#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bqa s PHE 44 N 0.00 3.53 0.22 7.33 0.40 -1.26 -5.02 117.98 123.19 3bqa s PHE 44 Ca 0.00 1.01 0.05 0.00 -0.60 0.00 0.00 56.93 57.39 3bqa s PHE 44 Cb 0.00 -2.34 -0.05 0.00 0.51 0.00 0.00 43.02 41.14 3bqa s PHE 44 CO 0.00 0.36 -0.05 0.16 0.70 0.00 0.00 175.22 176.39 3bqa s ASP 45 N -1.96 2.11 0.31 1.36 3.84 -1.26 -5.04 116.67 116.03 3bqa s ASP 45 Ca 0.42 -1.15 0.03 0.00 -0.00 0.00 0.00 52.55 51.85 3bqa s ASP 45 Cb -0.13 -0.05 0.61 0.00 -1.38 0.00 0.00 42.92 41.97 3bqa s ASP 45 CO 0.20 -0.40 1.87 0.11 -0.00 0.00 0.00 175.17 176.95 3bqa h LYS 46 N 2.50 0.90 -0.58 2.11 1.57 -1.99 -1.54 116.57 119.54 3bqa h LYS 46 Ca -0.38 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3bqa h LYS 46 Cb 1.22 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.30 3bqa h LYS 46 CO 0.65 0.60 0.37 1.15 -0.57 0.00 0.00 179.45 181.64 3bqa h THR 47 N 0.93 1.16 -0.56 -0.16 2.02 -2.00 -1.39 112.91 112.92 3bqa h THR 47 Ca 0.45 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 67.18 3bqa h THR 47 Cb 0.45 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3bqa h THR 47 CO -0.21 0.17 -0.07 0.74 0.37 0.00 0.00 175.52 176.52 3bqa h THR 48 N 0.79 1.27 -0.59 3.16 2.02 -1.72 -1.32 112.91 116.51 3bqa h THR 48 Ca 0.21 -1.22 0.06 0.00 0.77 0.00 0.00 66.41 66.23 3bqa h THR 48 Cb -0.05 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 67.21 3bqa h THR 48 CO -0.04 0.43 0.30 -0.26 0.37 0.00 0.00 175.52 176.32 3bqa h PHE 49 N 0.93 0.54 -0.32 3.16 0.05 -0.90 -0.86 116.94 119.54 3bqa h PHE 49 Ca 0.15 0.02 -0.13 0.00 3.82 0.00 0.00 57.97 61.83 3bqa h PHE 49 Cb 0.63 -0.16 -0.00 0.00 2.00 0.00 0.00 35.95 38.41 3bqa h PHE 49 CO 0.04 0.24 -0.32 0.00 -0.18 0.00 0.00 178.31 178.09 3bqa h ARG 50 N 0.56 0.78 0.07 1.51 3.08 -1.00 -1.25 114.38 118.13 3bqa h ARG 50 Ca 0.27 -0.41 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 3bqa h ARG 50 Cb 0.20 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3bqa h ARG 50 CO -0.20 1.04 -0.04 1.25 -1.07 0.00 0.00 179.97 180.96 3bqa h LEU 51 N 0.55 -0.08 -0.32 3.04 5.85 -0.97 0.33 115.31 123.71 3bqa h LEU 51 Ca 0.05 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3bqa h LEU 51 Cb 0.90 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 3bqa h LEU 51 CO 0.08 -0.03 0.14 -0.07 -0.34 0.00 0.00 178.44 178.22 3bqa h LEU 52 N -0.13 0.44 -0.78 2.25 3.38 -1.17 -0.85 115.31 118.45 3bqa h LEU 52 Ca -0.01 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 3bqa h LEU 52 Cb 0.10 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3bqa h LEU 52 CO 0.02 0.46 -0.06 -0.09 0.09 0.00 0.00 178.44 178.86 3bqa h ARG 53 N 0.38 0.86 -0.48 1.13 2.43 -1.15 -1.57 114.38 115.98 3bqa h ARG 53 Ca 0.11 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 58.97 3bqa h ARG 53 Cb 0.16 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3bqa h ARG 53 CO -0.01 0.90 0.16 0.78 -1.51 0.00 0.00 179.97 180.29 3bqa h GLY 54 N 0.98 0.80 1.23 2.80 0.00 -0.03 -1.14 103.07 107.71 3bqa h GLY 54 Ca 0.14 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 3bqa h GLY 54 CO 0.03 0.44 -0.01 0.83 0.00 0.00 0.00 176.54 177.83 3bqa h GLU 55 N 0.65 0.92 -0.47 4.80 4.39 -1.07 -0.43 114.58 123.37 3bqa h GLU 55 Ca 0.16 -0.28 0.01 0.00 0.34 0.00 0.00 59.36 59.59 3bqa h GLU 55 Cb 0.26 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 3bqa h GLU 55 CO -0.01 0.92 0.30 1.03 -1.16 0.00 0.00 179.01 180.09 3bqa h SER 56 N 0.85 0.50 -0.12 1.42 0.87 -0.94 -1.57 113.55 114.56 3bqa h SER 56 Ca 0.16 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.60 3bqa h SER 56 Cb 0.52 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 3bqa h SER 56 CO 0.03 0.36 -0.27 0.78 -0.53 0.00 0.00 176.83 177.20 3bqa h ASN 57 N 0.60 0.59 -0.02 6.23 2.35 -0.92 -1.30 115.58 123.12 3bqa h ASN 57 Ca 0.18 -0.21 0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3bqa h ASN 57 Cb -0.03 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 3bqa h ASN 57 CO -0.06 0.84 -0.04 0.25 -1.65 0.00 0.00 177.43 176.77 3bqa h LEU 58 N 0.51 -0.13 -0.73 1.61 5.85 -0.51 -1.02 115.31 120.89 3bqa h LEU 58 Ca 0.07 0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.68 3bqa h LEU 58 Cb 0.73 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3bqa h LEU 58 CO 0.06 -0.06 -0.63 -0.26 -0.34 0.00 0.00 178.44 177.20 3bqa h PHE 59 N -0.07 0.00 -0.62 1.25 -1.00 -1.20 -0.64 116.94 114.66 3bqa h PHE 59 Ca 0.03 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.72 3bqa h PHE 59 Cb 0.10 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 3bqa h PHE 59 CO -0.13 0.63 0.04 -0.92 -1.61 0.00 0.00 178.31 176.32 3bqa h TYR 60 N 0.00 1.15 -0.22 -0.55 3.20 -1.04 -0.44 116.97 119.07 3bqa h TYR 60 Ca -0.01 -0.18 -0.14 0.00 3.14 0.00 0.00 58.73 61.54 3bqa h TYR 60 Cb 1.12 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 3bqa h TYR 60 CO 0.00 1.00 -0.46 1.15 -1.64 0.00 0.00 178.16 178.21 3bqa h THR 61 N 0.98 1.31 -0.25 1.81 2.02 -0.92 -3.15 112.91 114.71 3bqa h THR 61 Ca 0.18 -1.65 -0.18 0.00 0.77 0.00 0.00 66.41 65.53 3bqa h THR 61 Cb 0.51 1.