#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrm n SER 4 N 0.00 -4.72 -1.56 1.61 7.64 -1.26 -4.97 113.62 110.36 3hrm n SER 4 Ca 0.00 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.23 3hrm n SER 4 Cb 0.00 -3.48 0.00 0.00 -1.01 0.00 0.00 64.21 59.72 3hrm n SER 4 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3hrm n HIS 5 N -2.59 0.00 0.00 1.43 -0.00 -1.26 -1.05 115.22 111.75 3hrm n HIS 5 Ca -0.14 -0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.57 3hrm n HIS 5 Cb 0.47 -0.19 0.00 0.00 -0.00 0.00 0.00 29.99 30.27 3hrm n HIS 5 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.34 177.32 3hrm n TYR 7 N 1.56 0.00 -0.05 4.41 9.36 -1.26 -0.24 117.16 130.94 3hrm n TYR 7 Ca 0.00 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.11 3hrm n TYR 7 Cb 0.00 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 38.66 3hrm n TYR 7 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3hrm h LEU 8 N 0.00 0.25 -0.48 2.98 3.38 -1.47 -2.05 115.31 117.92 3hrm h LEU 8 Ca 0.00 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 57.87 3hrm h LEU 8 Cb 0.00 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 3hrm h LEU 8 CO 0.00 0.37 0.02 0.28 0.09 0.00 0.00 178.44 179.20 3hrm h SER 9 N 0.11 -0.17 -0.71 -0.43 0.02 -0.85 0.45 113.55 111.98 3hrm h SER 9 Ca 0.06 0.11 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 3hrm h SER 9 Cb 0.20 0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 3hrm h SER 9 CO -0.00 -0.05 0.46 0.11 -1.14 0.00 0.00 176.83 176.21 3hrm h LYS 10 N 0.13 0.90 -0.62 3.45 1.57 -1.74 -2.70 116.57 117.57 3hrm h LYS 10 Ca 0.24 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 3hrm h LYS 10 Cb 0.36 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3hrm h LYS 10 CO -0.39 0.59 0.02 1.96 -0.57 0.00 0.00 179.45 181.07 3hrm h GLN 11 N 0.92 1.07 -1.14 3.15 1.08 -0.54 -1.33 115.11 118.33 3hrm h GLN 11 Ca 0.27 -0.33 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3hrm h GLN 11 Cb -0.06 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.27 3hrm h GLN 11 CO -0.08 1.03 0.00 1.28 -0.95 0.00 0.00 178.83 180.11 3hrm n LEU 12 N -4.20 0.55 0.00 1.46 4.77 0.04 -1.40 117.00 118.22 3hrm n LEU 12 Ca 0.03 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 3hrm n LEU 12 Cb 0.33 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3hrm n LEU 12 CO 0.44 0.10 0.00 0.33 -1.33 0.00 0.00 177.39 176.93 3hrm n PHE 14 N 0.67 0.00 -0.13 -1.77 7.35 -0.50 -1.10 117.46 121.97 3hrm n PHE 14 Ca 0.00 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.72 3hrm n PHE 14 Cb 0.10 0.00 0.33 0.00 0.35 0.00 0.00 39.48 40.26 3hrm n PHE 14 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3hrm h LEU 15 N 0.00 0.68 -0.33 -2.13 3.38 -1.50 0.22 115.31 115.63 3hrm h LEU 15 Ca 0.00 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 3hrm h LEU 15 Cb 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3hrm h LEU 15 CO 0.00 0.48 -0.67 -0.26 0.09 0.00 0.00 178.44 178.08 3hrm h PHE 16 N 0.80 0.87 0.24 1.13 0.04 -1.35 -0.03 116.94 118.63 3hrm h PHE 16 Ca 0.23 -0.35 -0.01 0.00 2.80 0.00 0.00 57.97 60.64 3hrm h PHE 16 Cb -0.03 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 37.97 3hrm h PHE 16 CO -0.00 1.14 -0.11 -0.92 -0.60 0.00 0.00 178.31 177.82 3hrm h TYR 17 N 0.48 -0.29 -0.80 -0.55 3.20 -1.59 -2.19 116.97 115.23 3hrm h TYR 17 Ca -0.02 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 3hrm h TYR 17 Cb 1.27 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 39.59 3hrm h TYR 17 CO 0.06 -0.03 0.48 0.28 -1.64 0.00 0.00 178.16 177.31 3hrm h VAL 18 N -0.53 1.22 -0.47 1.81 2.07 -0.60 -2.35 116.25 117.41 3hrm h VAL 18 Ca -0.03 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 3hrm h VAL 18 Cb 0.39 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3hrm h VAL 18 CO 0.05 0.23 0.29 0.28 0.02 0.00 0.00 177.57 178.45 3hrm h SER 19 N 1.09 0.55 -0.56 0.57 0.02 -0.96 -0.96 113.55 113.31 3hrm h SER 19 Ca 0.29 -0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 61.10 3hrm h SER 19 Cb -0.04 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 3hrm h SER 19 CO -0.05 0.43 -0.02 0.77 -1.14 0.00 0.00 176.83 176.82 3hrm h SER 20 N 0.62 0.98 -0.27 3.07 4.64 -1.25 -1.35 113.55 119.99 3hrm h SER 20 Ca 0.17 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3hrm h SER 20 Cb -0.03 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 3hrm h SER 20 CO -0.03 1.06 0.18 0.11 -0.87 0.00 0.00 176.83 177.27 3hrm h LYS 21 N 0.88 0.36 -0.64 4.77 1.79 -1.18 0.15 116.57 122.70 3hrm h LYS 21 Ca 0.15 -0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.55 3hrm h LYS 21 Cb 0.57 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.11 3hrm h LYS 21 CO 0.03 0.25 0.18 0.93 -1.08 0.00 0.00 179.45 179.76 3hrm h GLU 22 N 0.36 1.01 0.26 3.15 5.08 -1.07 -0.26 114.58 123.11 3hrm h GLU 22 Ca 0.10 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 3hrm h GLU 22 Cb -0.03 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.08 3hrm h GLU 22 CO -0.02 0.90 -0.12 0.82 -1.00 0.00 0.00 179.01 179.58 3hrm h ILE 23 N 0.93 0.79 -0.30 3.13 2.04 -0.96 -2.51 117.51 120.64 3hrm h ILE 23 Ca 0.20 -0.44 0.06 0.00 1.00 0.00 0.00 64.86 65.69 3hrm h ILE 23 Cb 0.32 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 3hrm h ILE 23 CO -0.00 0.09 -0.11 0.40 0.00 0.00 0.00 178.15 178.53 3hrm h ILE 24 N -0.58 0.63 -0.63 -0.67 2.04 -0.63 -1.71 117.51 115.96 3hrm h ILE 24 Ca -0.04 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.95 3hrm h ILE 24 Cb 0.42 0.63 -0.09 0.00 -0.74 0.00 0.00 36.82 37.04 3hrm h ILE 24 CO 0.06 0.00 0.15 0.50 0.00 0.00 0.00 178.15 178.86 3hrm h LYS 25 N -0.05 0.27 -0.11 2.37 3.64 -1.01 0.74 116.57 122.42 3hrm h LYS 25 Ca 0.15 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 3hrm h LYS 25 Cb 0.27 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3hrm h LYS 25 CO -0.34 0.18 -0.28 0.87 -2.27 0.00 0.00 179.45 177.61 3hrm h LYS 26 N 0.28 0.20 -0.18 1.90 1.57 -0.93 -2.93 116.57 116.48 3hrm h LYS 26 Ca 0.34 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.91 3hrm h LYS 26 Cb 0.51 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3hrm h LYS 26 CO -0.42 0.47 -0.44 1.88 -0.57 0.00 0.00 179.45 180.38 3hrm h TYR 27 N 0.18 0.79 -0.88 -1.35 -1.99 -0.28 -3.14 116.97 110.31 3hrm h TYR 27 Ca 0.03 -0.30 0.17 0.00 2.00 0.00 0.00 58.73 60.63 3hrm h TYR 27 Cb 0.60 -0.14 -0.10 0.00 2.00 0.00 0.00 36.73 39.08 3hrm h TYR 27 CO 0.01 1.07 0.45 1.15 -0.00 0.00 0.00 178.16 180.83 3hrm h THR 28 N 0.29 0.65 0.15 -2.88 2.02 -0.74 0.57 112.91 112.97 3hrm h THR 28 Ca -0.00 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 66.99 3hrm h THR 28 Cb 1.05 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3hrm h THR 28 CO 0.10 0.11 -0.20 -1.13 0.37 0.00 0.00 175.52 174.77 3hrm h ASN 29 N 0.58 -0.53 0.28 4.18 -1.24 -1.48 -2.18 115.58 115.19 3hrm h ASN 29 Ca 0.51 0.06 -0.12 0.00 0.71 0.00 0.00 56.30 57.46 3hrm h ASN 29 Cb 0.80 0.19 -0.01 0.00 0.73 0.00 0.00 38.32 40.04 3hrm h ASN 29 CO -0.41 -0.28 -0.46 1.88 -1.29 0.00 0.00 177.43 176.86 3hrm h TYR 30 N -0.40 0.27 0.00 0.67 0.05 -1.35 -3.19 116.97 113.01 3hrm h TYR 30 Ca 0.01 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 3hrm h TYR 30 Cb 0.40 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 38.08 3hrm h TYR 30 CO -0.17 0.65 -0.02 -0.07 -1.05 0.00 0.00 178.16 177.50 3hrm h LEU 31 N 0.18 0.00 -1.08 3.88 3.38 -0.78 -3.25 115.31 117.64 3hrm h LEU 31 Ca 0.01 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.10 3hrm h LEU 31 Cb 0.89 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.56 3hrm h LEU 31 CO 0.07 0.02 0.62 0.11 0.09 0.00 0.00 178.44 179.35 3hrm h LYS 32 N 0.00 0.92 0.00 1.13 1.57 -1.38 0.26 116.57 119.07 3hrm h LYS 32 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3hrm h LYS 32 Cb 0.85 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3hrm h LYS 32 CO 0.00 0.61 0.00 0.39 -0.57 0.00 0.00 179.45 179.88 3hrm n GLU 33 N -4.59 0.10 -0.00 3.15 1.02 -1.23 -1.20 120.64 117.90 3hrm n GLU 33 Ca 0.18 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 3hrm n GLU 33 Cb 0.36 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.29 3hrm n GLU 33 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3hrm n TYR 34 N -1.33 0.01 -3.48 -0.32 4.01 0.02 -5.00 117.16 111.07 3hrm n TYR 34 Ca 0.04 -0.12 -0.21 0.00 -0.16 0.00 0.00 57.90 57.44 3hrm n TYR 34 Cb 0.08 -0.01 0.07 0.00 -0.31 0.00 0.00 39.34 39.17 3hrm n TYR 34 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3hrm n ASP 35 N -0.07 -5.88 -4.23 7.72 2.03 -0.34 -5.01 116.55 110.77 3hrm n ASP 35 Ca 0.01 -0.49 -0.21 0.00 0.52 0.00 0.00 54.79 54.62 3hrm n ASP 35 Cb 0.08 -4.58 -0.12 0.00 -0.72 0.00 0.00 41.12 35.78 3hrm n ASP 35 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hrm s LEU 36 N -6.66 2.29 0.43 -2.67 1.43 -0.97 -5.04 118.68 107.49 3hrm s LEU 36 Ca 0.52 -0.65 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 3hrm s LEU 36 Cb -0.23 -0.72 0.01 