO 0.01 0.00 -0.70 0.00 0.00 0.00 0.00 176.54 175.85 3gqo h ALA 36 N 1.79 0.60 0.06 3.60 0.00 -1.38 -1.32 119.26 122.61 3gqo h ALA 36 Ca -0.00 -0.61 -0.34 0.00 0.00 0.00 0.00 54.91 53.97 3gqo h ALA 36 Cb 0.61 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3gqo h ALA 36 CO 0.03 0.81 -1.92 1.28 0.00 0.00 0.00 179.25 179.44 3gqo n LEU 37 N -3.23 1.80 -0.09 0.00 4.77 -0.79 -2.81 117.00 116.65 3gqo n LEU 37 Ca 0.00 0.27 -0.03 0.00 -0.03 0.00 0.00 56.01 56.22 3gqo n LEU 37 Cb 0.80 -0.50 0.19 0.00 -2.33 0.00 0.00 43.42 41.58 3gqo n LEU 37 CO 0.42 0.65 0.91 0.22 -1.33 0.00 0.00 177.39 178.27 3gqo h TYR 38 N 0.04 0.79 -0.56 -1.77 3.20 0.28 0.23 116.97 119.17 3gqo h TYR 38 Ca -0.38 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.38 3gqo h TYR 38 Cb 2.03 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 40.05 3gqo h TYR 38 CO 0.04 0.72 0.28 -0.22 -1.64 0.00 0.00 178.16 177.34 3gqo h LYS 39 N 0.71 0.80 0.15 1.82 1.63 -1.29 -2.93 116.57 117.46 3gqo h LYS 39 Ca 0.15 -0.11 -0.35 0.00 -0.85 0.00 0.00 60.65 59.48 3gqo h LYS 39 Cb 0.39 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 3gqo h LYS 39 CO 0.01 0.64 -1.85 0.87 -3.45 0.00 0.00 179.45 175.67 3gqo h LYS 40 N 0.76 0.31 -2.12 1.90 1.79 -1.35 -3.42 116.57 114.44 3gqo h LYS 40 Ca 0.19 -0.53 -0.54 0.00 -2.18 0.00 0.00 60.65 57.59 3gqo h LYS 40 Cb 0.09 0.20 -0.41 0.00 -1.58 0.00 0.00 32.23 30.53 3gqo h LYS 40 CO -0.03 1.22 -0.93 1.19 -1.08 0.00 0.00 179.45 179.83 3gqo n PHE 41 N -3.51 1.82 0.24 -1.35 3.72 0.78 -4.94 117.46 114.22 3gqo n PHE 41 Ca -0.27 -3.88 0.15 0.00 -0.05 0.00 0.00 57.45 53.39 3gqo n PHE 41 Cb 1.06 -0.45 0.81 0.00 -0.94 0.00 0.00 39.48 39.96 3gqo n PHE 41 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3gqo h PRO 42 N 3.27 0.00 -0.00 -1.08 0.13 -1.67 -1.83 132.00 130.82 3gqo h PRO 42 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3gqo h PRO 42 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3gqo h PRO 42 CO 0.64 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.80 3gqo n GLU 43 N -4.02 1.00 -0.83 0.86 4.71 -1.26 -2.28 120.64 118.82 3gqo n GLU 43 Ca -0.00 -0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.10 3gqo n GLU 43 Cb 0.21 -1.46 0.24 0.00 -1.01 0.00 0.00 31.44 29.41 3gqo n GLU 43 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 3gqo n SER 44 N -0.96 3.58 -4.29 1.62 7.64 -0.69 -4.39 113.62 116.14 3gqo n SER 44 Ca 0.22 -3.44 -0.28 0.00 1.01 0.00 0.00 58.87 56.38 3gqo n SER 44 Cb 0.10 -0.67 -0.15 0.00 -1.01 0.00 0.00 64.21 62.48 3gqo n SER 44 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3gqo s PHE 45 N -3.10 2.09 -0.44 1.43 0.08 -0.96 -4.67 117.98 112.40 3gqo s PHE 45 Ca 0.48 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 57.21 3gqo s PHE 45 Cb 0.41 -1.29 -0.06 0.00 -0.57 0.00 0.00 43.02 41.51 3gqo s PHE 45 CO 0.07 0.05 0.37 -0.40 -0.10 0.00 0.00 175.22 175.21 3gqo n ASP 46 N 2.11 0.53 -0.14 1.36 5.68 -1.26 -5.00 116.55 119.82 3gqo n ASP 46 Ca -0.16 -0.77 -0.02 0.00 -0.50 0.00 0.00 54.79 53.34 3gqo n ASP 46 Cb 0.52 0.86 -0.01 0.00 -1.14 0.00 0.00 41.12 41.35 3gqo n ASP 46 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3gqo n LEU 47 N -0.94 0.24 -4.80 -2.12 4.77 -1.25 -5.00 117.00 107.91 3gqo n LEU 47 Ca 0.02 0.05 -0.37 0.00 -0.03 0.00 0.00 56.01 55.68 3gqo n LEU 47 Cb 0.13 -1.47 -0.06 0.00 -2.33 0.00 0.00 43.42 39.68 3gqo n LEU 47 CO 0.13 -0.48 0.51 -1.10 -1.33 0.00 0.00 177.39 175.13 3gqo s GLN 48 N -1.30 4.41 0.55 3.23 -1.52 -1.26 -4.71 119.66 119.06 3gqo s GLN 48 Ca 0.00 1.08 -0.21 0.00 -1.95 0.00 0.00 55.36 54.27 3gqo s GLN 48 Cb 0.00 -2.89 -0.05 0.00 -0.22 0.00 0.00 33.01 29.85 3gqo s GLN 48 CO 0.00 0.37 1.24 -0.35 -0.25 0.00 0.00 175.29 176.30 3gqo n PRO 49 N 0.75 1.47 -4.73 2.91 -0.04 -1.25 -3.89 135.00 130.21 3gqo n PRO 49 Ca -0.01 0.54 -0.25 0.00 -0.04 0.00 0.00 63.50 63.74 3gqo n PRO 49 Cb 0.50 -2.43 -0.16 0.00 -0.04 0.00 0.00 33.50 31.37 3gqo n PRO 49 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3gqo s ILE 50 N -1.34 1.31 0.52 0.52 1.01 0.34 -4.90 121.20 118.67 3gqo s ILE 50 Ca 0.72 -0.62 -0.22 0.00 0.00 0.00 0.00 60.65 60.53 3gqo s ILE 50 Cb -0.43 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 3gqo s ILE 50 CO 0.49 0.39 1.29 -1.61 0.00 0.00 0.00 174.94 175.49 3gqo s GLU 51 N 0.30 3.31 0.31 2.79 2.02 -1.26 -4.18 