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.55 3bqa h THR 61 CO 0.02 0.52 -0.56 -0.07 0.37 0.00 0.00 175.52 175.80 3bqa h LEU 62 N 0.45 0.85-10.11 2.58 3.38 -0.91 -3.45 115.31 108.10 3bqa h LEU 62 Ca 0.03 -0.46 -0.53 0.00 0.09 0.00 0.00 57.88 57.00 3bqa h LEU 62 Cb 0.97 -0.25 0.13 0.00 0.09 0.00 0.00 40.66 41.60 3bqa h LEU 62 CO 0.09 1.24 0.47 0.00 0.09 0.00 0.00 178.44 180.32 3bqa s ALA 63 N -4.06 2.45 -0.04 1.53 0.00 -0.19 -4.64 121.76 116.82 3bqa s ALA 63 Ca -0.09 1.01 -0.08 0.00 0.00 0.00 0.00 51.96 52.80 3bqa s ALA 63 Cb 0.10 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.77 3bqa s ALA 63 CO 0.88 -1.34 0.19 -1.59 0.00 0.00 0.00 175.76 173.90 3bqa s LYS 64 N -3.44 0.39 -0.20 0.00 -2.85 -0.62 -4.97 119.74 108.05 3bqa s LYS 64 Ca 0.78 -0.05 -0.06 0.00 -1.00 0.00 0.00 55.97 55.64 3bqa s LYS 64 Cb -0.31 0.17 -0.03 0.00 -2.06 0.00 0.00 37.83 35.60 3bqa s LYS 64 CO 0.36 -0.08 0.02 -0.46 0.10 0.00 0.00 175.35 175.28 3bqa s TRP 65 N -0.67 3.08 -0.16 1.78 -0.11 -1.26 -0.26 118.94 121.34 3bqa s TRP 65 Ca -0.08 -0.32 -0.12 0.00 1.22 0.00 0.00 56.10 56.80 3bqa s TRP 65 Cb -0.04 -2.08 0.05 0.00 -1.50 0.00 0.00 33.47 29.89 3bqa s TRP 65 CO 0.01 -0.15 0.40 -1.83 -4.62 0.00 0.00 176.95 170.77 3bqa s GLU 66 N 0.86 0.44 -1.41 5.86 -1.05 -0.53 -4.91 118.70 117.95 3bqa s GLU 66 Ca 0.01 0.63 -0.04 0.00 -0.15 0.00 0.00 54.97 55.42 3bqa s GLU 66 Cb -0.14 0.14 0.03 0.00 -0.44 0.00 0.00 34.13 33.72 3bqa s GLU 66 CO 0.02 -0.09 0.69 0.09 0.95 0.00 0.00 175.26 176.92 3bqa n ASN 67 N 3.34 -1.86 -2.08 0.83 3.02 -1.26 -2.00 115.26 115.25 3bqa n ASN 67 Ca -0.17 -0.87 -0.20 0.00 -0.03 0.00 0.00 54.58 53.32 3bqa n ASN 67 Cb 0.56 -3.68 -0.02 0.00 -0.61 0.00 0.00 39.78 36.03 3bqa n ASN 67 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3bqa n ASN 68 N -2.97 -5.56 -3.82 6.41 5.15 -1.26 -4.99 115.26 108.22 3bqa n ASN 68 Ca -0.21 0.09 -0.12 0.00 -0.60 0.00 0.00 54.58 53.74 3bqa n ASN 68 Cb 0.64 -4.63 -0.10 0.00 -0.53 0.00 0.00 39.78 35.15 3bqa n ASN 68 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3bqa s LYS 69 N -4.70 0.45 0.10 1.20 1.02 -0.85 -5.14 119.74 111.82 3bqa s LYS 69 Ca 0.00 -0.09 -0.29 0.00 0.02 0.00 0.00 55.97 55.62 3bqa s LYS 69 Cb 0.00 0.20 -0.06 0.00 -0.52 0.00 0.00 37.83 37.45 3bqa s LYS 69 CO 0.00 -0.10 0.91 -1.17 -0.92 0.00 0.00 175.35 174.07 3bqa s LEU 70 N -0.83 4.50 -0.13 3.17 2.96 -1.26 -1.45 118.68 125.63 3bqa s LEU 70 Ca -0.09 1.71 0.01 0.00 -0.22 0.00 0.00 54.13 55.54 3bqa s LEU 70 Cb -0.05 -3.49 0.02 0.00 0.50 0.00 0.00 46.19 43.17 3bqa s LEU 70 CO 0.02 -0.03 -0.15 -1.00 -1.32 0.00 0.00 176.35 173.87 3bqa s HIS 71 N -0.10 2.13 -0.69 5.38 3.76 0.64 -4.98 115.29 121.43 3bqa s HIS 71 Ca 0.44 -1.13 0.05 0.00 -0.15 0.00 0.00 55.06 54.27 3bqa s HIS 71 Cb -0.23 -1.55 0.17 0.00 1.11 0.00 0.00 32.58 32.08 3bqa s HIS 71 CO 0.28 -0.60 0.48 0.08 -0.85 0.00 0.00 174.74 174.12 3bqa s VAL 72 N 1.28 2.88 -0.76 -0.90 1.01 -1.26 -1.59 120.40 121.06 3bqa s VAL 72 Ca 0.00 -4.21 -0.26 0.00 0.00 0.00 0.00 61.98 57.52 3bqa s VAL 72 Cb -0.14 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 3bqa s VAL 72 CO -0.07 -0.99 1.71 -1.61 0.00 0.00 0.00 175.10 174.14 3bqa s GLU 73 N -1.37 2.84 -0.41 2.72 2.02 -1.26 -4.94 118.70 118.30 3bqa s GLU 73 Ca 0.24 0.00 -0.09 0.00 0.02 0.00 0.00 54.97 55.15 3bqa s GLU 73 Cb -0.06 -4.62 0.07 0.00 0.10 0.00 0.00 34.13 29.62 3bqa s GLU 73 CO -0.15 -2.70 0.25 -1.17 0.02 0.00 0.00 175.26 171.50 3bqa s LEU 74 N 8.13 5.11 0.62 1.80 0.20 -1.26 -5.04 118.68 128.23 3bqa s LEU 74 Ca 0.59 -1.48 -0.16 0.00 0.69 0.00 0.00 54.13 53.77 3bqa s LEU 74 Cb -0.09 -1.98 -0.02 0.00 -0.43 0.00 0.00 46.19 43.67 3bqa s LEU 74 CO 0.11 -0.52 1.11 -2.16 -0.29 0.00 0.00 176.35 174.59 3bqa s PRO 75 N 1.43 3.00 0.24 0.98 0.04 -1.26 -4.87 135.00 134.56 3bqa s PRO 75 Ca 0.03 1.43 -0.06 0.00 0.04 0.00 0.00 61.00 62.44 3bqa s PRO 75 Cb -0.23 -1.97 0.32 0.00 0.04 0.00 0.00 34.50 32.66 3bqa s PRO 75 CO 0.02 -1.09 1.86 1.05 0.04 0.00 0.00 177.00 178.87 3bqa h GLU 76 N 0.39 0.96 0.00 4.56 9.09 -1.99 -2.37 114.58 125.21 3bqa h GLU 76 Ca -0.48 -0.06 -0.02 0.00 0.05 0.00 0.00 59.36 58.86 3bqa h GLU 76 Cb 1.25 -0.22 -0.00 0.00 -1.65 0.00 0.00 28.75 28.13 3bqa h GLU 76 CO 0.55 0.63 -0.08 -2.95 0.05 0.00 0.00 179.01 177.21 3bqa h ASN 77 N 0.98 0.00 0.54 3.06 -1.07 -1.99 -1.20 115.58 115.90 3bqa h ASN 77 Ca 0.37 0.00 -0.29 0.00 0.07 0.00 0.00 56.30 56.45 3bqa h ASN 77 Cb 0.14 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.35 3bqa h ASN 77 CO -0.16 0.08 -1.59 -0.29 0.07 0.00 0.00 177.43 175.54 3bqa h ILE 78 N 0.00 1.02 -0.97 6.14 2.10 -1.87 -2.89 117.51 121.04 3bqa h ILE 78 Ca -0.00 -2.81 0.02 0.00 1.08 0.00 0.00 64.86 63.15 3bqa h ILE 78 Cb 0.31 2.55 -0.05 0.00 -1.09 0.00 0.00 36.82 38.53 3bqa h ILE 78 CO 0.01 0.65 0.64 -0.78 -1.08 0.00 0.00 178.15 177.59 3bqa h ASP 79 N 0.02 1.10 0.33 2.19 -0.00 -0.75 -2.56 116.42 116.75 3bqa h ASP 79 Ca -0.24 -0.02 0.00 0.00 -0.00 0.00 0.00 57.03 56.76 3bqa h ASP 79 Cb 1.97 -0.27 0.00 0.00 -0.00 0.00 0.00 39.33 41.03 3bqa h ASP 79 CO 0.10 0.79 -0.37 1.17 -0.00 0.00 0.00 179.24 180.93 3bqa n LYS 80 N -4.42 