0.00 0.03 0.00 0.00 46.19 45.28 3hrm s LEU 36 CO 0.66 -0.00 0.60 0.42 0.23 0.00 0.00 176.35 178.26 3hrm s THR 37 N -1.21 3.32 0.15 5.49 -4.23 -1.26 -4.23 115.64 113.66 3hrm s THR 37 Ca 0.03 -0.86 -0.18 0.00 -1.18 0.00 0.00 61.69 59.50 3hrm s THR 37 Cb -0.10 -3.16 0.01 0.00 1.34 0.00 0.00 72.50 70.59 3hrm s THR 37 CO 0.03 -0.08 1.72 0.22 -0.54 0.00 0.00 174.62 175.97 3hrm h TYR 38 N 0.54 0.04 -0.20 3.99 3.20 -1.93 -0.97 116.97 121.64 3hrm h TYR 38 Ca -0.43 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.39 3hrm h TYR 38 Cb 1.27 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.56 3hrm h TYR 38 CO 0.41 -0.02 -0.19 1.15 -1.64 0.00 0.00 178.16 177.87 3hrm h THR 39 N 0.12 1.23 -0.23 1.81 2.02 -1.99 -0.49 112.91 115.38 3hrm h THR 39 Ca 0.14 -1.04 -0.15 0.00 0.77 0.00 0.00 66.41 66.13 3hrm h THR 39 Cb 0.17 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3hrm h THR 39 CO -0.21 0.33 -0.47 1.23 0.37 0.00 0.00 175.52 176.76 3hrm h GLY 40 N 0.92 0.66 0.93 2.16 0.00 -1.85 -1.29 103.07 104.60 3hrm h GLY 40 Ca 0.06 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 3hrm h GLY 40 CO 0.03 0.64 0.13 -1.82 0.00 0.00 0.00 176.54 175.53 3hrm h TYR 41 N 0.48 0.54 -0.43 5.60 3.20 -0.76 -1.74 116.97 123.85 3hrm h TYR 41 Ca 0.03 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.86 3hrm h TYR 41 Cb 1.01 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 3hrm h TYR 41 CO 0.04 0.50 0.28 0.82 -1.64 0.00 0.00 178.16 178.17 3hrm h ILE 42 N 0.42 1.09 -0.31 1.81 1.08 -0.88 -2.82 117.51 117.90 3hrm h ILE 42 Ca 0.12 -0.19 0.03 0.00 -0.39 0.00 0.00 64.86 64.42 3hrm h ILE 42 Cb 0.20 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 34.40 3hrm h ILE 42 CO -0.01 0.10 0.13 0.58 -0.69 0.00 0.00 178.15 178.27 3hrm h VAL 43 N 0.57 0.96 0.00 1.67 2.07 -1.04 0.03 116.25 120.50 3hrm h VAL 43 Ca 0.16 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3hrm h VAL 43 Cb -0.04 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3hrm h VAL 43 CO -0.05 0.05 0.00 0.18 0.02 0.00 0.00 177.57 177.77 3hrm n LEU 44 N -4.99 0.14 0.00 2.57 4.77 -0.67 -2.22 117.00 116.60 3hrm n LEU 44 Ca -0.00 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3hrm n LEU 44 Cb 0.09 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3hrm n LEU 44 CO 0.30 0.03 0.00 0.00 -1.33 0.00 0.00 177.39 176.38 3hrm n ALA 46 N 0.69 0.00 -3.38 -1.18 0.00 -0.00 -4.75 120.51 111.89 3hrm n ALA 46 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 3hrm n ALA 46 Cb 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.43 3hrm n ALA 46 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hrm s ILE 47 N 0.00 5.16 0.56 0.00 1.01 -0.94 -5.06 121.20 121.94 3hrm s ILE 47 Ca 0.00 -2.06 -0.19 0.00 0.00 0.00 0.00 60.65 58.40 3hrm s ILE 47 Cb 0.00 -4.27 -0.07 0.00 0.01 0.00 0.00 42.46 38.13 3hrm s ILE 47 CO 0.00 -0.93 0.79 -0.62 0.00 0.00 0.00 174.94 174.19 3hrm n GLU 48 N 4.53 0.80 -1.83 2.79 1.02 -1.26 -4.83 120.64 121.86 3hrm n GLU 48 Ca 0.00 0.31 -0.42 0.00 -0.02 0.00 0.00 57.16 57.03 3hrm n GLU 48 Cb 0.43 -1.96 -0.02 0.00 -0.02 0.00 0.00 31.44 29.87 3hrm n GLU 48 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3hrm s ASN 49 N -1.14 6.44 -0.94 1.62 0.01 -1.26 -2.99 114.94 116.68 3hrm s ASN 49 Ca 0.71 2.86 -0.05 0.00 -0.71 0.00 0.00 52.86 55.67 3hrm s ASN 49 Cb -0.45 -2.62 -0.05 0.00 0.41 0.00 0.00 41.25 38.53 3hrm s ASN 49 CO 0.51 -0.88 0.82 -0.67 -1.51 0.00 0.00 177.10 175.37 3hrm n ASP 50 N 2.66 -5.66 -3.92 -1.22 -0.08 -1.26 -5.03 116.55 102.04 3hrm n ASP 50 Ca 0.10 -0.62 -0.23 0.00 -1.51 0.00 0.00 54.79 52.53 3hrm n ASP 50 Cb 0.38 -4.64 -0.17 0.00 2.34 0.00 0.00 41.12 39.03 3hrm n ASP 50 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 3hrm s GLU 51 N -4.33 1.17 -0.65 -0.67 2.12 -1.16 -5.09 118.70 110.09 3hrm s GLU 51 Ca 0.36 -0.19 -0.11 0.00 0.36 0.00 0.00 54.97 55.39 3hrm s GLU 51 Cb -0.05 -1.14 0.17 0.00 0.26 0.00 0.00 34.13 33.37 3hrm s GLU 51 CO 0.65 -0.11 0.55 0.21 -0.54 0.00 0.00 175.26 176.02 3hrm s LYS 52 N 1.10 3.00 0.15 4.30 2.20 -1.26 -4.29 119.74 124.94 3hrm s LYS 52 Ca -0.08 -2.19 0.04 0.00 -0.36 0.00 0.00 55.97 53.38 3hrm s LYS 52 Cb -0.14 -4.13 -0.04 0.00 -1.51 0.00 0.00 37.83 32.01 3hrm s LYS 52 CO -0.01 -1.25 0.20 -0.51 -0.36 0.00 0.00 175.35 173.43 3hrm s LEU 53 N 0.63 4.06 0.08 5.43 1.43 -0.52 -4.84 118.68 124.95 3hrm s LEU 53 Ca 0.12 0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.18 3hrm s LEU 53 Cb -0.19 -2.65 -0.05 0.00 0.03 0.00 0.00 46.19 