118.70 121.99 3gqo s GLU 51 Ca -0.09 2.06 -0.29 0.00 0.02 0.00 0.00 54.97 56.67 3gqo s GLU 51 Cb -0.13 -2.28 -0.12 0.00 0.10 0.00 0.00 34.13 31.71 3gqo s GLU 51 CO 0.03 -1.00 1.55 0.28 0.02 0.00 0.00 175.26 176.15 3gqo n VAL 52 N -0.91 1.29 -0.87 2.63 0.31 -1.26 -1.39 118.33 118.12 3gqo n VAL 52 Ca 0.10 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3gqo n VAL 52 Cb 0.46 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 3gqo n VAL 52 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gqo n GLY 53 N 1.69 0.95 3.81 2.92 0.00 0.10 -4.96 105.19 109.70 3gqo n GLY 53 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 3gqo n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqo s LYS 54 N -0.12 2.28 0.06 1.61 1.02 -0.49 -2.53 119.74 121.57 3gqo s LYS 54 Ca 0.00 -1.91 -0.09 0.00 0.02 0.00 0.00 55.97 53.99 3gqo s LYS 54 Cb 0.00 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 3gqo s LYS 54 CO 0.00 -0.31 0.19 0.00 -0.92 0.00 0.00 175.35 174.32 3gqo s ALA 55 N -2.66 -0.31 -0.02 5.17 0.00 -1.26 -1.60 121.76 121.08 3gqo s ALA 55 Ca 0.37 -0.40 -0.00 0.00 0.00 0.00 0.00 51.96 51.92 3gqo s ALA 55 Cb 0.01 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.50 3gqo s ALA 55 CO 0.21 -0.42 0.04 0.50 0.00 0.00 0.00 175.76 176.09 3gqo s ARG 56 N -3.04 -0.01 -0.09 0.00 3.52 -0.95 -4.93 118.95 113.45 3gqo s ARG 56 Ca -0.01 0.15 -0.21 0.00 -0.13 0.00 0.00 55.73 55.53 3gqo s ARG 56 Cb 0.01 -0.16 -0.04 0.00 -1.56 0.00 0.00 34.95 33.20 3gqo s ARG 56 CO -0.06 -0.11 0.59 -1.17 -0.81 0.00 0.00 175.30 173.73 3gqo s LEU 57 N 0.74 4.29 -0.10 -0.88 2.96 -1.26 -0.63 118.68 123.81 3gqo s LEU 57 Ca -0.06 1.00 0.04 0.00 -0.22 0.00 0.00 54.13 54.89 3gqo s LEU 57 Cb -0.09 -2.89 0.00 0.00 0.50 0.00 0.00 46.19 43.71 3gqo s LEU 57 CO -0.02 -0.07 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.02 3gqo s VAL 58 N 0.75 2.02 -0.88 1.68 1.01 0.56 -4.99 120.40 120.55 3gqo s VAL 58 Ca 0.32 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 3gqo s VAL 58 Cb -0.16 -1.75 0.22 0.00 0.00 0.00 0.00 36.38 34.69 3gqo s VAL 58 CO 0.14 0.55 0.80 -0.54 0.00 0.00 0.00 175.10 176.05 3gqo s LYS 59 N 0.34 3.49 0.79 2.72 1.02 -1.26 -1.50 119.74 125.34 3gqo s LYS 59 Ca -0.19 -2.86 -0.11 0.00 0.02 0.00 0.00 55.97 52.84 3gqo s LYS 59 Cb -0.18 -4.22 0.07 0.00 -0.52 0.00 0.00 37.83 32.98 3gqo s LYS 59 CO 0.09 -1.25 1.09 0.20 -0.92 0.00 0.00 175.35 174.55 3gqo s GLY 60 N 1.14 1.66 0.30 -3.33 0.00 -0.77 -4.95 107.32 101.36 3gqo s GLY 60 Ca 0.23 0.12 -0.01 0.00 0.00 0.00 0.00 44.72 45.07 3gqo s GLY 60 CO -0.08 0.50 1.93 0.00 0.00 0.00 0.00 173.10 175.45 3gqo h ALA 61 N -1.15 1.46 0.11 3.20 0.00 -1.97 -3.27 119.26 117.63 3gqo h ALA 61 Ca -0.45 -0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.10 3gqo h ALA 61 Cb 1.24 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3gqo h ALA 61 CO 0.54 0.44 -1.68 0.00 0.00 0.00 0.00 179.25 178.55 3gqo h ALA 62 N 1.49 0.31 -2.99 0.00 0.00 -1.97 -3.48 119.26 112.62 3gqo h ALA 62 Ca 0.36 -1.26 -0.15 0.00 0.00 0.00 0.00 54.91 53.86 3gqo h ALA 62 Cb 0.05 0.63 -0.24 0.00 0.00 0.00 0.00 17.79 18.24 3gqo h ALA 62 CO -0.11 1.04 -0.41 0.21 0.00 0.00 0.00 179.25 179.98 3gqo s LYS 63 N -2.50 0.37 -0.36 0.00 2.47 -1.23 -5.02 119.74 113.46 3gqo s LYS 63 Ca -0.22 0.16 -0.15 0.00 -1.56 0.00 0.00 55.97 54.20 3gqo s LYS 63 Cb 0.06 0.17 -0.00 0.00 -1.46 0.00 0.00 37.83 36.59 3gqo s LYS 63 CO 0.74 -0.07 0.34 -1.01 0.16 0.00 0.00 175.35 175.52 3gqo s HIS 64 N -0.29 3.21 -0.14 4.03 3.76 -0.49 -1.84 115.29 123.52 3gqo s HIS 64 Ca -0.04 -0.17 -0.03 0.00 -0.15 0.00 0.00 55.06 54.67 3gqo s HIS 64 Cb -0.03 -2.66 -0.03 0.00 1.11 0.00 0.00 32.58 30.98 3gqo s HIS 64 CO 0.01 -0.47 -0.06 0.42 -0.85 0.00 0.00 174.74 173.79 3gqo s ILE 65 N 1.94 3.74 -0.39 0.60 1.01 -0.56 -0.91 121.20 126.63 3gqo s ILE 65 Ca 0.10 -0.42 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 3gqo s ILE 65 Cb -0.17 -2.61 0.03 0.00 0.01 0.00 0.00 42.46 39.72 3gqo s ILE 65 CO 0.12 0.51 0.24 -0.63 0.00 0.00 0.00 174.94 175.18 3gqo s ILE 66 N 0.19 4.74 -0.57 2.92 1.01 -0.60 -0.32 121.20 128.56 3gqo s ILE 66 Ca -0.03 -0.86 -0.21 0.00 0.00 0.00 0.00 60.65 59.55 3gqo s ILE 66 Cb -0.14 -3.67 0.07 0.00 0.01 0.00 0.00 42.46 38.73 3gqo s ILE 66 CO 0.03 -0.29 0.80 -1.00 0.00 0.00 0.00 174.94 174.49 3gqo s HIS 67 N 1.58 2.88 -0.19 3.97 3.76 0.20 -0.55 115.29 126.95 3gqo s HIS 67 Ca 0.03 -0.52 -0.06 0.00 -0.15 0.00 0.00 55.06 54.36 3gqo s HIS 67 Cb -0.20 -3.95 -0.04 0.00 1.11 0.00 0.00 32.58 29.51 3gqo s HIS 67 CO 0.07 -1.32 0.04 0.00 -0.85 0.00 0.00 174.74 172.68 3gqo s ALA 68 N 3.31 3.26 -0.61 -1.40 0.00 -0.53 -2.24 121.76 123.54 3gqo s ALA 68 Ca 0.19 -0.82 -0.17 0.00 0.00 0.00 0.00 51.96 51.16 3gqo s ALA 68 Cb -0.18 -1.85 0.13 0.00 0.00 0.00 0.00 23.12 21.21 3gqo s ALA 68 CO 0.12 0.08 0.65 0.08 0.00 0.00 0.00 175.76 176.70 3gqo s VAL 69 N 0.56 5.05 0.82 0.00 1.01 -0.63 -0.72 120.40 126.50 3gqo s VAL 69 Ca 0.02 -1.38 -0.11 0.00 0.00 0.00 0.00 61.98 60.50 3gqo s VAL 69 Cb -0.13 -4.45 0.08 0.00 0.00 0.00 0.00 36.38 31.88 3gqo s VAL 69 CO 0.02 -1.04 1.09 -0.83 0.00 0.00 0.00 175.10 174.34 3gqo s GLY 70 N 3.45 1.63 0.58 4.51 0.00 -1.26 0.02 107.32 116.25 3gqo s GLY 70 Ca 0.10 -0.12 -0.17 0.00 0.00 0.00 0.00 44.72 44.53 3gqo s GLY 70 CO 0.03 0.31 1.09 2.56 0.00 0.00 0.00 173.10 177.09 3gqo s PRO 71 N -5.07 3.26 -0.51 2.90 0.04 -1.26 -4.74 135.00 129.61 3gqo s PRO 71 Ca 0.61 1.41 -0.18 0.00 0.04 0.00 0.00 61.00 62.89 3gqo s PRO 71 Cb -0.15 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.45 3gqo s PRO 71 CO 0.55 -0.88 0.57 1.21 0.04 0.00 0.00 177.00 178.49 3gqo s ASN 72 N -2.28 6.19 0.00 6.66 3.84 -1.26 -4.66 114.94 123.44 3gqo s ASN 72 Ca 0.68 -1.16 0.19 0.00 0.21 0.00 0.00 52.86 52.78 3gqo s ASN 72 Cb -0.20 -2.26 1.06 0.00 -0.55 0.00 0.00 41.25 39.30 3gqo s ASN 72 CO 0.32 -0.86 1.59 0.49 -2.79 0.00 0.00 177.10 175.85 3gqo n PHE 73 N 5.88 0.00 0.17 0.43 3.01 0.05 -0.81 117.46 126.19 3gqo n PHE 73 Ca -0.09 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.39 3gqo n PHE 73 Cb 0.44 -0.17 0.28 0.00 -0.01 0.00 0.00 39.48 40.02 3gqo n PHE 73 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3gqo h ASN 74 N 0.00 0.00 0.00 4.37 4.21 -1.88 -3.39 115.58 118.89 3gqo h ASN 74 Ca 0.00 0.00 -0.29 0.00 1.21 0.00 0.00 56.30 57.22 3gqo h ASN 74 Cb 0.11 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.26 3gqo h ASN 74 CO 0.00 0.47 -1.99 0.29 -1.29 0.00 0.00 177.43 174.91 3gqo n LYS 75 N -3.75 0.39 -2.73 0.81 4.76 0.01 -5.04 118.16 112.61 3gqo n LYS 75 Ca -0.01 0.15 -0.27 0.00 -2.87 0.00 0.00 58.31 55.31 3gqo n LYS 75 Cb 0.53 -1.19 -0.00 0.00 -1.84 0.00 0.00 35.03 32.53 3gqo n LYS 75 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3gqo s VAL 76 N -2.33 4.93 0.78 -0.18 -7.23 -0.42 -5.08 120.40 110.88 3gqo s VAL 76 Ca -0.24 0.14 -0.11 0.00 -1.81 0.00 0.00 61.98 59.95 3gqo s VAL 76 Cb 0.09 -3.86 0.06 0.00 0.56 0.00 0.00 36.38 33.23 3gqo s VAL 76 CO 0.33 -0.80 1.09 -0.94 -0.31 0.00 0.00 175.10 174.47 3gqo s SER 77 N -4.06 4.61 0.16 4.85 1.04 -1.26 -4.66 113.70 114.38 3gqo s SER 77 Ca 0.47 1.36 -0.16 0.00 0.48 0.00 0.00 55.95 58.10 3gqo s SER 77 Cb -0.10 -2.12 0.08 0.00 0.10 0.00 0.00 66.02 63.99 3gqo s SER 77 CO 0.43 -1.90 1.73 -0.33 0.98 0.00 0.00 173.24 174.16 3gqo h GLU 78 N -1.04 0.22 -0.33 4.02 4.39 -1.97 0.26 114.58 120.13 3gqo h GLU 78 Ca -0.46 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.19 3gqo h GLU 78 Cb 1.26 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 3gqo h GLU 78 CO 0.59 0.15 0.09 0.28 -1.16 0.00 0.00 179.01 178.95 3gqo h VAL 79 N 0.23 1.22 -0.36 3.13 2.07 -1.99 -1.51 116.25 119.02 3gqo h VAL 79 Ca 0.18 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 3gqo h VAL 79 Cb 0.19 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3gqo h VAL 79 CO -0.22 0.24 0.02 -0.08 0.02 0.00 0.00 177.57 177.56 3gqo h GLU 80 N 0.38 0.63 0.00 1.57 4.57 -1.86 -2.87 114.58 117.00 3gqo h GLU 80 Ca 0.11 -0.19 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 3gqo h GLU 80 Cb 0.28 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.81 3gqo h GLU 80 CO -0.00 0.73 -0.08 0.78 -1.18 0.00 0.00 179.01 179.26 3gqo h GLY 81 N 0.45 0.00 1.76 1.92 0.00 -0.47 -2.58 103.07 104.16 3gqo h GLY 81 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.23 3gqo h GLY 81 CO 0.01 0.00 -0.91 -1.80 0.00 0.00 0.00 176.54 173.84 3gqo h ASP 82 N 0.00 0.28 -0.47 0.19 3.58 -1.18 -1.90 116.42 116.92 3gqo h ASP 82 Ca -0.00 -0.23 -0.09 0.00 0.42 0.00 0.00 57.03 57.13 3gqo h ASP 82 Cb 0.61 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 3gqo h ASP 82 CO 0.01 1.05 -0.05 0.50 -2.88 0.00 0.00 179.24 