#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3guq n VAL 20 N 0.00 0.00 -3.19 2.53 0.24 -1.26 -5.06 118.33 111.59 3guq n VAL 20 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.06 3guq n VAL 20 Cb 0.00 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.36 3guq n VAL 20 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3guq s PRO 21 N 0.00 3.45 0.29 7.34 0.04 -1.26 -4.97 135.00 139.89 3guq s PRO 21 Ca 0.00 -0.24 -0.01 0.00 0.04 0.00 0.00 61.00 60.79 3guq s PRO 21 Cb 0.00 -2.59 0.48 0.00 0.04 0.00 0.00 34.50 32.43 3guq s PRO 21 CO 0.00 0.03 1.92 -0.92 0.04 0.00 0.00 177.00 178.07 3guq h TYR 22 N 0.61 1.08 0.00 0.56 5.03 -1.99 -2.77 116.97 119.48 3guq h TYR 22 Ca -0.49 0.03 0.00 0.00 2.58 0.00 0.00 58.73 60.85 3guq h TYR 22 Cb 1.22 -0.36 0.00 0.00 1.55 0.00 0.00 36.73 39.14 3guq h TYR 22 CO 0.52 0.59 0.00 -2.67 -1.32 0.00 0.00 178.16 175.28 3guq n TRP 23 N -4.47 0.24 1.08 -3.82 4.27 -1.26 -1.36 117.44 112.12 3guq n TRP 23 Ca 0.13 0.11 0.12 0.00 -3.89 0.00 0.00 57.50 53.97 3guq n TRP 23 Cb 0.15 -0.68 0.11 0.00 -1.36 0.00 0.00 31.31 29.53 3guq n TRP 23 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 3guq n MET 24 N -1.74 0.92 -2.41 -2.67 2.81 -1.04 -4.87 117.12 108.13 3guq n MET 24 Ca 0.01 -0.70 -0.40 0.00 -1.81 0.00 0.00 57.70 54.80 3guq n MET 24 Cb 0.09 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.08 3guq n MET 24 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3guq s LEU 25 N -2.56 4.53 -0.18 4.03 1.43 -0.47 -4.96 118.68 120.50 3guq s LEU 25 Ca 0.19 2.35 -0.39 0.00 -1.03 0.00 0.00 54.13 55.25 3guq s LEU 25 Cb 0.18 -3.63 -0.16 0.00 0.03 0.00 0.00 46.19 42.61 3guq s LEU 25 CO 0.59 -0.22 1.66 0.00 0.23 0.00 0.00 176.35 178.61 3guq n GLN 26 N 1.12 1.21 0.00 1.70 1.13 -1.26 -4.78 117.38 116.51 3guq n GLN 26 Ca -0.01 0.44 0.00 0.00 -1.94 0.00 0.00 57.00 55.49 3guq n GLN 26 Cb 0.44 -2.13 0.00 0.00 0.11 0.00 0.00 30.24 28.67 3guq n GLN 26 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3guq n ASN 27 N 4.75 2.65 0.00 1.08 3.02 -1.26 -5.06 115.26 120.45 3guq n ASN 27 Ca 0.24 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 3guq n ASN 27 Cb 0.15 0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 3guq n ASN 27 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3guq n ARG 28 N -1.49 0.00 -2.73 3.52 0.00 -1.26 -4.90 116.66 109.80 3guq n ARG 28 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.46 3guq n ARG 28 Cb 0.28 -1.51 -0.06 0.00 0.00 0.00 0.00 32.46 31.17 3guq n ARG 28 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3guq s SER 29 N -0.63 7.51 0.00 6.15 1.04 -1.26 -5.05 113.70 121.46 3guq s SER 29 Ca 0.00 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.37 3guq s SER 29 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 3guq s SER 29 CO 0.00 0.05 0.00 -0.62 0.98 0.00 0.00 173.24 173.65 3guq n GLU 30 N 1.15 0.00 -3.00 4.02 1.02 -1.26 -5.01 120.64 117.56 3guq n GLU 30 Ca -0.01 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.12 3guq n GLU 30 Cb 0.48 -0.46 -0.01 0.00 -0.02 0.00 0.00 31.44 31.43 3guq n GLU 30 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3guq n TYR 31 N 0.00 -0.96 0.14 -0.32 4.01 -1.26 -4.87 117.16 113.90 3guq n TYR 31 Ca 0.00 0.53 0.02 0.00 -0.16 0.00 0.00 57.90 58.29 3guq n TYR 31 Cb 0.00 -1.64 0.13 0.00 -0.31 0.00 0.00 39.34 37.51 3guq n TYR 31 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 3guq h ILE 32 N 4.55 1.06 -0.01 -0.72 2.04 -1.95 -2.90 117.51 119.57 3guq h ILE 32 Ca -0.10 -2.16 0.00 0.00 1.00 0.00 0.00 64.86 63.60 3guq h ILE 32 Cb 0.40 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 3guq h ILE 32 CO 0.01 0.54 0.00 0.35 0.00 0.00 0.00 178.15 179.04 3guq n THR 33 N -3.40 0.01 -4.39 -0.27 -2.24 -1.26 -4.62 114.28 98.11 3guq n THR 33 Ca 0.01 -0.14 -0.35 0.00 -2.27 0.00 0.00 64.05 61.29 3guq n THR 33 Cb 0.68 0.06 -0.10 0.00 -2.10 0.00 0.00 70.33 68.87 3guq n THR 33 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3guq s GLN 34 N -1.99 3.00 0.01 -0.78 -0.21 -1.10 -0.81 119.66 117.78 3guq s GLN 34 Ca 0.42 -0.42 0.03 0.00 0.02 0.00 0.00 55.36 55.40 3guq s GLN 34 Cb 0.21 -2.78 -0.01 0.00 1.00 0.00 0.00 33.01 31.42 3guq s GLN 34 CO 0.34 0.68 -0.08 0.20 -2.12 0.00 0.00 175.29 174.31 3guq s GLY 35 N -0.82 0.44 -0.06 3.09 0.00 -0.61 -4.72 107.32 104.63 3guq s GLY 35 Ca 0.13 -0.47 0.05 0.00 0.00 0.00 0.00 44.72 44.42 3guq s GLY 35 CO 0.02 -0.44 -0.22 -1.34 0.00 0.00 0.00 173.10 171.12 3guq s VAL 36 N -0.50 1.83 0.23 1.40 -7.23 -1.25 -1.44 120.40 113.43 3guq s VAL 36 Ca 0.00 -0.92 -0.21 0.00 -1.81 0.00 0.00 61.98 59.04 3guq s VAL 36 Cb -0.05 -1.56 0.03 0.00 0.56 0.00 0.00 36.38 35.36 3guq s VAL 36 CO 0.00 0.51 0.64 -0.62 -0.31 0.00 0.00 175.10 175.32 3guq s ASP 37 N 0.05 -0.34 0.09 4.85 -1.08 -1.07 -4.90 116.67 114.26 3guq s ASP 37 Ca -0.08 -0.43 0.02 0.00 -0.52 0.00 0.00 52.55 51.55 3guq s ASP 37 Cb -0.14 0.66 -0.04 0.00 -1.46 0.00 0.00 42.92 41.94 3guq s ASP 37 CO 0.04 -1.18 -0.07 -0.94 0.52 0.00 0.00 175.17 173.55 3guq s SER 38 N -2.87 1.08 0.39 -0.34 1.04 -1.26 -1.36 113.70 110.38 3guq s SER 38 Ca 0.08 -0.94 0.04 0.00 0.48 0.00 0.00 55.95 55.61 3guq s SER 38 Cb -0.03 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 3guq s SER 38 CO -0.00 -0.44 0.07 -0.55 0.98 0.00 0.00 173.24 173.30 3guq s SER 39 N -2.84 2.92 0.13 7.02 0.15 -0.77 -4.87 113.70 115.44 3guq s SER 39 Ca 0.09 -1.54 0.10 0.00 0.70 0.00 0.00 55.95 55.30 3guq s SER 39 Cb 0.03 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.52 3guq s SER 39 CO -0.04 -0.76 -0.24 -1.00 1.20 0.00 0.00 173.24 172.40 3guq s HIS 40 N -3.15 2.10 0.44 3.44 3.76 -1.26 -0.99 115.29 119.63 3guq s HIS 40 Ca 0.27 -0.40 -0.26 0.00 -0.15 0.00 0.00 55.06 54.53 3guq s HIS 40 Cb 0.05 -1.12 -0.08 0.00 1.11 0.00 0.00 32.58 32.54 3guq s HIS 40 CO 0.13 0.32 1.41 0.42 -0.85 0.00 0.00 174.74 176.17 3guq s ILE 41 N -1.25 2.15 -0.02 0.60 1.01 0.18 -4.94 121.20 118.92 3guq s ILE 41 Ca 0.13 0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.85 3guq s ILE 41 Cb -0.09 -3.08 0.01 0.00 0.01 0.00 0.00 42.46 39.30 3guq s ILE 41 CO 0.06 0.02 0.14 -0.69 0.00 0.00 0.00 174.94 174.47 3guq s VAL 42 N -1.21 0.05 0.16 2.92 1.01 -1.26 -5.04 120.40 117.03 3guq s VAL 42 Ca 0.60 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.93 3guq s VAL 42 Cb -0.43 -0.35 0.05 0.00 0.00 0.00 0.00 36.38 35.65 3guq s VAL 42 CO 0.55 -0.23 1.60 0.44 0.00 0.00 0.00 175.10 177.47 3guq h ASP 43 N 4.93 -1.04 0.00 3.32 3.45 -2.04 -2.55 116.42 122.49 3guq h ASP 43 Ca -0.29 0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.36 3guq h ASP 43 Cb 1.20 0.49 0.00 0.00 -0.56 0.00 0.00 39.33 40.45 3guq h ASP 43 CO 0.41 -0.32 0.03 0.61 -1.57 0.00 0.00 179.24 178.40 3guq n GLY 44 N -1.41 -0.23 2.83 2.75 0.00 -1.26 -4.89 105.19 102.98 3guq n GLY 44 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3guq n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3guq s LYS 45 N -2.40 -0.01 0.39 1.61 1.02 -0.96 -5.13 119.74 114.26 3guq s LYS 45 Ca 0.00 0.10 -0.27 0.00 0.02 0.00 0.00 55.97 55.82 3guq s LYS 45 Cb 0.00 -0.12 -0.09 0.00 -0.52 0.00 0.00 37.83 37.10 3guq s LYS 45 CO 0.00 -0.08 1.38 -1.59 -0.92 0.00 0.00 175.35 174.14 3guq s LYS 46 N 0.51 4.02 0.62 1.68 0.00 -1.26 -4.78 119.74 120.54 3guq s LYS 46 Ca -0.04 2.33 0.34 0.00 0.00 0.00 0.00 55.97 58.60 3guq s LYS 46 Cb -0.06 -2.85 1.94 0.00 0.00 0.00 0.00 37.83 36.85 3guq s LYS 46 CO -0.01 -0.51 2.21 1.15 0.00 0.00 0.00 175.35 178.18 3guq h THR 47 N 2.67 0.30 -0.38 3.79 2.02 -1.98 -1.35 112.91 117.98 3guq h THR 47 Ca -0.50 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.58 3guq h THR 47 Cb 1.24 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 3guq h THR 47 CO 0.63 0.00 -0.19 1.05 0.37 0.00 0.00 175.52 177.38 3guq h GLU 48 N 0.00 0.73 -0.39 6.66 4.11 -1.99 -1.02 114.58 122.68 3guq h GLU 48 Ca 0.03 -0.27 -0.07 0.00 0.07 0.00 0.00 59.36 59.11 3guq h GLU 48 Cb 0.22 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3guq h GLU 48 CO -0.00 0.87 -0.07 1.49 0.07 0.00 0.00 179.01 181.37 3guq h GLU 49 N 0.65 0.65 0.00 1.06 4.81 -1.63 -2.88 114.58 117.23 3guq h GLU 49 Ca 0.10 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 3guq h GLU 49 Cb 0.67 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 3guq h GLU 49 CO 0.05 0.71 -0.47 0.82 -0.73 0.00 0.00 179.01 179.39 3guq h ILE 50 N 0.60 0.63 0.00 2.32 2.04 -1.22 -1.91 117.51 119.97 3guq h ILE 50 Ca 0.11 -1.90 -0.14 0.00 1.00 0.00 0.00 64.86 63.93 3guq h ILE 50 Cb 0.48 2.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 3guq h ILE 50 CO 0.03 0.36 -0.67 -0.33 0.00 0.00 0.00 178.15 177.53 3guq h GLU 51 N 0.00 0.00 -0.07 2.37 5.08 -1.22 -2.62 114.58 118.11 3guq h GLU 51 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3guq h GLU 51 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 3guq h GLU 51 CO 0.05 0.67 -0.07 -0.22 -1.00 0.00 0.00 179.01 178.45 3guq h LYS 52 N 0.00 0.17 -0.73 2.33 3.64 -1.29 0.17 116.57 120.86 3guq h LYS 52 Ca -0.01 -0.09 0.09 0.00 -1.27 0.00 0.00 60.65 59.37 3guq h LYS 52 Cb 1.33 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.09 3guq h LYS 52 CO 0.09 0.60 0.38 0.82 -2.27 0.00 0.00 179.45 179.07 3guq h ILE 53 N -0.25 0.88 -0.19 2.00 1.08 -1.38 -0.88 117.51 118.77 3guq h ILE 53 Ca 0.01 -0.23 -0.14 0.00 -0.39 0.00 0.00 64.86 64.11 3guq h ILE 53 Cb 0.57 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.48 3guq h ILE 53 CO 0.02 0.12 -0.44 0.00 -0.69 0.00 0.00 178.15 177.16 3guq h ALA 54 N 1.42 0.30 -0.58 1.87 0.00 -1.28 -1.52 119.26 119.48 3guq h ALA 54 Ca 0.35 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3guq h ALA 54 Cb 0.34 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3guq h ALA 54 CO -0.25 0.43 0.38 1.15 0.00 0.00 0.00 179.25 180.97 3guq h THR 55 N 0.30 1.08 0.07 0.00 2.02 -0.30 -1.54 112.91 114.55 3guq h THR 55 Ca -0.00 -0.24 -0.29 0.00 0.77 0.00 0.00 66.41 66.66 3guq h THR 55 Cb 1.05 