0.50 -0.19 0.28 4.81 -0.64 -4.33 118.16 114.18 3bqa n LYS 80 Ca 0.12 -0.30 -0.00 0.00 -0.87 0.00 0.00 58.31 57.26 3bqa n LYS 80 Cb 0.03 -1.49 0.10 0.00 0.02 0.00 0.00 35.03 33.68 3bqa n LYS 80 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 3bqa h GLN 81 N 0.73 0.23 -6.81 1.64 4.15 -1.22 -3.42 115.11 110.41 3bqa h GLN 81 Ca 0.00 -0.01 -0.69 0.00 0.77 0.00 0.00 58.65 58.72 3bqa h GLN 81 Cb 0.51 -0.05 -0.22 0.00 0.21 0.00 0.00 27.48 27.92 3bqa h GLN 81 CO 0.00 0.15 -0.85 0.45 -1.93 0.00 0.00 178.83 176.65 3bqa s SER 82 N -5.29 3.43 0.26 -0.69 0.15 -1.26 -5.04 113.70 105.26 3bqa s SER 82 Ca -0.13 -0.65 0.03 0.00 0.70 0.00 0.00 55.95 55.90 3bqa s SER 82 Cb 0.17 -0.33 0.35 0.00 -1.71 0.00 0.00 66.02 64.51 3bqa s SER 82 CO 0.74 0.21 1.66 1.55 1.20 0.00 0.00 173.24 178.59 3bqa h PRO 83 N 4.13 0.41 -6.38 5.44 0.13 -1.91 -3.46 132.00 130.36 3bqa h PRO 83 Ca -0.49 -0.19 -0.54 0.00 -0.87 0.00 0.00 66.00 63.91 3bqa h PRO 83 Cb 1.16 -0.01 0.23 0.00 0.13 0.00 0.00 31.00 32.52 3bqa h PRO 83 CO 0.42 0.73 -1.28 0.25 -0.23 0.00 0.00 178.00 177.89 3bqa n THR 84 N -4.05 0.00 -4.11 1.56 -2.24 -1.26 -4.44 114.28 99.74 3bqa n THR 84 Ca -0.01 -0.34 -0.26 0.00 -2.27 0.00 0.00 64.05 61.18 3bqa n THR 84 Cb 0.48 -0.30 -0.17 0.00 -2.10 0.00 0.00 70.33 68.24 3bqa n THR 84 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3bqa s MET 85 N -2.80 1.50 -0.12 -0.78 1.75 -0.28 -4.91 119.30 113.66 3bqa s MET 85 Ca 0.48 -0.28 -0.04 0.00 -1.25 0.00 0.00 55.69 54.60 3bqa s MET 85 Cb -0.18 -1.46 -0.04 0.00 2.84 0.00 0.00 34.83 35.99 3bqa s MET 85 CO 0.75 -0.17 0.03 0.99 -0.65 0.00 0.00 175.02 175.97 3bqa s THR 86 N 1.37 4.57 -0.03 10.11 2.01 -1.26 -0.59 115.64 131.82 3bqa s THR 86 Ca -0.02 -0.14 0.06 0.00 0.31 0.00 0.00 61.69 61.90 3bqa s THR 86 Cb -0.14 -2.97 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 3bqa s THR 86 CO -0.04 0.56 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.50 3bqa s LEU 87 N -0.50 2.01 -0.11 4.42 1.43 0.59 -0.54 118.68 125.98 3bqa s LEU 87 Ca 0.09 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 3bqa s LEU 87 Cb -0.12 -1.03 0.01 0.00 0.03 0.00 0.00 46.19 45.08 3bqa s LEU 87 CO 0.02 0.22 -0.16 -0.63 0.23 0.00 0.00 176.35 176.03 3bqa s ILE 88 N -0.31 1.54 0.21 -0.59 1.01 0.60 -0.41 121.20 123.26 3bqa s ILE 88 Ca 0.04 -0.68 0.11 0.00 0.00 0.00 0.00 60.65 60.12 3bqa s ILE 88 Cb -0.09 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 3bqa s ILE 88 CO 0.00 0.45 -0.18 -0.31 0.00 0.00 0.00 174.94 174.90 3bqa s TYR 89 N 0.92 2.41 0.59 3.97 1.51 0.22 0.04 117.35 127.00 3bqa s TYR 89 Ca -0.08 -0.31 -0.06 0.00 -1.01 0.00 0.00 57.07 55.61 3bqa s TYR 89 Cb -0.15 -1.16 0.13 0.00 -0.11 0.00 0.00 41.96 40.67 3bqa s TYR 89 CO -0.01 0.54 0.80 -0.40 -1.11 0.00 0.00 175.55 175.38 3bqa n ASP 90 N 0.01 0.45 0.17 2.29 5.68 -0.18 -1.21 116.55 123.76 3bqa n ASP 90 Ca -0.11 -1.53 0.13 0.00 -0.50 0.00 0.00 54.79 52.78 3bqa n ASP 90 Cb 0.57 -0.58 0.60 0.00 -1.14 0.00 0.00 41.12 40.57 3bqa n ASP 90 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3bqa h GLU 91 N 0.00 0.00 -0.60 0.11 4.11 -1.90 -1.53 114.58 114.77 3bqa h GLU 91 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 3bqa h GLU 91 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3bqa h GLU 91 CO 0.22 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.39 3bqa n ASN 92 N -2.37 3.60 -0.00 3.06 3.02 -1.26 -4.94 115.26 116.38 3bqa n ASN 92 Ca -0.00 -1.99 -0.00 0.00 -0.03 0.00 0.00 54.58 52.56 3bqa n ASN 92 Cb 0.13 -0.39 -0.00 0.00 -0.61 0.00 0.00 39.78 38.91 3bqa n ASN 92 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bqa n GLY 93 N 1.57 0.45 3.80 7.41 0.00 -0.58 -5.03 105.19 112.82 3bqa n GLY 93 Ca 0.22 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 3bqa n GLY 93 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bqa s GLN 94 N -0.83 4.03 0.14 1.61 -1.52 -1.26 -4.83 119.66 116.99 3bqa s GLN 94 Ca 0.00 0.34 -0.31 0.00 -1.95 0.00 0.00 55.36 53.44 3bqa s GLN 94 Cb 0.00 -3.30 -0.09 0.00 -0.22 0.00 0.00 33.01 29.40 3bqa s GLN 94 CO 0.00 0.51 1.52 -1.17 -0.25 0.00 0.00 175.29 175.90 3bqa s LEU 95 N -0.48 4.37 -0.14 2.90 2.96 -1.26 -1.01 118.68 126.01 3bqa s LEU 95 Ca 0.22 2.51 0.11 0.00 -0.22 0.00 0.00 54.13 56.76 3bqa s LEU 95 Cb -0.15 -3.59 -0.17 0.00 0.50 0.00 0.00 46.19 42.78 3bqa s LEU 95 CO 0.11 -0.78 0.03 0.18 -1.32 0.00 0.00 176.35 174.57 3bqa n LEU 96 N 4.14 0.28 -3.63 -0.68 4.77 0.11 -4.89 117.00 117.09 3bqa n LEU 96 Ca 0.13 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 3bqa n LEU 96 Cb 0.40 0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.67 3bqa n LEU 96 CO 0.61 0.39 0.55 0.86 -1.33 0.00 0.00 177.39 178.46 3bqa s TRP 97 N -2.34 -0.67 -0.06 -1.77 -0.00 -0.87 -5.01 118.94 108.22 3bqa s TRP 97 Ca -0.09 1.62 0.03 0.00 -0.00 0.00 0.00 56.10 57.67 3bqa s TRP 97 Cb 0.04 0.32 0.01 0.00 -0.00 0.00 0.00 33.47 33.84 3bqa s TRP 97 CO 0.56 -0.33 -0.14 0.00 -0.00 0.00 0.00 176.95 177.05 3bqa s ALA 98 N 0.39 1.35 0.41 5.86 0.00 -1.26 -0.29 121.76 128.22 3bqa s ALA 98 Ca 0.01 -0.51 0.09 0.00 0.00 0.00 0.00 51.96 51.54 3bqa s ALA 98 Cb -0.05 -0.54 0.85 0.00 0.00 0.00 0.00 23.12 23.38 3bqa s ALA 98 CO -0.03 0.17 2.00 0.37 0.00 0.00 0.00 175.76 178.27 3bqa h GLN 99 N 6.70 0.38 -2.94 0.00 4.15 -1.20 -3.43 115.11 118.77 3bqa h GLN 99 Ca -0.31 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 58.98 3bqa h GLN 99 Cb 1.19 -0.07 -0.18 0.00 0.21 0.00 0.00 27.48 28.62 3bqa h GLN 99 CO 0.48 0.35 -0.14 0.50 -1.93 0.00 0.00 178.83 178.09 3bqa s ARG 100 N -5.14 0.85 -0.36 1.69 3.52 -1.26 -5.00 118.95 113.25 3bqa s ARG 100 Ca -0.07 -0.25 -0.10 0.00 -0.13 0.00 0.00 55.73 55.18 3bqa s ARG 100 Cb 0.16 0.38 0.02 0.00 -1.56 0.00 0.00 34.95 33.96 3bqa s ARG 100 CO 0.73 -0.27 0.19 0.34 -0.81 0.00 0.00 175.30 175.48 3bqa s ASP 101 N -1.71 5.67 -0.37 -2.12 2.15 -1.26 -5.01 116.67 114.02 3bqa s ASP 101 Ca -0.08 -0.95 0.01 0.00 0.43 0.00 0.00 52.55 51.95 3bqa s ASP 101 Cb -0.02 -2.01 0.12 0.00 -0.30 0.00 0.00 42.92 40.71 3bqa s ASP 101 CO 0.01 -0.36 0.16 -0.69 -0.17 0.00 0.00 175.17 174.13 3bqa s VAL 102 N 1.55 1.16 0.29 1.11 1.01 -1.26 -5.04 120.40 119.22 3bqa s VAL 102 Ca 0.02 -1.98 0.04 0.00 0.00 0.00 0.00 61.98 60.06 3bqa s VAL 102 Cb -0.19 -1.85 0.28 0.00 0.00 0.00 0.00 36.38 34.63 3bqa s VAL 102 CO 0.06 -0.78 1.73 -0.65 0.00 0.00 0.00 175.10 175.46 3bqa h PRO 103 N 7.41 0.54 -0.72 2.72 0.11 -1.98 -2.09 132.00 138.00 3bqa h PRO 103 Ca -0.07 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.94 3bqa h PRO 103 Cb 0.97 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.93 3bqa h PRO 103 CO 0.47 0.36 0.17 0.11 -0.21 0.00 0.00 178.00 178.90 3bqa h TRP 104 N 0.56 1.21 -0.35 0.65 5.08 -1.98 -2.49 115.95 118.62 3bqa h TRP 104 Ca 0.56 -0.14 -0.10 0.00 1.08 0.00 0.00 58.89 60.28 3bqa h TRP 104 Cb 0.97 -0.34 -0.01 0.00 -3.00 0.00 0.00 29.16 26.78 3bqa h TRP 104 CO -0.07 0.98 -0.17 1.25 -1.28 0.00 0.00 178.44 179.14 3bqa h LEU 105 N 1.09 0.77 -1.37 0.11 7.12 -1.83 -2.98 115.31 118.22 3bqa h LEU 105 Ca 0.22 -0.41 0.07 0.00 0.13 0.00 0.00 57.88 57.90 3bqa h LEU 105 Cb 0.38 -0.21 -0.05 0.00 -0.53 0.00 0.00 40.66 40.25 3bqa h LEU 105 CO 0.00 1.00 0.49 0.24 -0.13 0.00 0.00 178.44 180.05 3bqa h MET 106 N 0.53 0.73 0.00 1.25 2.86 -1.16 0.40 114.93 119.52 3bqa h MET 106 Ca 0.08 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 3bqa h MET 106 Cb 0.72 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 3bqa h MET 106 CO 0.05 0.48 -0.14 0.87 1.06 0.00 0.00 176.91 179.23 3bqa h LYS 107 N 0.75 0.00 0.00 1.72 1.57 -1.30 -2.98 116.57 116.33 3bqa h LYS 107 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3bqa h LYS 107 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3bqa h LYS 107 CO -0.11 0.14 -0.50 -1.33 -0.57 0.00 0.00 179.45 177.08 3bqa n MET 108 N -3.41 0.17 -2.75 3.15 2.81 0.11 -4.71 117.12 112.50 3bqa n MET 108 Ca -0.01 0.06 -0.42 0.00 -1.81 0.00 0.00 57.70 55.52 3bqa n MET 108 Cb 0.33 -1.62 -0.04 0.00 -0.71 0.00 0.00 33.22 31.19 3bqa n MET 108 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3bqa s ILE 109 N -3.10 4.16 0.25 2.02 1.01 -1.08 -5.00 121.20 119.46 3bqa s ILE 109 Ca 0.09 0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.58 3bqa s ILE 109 Cb 0.15 -4.71 -0.10 0.00 0.01 0.00 0.00 42.46 37.81 3bqa s ILE 109 CO 0.69 -1.46 1.39 -1.10 0.00 0.00 0.00 174.94 174.46 3bqa s GLN 110 N 4.55 4.31 0.27 2.79 -0.21 -1.26 -4.93 119.66 125.17 3bqa s GLN 110 Ca 0.30 2.23 -0.00 0.00 0.02 0.00 0.00 55.36 57.90 3bqa s GLN 110 Cb -0.12 -3.13 0.57 0.00 1.00 0.00 0.00 33.01 31.33 3bqa s GLN 110 CO 0.15 -0.34 1.75 -1.35 -2.12 0.00 0.00 175.29 173.38 3bqa h PRO 111 N 4.88 0.58 0.00 2.91 0.11 -1.96 -0.50 132.00 138.01 3bqa h PRO 111 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3bqa h PRO 111 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3bqa h PRO 111 CO 0.76 0.38 0.00 -0.40 -0.21 0.00 0.00 178.00 178.53 3bqa n ASP 112 N -4.89 0.00 0.04 -2.05 5.68 -1.26 -1.68 116.55 112.39 3bqa n ASP 112 Ca 0.18 0.03 0.12 0.00 -0.50 0.00 0.00 54.79 54.62 3bqa n ASP 112 Cb 0.47 -0.25 0.26 0.00 -1.14 0.00 0.00 41.12 40.46 3bqa n ASP 112 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3bqa n TRP 113 N -1.25 0.36 1.38 2.11 8.01 -0.20 -4.03 117.44 123.82 3bqa n TRP 113 Ca 0.07 0.10 0.12 0.00 -1.31 0.00 0.00 57.50 56.48 3bqa n TRP 113 Cb 0.10 -0.54 0.46 0.00 -2.01 0.00 0.00 31.31 29.32 3bqa n TRP 113 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 3bqa n LEU 114 N -1.87 1.52 0.01 -0.99 4.77 -0.68 -4.25 117.00 115.52 3bqa n LEU 114 Ca 0.05 -0.58 -0.05 0.00 -0.03 0.00 0.00 56.01 55.39 3bqa n LEU 114 Cb 0.40 -0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.32 3bqa n LEU 114 CO 0.34 0.29 -0.31 0.11 -1.33 0.00 0.00 177.39 176.49 3bqa h LYS 115 N 2.18 0.00 -3.84 3.23 1.57 -1.75 -3.46 116.57 114.50 3bqa h LYS 115 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 3bqa h LYS 115 Cb 0.47 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.65 3bqa h LYS 115 CO 0.00 0.51 -0.33 0.45 -0.57 0.00 0.00 179.45 179.51 3bqa s SER 116 N -6.11 0.06 0.39 0.86 0.15 -1.26 -4.98 113.70 102.82 3bqa s SER 116 Ca -0.03 -0.77 -0.26 0.00 0.70 0.00 0.00 55.95 55.59 3bqa s SER 116 Cb 0.08 