177.87 3gqo h LYS 83 N 0.11 0.86 0.00 0.28 3.64 -1.28 -2.87 116.57 117.31 3gqo h LYS 83 Ca -0.05 -0.30 -0.17 0.00 -1.27 0.00 0.00 60.65 58.86 3gqo h LYS 83 Cb 1.55 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.29 3gqo h LYS 83 CO 0.14 0.93 -0.80 1.96 -2.27 0.00 0.00 179.45 179.41 3gqo h GLN 84 N 0.71 0.00 -0.01 1.90 4.20 -1.47 -0.52 115.11 119.91 3gqo h GLN 84 Ca 0.13 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 3gqo h GLN 84 Cb 0.58 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 3gqo h GLN 84 CO 0.03 0.80 0.00 1.25 -0.67 0.00 0.00 178.83 180.25 3gqo h LEU 85 N 0.00 0.02 -0.17 1.46 5.85 -1.37 0.15 115.31 121.25 3gqo h LEU 85 Ca -0.01 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.52 3gqo h LEU 85 Cb 1.54 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.51 3gqo h LEU 85 CO 0.10 0.26 -0.17 0.00 -0.34 0.00 0.00 178.44 178.30 3gqo h ALA 86 N 0.76 -0.06 -0.35 1.25 0.00 -1.40 -2.39 119.26 117.07 3gqo h ALA 86 Ca 0.00 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3gqo h ALA 86 Cb 0.25 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 3gqo h ALA 86 CO 0.00 -0.60 -0.24 0.93 0.00 0.00 0.00 179.25 179.33 3gqo h GLU 87 N -0.19 -0.19 -0.64 0.00 5.08 -0.93 -0.67 114.58 117.04 3gqo h GLU 87 Ca 0.11 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3gqo h GLU 87 Cb 0.35 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 3gqo h GLU 87 CO -0.28 -0.13 0.40 0.00 -1.00 0.00 0.00 179.01 178.00 3gqo h ALA 88 N 0.94 0.82 -0.67 3.43 0.00 -0.31 0.72 119.26 124.19 3gqo h ALA 88 Ca 0.17 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3gqo h ALA 88 Cb 0.47 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3gqo h ALA 88 CO -0.47 0.16 0.11 1.88 0.00 0.00 0.00 179.25 180.93 3gqo h TYR 89 N 0.79 1.17 -0.87 0.00 0.05 -1.25 -2.27 116.97 114.59 3gqo h TYR 89 Ca 0.25 -0.16 0.10 0.00 0.05 0.00 0.00 58.73 58.97 3gqo h TYR 89 Cb 0.00 -0.32 -0.06 0.00 1.01 0.00 0.00 36.73 37.36 3gqo h TYR 89 CO -0.05 0.98 0.56 0.93 -1.05 0.00 0.00 178.16 179.54 3gqo h GLU 90 N 1.03 0.80 -0.44 4.88 5.08 -0.18 -0.69 114.58 125.07 3gqo h GLU 90 Ca 0.20 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 3gqo h GLU 90 Cb 0.44 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3gqo h GLU 90 CO 0.01 0.53 -0.04 0.77 -1.00 0.00 0.00 179.01 179.28 3gqo h SER 91 N 0.83 0.79 0.25 1.42 0.02 -0.39 -0.95 113.55 115.52 3gqo h SER 91 Ca 0.41 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3gqo h SER 91 Cb 0.45 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 3gqo h SER 91 CO -0.17 0.93 -0.22 0.40 -1.14 0.00 0.00 176.83 176.63 3gqo h ILE 92 N 0.63 0.52 -0.60 3.27 2.04 -1.02 -2.38 117.51 119.98 3gqo h ILE 92 Ca 0.12 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.10 3gqo h ILE 92 Cb 0.55 0.52 -0.10 0.00 -0.74 0.00 0.00 36.82 37.05 3gqo h ILE 92 CO 0.03 0.00 0.03 0.00 0.00 0.00 0.00 178.15 178.21 3gqo h ALA 93 N 0.18 0.62 -0.77 1.87 0.00 -0.90 0.40 119.26 120.66 3gqo h ALA 93 Ca -0.01 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3gqo h ALA 93 Cb 0.45 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3gqo h ALA 93 CO -0.03 -0.38 0.36 -0.22 0.00 0.00 0.00 179.25 178.98 3gqo h LYS 94 N 0.15 1.11 -0.04 0.00 1.63 -0.99 -1.08 116.57 117.35 3gqo h LYS 94 Ca 0.31 -0.16 -0.14 0.00 -0.85 0.00 0.00 60.65 59.81 3gqo h LYS 94 Cb 0.50 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 3gqo h LYS 94 CO -0.49 0.86 -0.63 0.82 -3.45 0.00 0.00 179.45 176.57 3gqo h ILE 95 N 1.10 1.42 0.14 2.00 2.04 -0.63 -0.79 117.51 122.80 3gqo h ILE 95 Ca 0.26 -2.08 -0.01 0.00 1.00 0.00 0.00 64.86 64.04 3gqo h ILE 95 Cb 0.13 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 3gqo h ILE 95 CO -0.03 0.60 -0.07 0.58 0.00 0.00 0.00 178.15 179.23 3gqo h VAL 96 N 0.10 0.99 -0.05 1.67 2.07 -0.54 -2.11 116.25 118.39 3gqo h VAL 96 Ca -0.01 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.89 3gqo h VAL 96 Cb 1.13 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 3gqo h VAL 96 CO 0.09 0.15 -0.06 0.78 0.02 0.00 0.00 177.57 178.55 3gqo h ASN 97 N -0.50 -0.17 -0.58 0.57 -0.26 -1.16 0.59 115.58 114.06 3gqo h ASN 97 Ca -0.02 0.03 0.07 0.00 -0.56 0.00 0.00 56.30 55.83 3gqo h ASN 97 Cb 0.40 0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.71 3gqo h ASN 97 CO 0.03 -0.08 0.39 0.44 -1.06 0.00 0.00 177.43 177.15 3gqo h ASP 98 N -0.08 0.44 -0.22 5.81 5.19 -1.13 -1.40 116.42 125.03 3gqo h ASP 98 Ca 0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3gqo h ASP 98 Cb 0.14 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.56 3gqo h ASP 98 CO -0.10 0.28 0.00 0.59 -3.12 0.00 0.00 179.24 176.89 3gqo n ASN 99 N -4.48 3.15 -3.54 6.45 3.02 -0.80 -4.98 115.26 114.09 3gqo n ASN 99 Ca 0.09 -1.95 -0.26 0.00 -0.03 0.00 0.00 54.58 52.42 3gqo n ASN 99 Cb 0.29 -0.13 -0.00 0.00 -0.61 0.00 0.00 39.78 39.32 3gqo n ASN 99 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3gqo n ASN 100 N 1.34 -3.84 -4.70 6.41 4.13 0.12 -4.91 115.26 113.82 3gqo n ASN 100 Ca 0.16 -0.52 -0.42 0.00 1.68 0.00 0.00 54.58 55.48 3gqo n ASN 100 Cb 0.57 -3.15 -0.03 0.00 -1.54 0.00 0.00 39.78 35.63 3gqo n ASN 100 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3gqo s TYR 101 N -3.02 2.59 -0.20 3.10 2.02 -0.72 -4.91 117.35 116.21 3gqo s TYR 101 Ca 0.48 0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 57.57 3gqo s TYR 101 Cb -0.25 -3.96 -0.21 0.00 -0.40 0.00 0.00 41.96 37.14 3gqo s TYR 101 CO 0.59 -3.76 0.04 1.63 -1.57 0.00 0.00 175.55 172.48 3gqo n LYS 102 N 5.16 0.69 -4.67 -0.62 4.76 -1.26 -4.52 118.16 117.71 3gqo n LYS 102 Ca 0.15 0.19 -0.33 0.00 -2.87 0.00 0.00 58.31 55.46 3gqo n LYS 102 Cb 0.40 -1.60 -0.15 0.00 -1.84 0.00 0.00 35.03 31.84 3gqo n LYS 102 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3gqo s SER 103 N -6.68 3.62 -0.06 4.39 1.04 -1.26 0.19 113.70 114.95 3gqo s SER 103 Ca -0.28 -0.46 -0.03 0.00 0.48 0.00 0.00 55.95 55.65 3gqo s SER 103 Cb 0.08 -1.55 0.03 0.00 0.10 0.00 0.00 66.02 64.68 3gqo s SER 103 CO 0.68 0.11 0.13 0.54 0.98 0.00 0.00 173.24 175.68 3gqo s VAL 104 N 0.67 -0.03 -0.21 5.02 0.11 -0.75 -3.76 120.40 121.45 3gqo s VAL 104 Ca -0.08 0.10 -0.03 0.00 -2.93 0.00 0.00 61.98 59.03 3gqo s VAL 104 Cb -0.16 -0.21 -0.00 0.00 -1.53 0.00 0.00 36.38 34.48 3gqo s VAL 104 CO 0.02 0.04 -0.07 0.00 -3.33 0.00 0.00 175.10 171.76 3gqo s ALA 105 N 0.65 2.75 -0.09 1.54 0.00 -0.18 -0.53 121.76 125.89 3gqo s ALA 105 Ca -0.05 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.76 3gqo s ALA 105 Cb -0.07 -1.62 0.01 0.00 0.00 0.00 0.00 23.12 21.44 3gqo s ALA 105 CO -0.03 -0.40 -0.14 0.42 0.00 0.00 0.00 175.76 175.61 3gqo s ILE 106 N 1.42 1.30 0.79 0.00 1.01 -0.08 -0.56 121.20 125.09 3gqo s ILE 106 Ca 0.05 -0.55 -0.10 0.00 0.00 0.00 0.00 60.65 60.05 3gqo s ILE 106 Cb -0.14 -1.20 0.09 0.00 0.01 0.00 0.00 42.46 41.23 3gqo s ILE 106 CO -0.04 0.40 1.13 -2.16 0.00 0.00 0.00 174.94 174.26 3gqo s PRO 107 N 0.84 1.83 -0.55 2.79 0.04 -1.26 -1.69 135.00 137.00 3gqo s PRO 107 Ca -0.11 -0.18 -0.22 0.00 0.04 0.00 0.00 61.00 60.53 3gqo s PRO 107 Cb -0.15 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.40 3gqo s PRO 107 CO 0.01 -1.58 0.83 -0.51 0.04 0.00 0.00 177.00 175.79 3gqo s LEU 108 N -5.47 4.49 0.63 -3.56 1.43 -1.26 -4.89 118.68 110.05 3gqo s LEU 108 Ca 0.63 -0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 52.88 3gqo s LEU 108 Cb -0.09 -2.62 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 3gqo s LEU 108 CO 0.48 -1.14 1.24 -0.76 0.23 0.00 0.00 176.35 176.39 3gqo s LEU 109 N 3.46 3.60 -1.84 1.79 1.43 -1.26 -3.23 118.68 122.62 3gqo s LEU 109 Ca 0.23 2.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.79 3gqo s LEU 109 Cb -0.16 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.46 3gqo s LEU 109 CO 0.15 -1.80 0.00 -1.20 0.23 0.00 0.00 176.35 173.73 3gqo n SER 110 N -1.82 -5.54 -0.28 2.29 7.64 -1.26 -4.81 113.62 109.84 3gqo n SER 110 Ca 0.14 0.18 0.04 0.00 1.01 0.00 0.00 58.87 60.24 3gqo n SER 110 Cb 0.49 -4.65 0.03 0.00 -1.01 0.00 0.00 64.21 59.07 3gqo n SER 110 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3gqo n THR 111 N -3.40 0.00 0.00 0.44 -2.24 -1.20 -3.30 114.28 104.58 3gqo n THR 111 Ca -0.22 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 3gqo n THR 111 Cb 0.67 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 70.04 3gqo n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gqo n GLY 112 N 0.44 1.11 0.39 3.38 0.00 -1.26 -4.66 105.19 104.59 3gqo n GLY 112 Ca 0.04 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.23 3gqo n GLY 112 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gqo h ILE 113 N 0.00 0.73 -0.01 -0.61 2.04 -1.98 -0.52 117.51 117.16 3gqo h ILE 113 Ca 0.00 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3gqo h ILE 113 Cb 0.00 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 3gqo h ILE 113 CO 0.00 0.09 -0.01 0.49 0.00 0.00 0.00 178.15 178.72 3gqo n PHE 114 N -4.54 0.00 0.28 1.37 3.01 -1.26 -4.38 117.46 111.94 3gqo n PHE 114 Ca 0.19 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.80 3gqo n PHE 114 Cb 0.62 -0.01 0.57 0.00 -0.01 0.00 0.00 39.48 40.65 3gqo n PHE 114 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3gqo h SER 115 N 2.01 0.00 -1.33 4.37 4.64 -1.07 0.17 113.55 122.33 3gqo h SER 115 Ca 0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 3gqo h SER 115 Cb 0.44 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.48 3gqo h SER 115 CO 0.00 0.00 -0.30 0.61 -0.87 0.00 0.00 176.83 176.27 3gqo n GLY 116 N 0.27 0.51 2.68 -0.77 0.00 -1.26 -2.85 105.19 103.76 3gqo n GLY 116 Ca 0.01 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 3gqo n GLY 116 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gqo n ASN 117 N -0.34 -5.61 -4.65 1.61 5.03 -1.26 -4.91 115.26 105.13 3gqo n ASN 117 Ca -0.15 -0.16 -0.31 0.00 0.87 0.00 0.00 54.58 54.83 3gqo n ASN 117 Cb 0.54 -4.52 -0.09 0.00 -1.02 0.00 0.00 39.78 34.68 3gqo n ASN 117 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3gqo s LYS 118 N -5.33 2.53 -0.43 3.52 -0.14 -1.13 -5.07 119.74 113.70 3gqo s LYS 118 Ca 0.16 -0.80 -0.28 0.00 -1.36 0.00 0.00 55.97 53.70 3gqo s LYS 118 Cb -0.07 -2.52 -0.01 0.00 -1.68 0.00 0.00 37.83 33.55 3gqo s LYS 118 CO 0.20 0.57 1.64 0.34 -0.76 0.00 0.00 175.35 177.34 3gqo s ASP 119 N -1.94 5.96 -0.06 2.83 -1.08 -1.26 -4.85 116.67 116.27 3gqo s ASP 119 Ca 0.22 0.89 0.09 0.00 -0.52 0.00 0.00 52.55 53.23 3gqo s ASP 119 Cb -0.11 -2.53 0.20 0.00 -1.46 0.00 0.00 42.92 39.02 3gqo s ASP 119 CO 0.14 -1.73 1.14 0.54 0.52 0.00 0.00 175.17 175.78 3gqo n ARG 120 N 8.47 2.49 -0.29 4.34 1.74 -1.26 -4.78 116.66 127.37 3gqo n ARG 120 Ca 0.19 -2.07 -0.10 0.00 -0.77 0.00 0.00 57.85 55.10 3gqo n ARG 120 Cb 0.48 -1.29 -0.08 0.00 -1.02 0.00 0.00 32.46 30.54 3gqo n ARG 120 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3gqo h LEU 121 N 0.59 -1.76 -0.38 0.55 6.46 -1.93 0.35 115.31 119.20 3gqo h LEU 121 Ca 0.00 0.26 0.01 0.00 -0.12 0.00 0.00 57.88 58.02 3gqo h LEU 121 Cb 0.80 0.76 -0.02 0.00 -0.73 0.00 0.00 40.66 41.47 3gqo h LEU 121 CO 0.03 -0.24 0.25 0.74 -0.62 0.00 0.00 178.44 178.60 3gqo h THR 122 N -0.10 1.09 0.16 1.05 2.02 -1.99 0.67 112.91 115.81 3gqo h THR 122 Ca 0.11 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3gqo h THR 122 Cb 0.39 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 3gqo h THR 122 CO -0.71 0.09 -0.15 -0.61 0.37 0.00 0.00 175.52 174.51 3gqo h GLN 123 N 0.51 -0.32 -0.51 6.66 4.15 -1.83 -0.37 115.11 123.39 3gqo h GLN 123 Ca 0.14 0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.48 3gqo h GLN 123 Cb -0.05 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 3gqo h GLN 123 CO -0.03 -0.21 -0.07 1.03 -1.93 0.00 0.00 178.83 177.61 3gqo h SER 124 N -0.33 0.94 0.18 -0.69 0.87 -0.66 -2.64 113.55 111.21 3gqo h SER 124 Ca 0.00 -0.34 0.01 0.00 -1.23 0.00 0.00 61.79 60.23 3gqo h SER 124 Cb 0.31 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 3gqo h SER 124 CO -0.04 1.06 -0.24 0.25 -0.53 0.00 0.00 176.83 177.33 3gqo h LEU 125 N 0.80 -0.67 -0.50 2.23 5.85 -0.81 -0.38 115.31 121.83 3gqo h LEU 125 Ca 0.14 0.07 0.10 0.00 0.84 0.00 0.00 57.88 59.03 3gqo h LEU 125 Cb 0.62 0.24 -0.10 0.00 0.37 0.00 0.00 40.66 41.79 3gqo h LEU 125 CO 0.04 -0.34 -0.15 0.78 -0.34 0.00 0.00 178.44 178.43 3gqo h ASN 126 N -0.48 -0.53 -0.11 1.25 2.35 -0.89 0.34 115.58 117.51 3gqo h ASN 126 Ca 0.01 0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.88 3gqo h ASN 126 Cb 0.48 0.33 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 3gqo h ASN 126 CO -0.10 -0.18 -0.04 0.45 -1.65 0.00 0.00 177.43 175.90 3gqo h HIS 127 N -0.03 0.37 0.24 1.19 3.86 -1.37 0.15 115.15 119.56 3gqo h HIS 127 Ca 0.24 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 3gqo h HIS 127 Cb 0.39 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.76 3gqo h HIS 127 CO -0.44 0.41 -0.12 1.25 0.86 0.00 0.00 177.93 179.89 3gqo h LEU 128 N 0.35 -0.28 -0.50 2.43 6.46 0.88 -2.52 115.31 122.13 3gqo h LEU 128 Ca 0.08 