43.32 3hrm s LEU 53 CO -0.04 0.06 0.33 0.54 0.23 0.00 0.00 176.35 177.48 3hrm s ASN 54 N -3.14 6.51 0.36 2.29 2.20 -1.25 0.23 114.94 122.13 3hrm s ASN 54 Ca 0.33 0.59 0.13 0.00 -0.94 0.00 0.00 52.86 52.96 3hrm s ASN 54 Cb -0.11 -2.09 0.97 0.00 -2.00 0.00 0.00 41.25 38.02 3hrm s ASN 54 CO 0.26 0.14 1.77 -0.29 -2.94 0.00 0.00 177.10 176.04 3hrm h ILE 55 N 2.48 0.58 -0.33 0.54 2.10 -1.56 -1.23 117.51 120.09 3hrm h ILE 55 Ca -0.48 -0.18 -0.00 0.00 1.08 0.00 0.00 64.86 65.28 3hrm h ILE 55 Cb 1.18 0.00 -0.02 0.00 -1.09 0.00 0.00 36.82 36.90 3hrm h ILE 55 CO 0.70 0.10 0.20 0.11 -1.08 0.00 0.00 178.15 178.17 3hrm h LYS 56 N 0.53 0.45 -0.30 2.19 1.57 -1.94 0.78 116.57 119.84 3hrm h LYS 56 Ca 0.60 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 59.27 3hrm h LYS 56 Cb 1.28 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 3hrm h LYS 56 CO -0.36 0.34 -0.11 -0.22 -0.57 0.00 0.00 179.45 178.53 3hrm h LYS 57 N 0.43 0.50 -0.37 3.15 3.64 -1.65 -2.46 116.57 119.81 3hrm h LYS 57 Ca 0.12 -0.14 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 3hrm h LYS 57 Cb 0.00 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3hrm h LYS 57 CO -0.02 0.61 -0.17 1.25 -2.27 0.00 0.00 179.45 178.85 3hrm h LEU 58 N 0.46 0.78 -1.68 5.20 5.85 -0.99 -2.32 115.31 122.62 3hrm h LEU 58 Ca 0.09 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3hrm h LEU 58 Cb 0.48 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3hrm h LEU 58 CO 0.03 1.01 0.00 1.23 -0.34 0.00 0.00 178.44 180.37 3hrm h GLY 59 N 0.55 0.00 0.78 3.75 0.00 -0.45 -1.65 103.07 106.05 3hrm h GLY 59 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.06 3hrm h GLY 59 CO 0.05 0.00 -1.87 -2.09 0.00 0.00 0.00 176.54 172.63 3hrm h GLU 60 N 0.00 0.27 -0.34 4.80 4.81 -1.15 -0.18 114.58 122.79 3hrm h GLU 60 Ca 0.00 -0.46 -0.08 0.00 -0.13 0.00 0.00 59.36 58.69 3hrm h GLU 60 Cb 0.20 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3hrm h GLU 60 CO 0.00 1.16 -0.10 -0.09 -0.73 0.00 0.00 179.01 179.25 3hrm h ARG 61 N 0.07 0.66 -0.66 1.92 2.43 -0.90 -3.12 114.38 114.78 3hrm h ARG 61 Ca -0.38 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 3hrm h ARG 61 Cb 2.05 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.56 3hrm h ARG 61 CO 0.12 0.84 0.00 1.33 -1.51 0.00 0.00 179.97 180.75 3hrm n VAL 62 N -4.41 1.72 -3.90 0.20 0.24 -0.67 -4.97 118.33 106.54 3hrm n VAL 62 Ca -0.02 -1.12 -0.28 0.00 -2.04 0.00 0.00 64.34 60.88 3hrm n VAL 62 Cb 0.35 0.12 0.02 0.00 -1.47 0.00 0.00 33.84 32.85 3hrm n VAL 62 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3hrm n PHE 63 N 1.12 -2.05 -5.13 6.34 3.72 -1.13 -4.98 117.46 115.34 3hrm n PHE 63 Ca 0.25 0.86 -0.30 0.00 -0.05 0.00 0.00 57.45 58.20 3hrm n PHE 63 Cb 0.85 -3.94 -0.17 0.00 -0.94 0.00 0.00 39.48 35.29 3hrm n PHE 63 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hrm s LEU 64 N -7.09 2.02 0.59 4.37 1.43 -0.09 -5.02 118.68 114.89 3hrm s LEU 64 Ca 0.42 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.87 3hrm s LEU 64 Cb -0.21 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 3hrm s LEU 64 CO 0.84 0.18 1.05 1.51 0.23 0.00 0.00 176.35 180.16 3hrm s ASP 65 N 0.12 5.91 0.48 2.29 1.47 -1.26 -4.47 116.67 121.20 3hrm s ASP 65 Ca -0.10 1.76 0.25 0.00 1.18 0.00 0.00 52.55 55.64 3hrm s ASP 65 Cb -0.15 -2.53 1.31 0.00 -0.34 0.00 0.00 42.92 41.21 3hrm s ASP 65 CO 0.05 -1.08 1.87 -1.28 0.68 0.00 0.00 175.17 175.41 3hrm h SER 66 N 0.45 0.18 -0.96 2.11 0.87 -1.95 -0.67 113.55 113.57 3hrm h SER 66 Ca -0.47 0.02 0.09 0.00 -1.23 0.00 0.00 61.79 60.21 3hrm h SER 66 Cb 1.21 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 63.09 3hrm h SER 66 CO 0.58 0.07 0.61 1.23 -0.53 0.00 0.00 176.83 178.78 3hrm h GLY 67 N 0.18 1.52 0.47 5.77 0.00 -2.01 0.50 103.07 109.50 3hrm h GLY 67 Ca 0.45 -0.42 -0.35 0.00 0.00 0.00 0.00 47.33 47.01 3hrm h GLY 67 CO -0.09 0.23 -2.09 -1.30 0.00 0.00 0.00 176.54 173.29 3hrm n THR 68 N -4.60 1.57 0.16 4.70 -2.24 -0.45 -4.33 114.28 109.09 3hrm n THR 68 Ca 0.16 -0.75 -0.14 0.00 -2.27 0.00 0.00 64.05 61.06 3hrm n THR 68 Cb 0.27 -1.09 -0.08 0.00 -2.10 0.00 0.00 70.33 67.33 3hrm n THR 68 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3hrm h LEU 69 N 0.02 -0.31 -0.54 3.22 6.46 -1.04 -2.36 115.31 120.77 3hrm h LEU 69 Ca -0.44 -0.09 0.10 0.00 -0.12 0.00 0.00 57.88 57.33 3hrm h LEU 69 Cb 2.06 0.08 -0.11 0.00 -0.73 0.00 0.00 40.66 41.97 3hrm h LEU 69 CO 0.04 -0.09 -0.31 0.74 -0.62 0.00 0.00 178.44 178.20 3hrm h THR 70 N -0.51 0.21 -0.38 1.05 2.02 -1.12 0.29 112.91 114.48 3hrm h THR 70 Ca -0.04 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 3hrm h THR 70 Cb 0.38 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 3hrm h THR 70 CO 0.06 0.00 -0.04 -0.65 0.37 0.00 0.00 175.52 175.26 3hrm h PRO 71 N -0.17 0.62 -0.57 6.66 0.11 -1.75 -2.01 132.00 134.89 3hrm h PRO 71 Ca 0.22 -0.16 -0.04 0.00 0.11 0.00 0.00 66.00 66.13 3hrm h PRO 71 Cb 0.54 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 3hrm h PRO 71 CO -0.63 0.67 0.18 1.25 -0.21 0.00 0.00 178.00 179.26 3hrm h LEU 72 N 0.58 0.82 -1.03 2.35 6.46 -0.49 -1.08 115.31 122.92 3hrm h LEU 72 Ca 0.12 -0.20 -0.09 0.00 -0.12 0.00 0.00 57.88 57.58 3hrm h LEU 72 Cb 0.43 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 3hrm h LEU 72 CO 0.02 0.81 -0.27 -0.07 -0.62 0.00 0.00 178.44 178.30 3hrm h LEU 73 N 0.80 0.36 -0.29 2.25 3.38 -0.23 -0.39 115.31 121.18 3hrm h LEU 73 Ca 0.18 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3hrm h LEU 73 Cb 0.27 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3hrm h LEU 73 CO -0.01 0.63 0.04 0.11 0.09 0.00 0.00 178.44 179.31 3hrm h LYS 74 N 0.32 0.48 0.15 1.13 1.57 -0.94 0.21 116.57 119.49 3hrm h LYS 74 Ca 0.05 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3hrm h LYS 74 Cb 0.65 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 3hrm h LYS 74 CO 0.05 0.59 -0.17 -0.22 -0.57 0.00 0.00 179.45 179.13 3hrm h LYS 75 N 0.30 -0.35 0.00 3.15 3.64 -0.83 0.14 116.57 122.62 3hrm h LYS 75 Ca 0.09 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3hrm h LYS 75 Cb 0.35 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3hrm h LYS 75 CO 0.01 -0.23 0.00 1.28 -2.27 0.00 0.00 179.45 178.24 3hrm n LEU 76 N -5.29 0.11 0.05 5.20 4.77 -0.19 -2.32 117.00 119.33 3hrm n LEU 76 Ca -0.07 0.53 -0.09 0.00 -0.03 0.00 0.00 56.01 56.34 3hrm n LEU 76 Cb 0.21 -0.52 -0.07 0.00 -2.33 0.00 0.00 43.42 40.71 3hrm n LEU 76 CO 0.30 -0.37 0.33 -0.08 -1.33 0.00 0.00 177.39 176.23 3hrm h GLU 77 N 0.00 -0.21 0.07 3.23 4.57 0.14 0.89 114.58 123.28 3hrm h GLU 77 Ca 0.00 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3hrm h GLU 77 Cb 0.20 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 3hrm h GLU 77 CO 0.00 0.18 -0.04 1.57 -1.18 0.00 0.00 179.01 179.54 3hrm h LYS 78 N -0.93 -0.10 0.00 1.92 2.10 -1.09 -0.35 116.57 118.13 3hrm h LYS 78 Ca -0.02 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 3hrm h LYS 78 Cb 0.49 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 3hrm h LYS 78 CO 0.04 0.09 0.10 1.63 -2.00 0.00 0.00 179.45 179.31 3hrm n LYS 79 N -5.05 0.05 -3.21 0.07 5.02 -0.98 -4.81 118.16 109.25 3hrm n LYS 79 Ca -0.08 0.50 -0.10 0.00 -2.02 0.00 0.00 58.31 56.62 3hrm n LYS 79 Cb 0.14 -1.77 0.04 0.00 -0.02 0.00 0.00 35.03 33.41 3hrm n LYS 79 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3hrm n ASP 80 N -1.75 -7.04 -0.00 4.39 2.03 -0.14 -4.96 116.55 109.08 3hrm n ASP 80 Ca -0.01 -0.46 0.01 0.00 0.52 0.00 0.00 54.79 54.86 3hrm n ASP 80 Cb 0.11 -5.06 -0.02 0.00 -0.72 0.00 0.00 41.12 35.43 3hrm n ASP 80 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3hrm n TYR 81 N -2.64 0.00 -4.14 -0.67 4.01 0.29 -4.30 117.16 109.72 3hrm n TYR 81 Ca -0.05 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.60 3hrm n TYR 81 Cb 0.57 -0.04 -0.10 0.00 -0.31 0.00 0.00 39.34 39.46 3hrm n TYR 81 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3hrm s VAL 82 N -1.99 0.47 -0.24 -0.72 -7.23 -1.09 -1.92 120.40 107.69 3hrm s VAL 82 Ca -0.01 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.30 3hrm s VAL 82 Cb 0.01 -1.64 0.06 0.00 0.56 0.00 0.00 36.38 35.37 3hrm s VAL 82 CO 0.09 -0.90 -0.09 0.68 -0.31 0.00 0.00 175.10 174.57 3hrm s VAL 83 N -3.76 1.82 -0.83 1.32 -7.23 0.20 -4.62 120.40 107.30 3hrm s VAL 83 Ca 0.10 -1.37 -0.20 0.00 -1.81 0.00 0.00 61.98 58.71 3hrm s VAL 83 Cb 0.07 -1.99 0.12 0.00 0.56 0.00 0.00 36.38 35.13 3hrm s VAL 83 CO -0.07 -0.03 1.03 -0.13 -0.31 0.00 0.00 175.10 175.60 3hrm s ARG 84 N 1.27 3.42 -0.05 4.82 0.52 -1.26 -3.13 118.95 124.54 3hrm s ARG 84 Ca -0.06 -1.51 0.18 0.00 -0.52 0.00 0.00 55.73 53.81 3hrm s ARG 84 Cb -0.19 -4.67 -0.22 0.00 0.52 0.00 0.00 34.95 30.40 3hrm s ARG 84 CO -0.06 -1.74 0.50 0.25 0.02 0.00 0.00 175.30 174.26 3hrm n THR 85 N 5.56 1.06 -3.97 0.02 -2.24 -1.26 -4.98 114.28 108.46 3hrm n THR 85 Ca 0.13 -0.72 -0.35 0.00 -2.27 0.00 0.00 64.05 60.84 3hrm n THR 85 Cb 0.47 -0.53 -0.12 0.00 -2.10 0.00 0.00 70.33 68.06 3hrm n THR 85 