0.34 0.03 0.00 -1.74 0.00 0.00 68.15 67.82 3guq h THR 55 CO 0.10 0.13 -1.17 0.50 0.37 0.00 0.00 175.52 175.45 3guq h LYS 56 N 0.69 0.64 -0.07 6.66 3.11 -0.86 -1.72 116.57 125.03 3guq h LYS 56 Ca 0.23 -0.79 -0.08 0.00 -2.81 0.00 0.00 60.65 57.20 3guq h LYS 56 Cb 0.06 0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 31.53 3guq h LYS 56 CO -0.06 1.35 -0.31 0.00 -2.81 0.00 0.00 179.45 177.62 3guq h ARG 57 N 0.32 0.14 -0.09 1.90 2.47 -1.07 -2.32 114.38 115.73 3guq h ARG 57 Ca -0.16 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.48 3guq h ARG 57 Cb 1.83 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 30.14 3guq h ARG 57 CO 0.22 0.44 -0.06 0.00 0.56 0.00 0.00 179.97 181.14 3guq h ALA 58 N 1.56 0.12 -0.87 0.04 0.00 -1.21 -0.50 119.26 118.41 3guq h ALA 58 Ca 0.02 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.79 3guq h ALA 58 Cb 0.62 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 3guq h ALA 58 CO 0.05 -0.09 0.56 1.15 0.00 0.00 0.00 179.25 180.91 3guq h THR 59 N -0.20 0.90 -0.05 0.00 2.02 -1.24 -1.65 112.91 112.70 3guq h THR 59 Ca 0.02 -0.26 -0.11 0.00 0.77 0.00 0.00 66.41 66.82 3guq h THR 59 Cb 0.53 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3guq h THR 59 CO 0.02 0.14 -0.50 0.40 0.37 0.00 0.00 175.52 175.95 3guq h ILE 60 N 0.77 1.35 -0.55 3.11 2.04 -1.17 -2.37 117.51 120.70 3guq h ILE 60 Ca 0.42 -1.73 -0.09 0.00 1.00 0.00 0.00 64.86 64.46 3guq h ILE 60 Cb 0.56 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 3guq h ILE 60 CO -0.19 0.50 -0.02 -0.09 0.00 0.00 0.00 178.15 178.35 3guq h ARG 61 N 0.09 0.95 -0.53 2.37 9.65 -0.18 -0.83 114.38 125.90 3guq h ARG 61 Ca 0.00 -0.29 0.06 0.00 -1.10 0.00 0.00 59.98 58.65 3guq h ARG 61 Cb 0.92 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 29.35 3guq h ARG 61 CO 0.07 0.95 0.24 0.28 2.80 0.00 0.00 179.97 184.32 3guq h VAL 62 N 0.87 0.90 -0.37 0.20 2.07 -0.86 0.39 116.25 119.45 3guq h VAL 62 Ca 0.16 -0.16 -0.14 0.00 0.82 0.00 0.00 66.70 67.38 3guq h VAL 62 Cb 0.54 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3guq h VAL 62 CO 0.03 0.09 -0.33 0.00 0.02 0.00 0.00 177.57 177.38 3guq h ALA 63 N 1.31 0.72 -0.75 1.67 0.00 -1.22 -0.03 119.26 120.96 3guq h ALA 63 Ca 0.25 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3guq h ALA 63 Cb 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3guq h ALA 63 CO -0.20 0.66 0.48 1.96 0.00 0.00 0.00 179.25 182.15 3guq h GLN 64 N 0.69 1.00 -0.67 0.00 4.20 -0.85 0.17 115.11 119.65 3guq h GLN 64 Ca 0.07 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 3guq h GLN 64 Cb 0.88 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 3guq h GLN 64 CO 0.08 0.68 0.15 -0.91 -0.67 0.00 0.00 178.83 178.15 3guq h ASN 65 N 1.02 1.04 -0.12 1.46 2.35 0.41 -1.64 115.58 120.11 3guq h ASN 65 Ca 0.27 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 3guq h ASN 65 Cb -0.09 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.00 3guq h ASN 65 CO -0.06 1.01 -0.04 0.40 -1.65 0.00 0.00 177.43 177.10 3guq h ILE 66 N 1.02 1.30 -0.54 2.81 2.04 -0.30 -2.15 117.51 121.68 3guq h ILE 66 Ca 0.21 -1.00 0.05 0.00 1.00 0.00 0.00 64.86 65.11 3guq h ILE 66 Cb 0.39 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 38.14 3guq h ILE 66 CO 0.01 0.29 0.28 -0.37 0.00 0.00 0.00 178.15 178.36 3guq h VAL 67 N -0.08 0.96 -0.62 1.67 -1.51 -0.51 -0.85 116.25 115.31 3guq h VAL 67 Ca 0.03 -0.19 0.12 0.00 -1.23 0.00 0.00 66.70 65.43 3guq h VAL 67 Cb 0.47 0.37 -0.09 0.00 -2.13 0.00 0.00 31.29 29.91 3guq h VAL 67 CO 0.01 0.10 0.15 -0.74 -1.23 0.00 0.00 177.57 175.86 3guq h HIS 68 N 0.54 0.24 -0.30 5.19 -0.00 -1.17 0.11 115.15 119.77 3guq h HIS 68 Ca 0.24 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.64 3guq h HIS 68 Cb 0.14 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.52 3guq h HIS 68 CO -0.10 -0.02 0.15 0.87 -0.00 0.00 0.00 177.93 178.84 3guq h LYS 69 N 0.28 0.40 -0.11 5.26 1.79 -0.52 -1.92 116.57 121.77 3guq h LYS 69 Ca 0.33 -0.03 -0.17 0.00 -2.18 0.00 0.00 60.65 58.59 3guq h LYS 69 Cb 0.48 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 3guq h LYS 69 CO -0.40 0.30 -0.67 -0.07 -1.08 0.00 0.00 179.45 177.53 3guq h LEU 70 N 0.41 0.50 -0.42 2.94 3.38 0.09 -2.37 115.31 119.84 3guq h LEU 70 Ca 0.11 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.82 3guq h LEU 70 Cb 0.02 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3guq h LEU 70 CO -0.02 1.03 0.16 0.11 0.09 0.00 0.00 178.44 179.81 3guq h LYS 71 N 0.31 0.33 -0.83 1.13 1.57 -0.34 -0.22 116.57 118.52 3guq h LYS 71 Ca -0.02 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3guq h LYS 71 Cb 1.23 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.41 3guq h LYS 71 CO 0.12 0.22 0.53 0.93 -0.57 0.00 0.00 179.45 180.67 3guq h GLU 72 N 0.34 0.98 -0.39 3.15 5.08 -1.10 -1.74 114.58 120.90 3guq h GLU 72 Ca 0.19 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3guq h GLU 72 Cb 0.16 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3guq