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 3gqo h LEU 128 Cb 0.31 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 3gqo h LEU 128 CO 0.01 -0.01 0.33 -0.07 -0.62 0.00 0.00 178.44 178.08 3gqo h LEU 129 N -0.56 0.57 0.12 2.25 3.38 -0.09 -0.11 115.31 120.87 3gqo h LEU 129 Ca -0.03 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3gqo h LEU 129 Cb 0.41 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3gqo h LEU 129 CO 0.06 0.42 -0.23 0.74 0.09 0.00 0.00 178.44 179.51 3gqo h THR 130 N 0.67 0.48 -0.27 0.22 2.02 -0.75 -1.34 112.91 113.93 3gqo h THR 130 Ca 0.18 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.33 3gqo h THR 130 Cb -0.07 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 3gqo h THR 130 CO -0.04 0.00 0.06 0.00 0.37 0.00 0.00 175.52 175.91 3gqo h ALA 131 N 0.33 0.36 0.00 6.16 0.00 -1.27 -3.20 119.26 121.65 3gqo h ALA 131 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3gqo h ALA 131 Cb 0.45 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3gqo h ALA 131 CO -0.13 0.03 0.00 -0.07 0.00 0.00 0.00 179.25 179.08 3gqo h LEU 132 N 0.27 0.00 -2.31 0.00 -0.00 -0.92 -2.57 115.31 109.78 3gqo h LEU 132 Ca 0.09 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 58.00 3gqo h LEU 132 Cb 0.30 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.96 3gqo h LEU 132 CO 0.00 0.00 0.13 0.44 -0.00 0.00 0.00 178.44 179.01 3gqo h ASP 133 N 0.00 0.00 -0.17 -0.43 5.19 -1.23 -1.11 116.42 118.67 3gqo h ASP 133 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3gqo h ASP 133 Cb 0.70 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.21 3gqo h ASP 133 CO 0.00 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 176.47 3gqo n THR 134 N -3.81 0.23 -4.65 0.35 -2.24 -0.97 -4.72 114.28 98.47 3gqo n THR 134 Ca -0.00 -0.24 -0.30 0.00 -2.27 0.00 0.00 64.05 61.23 3gqo n THR 134 Cb 0.24 0.12 -0.09 0.00 -2.10 0.00 0.00 70.33 68.50 3gqo n THR 134 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3gqo s THR 135 N -1.77 1.57 -0.42 4.28 -4.23 -0.42 -4.97 115.64 109.68 3gqo s THR 135 Ca 0.17 -1.97 0.08 0.00 -1.18 0.00 0.00 61.69 58.79 3gqo s THR 135 Cb 0.09 -2.54 0.43 0.00 1.34 0.00 0.00 72.50 71.82 3gqo s THR 135 CO 0.13 0.00 1.06 -0.90 -0.54 0.00 0.00 174.62 174.37 3gqo n ASP 136 N -1.16 3.92 -4.87 3.99 5.68 -1.26 -3.67 116.55 119.19 3gqo n ASP 136 Ca -0.12 -3.48 -0.30 0.00 -0.50 0.00 0.00 54.79 50.38 3gqo n ASP 136 Cb 0.67 -0.48 -0.03 0.00 -1.14 0.00 0.00 41.12 40.13 3gqo n ASP 136 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gqo s ALA 137 N -3.43 3.34 -0.39 2.12 0.00 -1.26 -4.75 121.76 117.39 3gqo s ALA 137 Ca 0.43 -0.18 -0.21 0.00 0.00 0.00 0.00 51.96 52.00 3gqo s ALA 137 Cb 0.41 -2.71 0.01 0.00 0.00 0.00 0.00 23.12 20.83 3gqo s ALA 137 CO -0.14 0.02 0.67 -0.51 0.00 0.00 0.00 175.76 175.80 3gqo s ASP 138 N -3.08 6.41 -0.29 0.00 1.01 0.50 -1.85 116.67 119.37 3gqo s ASP 138 Ca 0.51 0.01 -0.10 0.00 0.71 0.00 0.00 52.55 53.68 3gqo s ASP 138 Cb -0.10 -2.34 -0.03 0.00 1.01 0.00 0.00 42.92 41.45 3gqo s ASP 138 CO 0.30 -0.70 0.16 -0.69 0.21 0.00 0.00 175.17 174.46 3gqo s VAL 139 N 2.85 4.96 -0.30 -1.27 1.01 0.40 -1.81 120.40 126.24 3gqo s VAL 139 Ca 0.25 -0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.99 3gqo s VAL 139 Cb -0.14 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 3gqo s VAL 139 CO 0.17 0.21 0.54 0.00 0.00 0.00 0.00 175.10 176.01 3gqo s ALA 140 N 1.70 3.53 -0.27 5.51 0.00 0.31 -1.38 121.76 131.16 3gqo s ALA 140 Ca 0.06 -0.77 -0.17 0.00 0.00 0.00 0.00 51.96 51.09 3gqo s ALA 140 Cb -0.16 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 3gqo s ALA 140 CO 0.08 -0.99 0.47 0.42 0.00 0.00 0.00 175.76 175.74 3gqo s ILE 141 N 2.41 5.10 0.02 0.00 1.01 0.84 -0.90 121.20 129.67 3gqo s ILE 141 Ca 0.21 0.76 -0.09 0.00 0.00 0.00 0.00 60.65 61.53 3gqo s ILE 141 Cb -0.15 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 3gqo s ILE 141 CO 0.11 0.10 0.32 -0.31 0.00 0.00 0.00 174.94 175.16 3gqo s TYR 142 N 2.23 3.61 0.22 3.97 1.51 -0.68 -0.11 117.35 128.10 3gqo s TYR 142 Ca 0.19 0.71 -0.15 0.00 -1.01 0.00 0.00 57.07 56.81 3gqo s TYR 142 Cb -0.16 -2.09 0.01 0.00 -0.11 0.00 0.00 41.96 39.62 3gqo s TYR 142 CO 0.10 0.60 0.49 0.00 -1.11 0.00 0.00 175.55 175.63 3gqo n ARG 144 N -0.35 2.96 -2.70 0.00 1.74 -1.26 -1.01 116.66 116.04 3gqo n ARG 