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hrm s LEU 94 N -5.46 3.35 -0.04 3.22 0.20 -1.26 -4.87 118.68 113.82 3hrm s LEU 94 Ca -0.06 -0.18 -0.21 0.00 0.69 0.00 0.00 54.13 54.37 3hrm s LEU 94 Cb 0.09 -1.87 -0.05 0.00 -0.43 0.00 0.00 46.19 43.94 3hrm s LEU 94 CO 0.84 0.04 0.60 -1.10 -0.29 0.00 0.00 176.35 176.44 3hrm s GLN 95 N 1.14 4.35 0.05 1.98 -1.52 -1.26 -1.27 119.66 123.13 3hrm s GLN 95 Ca 0.03 0.71 0.09 0.00 -1.95 0.00 0.00 55.36 54.24 3hrm s GLN 95 Cb -0.14 -3.39 -0.03 0.00 -0.22 0.00 0.00 33.01 29.23 3hrm s GLN 95 CO 0.02 0.24 -0.25 0.42 -0.25 0.00 0.00 175.29 175.48 3hrm s ILE 96 N 0.24 2.02 0.21 1.08 1.01 0.64 -4.27 121.20 122.13 3hrm s ILE 96 Ca 0.32 -1.37 -0.22 0.00 0.00 0.00 0.00 60.65 59.37 3hrm s ILE 96 Cb -0.17 -1.74 0.05 0.00 0.01 0.00 0.00 42.46 40.61 3hrm s ILE 96 CO 0.16 0.30 0.66 -0.94 0.00 0.00 0.00 174.94 175.12 3hrm s SER 97 N -1.29 -0.43 0.23 3.58 1.04 -1.18 -1.44 113.70 114.21 3hrm s SER 97 Ca 0.11 -0.27 -0.24 0.00 0.48 0.00 0.00 55.95 56.03 3hrm s SER 97 Cb -0.10 0.65 -0.09 0.00 0.10 0.00 0.00 66.02 66.59 3hrm s SER 97 CO 0.02 -1.12 0.82 -0.76 0.98 0.00 0.00 173.24 173.18 3hrm s LEU 98 N -2.82 4.45 0.00 2.42 1.43 -1.26 0.60 118.68 123.49 3hrm s LEU 98 Ca 0.05 1.64 -0.08 0.00 -1.03 0.00 0.00 54.13 54.72 3hrm s LEU 98 Cb -0.03 -3.61 0.11 0.00 0.03 0.00 0.00 46.19 42.69 3hrm s LEU 98 CO -0.04 0.07 0.67 0.35 0.23 0.00 0.00 176.35 177.63 3hrm n THR 99 N 1.01 0.00 -0.03 5.49 -2.24 -0.81 -4.73 114.28 112.97 3hrm n THR 99 Ca -0.02 -0.49 -0.14 0.00 -2.27 0.00 0.00 64.05 61.13 3hrm n THR 99 Cb 0.50 -1.75 -0.10 0.00 -2.10 0.00 0.00 70.33 66.87 3hrm n THR 99 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3hrm h GLU 100 N 0.00 0.13 0.00 -0.78 4.39 -1.90 0.17 114.58 116.59 3hrm h GLU 100 Ca -0.22 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.36 3hrm h GLU 100 Cb 0.60 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3hrm h GLU 100 CO 0.15 0.77 -0.06 -0.56 -1.16 0.00 0.00 179.01 178.16 3hrm h GLN 101 N -0.48 0.00 -0.00 2.33 3.07 -1.94 -2.02 115.11 116.07 3hrm h GLN 101 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.61 3hrm h GLN 101 Cb 0.80 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.36 3hrm h GLN 101 CO 0.03 0.06 -0.46 0.78 0.09 0.00 0.00 178.83 179.32 3hrm h GLY 102 N 1.89 0.35 2.00 0.06 0.00 -1.70 -3.02 103.07 102.64 3hrm h GLY 102 Ca -0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 3hrm h GLY 102 CO 0.01 0.54 -0.08 0.50 0.00 0.00 0.00 176.54 177.51 3hrm h LYS 103 N -0.26 0.00 0.57 4.80 1.57 -0.37 -3.20 116.57 119.67 3hrm h LYS 103 Ca -0.06 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3hrm h LYS 103 Cb 1.19 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.50 3hrm h LYS 103 CO 0.09 0.08 -0.27 0.00 -0.57 0.00 0.00 179.45 178.78 3hrm h ALA 104 N 1.92 -0.93 0.00 3.86 0.00 -1.26 -3.21 119.26 119.64 3hrm h ALA 104 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hrm h ALA 104 Cb 0.26 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hrm h ALA 104 CO 0.01 -0.87 0.34 -0.84 0.00 0.00 0.00 179.25 177.88 3hrm h ILE 105 N -0.97 0.00 -0.00 0.00 3.07 -1.52 -2.02 117.51 116.07 3hrm h ILE 105 Ca -0.08 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.33 3hrm h ILE 105 Cb 0.58 0.64 -0.00 0.00 -0.27 0.00 0.00 36.82 37.78 3hrm h ILE 105 CO 0.13 0.00 0.10 0.11 -1.05 0.00 0.00 178.15 177.43 3hrm h LYS 106 N 0.00 0.00 0.01 0.16 1.57 -1.63 -0.32 116.57 116.36 3hrm h LYS 106 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hrm h LYS 106 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3hrm h LYS 106 CO 0.00 0.00 -0.00 0.66 -0.57 0.00 0.00 179.45 179.54 3hrm h SER 107 N 0.00 -0.01 0.68 0.86 4.64 -1.58 -2.71 113.55 115.44 3hrm h SER 107 Ca 0.00 -0.76 -0.09 0.00 -0.47 0.00 0.00 61.79 60.47 3hrm h SER 107 Cb 0.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 3hrm h SER 107 CO -0.00 0.85 -0.41 1.55 -0.87 0.00 0.00 176.83 177.96 3hrm h PRO 108 N -0.97 0.00 -0.23 4.77 0.13 -1.67 -2.66 132.00 131.37 3hrm h PRO 108 Ca -0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.99 3hrm h PRO 108 Cb 0.77 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 3hrm h PRO 108 CO 0.00 0.41 -0.42 -0.07 -0.23 0.00 0.00 178.00 177.68 3hrm h LEU 109 N 0.00 0.59 -2.46 1.56 3.38 -1.19 -2.54 115.31 114.66 3hrm h LEU 109 Ca -0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3hrm h LEU 109 Cb 0.85 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3hrm h LEU 109 CO 0.05 0.94 -0.03 0.00 