h GLU 72 CO -0.18 0.65 0.19 0.00 -1.00 0.00 0.00 179.01 178.67 3guq h ALA 73 N 1.36 0.50 -0.38 3.43 0.00 -0.95 -2.24 119.26 120.98 3guq h ALA 73 Ca 0.34 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3guq h ALA 73 Cb 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3guq h ALA 73 CO -0.13 0.05 -0.21 -0.92 0.00 0.00 0.00 179.25 178.04 3guq h TYR 74 N 0.49 0.83 0.00 0.00 5.03 -0.83 -2.19 116.97 120.31 3guq h TYR 74 Ca 0.13 -0.18 -0.02 0.00 2.58 0.00 0.00 58.73 61.24 3guq h TYR 74 Cb 0.10 -0.20 -0.00 0.00 1.55 0.00 0.00 36.73 38.17 3guq h TYR 74 CO -0.02 0.88 -0.11 -0.07 -1.32 0.00 0.00 178.16 177.53 3guq h LEU 75 N 0.65 0.00-10.02 2.82 -0.00 -1.22 -3.43 115.31 104.11 3guq h LEU 75 Ca 0.09 0.00 -0.54 0.00 -0.00 0.00 0.00 57.88 57.43 3guq h LEU 75 Cb 0.70 0.00 0.12 0.00 -0.00 0.00 0.00 40.66 41.48 3guq h LEU 75 CO 0.05 0.11 0.60 -0.55 -0.00 0.00 0.00 178.44 178.65 3guq s SER 76 N -5.95 5.59 0.59 -0.43 0.15 -0.82 -4.85 113.70 107.98 3guq s SER 76 Ca 0.01 2.71 0.29 0.00 0.70 0.00 0.00 55.95 59.65 3guq s SER 76 Cb 0.10 -2.63 1.48 0.00 -1.71 0.00 0.00 66.02 63.25 3guq s SER 76 CO 0.59 -1.35 1.90 0.50 1.20 0.00 0.00 173.24 176.08 3guq h LYS 77 N 1.79 0.00 0.00 5.44 1.63 -1.88 -1.45 116.57 122.09 3guq h LYS 77 Ca -0.51 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.13 3guq h LYS 77 Cb 1.28 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.89 3guq h LYS 77 CO 0.59 0.00 -0.90 0.00 -3.45 0.00 0.00 179.45 175.69 3guq h THR 78 N 0.00 1.16 -0.81 1.00 1.03 -1.88 -3.48 112.91 109.93 3guq h THR 78 Ca 0.20 -2.71 -0.64 0.00 -0.01 0.00 0.00 66.41 63.25 3guq h THR 78 Cb 1.15 2.55 0.04 0.00 -1.07 0.00 0.00 68.15 70.83 3guq h THR 78 CO -0.00 0.66 0.03 -3.20 -0.01 0.00 0.00 175.52 173.00 3guq n ASN 79 N -3.22 -0.05 0.03 0.00 2.85 -0.55 -4.90 115.26 109.42 3guq n ASN 79 Ca -0.02 0.94 0.11 0.00 -0.11 0.00 0.00 54.58 55.51 3guq n ASN 79 Cb 0.85 -0.75 -0.10 0.00 1.24 0.00 0.00 39.78 41.02 3guq n ASN 79 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3guq n ARG 80 N 1.20 0.62 -1.71 1.20 1.74 -1.26 -4.95 116.66 113.51 3guq n ARG 80 Ca 0.16 -0.08 -0.42 0.00 -0.77 0.00 0.00 57.85 56.74 3guq n ARG 80 Cb 0.07 -1.63 -0.03 0.00 -1.02 0.00 0.00 32.46 29.85 3guq n ARG 80 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3guq s ILE 81 N -3.45 2.29 -0.14 0.55 1.01 -1.26 -4.91 121.20 115.29 3guq s ILE 81 Ca -0.05 0.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.57 3guq s ILE 81 Cb 0.12 -3.00 -0.25 0.00 0.01 0.00 0.00 42.46 39.35 3guq s ILE 81 CO 0.86 0.00 0.28 0.29 0.00 0.00 0.00 174.94 176.37 3guq n LYS 82 N 4.99 0.74 -1.58 2.79 4.01 -1.26 -4.94 118.16 122.91 3guq n LYS 82 Ca 0.17 0.24 -0.37 0.00 -0.51 0.00 0.00 58.31 57.84 3guq n LYS 82 Cb 0.37 -1.68 0.07 0.00 -0.51 0.00 0.00 35.03 33.27 3guq n LYS 82 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 3guq n GLN 83 N -3.41 0.83 -2.73 1.97 7.27 -1.26 -4.98 117.38 115.07 3guq n GLN 83 Ca -0.33 0.33 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 3guq n GLN 83 Cb 1.04 -2.28 -0.03 0.00 2.41 0.00 0.00 30.24 31.38 3guq n GLN 83 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3guq s LYS 84 N -3.10 4.34 -0.14 3.69 2.47 -1.26 -5.03 119.74 120.71 3guq s LYS 84 Ca 0.77 1.29 0.02 0.00 -1.56 0.00 0.00 55.97 56.49 3guq s LYS 84 Cb -0.38 -3.58 0.01 0.00 -1.46 0.00 0.00 37.83 32.42 3guq s LYS 84 CO 0.46 -0.41 -0.19 0.42 0.16 0.00 0.00 175.35 175.78 3guq s ILE 85 N 2.40 1.87 0.44 5.43 1.01 -1.26 -5.11 121.20 125.99 3guq s ILE 85 Ca 0.45 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 60.25 3guq s ILE 85 Cb -0.17 -1.68 -0.00 0.00 0.01 0.00 0.00 42.46 40.61 3guq s ILE 85 CO 0.13 0.51 0.65 0.42 0.00 0.00 0.00 174.94 176.65 3guq s THR 86 N 1.05 4.05 0.29 2.92 -4.23 -1.26 -4.93 115.64 113.53 3guq s THR 86 Ca -0.03 -0.53 -0.02 0.00 -1.18 0.00 0.00 61.69 59.93 3guq s THR 86 Cb -0.14 -3.49 0.24 0.00 1.34 0.00 0.00 72.50 70.45 3guq s THR 86 CO -0.06 -0.33 1.94 -1.13 -0.54 0.00 0.00 174.62 174.51 3guq h ASN 87 N 0.45 0.93 -0.77 3.99 -1.24 -2.00 0.28 115.58 117.22 3guq h ASN 87 Ca -0.46 -0.05 -0.03 0.00 0.71 0.00 0.00 56.30 56.47 3guq h ASN 87 Cb 1.25 -0.23 -0.04 0.00 0.73 0.00 0.00 38.32 40.03 3guq h ASN 87 CO 0.57 0.71 0.36 -0.33 -1.29 0.00 0.00 177.43 177.45 3guq h GLU 88 N 1.08 1.12 -0.72 6.67 3.07 -1.99 -0.04 114.58 123.76 3guq h GLU 88 Ca 0.28 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 3guq h GLU 88 Cb -0.06 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 27.62 3guq h GLU 88 CO -0.05 0.88 0.43 0.52 -1.40 0.00 0.00 179.01 179.38 3guq h MET 89 N 1.09 0.98 -0.17 2.33 2.86 -1.69 -0.81 114.93 119.52 3guq h MET 89 Ca 0.26 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3guq h MET 89 Cb 0.14 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3guq h MET 89 CO -0.03 0.70 0.09 0.74 1.06 0.00 0.00 176.91 179.47 3guq h PHE 90 N 0.98 0.23 -0.97 -0.22 -1.00 -0.05 -1.19 116.94 114.71 3guq h