0.40 -0.11 0.00 -1.71 0.00 0.00 66.02 64.69 3bqa s SER 116 CO 0.82 -0.83 1.25 0.59 1.20 0.00 0.00 173.24 176.27 3bqa n ASN 117 N -0.15 2.47 -1.58 5.45 3.02 -1.26 -4.81 115.26 118.40 3bqa n ASN 117 Ca -0.11 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 3bqa n ASN 117 Cb 0.63 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 3bqa n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bqa n GLY 118 N 0.84 0.75 3.02 7.41 0.00 -0.65 -4.99 105.19 111.58 3bqa n GLY 118 Ca 0.06 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 3bqa n GLY 118 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bqa s PHE 119 N -3.63 -0.04 0.04 1.61 0.40 -1.26 -1.02 117.98 114.08 3bqa s PHE 119 Ca 0.06 0.11 -0.14 0.00 -0.60 0.00 0.00 56.93 56.36 3bqa s PHE 119 Cb -0.00 -0.00 0.02 0.00 0.51 0.00 0.00 43.02 43.54 3bqa s PHE 119 CO 0.00 -0.14 0.31 -1.01 0.70 0.00 0.00 175.22 175.09 3bqa s HIS 120 N -0.48 -0.12 -0.05 0.36 3.76 0.26 -5.01 115.29 114.02 3bqa s HIS 120 Ca -0.06 -0.01 0.05 0.00 -0.15 0.00 0.00 55.06 54.90 3bqa s HIS 120 Cb -0.04 0.11 -0.01 0.00 1.11 0.00 0.00 32.58 33.75 3bqa s HIS 120 CO 0.00 -0.51 -0.21 -1.21 -0.85 0.00 0.00 174.74 171.96 3bqa s GLU 121 N -2.57 2.15 -0.15 1.40 2.02 -1.26 0.04 118.70 120.33 3bqa s GLU 121 Ca -0.05 -0.77 0.02 0.00 0.02 0.00 0.00 54.97 54.19 3bqa s GLU 121 Cb -0.01 -1.86 0.01 0.00 0.10 0.00 0.00 34.13 32.37 3bqa s GLU 121 CO -0.03 0.34 -0.22 0.42 0.02 0.00 0.00 175.26 175.79 3bqa s ILE 122 N -0.12 2.06 0.15 -1.63 1.01 -0.63 -4.95 121.20 117.10 3bqa s ILE 122 Ca -0.02 -0.97 -0.13 0.00 0.00 0.00 0.00 60.65 59.52 3bqa s ILE 122 Cb -0.12 -1.83 -0.07 0.00 0.01 0.00 0.00 42.46 40.45 3bqa s ILE 122 CO 0.03 0.55 0.54 -1.61 0.00 0.00 0.00 174.94 174.44 3bqa s GLU 123 N 0.92 3.94 0.10 2.79 2.02 -1.26 -0.86 118.70 126.35 3bqa s GLU 123 Ca -0.04 0.43 -0.20 0.00 0.02 0.00 0.00 54.97 55.18 3bqa s GLU 123 Cb -0.15 -2.90 0.05 0.00 0.10 0.00 0.00 34.13 31.23 3bqa s GLU 123 CO -0.04 0.46 0.48 0.00 0.02 0.00 0.00 175.26 176.18 3bqa s ALA 124 N -1.51 -1.20 0.77 5.21 0.00 -0.10 -4.98 121.76 119.96 3bqa s ALA 124 Ca 0.39 0.28 -0.12 0.00 0.00 0.00 0.00 51.96 52.51 3bqa s ALA 124 Cb -0.14 0.62 0.05 0.00 0.00 0.00 0.00 23.12 23.65 3bqa s ALA 124 CO 0.19 -0.62 1.14 0.16 0.00 0.00 0.00 175.76 176.63 3bqa s ASP 125 N -2.50 4.87 0.31 0.00 1.47 -1.26 -0.57 116.67 118.99 3bqa s ASP 125 Ca -0.00 0.96 0.03 0.00 1.18 0.00 0.00 52.55 54.71 3bqa s ASP 125 Cb 0.00 -1.60 0.60 0.00 -0.34 0.00 0.00 42.92 41.58 3bqa s ASP 125 CO -0.09 -1.69 1.88 0.58 0.68 0.00 0.00 175.17 176.53 3bqa h VAL 126 N -0.90 0.98 -0.43 2.11 2.07 -1.95 -2.18 116.25 115.95 3bqa h VAL 126 Ca -0.46 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 3bqa h VAL 126 Cb 1.29 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3bqa h VAL 126 CO 0.65 0.17 0.23 -1.13 0.02 0.00 0.00 177.57 177.50 3bqa h ASN 127 N 0.95 0.54 -0.77 0.57 -0.73 -1.95 -0.64 115.58 113.54 3bqa h ASN 127 Ca 0.43 -0.10 -0.02 0.00 1.87 0.00 0.00 56.30 58.48 3bqa h ASN 127 Cb 0.39 -0.14 -0.04 0.00 0.27 0.00 0.00 38.32 38.80 3bqa h ASN 127 CO -0.19 0.48 0.40 0.44 -0.37 0.00 0.00 177.43 178.19 3bqa h ASP 128 N 0.55 0.99 -0.69 1.15 3.32 -1.81 -1.76 116.42 118.17 3bqa h ASP 128 Ca 0.15 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3bqa h ASP 128 Cb 0.07 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 3bqa h ASP 128 CO -0.02 0.83 0.38 0.74 -1.72 0.00 0.00 179.24 179.44 3bqa h THR 129 N 1.08 1.22 0.00 0.35 2.02 -1.04 -1.45 112.91 115.09 3bqa h THR 129 Ca 0.27 -0.55 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 3bqa h THR 129 Cb 0.08 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 3bqa h THR 129 CO -0.04 0.24 -0.22 0.77 0.37 0.00 0.00 175.52 176.64 3bqa h SER 130 N 0.99 0.00 1.14 4.18 4.64 -0.27 0.13 113.55 124.37 3bqa h SER 130 Ca 0.25 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.46 3bqa h SER 130 Cb 0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 3bqa h SER 130 CO -0.04 0.22 -0.55 -0.07 -0.87 0.00 0.00 176.83 175.53 3bqa h LEU 131 N 0.00 0.00 0.14 5.97 3.38 -0.71 -1.85 115.31 122.25 3bqa h LEU 131 Ca -0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 3bqa h LEU 131 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3bqa h LEU 131 CO 0.03 0.55 -1.68 0.25 0.09 0.00 0.00 178.44 177.68 3bqa h LEU 132 N 0.00 0.46 0.04 1.67 5.85 -0.43 -3.39 115.31 119.51 3bqa h LEU 132 Ca -0.01 -0.70 -0.00 0.00 0.84 0.00 0.00 57.88 58.01 3bqa h LEU 132 Cb 1.27 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3bqa h LEU 132 CO 0.07 1.60 -0.02 -0.07 -0.34 0.00 0.00 178.44 179.68 3bqa h LEU 133 N 0.08 -0.05 -2.98 2.25 3.38 -0.85 -3.46 115.31 113.68 3bqa h LEU 133 Ca -0.30 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 3bqa h LEU 133 Cb 2.05 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.80 3bqa h LEU 133 CO 0.16 0.01 -0.11 -0.24 0.09 0.00 0.00 178.44 178.34 3bqa n SER 134 N -2.40 -0.26 0.00 -0.43 2.88 -0.69 -4.64 113.62 108.08 3bqa n SER 134 Ca -0.01 -0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 3bqa n SER 134 Cb 0.02 