0.09 0.00 0.00 178.44 179.50 3hrm h ALA 110 N 1.09 1.30 0.00 1.53 0.00 -1.13 -0.84 119.26 121.21 3hrm h ALA 110 Ca 0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3hrm h ALA 110 Cb 0.93 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3hrm h ALA 110 CO 0.08 0.03 -0.52 0.93 0.00 0.00 0.00 179.25 179.77 3hrm h GLU 111 N 0.00 0.00 -0.81 0.00 5.08 -1.39 -3.36 114.58 114.11 3hrm h GLU 111 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3hrm h GLU 111 Cb 0.10 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3hrm h GLU 111 CO 0.00 0.52 0.35 0.82 -1.00 0.00 0.00 179.01 179.70 3hrm h ILE 112 N 0.00 1.26 -0.89 3.13 2.04 -1.14 -3.03 117.51 118.88 3hrm h ILE 112 Ca -0.01 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.07 3hrm h ILE 112 Cb 1.38 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 3hrm h ILE 112 CO 0.07 0.33 0.59 0.77 0.00 0.00 0.00 178.15 179.91 3hrm h SER 113 N 1.17 1.01 -0.74 1.72 4.64 -1.70 -0.32 113.55 119.34 3hrm h SER 113 Ca 0.27 -0.02 0.07 0.00 -0.47 0.00 0.00 61.79 61.64 3hrm h SER 113 Cb 0.19 -0.25 -0.06 0.00 -0.31 0.00 0.00 62.40 61.96 3hrm h SER 113 CO -0.03 0.73 0.41 0.58 -0.87 0.00 0.00 176.83 177.66 3hrm h VAL 114 N 1.19 0.95 -0.21 0.95 2.07 -1.74 -0.36 116.25 119.11 3hrm h VAL 114 Ca 0.33 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.55 3hrm h VAL 114 Cb -0.12 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.79 3hrm h VAL 114 CO -0.08 0.14 -0.07 0.11 0.02 0.00 0.00 177.57 177.69 3hrm h LYS 115 N 0.74 0.42 -0.51 1.57 1.57 -1.27 -2.40 116.57 116.69 3hrm h LYS 115 Ca 0.34 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3hrm h LYS 115 Cb 0.24 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3hrm h LYS 115 CO -0.21 0.68 0.32 0.28 -0.57 0.00 0.00 179.45 179.96 3hrm h VAL 116 N 0.14 1.14 0.00 0.50 2.07 -0.60 -2.64 116.25 116.86 3hrm h VAL 116 Ca 0.05 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3hrm h VAL 116 Cb 0.53 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3hrm h VAL 116 CO 0.02 0.14 0.00 0.49 0.02 0.00 0.00 177.57 178.25 3hrm n PHE 117 N -4.71 0.70 0.07 1.57 3.72 -0.19 -2.78 117.46 115.85 3hrm n PHE 117 Ca 0.03 0.22 -0.10 0.00 -0.05 0.00 0.00 57.45 57.55 3hrm n PHE 117 Cb 0.04 -0.86 -0.01 0.00 -0.94 0.00 0.00 39.48 37.71 3hrm n PHE 117 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3hrm h ASN 118 N 0.00 0.38 -0.02 4.37 -0.73 -1.07 -3.16 115.58 115.35 3hrm h ASN 118 Ca 0.00 -0.29 0.00 0.00 1.87 0.00 0.00 56.30 57.88 3hrm h ASN 118 Cb 0.59 -0.12 -0.00 0.00 0.27 0.00 0.00 38.32 39.06 3hrm h ASN 118 CO 0.00 1.08 0.02 -0.33 -0.37 0.00 0.00 177.43 177.83 3hrm h GLU 119 N 0.18 0.00 -0.00 6.67 5.08 -1.34 0.17 114.58 125.33 3hrm h GLU 119 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3hrm h GLU 119 Cb 1.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.73 3hrm h GLU 119 CO 0.14 0.00 -0.08 1.19 -1.00 0.00 0.00 179.01 179.26 3hrm n PHE 120 N -3.61 0.00 -3.96 4.33 3.01 -1.19 -4.96 117.46 111.07 3hrm n PHE 120 Ca -0.03 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.06 3hrm n PHE 120 Cb 0.10 -0.36 0.01 0.00 -0.01 0.00 0.00 39.48 39.22 3hrm n PHE 120 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3hrm n ASN 121 N -1.36 -4.43 -4.70 4.37 5.15 0.58 -4.99 115.26 109.88 3hrm n ASN 121 Ca 0.10 -1.16 -0.23 0.00 -0.60 0.00 0.00 54.58 52.69 3hrm n ASN 121 Cb 0.30 -1.61 -0.06 0.00 -0.53 0.00 0.00 39.78 37.88 3hrm n ASN 121 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3hrm s ILE 122 N -3.28 3.67 0.83 -1.44 -4.36 -1.26 -5.13 121.20 110.23 3hrm s ILE 122 Ca 0.27 -1.76 -0.12 0.00 -0.26 0.00 0.00 60.65 58.77 3hrm s ILE 122 Cb -0.15 -3.00 0.09 0.00 1.25 0.00 0.00 42.46 40.65 3hrm s ILE 122 CO 0.94 -0.35 1.18 -0.94 0.24 0.00 0.00 174.94 176.01 3hrm s SER 123 N -3.73 4.33 0.29 4.36 1.04 -1.26 -4.87 113.70 113.86 3hrm s SER 123 Ca 0.32 0.78 0.03 0.00 0.48 0.00 0.00 55.95 57.57 3hrm s SER 123 Cb -0.06 -1.27 0.45 0.00 0.10 0.00 0.00 66.02 65.24 3hrm s SER 123 CO 0.21 -2.02 1.75 -0.33 0.98 0.00 0.00 173.24 173.84 3hrm h GLU 124 N -1.13 0.49 -0.17 4.02 5.08 -2.00 -1.25 114.58 119.61 3hrm h GLU 124 Ca -0.46 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 57.70 3hrm h GLU 124 Cb 1.33 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 3hrm h GLU 124 CO 0.65 0.66 -0.02 -0.09 -1.00 0.00 0.00 179.01 179.21 3hrm h ARG 125 N 0.44 0.32 -0.91 2.33 2.43 -1.99 -0.56 114.38 116.43 3hrm h ARG 125 Ca 0.07 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3hrm