PHE 90 Ca 0.26 -0.00 0.18 0.00 2.81 0.00 0.00 57.97 61.21 3guq h PHE 90 Cb -0.02 -0.07 -0.09 0.00 3.61 0.00 0.00 35.95 39.37 3guq h PHE 90 CO -0.01 0.22 0.61 0.82 -1.61 0.00 0.00 178.31 178.34 3guq h ILE 91 N 0.17 0.74 -0.53 -0.55 2.04 -0.94 0.45 117.51 118.89 3guq h ILE 91 Ca 0.06 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3guq h ILE 91 Cb 0.06 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.09 3guq h ILE 91 CO -0.01 0.13 0.35 1.56 0.00 0.00 0.00 178.15 180.18 3guq h GLN 92 N 0.70 0.71 0.00 2.37 4.20 -0.29 -2.56 115.11 120.24 3guq h GLN 92 Ca 0.53 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.19 3guq h GLN 92 Cb 0.90 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.52 3guq h GLN 92 CO -0.30 0.47 0.00 -1.33 -0.67 0.00 0.00 178.83 177.01 3guq n MET 93 N -4.45 0.15 -0.26 1.46 2.81 0.15 -3.52 117.12 113.45 3guq n MET 93 Ca 0.05 0.54 -0.05 0.00 -1.81 0.00 0.00 57.70 56.43 3guq n MET 93 Cb 0.05 -1.88 0.06 0.00 -0.71 0.00 0.00 33.22 30.74 3guq n MET 93 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3guq h THR 94 N 0.00 1.18 0.51 2.03 2.02 -1.46 -1.91 112.91 115.27 3guq h THR 94 Ca 0.00 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 3guq h THR 94 Cb 0.14 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 3guq h THR 94 CO 0.00 0.18 -0.24 1.56 0.37 0.00 0.00 175.52 177.38 3guq h GLN 95 N 0.96 -0.65 -0.65 6.66 1.08 -1.78 -1.61 115.11 119.12 3guq h GLN 95 Ca 0.26 0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.55 3guq h GLN 95 Cb -0.10 0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.44 3guq h GLN 95 CO -0.06 -0.38 0.43 -1.35 -0.95 0.00 0.00 178.83 176.52 3guq h PRO 96 N -0.82 0.71 0.07 1.46 0.11 -1.77 0.11 132.00 131.87 3guq h PRO 96 Ca -0.07 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.99 3guq h PRO 96 Cb 0.58 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.53 3guq h PRO 96 CO 0.11 0.47 -0.03 0.82 -0.21 0.00 0.00 178.00 179.16 3guq h ILE 97 N 0.73 0.97 -0.29 4.15 2.04 -1.14 -1.67 117.51 122.30 3guq h ILE 97 Ca 0.27 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 66.05 3guq h ILE 97 Cb 0.14 1.07 -0.08 0.00 -0.74 0.00 0.00 36.82 37.21 3guq h ILE 97 CO -0.08 0.04 -0.33 0.22 0.00 0.00 0.00 178.15 177.99 3guq h TYR 98 N -0.16 -0.93 -0.52 1.37 5.03 -0.84 -0.63 116.97 120.29 3guq h TYR 98 Ca -0.01 0.05 0.15 0.00 2.58 0.00 0.00 58.73 61.50 3guq h TYR 98 Cb 0.13 0.45 -0.02 0.00 1.55 0.00 0.00 36.73 38.84 3guq h TYR 98 CO -0.05 -0.40 0.43 -0.44 -1.32 0.00 0.00 178.16 176.38 3guq h ASP 99 N -0.32 0.00 0.98 -2.11 3.45 -0.66 -1.47 116.42 116.28 3guq h ASP 99 Ca 0.14 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.60 3guq h ASP 99 Cb 0.55 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.32 3guq h ASP 99 CO -0.47 0.00 -0.64 0.77 -1.57 0.00 0.00 179.24 177.33 3guq h SER 100 N 0.00 0.00 -2.55 6.45 4.64 -0.15 -3.47 113.55 118.47 3guq h SER 100 Ca 0.25 -0.15 -0.54 0.00 -0.47 0.00 0.00 61.79 60.88 3guq h SER 100 Cb 1.10 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.24 3guq h SER 100 CO -0.00 0.08 0.97 0.18 -0.87 0.00 0.00 176.83 177.19 3guq n LEU 101 N -2.28 3.80 -4.43 5.97 4.77 -0.56 -0.56 117.00 123.71 3guq n LEU 101 Ca 0.03 1.06 -0.30 0.00 -0.03 0.00 0.00 56.01 56.76 3guq n LEU 101 Cb 0.47 -1.54 -0.13 0.00 -2.33 0.00 0.00 43.42 39.89 3guq n LEU 101 CO 0.37 0.08 -0.51 -0.04 -1.33 0.00 0.00 177.39 175.95 3guq s MET 102 N 1.24 1.93 -1.06 3.23 -1.94 -0.52 -4.85 119.30 117.33 3guq s MET 102 Ca 0.76 -1.06 -0.04 0.00 -1.71 0.00 0.00 55.69 53.65 3guq s MET 102 Cb -0.54 -2.12 -0.05 0.00 2.01 0.00 0.00 34.83 34.13 3guq s MET 102 CO 0.34 0.52 0.91 0.09 -0.01 0.00 0.00 175.02 176.87 3guq n ASN 103 N 1.46 -5.06 -4.56 3.03 5.03 -1.26 -2.06 115.26 111.84 3guq n ASN 103 Ca -0.16 -0.66 -0.39 0.00 0.87 0.00 0.00 54.58 54.24 3guq n ASN 103 Cb 0.52 -5.03 -0.11 0.00 -1.02 0.00 0.00 39.78 34.15 3guq n ASN 103 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 3guq s VAL 104 N -3.37 5.29 -0.01 2.41 -7.23 -1.26 -0.81 120.40 115.42 3guq s VAL 104 Ca 0.30 -0.04 -0.11 0.00 -1.81 0.00 0.00 61.98 60.32 3guq s VAL 104 Cb -0.04 -3.64 -0.05 0.00 0.56 0.00 0.00 36.38 33.21 3guq s VAL 104 CO 0.71 0.10 0.33 -1.81 -0.31 0.00 0.00 175.10 174.12 3guq s ASP 105 N 1.74 6.66 -0.37 4.85 -0.00 -0.30 -4.88 116.67 124.37 3guq s ASP 105 Ca 0.07 0.79 -0.26 0.00 -0.00 0.00 0.00 52.55 53.14 3guq s ASP 105 Cb -0.17 -2.18 0.02 0.00 -0.00 0.00 0.00 42.92 40.59 3guq s ASP 105 CO 0.11 0.32 0.96 -0.60 -0.00 0.00 0.00 175.17 175.95 3guq s ARG 106 N -1.26 3.86 0.00 8.23 3.52 -1.26 -2.16 118.95 129.88 3guq s ARG 106 Ca 0.23 0.64 0.25 0.00 -0.13 0.00 0.00 55.73 56.73 3guq s ARG 106 Cb -0.15 -3.80 0.52 0.00 -1.56 0.00 0.00 34.95 29.96 3guq s ARG 106 CO 0.12 -0.97 1.42 1.28 -0.81 0.00 0.00 175.30 176.33 3guq n LEU 107 N 6.86 1.09 0.00 -0.88 4.77 0.11 -4.99 117.00 123.96 3guq n LEU 107 Ca 0.08 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3guq n LEU 