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 3bqa n SER 134 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3bqa n GLY 135 N -1.10 -0.22 3.14 0.46 0.00 -1.26 -5.09 105.19 101.11 3bqa n GLY 135 Ca -0.02 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3bqa n GLY 135 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bqa s ASP 136 N -2.84 4.15 0.05 1.61 -0.00 -1.26 -5.04 116.67 113.34 3bqa s ASP 136 Ca 0.00 -1.02 -0.07 0.00 -0.00 0.00 0.00 52.55 51.46 3bqa s ASP 136 Cb 0.00 -1.59 0.01 0.00 -0.00 0.00 0.00 42.92 41.34 3bqa s ASP 136 CO 0.00 -0.13 0.42 1.41 -0.00 0.00 0.00 175.17 176.87 3bqa n HIS 137 N 4.58 -0.08 -0.04 4.23 8.25 -1.26 -2.53 115.22 128.37 3bqa n HIS 137 Ca -0.16 0.34 -0.01 0.00 -0.26 0.00 0.00 57.72 57.63 3bqa n HIS 137 Cb 0.46 -0.55 -0.01 0.00 1.12 0.00 0.00 29.99 31.01 3bqa n HIS 137 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3bqa n SER 138 N -4.36 -0.10 -0.06 0.41 2.88 -1.26 0.17 113.62 111.30 3bqa n SER 138 Ca 0.01 0.51 -0.11 0.00 -1.33 0.00 0.00 58.87 57.95 3bqa n SER 138 Cb 0.08 -0.20 -0.05 0.00 -0.75 0.00 0.00 64.21 63.30 3bqa n SER 138 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3bqa h ILE 139 N 0.00 1.23 -0.84 2.46 5.03 -1.93 -2.75 117.51 120.71 3bqa h ILE 139 Ca 0.01 -0.75 0.19 0.00 -0.12 0.00 0.00 64.86 64.19 3bqa h ILE 139 Cb 0.04 1.36 -0.11 0.00 -3.03 0.00 0.00 36.82 35.07 3bqa h ILE 139 CO -0.09 0.23 0.34 1.56 -0.68 0.00 0.00 178.15 179.52 3bqa h GLN 140 N 0.11 0.40 -0.77 2.37 4.20 -0.15 0.51 115.11 121.77 3bqa h GLN 140 Ca 0.06 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 3bqa h GLN 140 Cb 0.32 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 3bqa h GLN 140 CO 0.00 0.27 0.46 1.96 -0.67 0.00 0.00 178.83 180.85 3bqa h GLN 141 N 0.41 1.05 -0.53 1.46 4.20 0.19 -1.67 115.11 120.22 3bqa h GLN 141 Ca 0.50 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 59.03 3bqa h GLN 141 Cb 0.87 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 3bqa h GLN 141 CO -0.48 0.74 -0.00 1.96 -0.67 0.00 0.00 178.83 180.37 3bqa h GLN 142 N 1.05 0.90 -0.68 1.46 4.20 -0.04 -2.63 115.11 119.37 3bqa h GLN 142 Ca 0.28 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3bqa h GLN 142 Cb -0.04 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 3bqa h GLN 142 CO -0.05 0.89 0.41 1.25 -0.67 0.00 0.00 178.83 180.67 3bqa h LEU 143 N 0.83 0.81 -1.22 1.46 5.85 0.64 -1.52 115.31 122.17 3bqa h LEU 143 Ca 0.15 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 3bqa h LEU 143 Cb 0.50 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3bqa h LEU 143 CO 0.02 0.63 -0.13 1.56 -0.34 0.00 0.00 178.44 180.18 3bqa h GLN 144 N 0.92 0.38 -0.61 1.25 4.20 -1.19 -1.38 115.11 118.68 3bqa h GLN 144 Ca 0.24 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 3bqa h GLN 144 Cb -0.04 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 3bqa h GLN 144 CO -0.05 0.51 0.31 0.93 -0.67 0.00 0.00 178.83 179.86 3bqa h GLU 145 N 0.35 0.86 -0.66 1.46 5.08 -0.97 -0.82 114.58 119.89 3bqa h GLU 145 Ca 0.07 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3bqa h GLU 145 Cb 0.45 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3bqa h GLU 145 CO 0.03 0.68 0.24 0.28 -1.00 0.00 0.00 179.01 179.24 3bqa h VAL 146 N 0.83 1.24 -0.49 3.13 2.07 -0.61 -1.78 116.25 120.63 3bqa h VAL 146 Ca 0.21 -0.80 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 3bqa h VAL 146 Cb 0.09 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3bqa h VAL 146 CO -0.03 0.31 -0.03 -0.09 0.02 0.00 0.00 177.57 177.75 3bqa h ARG 147 N 0.94 0.85 -0.37 1.57 2.43 -0.90 -1.98 114.38 116.92 3bqa h ARG 147 Ca 0.22 -0.25 -0.13 0.00 -0.81 0.00 0.00 59.98 59.01 3bqa h ARG 147 Cb 0.25 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3bqa h ARG 147 CO -0.01 0.87 -0.28 1.96 -1.51 0.00 0.00 179.97 180.99 3bqa h GLN 148 N 0.78 0.79 -0.57 0.20 4.20 -0.92 -3.26 115.11 116.32 3bqa h GLN 148 Ca 0.14 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.51 3bqa h GLN 148 Cb 0.51 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3bqa h GLN 148 CO 0.03 0.97 0.00 0.09 -0.67 0.00 0.00 178.83 179.25 3bqa n ASN 149 N -4.09 3.14 -3.90 1.46 3.02 -0.69 -4.91 115.26 109.28 3bqa n ASN 149 Ca -0.01 -1.99 -0.11 0.00 -0.03 0.00 0.00 54.58 52.44 3bqa n ASN 149 Cb 0.47 -0.38 -0.11 0.00 -0.61 0.00 0.00 39.78 39.14 3bqa n ASN 149 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3bqa s ASN 150 N -1.03 0.07 -0.03 6.41 -0.87 -0.76 -5.04 114.94 113.69 3bqa s ASN 150 Ca 0.39 -0.20 -0.24 0.00 -1.57 0.00 0.00 52.86 51.24 3bqa s ASN 150 Cb 0.21 0.16 -0.18 0.00 -0.02 0.00 0.00 41.25 41.41 3bqa s ASN 150 CO 0.27 -0.24 1.10 0.78 -2.57 0.00 0.00 177.10 176.44 3bqa h ASN 151 N 4.95 -0.13 -0.84 -1.22 2.35 -1.88 -3.42 115.58 115.38 3bqa h ASN 151 Ca -0.29 -0.40 -0.35 0.00 -0.55 0.00 0.00 56.30 54.71 3bqa h ASN 151 Cb 1.20 0.03 -0.25 0.00 0.05 0.00 0.00 38.32 39.35 3bqa h ASN 151 CO 0.42 0.37 -0.76 0.59 -1.65 0.00 0.00 177.43 176.41 3bqa n ASN 152 N -4.92 -1.16 -4.71 5.81 3.02 -1.26 -5.10 115.26 106.94 3bqa n ASN 152 Ca -0.08 -3.32 -0.42 0.00 -0.03 0.00 0.00 54.58 50.72 3bqa n