144 Ca -0.06 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.61 3gqo n ARG 144 Cb 0.62 -0.91 -0.04 0.00 -1.02 0.00 0.00 32.46 31.11 3gqo n ARG 144 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3gqo s ASP 145 N -2.50 7.45 0.23 0.55 3.68 -1.26 -4.83 116.67 119.99 3gqo s ASP 145 Ca 0.00 1.80 -0.06 0.00 2.13 0.00 0.00 52.55 56.42 3gqo s ASP 145 Cb 0.00 -2.59 0.22 0.00 -1.45 0.00 0.00 42.92 39.11 3gqo s ASP 145 CO 0.00 -0.13 1.80 0.11 0.13 0.00 0.00 175.17 177.08 3gqo h LYS 146 N 5.81 1.12 -0.51 4.34 1.57 -1.99 -1.37 116.57 125.54 3gqo h LYS 146 Ca -0.43 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.11 3gqo h LYS 146 Cb 1.21 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 3gqo h LYS 146 CO 0.73 0.91 0.14 0.87 -0.57 0.00 0.00 179.45 181.53 3gqo h LYS 147 N 1.09 0.76 -0.41 3.15 1.57 -2.00 -2.30 116.57 118.43 3gqo h LYS 147 Ca 0.25 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 3gqo h LYS 147 Cb 0.22 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3gqo h LYS 147 CO -0.02 0.67 -0.07 -1.49 -0.57 0.00 0.00 179.45 177.98 3gqo h TRP 148 N 0.74 0.86 -0.03 -1.35 4.06 -1.88 -1.95 115.95 116.41 3gqo h TRP 148 Ca 0.17 -0.17 0.04 0.00 2.06 0.00 0.00 58.89 60.98 3gqo h TRP 148 Cb 0.24 -0.21 -0.05 0.00 -1.00 0.00 0.00 29.16 28.14 3gqo h TRP 148 CO 0.01 0.88 -0.32 1.49 -3.56 0.00 0.00 178.44 176.94 3gqo h GLU 149 N 0.60 -0.44 -0.12 0.49 4.81 -0.73 0.84 114.58 120.03 3gqo h GLU 149 Ca 0.11 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.41 3gqo h GLU 149 Cb 0.58 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.00 3gqo h GLU 149 CO 0.03 -0.29 -0.24 0.52 -0.73 0.00 0.00 179.01 178.30 3gqo h MET 150 N -0.46 -0.31 -0.82 1.92 2.86 -1.43 0.97 114.93 117.67 3gqo h MET 150 Ca 0.07 0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.81 3gqo h MET 150 Cb 0.56 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.23 3gqo h MET 150 CO -0.28 -0.20 0.53 1.15 1.06 0.00 0.00 176.91 179.16 3gqo h THR 151 N -0.32 1.00 0.36 2.22 2.02 -0.61 0.49 112.91 118.07 3gqo h THR 151 Ca 0.10 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 3gqo h THR 151 Cb 0.46 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3gqo h THR 151 CO -0.30 0.15 -0.17 -0.07 0.37 0.00 0.00 175.52 175.50 3gqo h LEU 152 N 0.84 -0.41 -0.57 2.58 3.38 0.14 -1.14 115.31 120.13 3gqo h LEU 152 Ca 0.36 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.29 3gqo h LEU 152 Cb 0.32 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.09 3gqo h LEU 152 CO -0.14 0.01 0.11 0.11 0.09 0.00 0.00 178.44 178.63 3gqo h LYS 153 N -0.92 0.24 -0.46 1.13 1.57 -0.57 0.27 116.57 117.82 3gqo h LYS 153 Ca -0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3gqo h LYS 153 Cb 0.53 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 3gqo h LYS 153 CO 0.08 0.16 0.30 0.93 -0.57 0.00 0.00 179.45 180.35 3gqo h GLU 154 N 0.25 0.62 0.00 3.15 5.08 -0.95 -1.86 114.58 120.86 3gqo h GLU 154 Ca 0.30 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.53 3gqo h GLU 154 Cb 0.44 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3gqo h GLU 154 CO -0.39 0.43 -0.37 0.00 -1.00 0.00 0.00 179.01 177.68 3gqo h ALA 155 N 1.15 1.04 0.03 3.43 0.00 -0.05 -2.77 119.26 122.10 3gqo h ALA 155 Ca 0.17 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 3gqo h ALA 155 Cb -0.04 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.70 3gqo h ALA 155 CO -0.03 0.47 -0.47 0.28 0.00 0.00 0.00 179.25 179.49 3gqo h VAL 156 N 0.00 1.52 0.00 0.00 2.07 -0.31 -3.27 116.25 116.26 3gqo h VAL 156 Ca -0.00 -2.14 -0.03 0.00 0.82 0.00 0.00 66.70 65.34 3gqo h VAL 156 Cb 0.85 2.84 -0.00 0.00 -1.52 0.00 0.00 31.29 33.46 3gqo h VAL 156 CO 0.05 0.60 -0.15 0.00 0.02 0.00 0.00 177.57 178.10 3gqo h ALA 157 N 0.22 1.43 -0.45 1.67 0.00 -1.36 -0.94 119.26 119.84 3gqo h ALA 157 Ca -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3gqo h ALA 157 Cb 1.24 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3gqo h ALA 157 CO 0.09 0.18 0.28 -0.09 0.00 0.00 0.00 179.25 179.72 3gqo h ARG 158 N 0.00 0.60 0.00 0.00 2.43 -1.57 -3.52 114.38 112.32 3gqo h ARG 158 Ca -0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3gqo h ARG 158 Cb 0.33 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3gqo h ARG 158 CO 0.02 0.42 0.00 2.89 -1.51 0.00 0.00 179.97 181.79