107 Cb 0.48 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3guq n LEU 107 CO 0.59 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3guq n GLY 108 N 1.39 2.80 3.22 -0.72 0.00 -1.20 -4.94 105.19 105.74 3guq n GLY 108 Ca 0.10 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 3guq n GLY 108 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3guq s ILE 109 N -1.92 1.75 -0.07 -0.61 -1.09 -1.26 -1.45 121.20 116.54 3guq s ILE 109 Ca 0.00 -0.91 0.00 0.00 -2.23 0.00 0.00 60.65 57.51 3guq s ILE 109 Cb 0.00 -1.48 0.02 0.00 -1.58 0.00 0.00 42.46 39.43 3guq s ILE 109 CO 0.00 0.49 -0.05 -0.47 -1.23 0.00 0.00 174.94 173.69 3guq s TYR 110 N -0.22 0.98 -0.32 3.97 5.04 -0.45 -4.98 117.35 121.37 3guq s TYR 110 Ca 0.01 -0.36 -0.11 0.00 -2.44 0.00 0.00 57.07 54.17 3guq s TYR 110 Cb -0.11 -0.89 -0.02 0.00 0.35 0.00 0.00 41.96 41.29 3guq s TYR 110 CO 0.02 -0.32 0.19 0.42 -1.34 0.00 0.00 175.55 174.52 3guq s ILE 111 N 1.41 4.96 -0.21 3.14 1.09 -1.26 -0.39 121.20 129.95 3guq s ILE 111 Ca -0.03 -0.26 -0.29 0.00 -1.10 0.00 0.00 60.65 58.98 3guq s ILE 111 Cb -0.13 -3.51 -0.04 0.00 -1.06 0.00 0.00 42.46 37.72 3guq s ILE 111 CO -0.03 0.06 1.76 0.21 -0.10 0.00 0.00 174.94 176.84 3guq s ASN 112 N 1.68 6.21 0.34 3.58 3.04 0.11 -4.90 114.94 124.99 3guq s ASN 112 Ca 0.06 1.73 0.08 0.00 0.04 0.00 0.00 52.86 54.77 3guq s ASN 112 Cb -0.17 -2.53 0.63 0.00 -1.54 0.00 0.00 41.25 37.64 3guq s ASN 112 CO 0.09 -1.38 1.81 -0.65 -3.04 0.00 0.00 177.10 173.92 3guq h PRO 113 N 11.54 0.22 -0.32 0.43 0.11 -1.97 0.68 132.00 142.70 3guq h PRO 113 Ca -0.36 -0.08 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 3guq h PRO 113 Cb 1.18 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3guq h PRO 113 CO 0.99 0.49 -0.28 -0.91 -0.21 0.00 0.00 178.00 178.08 3guq h ASN 114 N 0.20 0.67 0.05 -2.05 -0.26 -1.98 -3.32 115.58 108.89 3guq h ASN 114 Ca 0.03 -0.25 0.00 0.00 -0.56 0.00 0.00 56.30 55.52 3guq h ASN 114 Cb 0.60 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 3guq h ASN 114 CO 0.04 0.92 -1.83 -3.20 -1.06 0.00 0.00 177.43 172.31 3guq n ASN 115 N -4.09 0.16 -3.71 5.81 4.05 -1.11 -4.97 115.26 111.40 3guq n ASN 115 Ca -0.01 -0.11 -0.28 0.00 0.45 0.00 0.00 54.58 54.63 3guq n ASN 115 Cb 0.45 1.80 -0.01 0.00 1.23 0.00 0.00 39.78 43.25 3guq n ASN 115 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 3guq n GLU 116 N -2.18 -3.64 -3.64 1.20 1.02 0.21 -4.76 120.64 108.85 3guq n GLU 116 Ca -0.03 0.46 -0.37 0.00 -0.02 0.00 0.00 57.16 57.20 3guq n GLU 116 Cb 0.54 -5.20 -0.09 0.00 -0.02 0.00 0.00 31.44 26.67 3guq n GLU 116 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3guq s GLU 117 N -6.39 4.09 -0.28 3.49 2.12 -1.11 -0.65 118.70 119.97 3guq s GLU 117 Ca 0.55 -0.22 -0.08 0.00 0.36 0.00 0.00 54.97 55.58 3guq s GLU 117 Cb -0.29 -3.53 -0.01 0.00 0.26 0.00 0.00 34.13 30.56 3guq s GLU 117 CO 0.68 0.07 0.10 0.08 -0.54 0.00 0.00 175.26 175.65 3guq s VAL 118 N 1.01 4.34 0.20 3.70 1.01 -0.16 0.04 120.40 130.55 3guq s VAL 118 Ca 0.09 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3guq s VAL 118 Cb -0.13 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 3guq s VAL 118 CO 0.04 0.18 0.35 -0.36 0.00 0.00 0.00 175.10 175.31 3guq s PHE 119 N 1.59 3.48 -0.01 5.22 0.08 0.47 -1.86 117.98 126.95 3guq s PHE 119 Ca 0.05 0.17 0.02 0.00 0.12 0.00 0.00 56.93 57.29 3guq s PHE 119 Cb -0.16 -1.72 -0.00 0.00 -0.57 0.00 0.00 43.02 40.57 3guq s PHE 119 CO 0.04 0.43 -0.06 0.00 -0.10 0.00 0.00 175.22 175.53 3guq s ALA 120 N -1.88 0.58 -0.22 5.36 0.00 -0.47 -1.34 121.76 123.80 3guq s ALA 120 Ca 0.36 -0.26 -0.08 0.00 0.00 0.00 0.00 51.96 51.99 3guq s ALA 120 Cb -0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 3guq s ALA 120 CO 0.29 0.12 0.08 -1.17 0.00 0.00 0.00 175.76 175.08 3guq s LEU 121 N 0.00 3.64 0.16 0.00 0.20 -0.53 -2.61 118.68 119.54 3guq s LEU 121 Ca 0.00 -0.08 0.06 0.00 0.69 0.00 0.00 54.13 54.80 3guq s LEU 121 Cb -0.05 -1.96 -0.04 0.00 -0.43 0.00 0.00 46.19 43.72 3guq s LEU 121 CO -0.00 0.05 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.30 3guq s VAL 122 N 1.12 1.35 -0.23 1.68 1.01 -0.52 0.05 120.40 124.86 3guq s VAL 122 Ca 0.05 -2.05 -0.07 0.00 0.00 0.00 0.00 61.98 59.90 3guq s VAL 122 Cb -0.14 -1.85 0.11 0.00 0.00 0.00 0.00 36.38 34.50 3guq s VAL 122 CO 0.03 -0.66 0.49 -0.60 0.00 0.00 0.00 175.10 174.37 3guq s ARG 123 N -3.55 0.40 -0.25 2.72 3.00 -0.92 -1.57 118.95 118.78 3guq s ARG 123 Ca 0.17 1.13 -0.18 0.00 -1.00 0.00 0.00 55.73 55.85 3guq s ARG 123 Cb 0.00 0.46 -0.03 0.00 0.00 0.00 0.00 34.95 35.38 3guq s ARG 123 CO 0.03 -0.26 0.51 0.00 0.00 0.00 0.00 175.30 175.57 3guq s ALA 124 N 2.70 3.58 0.17 6.12 0.00 0.01 -1.15 121.76 133.20 3guq s ALA 124 Ca -0.02 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.37 3guq s ALA 124 Cb -0.12 -2.87 0.03 0.00 0.00 0.00 0.00 23.12 20.16 3guq s ALA 124 CO -0.15 -0.69 1.40 0.00 0.00 0.00 0.00 175.76 176.32 3guq h ARG 125 N 7.93 0.27 0.00 0.00 3.08 -0.83 -3.47 114.38 121.36 3guq h ARG 125 Ca -0.30 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.49 3guq h ARG 125 Cb 1.14 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3guq h ARG 125 CO 0.72 0.95 0.00 0.41 -1.07 0.00 0.00 179.97 180.98 3guq n GLY 126 N 0.74 2.44 3.40 0.04 0.00 -0.88 -5.04 105.19 105.90 3guq n GLY 126 Ca -0.04 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 3guq n GLY 126 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3guq s PHE 127 N -4.74 -0.45 -0.39 1.61 -0.71 -1.26 -1.44 117.98 110.59 3guq s PHE 127 Ca 0.00 0.42 -0.19 0.00 -1.04 0.00 0.00 56.93 56.12 3guq s PHE 127 Cb 0.00 0.40 0.01 0.00 -1.21 0.00 0.00 43.02 42.22 3guq s PHE 127 CO 0.00 -0.70 0.52 0.34 -1.34 0.00 0.00 175.22 174.04 3guq s ASP 128 N -2.22 6.28 0.28 1.98 -1.08 0.28 -4.85 116.67 117.33 3guq s ASP 128 Ca -0.03 -0.29 0.03 0.00 -0.52 0.00 0.00 52.55 51.74 3guq s ASP 128 Cb -0.00 -2.27 0.40 0.00 -1.46 0.00 0.00 42.92 39.59 3guq s ASP 128 CO -0.05 -0.59 1.69 0.07 0.52 0.00 0.00 175.17 176.82 3guq h LYS 129 N 8.65 0.39 0.07 4.34 2.10 -1.99 -1.97 116.57 128.16 3guq h LYS 129 Ca -0.27 -0.17 -0.28 0.00 -2.00 0.00 0.00 60.65 57.93 3guq h LYS 129 Cb 1.11 -0.01 0.02 0.00 -0.90 0.00 0.00 32.23 32.45 3guq h LYS 129 CO 0.81 0.69 -1.15 -0.44 -2.00 0.00 0.00 179.45 177.36 3guq h ASP 130 N 0.34 0.85 -0.87 7.07 3.32 -1.98 0.25 116.42 125.40 3guq h ASP 130 Ca 0.04 -0.74 0.03 0.00 0.02 0.00 0.00 57.03 56.38 3guq h ASP 130 Cb 0.76 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 40.00 3guq h ASP 130 CO 0.06 1.54 0.57 0.00 -1.72 0.00 0.00 179.24 179.70 3guq h ALA 131 N 0.38 1.43 -0.05 3.45 0.00 -1.96 -0.82 119.26 121.69 3guq h ALA 131 Ca -0.16 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3guq h ALA 131 Cb 1.81 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3guq h ALA 131 CO 0.22 0.50 -0.14 1.25 0.00 0.00 0.00 179.25 181.08 3guq h LEU 132 N 1.12 0.21 -1.01 0.00 5.85 -0.93 -1.33 115.31 119.22 3guq h LEU 132 Ca 0.34 -0.60 0.20 0.00 0.84 0.00 0.00 57.88 58.66 3guq h LEU 132 Cb -0.03 -0.06 -0.11 0.00 0.37 0.00 0.00 40.66 40.83 3guq h LEU 132 CO -0.09 0.77 0.61 0.28 -0.34 0.00 0.00 178.44 179.67 3guq h SER 133 N -0.34 0.77 -0.15 1.25 0.02 -0.46 -1.15 113.55 113.50 3guq h SER 133 Ca -0.00 0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 3guq h SER 133 Cb 0.74 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.25 3guq h SER 133 CO 0.03 0.25 -0.36 -0.08 -1.14 0.00 0.00 176.83 175.54 3guq h GLU 134 N 0.74 0.51 -0.54 3.45 4.57 -0.86 -2.20 114.58 120.25 3guq h GLU 134 Ca 0.59 -0.35 -0.03 0.00 -1.18 0.00 0.00 59.36 58.39 3guq h GLU 134 Cb 0.94 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.56 3guq h GLU 134 CO -0.39 0.96 0.21 0.78 -1.18 0.00 0.00 179.01 179.38 3guq h GLY 135 N 0.13 0.84 0.97 1.92 0.00 -0.53 -2.00 103.07 104.40 3guq h GLY 135 Ca -0.00 -0.42 -0.17 0.00 0.00 0.00 0.00 47.33 46.74 3guq h GLY 135 CO 0.08 0.40 -0.56 1.41 0.00 0.00 0.00 176.54 177.86 3guq h LEU 136 N 0.77 0.73 -0.98 3.11 3.38 -1.16 -2.81 115.31 118.35 3guq h LEU 136 Ca 0.18 -0.62 0.01 0.00 0.09 0.00 0.00 57.88 57.54 3guq h LEU 136 Cb 0.16 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3guq h LEU 136 CO -0.02 1.23 0.65 0.45 0.09 0.00 0.00 178.44 180.85 3guq h HIS 137 N 0.27 1.24 0.00 1.13 3.86 -1.18 -2.07 115.15 118.40 3guq h HIS 137 Ca -0.03 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3guq h HIS 137 Cb 1.20 -0.42 -0.00 0.00 1.06 0.00 0.00 27.41 29.25 3guq h HIS 137 CO 0.10 0.77 -0.02 0.87 0.86 0.00 0.00 177.93 180.52 3guq h LYS 138 N 1.33 0.00 -0.56 2.45 1.57 -1.14 -2.33 116.57 117.89 3guq h LYS 138 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 3guq h LYS 138 Cb -0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.16 3guq h LYS 138 CO -0.08 0.02 0.00 0.00 -0.57 0.00 0.00 179.45 178.82 3guq n MET 139 N -3.32 4.18 -1.54 3.15 0.00 -0.79 -4.94 117.12 113.86 3guq n MET 139 Ca -0.02 -3.00 0.00 0.00 0.00 0.00 0.00 57.70 54.68 3guq n MET 139 Cb 0.14 -2.05 0.00 0.00 0.00 0.00 0.00 33.22 31.31 3guq n MET 139 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 3guq n SER 140 N 0.69 -0.93 -4.70 3.17 7.64 -0.87 -5.05 113.62 113.57 3guq n SER 140 Ca 0.26 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.74 3guq n SER 140 Cb 1.03 -0.40 -0.05 0.00 -1.01 0.00 0.00 64.21 63.78 3guq n SER 140 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3guq s LEU 141 N 0.00 4.27 0.11 -3.43 1.02 -1.18 -5.07 118.68 114.40 3guq s LEU 141 Ca 0.00 1.10 -0.03 0.00 0.02 0.00 0.00 54.13 55.22 3guq s LEU 141 Cb 0.00 -3.03 -0.03 0.00 0.02 0.00 0.00 46.19 43.15 3guq s LEU 141 CO 0.00 -0.16 -0.05 0.47 0.02 0.00 0.00 176.35 176.63 3guq n ASP 142 N 4.10 -0.72 -0.08 2.29 9.92 -1.26 -4.51 116.55 126.29 3guq n ASP 142 Ca -0.01 0.09 -0.09 0.00 -0.53 0.00 0.00 54.79 54.25 3guq n ASP 142 Cb 0.51 -0.14 -0.02 0.00 -0.64 0.00 0.00 41.12 40.82 3guq n ASP 142 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 