ASN 152 Cb 0.27 0.84 -0.00 0.00 -0.61 0.00 0.00 39.78 40.28 3bqa n ASN 152 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bqa n ALA 153 N 0.63 1.41 -2.80 5.41 0.00 -1.26 -4.97 120.51 118.93 3bqa n ALA 153 Ca 0.14 0.34 -0.36 0.00 0.00 0.00 0.00 53.44 53.56 3bqa n ALA 153 Cb 0.66 -2.27 -0.08 0.00 0.00 0.00 0.00 19.45 17.76 3bqa n ALA 153 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3bqa s GLN 154 N -1.96 3.77 0.13 0.00 -0.21 -1.26 -3.95 119.66 116.18 3bqa s GLN 154 Ca 0.56 -0.22 0.04 0.00 0.02 0.00 0.00 55.36 55.76 3bqa s GLN 154 Cb -0.55 -3.25 -0.04 0.00 1.00 0.00 0.00 33.01 30.17 3bqa s GLN 154 CO 0.62 0.52 0.15 -1.64 -2.12 0.00 0.00 175.29 172.81 3bqa s MET 155 N -0.28 3.00 -0.08 2.91 -1.94 0.27 -4.95 119.30 118.23 3bqa s MET 155 Ca 0.10 -0.76 0.01 0.00 -1.71 0.00 0.00 55.69 53.33 3bqa s MET 155 Cb -0.12 -2.74 0.02 0.00 2.01 0.00 0.00 34.83 34.01 3bqa s MET 155 CO 0.01 0.52 -0.08 0.99 -0.01 0.00 0.00 175.02 176.45 3bqa s THR 156 N -1.64 0.92 -0.12 2.05 2.01 -1.26 -0.92 115.64 116.68 3bqa s THR 156 Ca 0.31 -0.30 -0.02 0.00 0.31 0.00 0.00 61.69 62.00 3bqa s THR 156 Cb -0.11 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 3bqa s THR 156 CO 0.24 0.33 -0.05 -1.00 -0.69 0.00 0.00 174.62 173.45 3bqa s HIS 157 N 1.15 3.01 0.09 4.92 3.76 -0.03 -0.79 115.29 127.40 3bqa s HIS 157 Ca -0.06 -0.13 -0.28 0.00 -0.15 0.00 0.00 55.06 54.44 3bqa s HIS 157 Cb -0.14 -1.85 -0.06 0.00 1.11 0.00 0.00 32.58 31.64 3bqa s HIS 157 CO -0.02 0.15 0.88 -1.12 -0.85 0.00 0.00 174.74 173.79 3bqa s SER 158 N -0.20 7.40 -0.04 1.40 0.01 -1.26 -1.60 113.70 119.40 3bqa s SER 158 Ca 0.03 1.67 0.02 0.00 1.31 0.00 0.00 55.95 58.98 3bqa s SER 158 Cb -0.13 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.58 3bqa s SER 158 CO 0.02 -0.02 -0.06 -0.69 0.41 0.00 0.00 173.24 172.90 3bqa s VAL 159 N -0.11 0.64 -0.05 3.43 1.01 0.11 -0.95 120.40 124.48 3bqa s VAL 159 Ca 0.43 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.25 3bqa s VAL 159 Cb -0.22 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 3bqa s VAL 159 CO 0.27 0.23 -0.20 0.00 0.00 0.00 0.00 175.10 175.41 3bqa s ALA 160 N 0.67 2.39 -0.13 5.51 0.00 -0.64 -0.57 121.76 128.98 3bqa s ALA 160 Ca -0.10 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.85 3bqa s ALA 160 Cb -0.13 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 3bqa s ALA 160 CO 0.01 0.47 -0.17 0.08 0.00 0.00 0.00 175.76 176.15 3bqa s VAL 161 N -0.41 2.66 -0.10 0.00 1.01 -0.19 -1.45 120.40 121.92 3bqa s VAL 161 Ca 0.04 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.23 3bqa s VAL 161 Cb -0.12 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.19 3bqa s VAL 161 CO 0.02 0.53 -0.11 0.20 0.00 0.00 0.00 175.10 175.74 3bqa s ASN 162 N 0.50 2.14 -0.23 3.32 -0.87 -0.20 -1.64 114.94 117.96 3bqa s ASN 162 Ca -0.11 -0.34 -0.10 0.00 -1.57 0.00 0.00 52.86 50.74 3bqa s ASN 162 Cb -0.16 -0.91 -0.05 0.00 -0.02 0.00 0.00 41.25 40.11 3bqa s ASN 162 CO 0.05 -0.05 0.13 -0.69 -2.57 0.00 0.00 177.10 173.97 3bqa s VAL 163 N 1.25 5.11 -0.29 1.60 1.01 -1.26 -0.38 120.40 127.44 3bqa s VAL 163 Ca -0.03 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 3bqa s VAL 163 Cb -0.14 -3.37 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 3bqa s VAL 163 CO -0.04 0.36 0.08 -0.31 0.00 0.00 0.00 175.10 175.20 3bqa s TYR 164 N 1.05 3.13 0.68 5.22 1.51 0.20 -4.93 117.35 124.21 3bqa s TYR 164 Ca 0.06 -0.83 -0.17 0.00 -1.01 0.00 0.00 57.07 55.13 3bqa s TYR 164 Cb -0.14 -2.26 0.01 0.00 -0.11 0.00 0.00 41.96 39.46 3bqa s TYR 164 CO 0.04 -0.52 1.24 -1.25 -1.11 0.00 0.00 175.55 173.95 3bqa s PRO 165 N 1.53 2.42 0.50 -1.71 0.04 -1.26 -1.19 135.00 135.33 3bqa s PRO 165 Ca 0.04 1.90 -0.23 0.00 0.04 0.00 0.00 61.00 62.75 3bqa s PRO 165 Cb -0.17 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 3bqa s PRO 165 CO 0.03 -1.65 1.20 0.00 0.04 0.00 0.00 177.00 176.62 3bqa n ALA 166 N -2.22 1.00 -2.44 8.56 0.00 -1.26 -4.67 120.51 119.47 3bqa n ALA 166 Ca 0.14 0.16 -0.23 0.00 0.00 0.00 0.00 53.44 53.51 3bqa n ALA 166 Cb 0.49 -2.24 -0.08 0.00 0.00 0.00 0.00 19.45 17.62 3bqa n ALA 166 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3bqa s THR 167 N -1.30 0.46 0.60 0.00 -4.23 0.15 -4.92 115.64 106.41 3bqa s THR 167 Ca 0.68 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.49 3bqa s THR 167 Cb -0.47 -2.41 0.36 0.00 1.34 0.00 0.00 72.50 71.33 3bqa s THR 167 CO 0.53 0.00 2.19 0.77 -0.54 0.00 0.00 174.62 177.57 3bqa h SER 168 N 1.92 0.00 -0.00 3.99 4.64 -2.01 -2.97 113.55 119.12 3bqa h SER 168 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3bqa h SER 168 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3bqa h SER 168 CO 0.53 0.00 -0.02 -2.11 -0.87 0.00 0.00 176.83 174.36 3bqa n ARG 169 N -3.72 0.32 -3.75 4.77 1.85 -1.26 -5.04 116.66 109.83 3bqa n ARG 169 Ca -0.01 -0.59 -0.13 0.00 -1.00 0.00 0.00 57.85 56.12 3bqa n ARG 169 Cb 0.20 -1.00 -0.11 0.00 -1.05 0.00 0.00 32.46 30.49 3bqa n ARG 169 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 177.63 179.03 3bqa s MET 170 N -0.39 0.34 0.91 2.89 1.75 -1.12 -4.19 119.30 119.49 3bqa s