h ARG 125 Cb 0.60 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.08 3hrm h ARG 125 CO 0.04 0.57 0.52 0.93 -1.51 0.00 0.00 179.97 180.52 3hrm h GLU 126 N 0.04 1.25 -0.44 0.20 5.08 -1.90 0.52 114.58 119.33 3hrm h GLU 126 Ca 0.05 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3hrm h GLU 126 Cb 0.44 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3hrm h GLU 126 CO 0.01 0.90 0.15 0.00 -1.00 0.00 0.00 179.01 179.08 3hrm h ALA 127 N 1.30 0.58 -0.77 3.43 0.00 -1.10 -1.11 119.26 121.58 3hrm h ALA 127 Ca 0.32 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3hrm h ALA 127 Cb -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3hrm h ALA 127 CO -0.06 0.21 0.32 1.03 0.00 0.00 0.00 179.25 180.75 3hrm h SER 128 N 0.57 1.06 -0.46 0.00 0.87 -0.53 -0.56 113.55 114.50 3hrm h SER 128 Ca 0.14 -0.17 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 3hrm h SER 128 Cb 0.23 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 3hrm h SER 128 CO -0.01 0.93 0.08 0.44 -0.53 0.00 0.00 176.83 177.74 3hrm h ASP 129 N 1.11 0.72 -0.81 6.23 3.32 -0.59 -0.95 116.42 125.46 3hrm h ASP 129 Ca 0.26 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hrm h ASP 129 Cb 0.20 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 3hrm h ASP 129 CO -0.02 0.80 0.49 0.40 -1.72 0.00 0.00 179.24 179.18 3hrm h ILE 130 N 0.62 1.23 -0.15 0.35 2.04 -0.95 0.10 117.51 120.75 3hrm h ILE 130 Ca 0.14 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 3hrm h ILE 130 Cb 0.38 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3hrm h ILE 130 CO 0.01 0.24 0.09 0.40 0.00 0.00 0.00 178.15 178.89 3hrm h ILE 131 N 1.11 1.07 -0.63 -0.67 2.04 -0.85 0.07 117.51 119.66 3hrm h ILE 131 Ca 0.29 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 3hrm h ILE 131 Cb -0.04 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3hrm h ILE 131 CO -0.05 0.07 0.25 0.78 0.00 0.00 0.00 178.15 179.20 3hrm h ASN 132 N 0.17 0.83 -0.15 1.72 -0.26 -0.84 -0.43 115.58 116.62 3hrm h ASN 132 Ca 0.05 -0.11 -0.03 0.00 -0.56 0.00 0.00 56.30 55.65 3hrm h ASN 132 Cb 0.03 -0.22 -0.00 0.00 -1.06 0.00 0.00 38.32 37.07 3hrm h ASN 132 CO -0.01 0.75 -0.03 0.78 -1.06 0.00 0.00 177.43 177.86 3hrm h ASN 133 N 0.90 0.28 0.00 5.81 -0.26 -0.60 -2.80 115.58 118.92 3hrm h ASN 133 Ca 0.21 -0.35 -0.10 0.00 -0.56 0.00 0.00 56.30 55.50 3hrm h ASN 133 Cb 0.17 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.34 3hrm h ASN 133 CO -0.02 0.57 -0.30 -0.07 -1.06 0.00 0.00 177.43 176.56 3hrm h LEU 134 N -0.01 0.44 -1.13 1.61 3.38 -0.84 -0.07 115.31 118.70 3hrm h LEU 134 Ca 0.04 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3hrm h LEU 134 Cb 0.44 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3hrm h LEU 134 CO 0.01 0.73 0.28 -0.09 0.09 0.00 0.00 178.44 179.46 3hrm h ARG 135 N 0.38 0.90 -0.06 1.13 2.43 -1.08 -1.20 114.38 116.88 3hrm h ARG 135 Ca 0.05 -0.12 -0.14 0.00 -0.81 0.00 0.00 59.98 58.96 3hrm h ARG 135 Cb 0.72 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3hrm h ARG 135 CO 0.05 0.71 -0.51 -0.97 -1.51 0.00 0.00 179.97 177.74 3hrm h ASN 136 N 0.89 0.55 -0.98 -3.80 -0.00 -1.14 -0.80 115.58 110.30 3hrm h ASN 136 Ca 0.22 -0.69 0.03 0.00 -0.00 0.00 0.00 56.30 55.86 3hrm h ASN 136 Cb 0.12 -0.16 -0.05 0.00 -0.00 0.00 0.00 38.32 38.22 3hrm h ASN 136 CO -0.03 1.15 0.64 0.15 -0.00 0.00 0.00 177.43 179.35 3hrm h PHE 137 N -0.01 1.21 0.03 0.67 3.04 -0.77 -3.14 116.94 117.97 3hrm h PHE 137 Ca -0.05 0.03 -0.28 0.00 3.98 0.00 0.00 57.97 61.65 3hrm h PHE 137 Cb 1.18 -0.41 -0.04 0.00 2.56 0.00 0.00 35.95 39.25 3hrm h PHE 137 CO 0.13 0.72 -1.55 0.28 -2.02 0.00 0.00 178.31 175.87 3hrm h VAL 138 N 1.27 1.07 -0.66 1.41 2.07 -1.29 -3.41 116.25 116.71 3hrm h VAL 138 Ca 0.38 -2.85 0.09 0.00 0.82 0.00 0.00 66.70 65.14 3hrm h VAL 138 Cb -0.05 2.58 -0.10 0.00 -1.52 0.00 0.00 31.29 32.19 3hrm h VAL 138 CO -0.10 0.68 -0.29 -1.54 0.02 0.00 0.00 177.57 176.33 3hrm n SER 139 N -3.21 -0.50 -0.59 0.57 3.41 -0.31 0.13 113.62 113.12 3hrm n SER 139 Ca -0.14 1.16 0.10 0.00 -0.26 0.00 0.00 58.87 59.72 3hrm n SER 139 Cb 1.03 -0.23 0.33 0.00 -0.26 0.00 0.00 64.21 65.07 3hrm n SER 139 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3hrm n LYS 140 N -4.94 1.77 -0.38 4.33 2.85 -1.26 -5.12 118.16 115.42 3hrm n LYS 140 Ca 0.05 -1.17 0.00 0.00 -1.05 0.00 0.00 58.31 56.15 3hrm n LYS 140 Cb 0.24 -1.37 0.00 0.00 -0.65 0.00 0.00 35.03 33.25 3hrm n LYS 140 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44