3guq h ASN 143 N -0.04 0.34 0.18 -2.24 2.35 -1.99 -2.06 115.58 112.12 3guq h ASN 143 Ca -0.07 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 3guq h ASN 143 Cb 0.24 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 3guq h ASN 143 CO 0.06 0.30 -0.37 -0.61 -1.65 0.00 0.00 177.43 175.16 3guq h GLN 144 N 0.35 -0.58 -0.87 0.81 4.15 -1.99 -0.55 115.11 116.43 3guq h GLN 144 Ca 0.10 0.04 0.22 0.00 0.77 0.00 0.00 58.65 59.78 3guq h GLN 144 Cb 0.03 0.13 -0.15 0.00 0.21 0.00 0.00 27.48 27.69 3guq h GLN 144 CO -0.02 -0.39 0.03 0.00 -1.93 0.00 0.00 178.83 176.52 3guq h ALA 145 N -0.95 0.98 -0.13 3.38 0.00 -1.93 -1.13 119.26 119.47 3guq h ALA 145 Ca -0.02 0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.99 3guq h ALA 145 Cb 0.57 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3guq h ALA 145 CO -0.15 -0.48 -0.68 -0.39 0.00 0.00 0.00 179.25 177.56 3guq h VAL 146 N 0.08 1.34 -0.40 0.00 -1.51 -1.11 0.64 116.25 115.29 3guq h VAL 146 Ca 0.50 -1.98 0.03 0.00 -1.23 0.00 0.00 66.70 64.02 3guq h VAL 146 Cb 0.95 1.96 -0.03 0.00 -2.13 0.00 0.00 31.29 32.04 3guq h VAL 146 CO -0.78 0.61 0.20 0.28 -1.23 0.00 0.00 177.57 176.66 3guq h SER 147 N 0.39 0.29 -0.21 4.19 0.02 -0.43 0.20 113.55 118.00 3guq h SER 147 Ca -0.02 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 3guq h SER 147 Cb 1.25 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 3guq h SER 147 CO 0.13 0.21 -0.23 0.40 -1.14 0.00 0.00 176.83 176.20 3guq h ILE 148 N 0.41 1.33 -0.30 3.27 2.04 -1.09 -1.06 117.51 122.10 3guq h ILE 148 Ca 0.17 -1.40 -0.03 0.00 1.00 0.00 0.00 64.86 64.60 3guq h ILE 148 Cb 0.08 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 3guq h ILE 148 CO -0.12 0.43 0.07 -0.07 0.00 0.00 0.00 178.15 178.46 3guq h LEU 149 N 0.21 0.46 -0.82 1.44 3.38 -0.64 -0.31 115.31 119.03 3guq h LEU 149 Ca 0.03 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 3guq h LEU 149 Cb 0.78 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3guq h LEU 149 CO 0.06 0.58 -0.09 0.58 0.09 0.00 0.00 178.44 179.65 3guq h VAL 150 N 0.32 1.26 -0.12 1.22 2.07 -0.63 -1.34 116.25 119.04 3guq h VAL 150 Ca 0.09 -1.15 -0.06 0.00 0.82 0.00 0.00 66.70 66.41 3guq h VAL 150 Cb 0.30 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3guq h VAL 150 CO 0.00 0.39 -0.20 0.00 0.02 0.00 0.00 177.57 177.79 3guq h ALA 151 N 1.18 1.46 -0.20 1.67 0.00 -0.61 -1.91 119.26 120.85 3guq h ALA 151 Ca 0.12 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 3guq h ALA 151 Cb 0.57 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3guq h ALA 151 CO 0.04 0.38 -0.53 0.87 0.00 0.00 0.00 179.25 180.01 3guq h LYS 152 N 0.18 0.57 -0.64 0.00 1.79 -0.00 -1.96 116.57 116.51 3guq h LYS 152 Ca 0.03 -0.35 -0.09 0.00 -2.18 0.00 0.00 60.65 58.07 3guq h LYS 152 Cb 0.46 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.12 3guq h LYS 152 CO 0.03 0.95 0.06 0.28 -1.08 0.00 0.00 179.45 179.69 3guq h VAL 153 N 0.44 1.26 -0.46 0.50 2.07 -1.18 -0.41 116.25 118.48 3guq h VAL 153 Ca 0.01 -1.09 0.03 0.00 0.82 0.00 0.00 66.70 66.48 3guq h VAL 153 Cb 1.07 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 3guq h VAL 153 CO 0.10 0.40 0.24 -0.08 0.02 0.00 0.00 177.57 178.26 3guq h GLU 154 N 1.00 0.47 -0.82 1.57 4.81 -1.17 -0.45 114.58 120.00 3guq h GLU 154 Ca 0.19 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.47 3guq h GLU 154 Cb 0.49 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 3guq h GLU 154 CO 0.02 0.31 0.48 0.93 -0.73 0.00 0.00 179.01 180.02 3guq h GLU 155 N 0.48 0.81 -0.88 1.92 5.08 -0.99 -1.26 114.58 119.74 3guq h GLU 155 Ca 0.19 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3guq h GLU 155 Cb 0.08 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 3guq h GLU 155 CO -0.12 0.53 0.52 0.82 -1.00 0.00 0.00 179.01 179.76 3guq h ILE 156 N 0.83 1.25 0.10 3.13 2.04 0.47 -0.37 117.51 124.95 3guq h ILE 156 Ca 0.38 -0.56 -0.27 0.00 1.00 0.00 0.00 64.86 65.40 3guq h ILE 156 Cb 0.29 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.40 3guq h ILE 156 CO -0.22 0.27 -1.17 -0.26 0.00 0.00 0.00 178.15 176.77 3guq h PHE 157 N 1.22 0.72 -0.13 1.37 -1.00 -0.55 -3.01 116.94 115.56 3guq h PHE 157 Ca 0.31 -0.46 -0.08 0.00 2.81 0.00 0.00 57.97 60.55 3guq h PHE 157 Cb -0.03 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 3guq h PHE 157 CO 0.00 1.32 -0.29 0.87 -1.61 0.00 0.00 178.31 178.60 3guq h LYS 158 N 0.19 0.25 0.00 1.51 1.57 -1.09 -2.57 116.57 116.42 3guq h LYS 158 Ca -0.14 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3guq h LYS 158 Cb 1.85 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.14 3guq h LYS 158 CO 0.21 0.53 0.00 -0.25 -0.57 0.00 0.00 179.45 179.36 3guq n ASP 159 N -4.12 0.28 -0.68 0.86 8.00 -0.16 -5.10 116.55 115.62 3guq n ASP 159 Ca -0.01 0.61 0.13 0.00 0.71 0.00 0.00 54.79 56.23 3guq n ASP 159 Cb 0.39 -0.65 0.35 0.00 -0.02 0.00 0.00 41.12 41.19 3guq n ASP 159 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61