MET 170 Ca 0.03 0.48 -0.13 0.00 -1.25 0.00 0.00 55.69 54.82 3bqa s MET 170 Cb 0.02 0.11 0.14 0.00 2.84 0.00 0.00 34.83 37.94 3bqa s MET 170 CO 0.05 -0.07 1.17 -1.25 -0.65 0.00 0.00 175.02 174.26 3bqa s PRO 171 N 0.45 1.15 0.23 4.11 0.04 -1.26 0.33 135.00 140.05 3bqa s PRO 171 Ca -0.02 0.14 -0.32 0.00 0.04 0.00 0.00 61.00 60.84 3bqa s PRO 171 Cb -0.04 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.53 3bqa s PRO 171 CO -0.02 -2.16 1.67 1.17 0.04 0.00 0.00 177.00 177.69 3bqa n LYS 172 N -3.71 2.68 -4.15 4.56 4.81 -1.26 -4.52 118.16 116.57 3bqa n LYS 172 Ca 0.08 0.96 -0.15 0.00 -0.87 0.00 0.00 58.31 58.33 3bqa n LYS 172 Cb 0.60 -2.78 -0.13 0.00 0.02 0.00 0.00 35.03 32.74 3bqa n LYS 172 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3bqa s LEU 173 N 0.64 2.17 -0.19 3.14 1.02 -0.33 -3.46 118.68 121.66 3bqa s LEU 173 Ca 0.72 -0.40 -0.02 0.00 0.02 0.00 0.00 54.13 54.45 3bqa s LEU 173 Cb -0.52 -0.29 0.00 0.00 0.02 0.00 0.00 46.19 45.39 3bqa s LEU 173 CO 0.38 -0.07 -0.11 -0.89 0.02 0.00 0.00 176.35 175.68 3bqa s THR 174 N -0.91 2.90 -0.18 5.49 2.01 -0.35 0.61 115.64 125.22 3bqa s THR 174 Ca -0.04 -0.66 -0.03 0.00 0.31 0.00 0.00 61.69 61.27 3bqa s THR 174 Cb -0.07 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 3bqa s THR 174 CO 0.00 0.47 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.72 3bqa s ILE 175 N 1.27 3.47 -0.15 1.82 1.01 0.48 -0.61 121.20 128.49 3bqa s ILE 175 Ca 0.03 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.17 3bqa s ILE 175 Cb -0.14 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 3bqa s ILE 175 CO -0.05 0.47 -0.06 -0.69 0.00 0.00 0.00 174.94 174.61 3bqa s VAL 176 N 0.82 3.62 -0.14 2.92 1.01 0.45 -1.04 120.40 128.04 3bqa s VAL 176 Ca -0.02 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3bqa s VAL 176 Cb -0.15 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.67 3bqa s VAL 176 CO 0.01 0.49 -0.20 -0.69 0.00 0.00 0.00 175.10 174.72 3bqa s VAL 177 N 0.46 1.93 -0.13 2.92 1.01 -0.53 -0.30 120.40 125.77 3bqa s VAL 177 Ca -0.05 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 3bqa s VAL 177 Cb -0.15 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 3bqa s VAL 177 CO 0.03 0.52 -0.01 -0.69 0.00 0.00 0.00 175.10 174.96 3bqa s VAL 178 N 0.96 4.21 -0.31 2.92 1.01 0.24 -1.63 120.40 127.80 3bqa s VAL 178 Ca -0.04 -0.26 -0.22 0.00 0.00 0.00 0.00 61.98 61.45 3bqa s VAL 178 Cb -0.15 -2.82 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 3bqa s VAL 178 CO -0.04 0.54 0.74 -0.62 0.00 0.00 0.00 175.10 175.72 3bqa s ASP 179 N -0.19 6.61 0.14 3.32 3.68 -0.12 -1.13 116.67 128.98 3bqa s ASP 179 Ca 0.05 0.58 0.25 0.00 2.13 0.00 0.00 52.55 55.56 3bqa s ASP 179 Cb -0.13 -2.38 0.94 0.00 -1.45 0.00 0.00 42.92 39.90 3bqa s ASP 179 CO 0.02 -0.58 1.77 0.35 0.13 0.00 0.00 175.17 176.87 3bqa n THR 180 N 5.50 0.52 -3.19 1.71 -2.24 -1.26 -4.19 114.28 111.13 3bqa n THR 180 Ca 0.02 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 3bqa n THR 180 Cb 0.48 -0.71 -0.07 0.00 -2.10 0.00 0.00 70.33 67.93 3bqa n THR 180 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3bqa s ILE 181 N -3.10 4.95 0.67 2.28 1.01 -1.26 -4.43 121.20 121.30 3bqa s ILE 181 Ca 0.10 0.18 -0.17 0.00 0.00 0.00 0.00 60.65 60.76 3bqa s ILE 181 Cb 0.13 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.52 3bqa s ILE 181 CO 0.51 -0.39 1.14 -0.81 0.00 0.00 0.00 174.94 175.39 3bqa n PRO 182 N 5.93 0.86 0.30 2.79 -0.04 -1.26 -4.79 135.00 138.80 3bqa n PRO 182 Ca -0.04 0.35 0.16 0.00 -0.04 0.00 0.00 63.50 63.93 3bqa n PRO 182 Cb 0.48 -2.37 0.94 0.00 -0.04 0.00 0.00 33.50 32.51 3bqa n PRO 182 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3bqa h VAL 183 N 0.24 0.44 0.00 0.52 -1.51 -1.34 0.19 116.25 114.79 3bqa h VAL 183 Ca -0.49 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 3bqa h VAL 183 Cb 1.34 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 3bqa h VAL 183 CO 0.51 0.02 0.00 -0.33 -1.23 0.00 0.00 177.57 176.53 3bqa h GLU 184 N 0.00 0.00 -0.30 5.19 3.07 -1.89 -2.40 114.58 118.25 3bqa h GLU 184 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3bqa h GLU 184 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 3bqa h GLU 184 CO 0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 3bqa n LEU 185 N -2.63 2.80 -4.75 1.33 4.77 0.04 -5.04 117.00 113.52 3bqa n LEU 185 Ca 0.01 -1.80 -0.36 0.00 -0.03 0.00 0.00 56.01 53.83 3bqa n LEU 185 Cb 0.24 -0.20 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3bqa n LEU 185 CO 0.22 0.68 0.85 -1.59 -1.33 0.00 0.00 177.39 176.22 3bqa s LYS 186 N -1.00 2.97 0.83 3.23 -2.85 -0.90 -4.96 119.74 117.06 3bqa s LYS 186 Ca 0.23 1.85 -0.12 0.00 -1.00 0.00 0.00 55.97 56.93 3bqa s LYS 186 Cb 0.12 -1.94 0.09 0.00 -2.06 0.00 0.00 37.83 34.04 3bqa s LYS 186 CO 0.17 -1.21 1.12 -1.12 0.10 0.00 0.00 175.35 174.40 3bqa s SER 187 N -1.56 4.24 0.00 0.03 0.01 -1.26 -5.10 113.70 110.06 3bqa s SER 187 Ca 0.77 1.10 0.29 0.00 1.31 0.00 0.00 55.95 59.43 3bqa s SER 187 Cb -0.31 -1.76 1.33 0.00 0.21 0.00 0.00 66.02 65.50 3bqa s SER 187 CO 0.34 -2.11 1.90 -1.54 0.41 0.00 0.00 173.24 172.25