#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f6m s ASP 13 N 0.00 4.77 0.32 3.17 -1.08 -1.26 -4.91 116.67 117.68 2f6m s ASP 13 Ca 0.00 0.67 0.01 0.00 -0.52 0.00 0.00 52.55 52.71 2f6m s ASP 13 Cb 0.00 -1.28 0.55 0.00 -1.46 0.00 0.00 42.92 40.73 2f6m s ASP 13 CO 0.00 -1.69 1.94 0.16 0.52 0.00 0.00 175.17 176.10 2f6m h ILE 14 N -0.79 1.19 -0.72 4.11 3.07 -1.99 -2.27 117.51 120.11 2f6m h ILE 14 Ca -0.45 -0.51 0.08 0.00 1.55 0.00 0.00 64.86 65.53 2f6m h ILE 14 Cb 1.31 0.43 -0.05 0.00 -0.27 0.00 0.00 36.82 38.25 2f6m h ILE 14 CO 0.63 0.22 0.48 -1.28 -1.05 0.00 0.00 178.15 177.14 2f6m h SER 15 N 0.82 0.59 0.29 2.16 0.87 -1.94 0.38 113.55 116.73 2f6m h SER 15 Ca 0.21 0.01 -0.33 0.00 -1.23 0.00 0.00 61.79 60.44 2f6m h SER 15 Cb 0.07 -0.12 0.02 0.00 -0.44 0.00 0.00 62.40 61.93 2f6m h SER 15 CO -0.03 0.37 -1.56 -0.61 -0.53 0.00 0.00 176.83 174.47 2f6m h GLN 16 N 0.67 0.44 -0.44 2.24 5.75 -1.87 -3.04 115.11 118.86 2f6m h GLN 16 Ca 0.33 -0.75 -0.12 0.00 -0.15 0.00 0.00 58.65 57.95 2f6m h GLN 16 Cb 0.39 0.28 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 2f6m h GLN 16 CO -0.11 1.35 -0.19 1.25 -2.65 0.00 0.00 178.83 178.47 2f6m h LEU 17 N 0.12 0.87 -5.31 -2.39 5.85 -0.82 -3.26 115.31 110.37 2f6m h LEU 17 Ca -0.28 -0.31 -0.61 0.00 0.84 0.00 0.00 57.88 57.53 2f6m h LEU 17 Cb 2.12 -0.24 -0.41 0.00 0.37 0.00 0.00 40.66 42.50 2f6m h LEU 17 CO 0.23 1.05 -0.51 0.49 -0.34 0.00 0.00 178.44 179.35 2f6m n PHE 18 N -4.12 3.93 -0.01 1.25 3.01 0.13 -4.89 117.46 116.75 2f6m n PHE 18 Ca 0.00 -3.83 -0.03 0.00 1.01 0.00 0.00 57.45 54.60 2f6m n PHE 18 Cb 0.43 -0.52 -0.02 0.00 -0.01 0.00 0.00 39.48 39.35 2f6m n PHE 18 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 2f6m h HIS 19 N 3.05 -0.09 -2.15 1.38 2.76 -1.58 -3.45 115.15 115.07 2f6m h HIS 19 Ca 0.17 -0.00 -0.50 0.00 -2.20 0.00 0.00 60.37 57.84 2f6m h HIS 19 Cb 0.51 0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.45 2f6m h HIS 19 CO 0.88 0.06 -0.52 -0.51 -1.30 0.00 0.00 177.93 176.54 2f6m s ASP 20 N -5.51 5.48 0.40 3.26 -0.00 -1.26 -5.07 116.67 113.97 2f6m s ASP 20 Ca -0.04 -0.29 -0.27 0.00 -0.00 0.00 0.00 52.55 51.96 2f6m s ASP 20 Cb -0.00 -1.34 -0.09 0.00 -0.00 0.00 0.00 42.92 41.49 2f6m s ASP 20 CO 0.13 -0.08 1.36 -1.61 -0.00 0.00 0.00 175.17 174.97 2f6m s GLU 21 N -3.86 4.00 -0.16 8.23 2.02 -1.26 -5.03 118.70 122.63 2f6m s GLU 21 Ca 0.34 2.29 -0.05 0.00 0.02 0.00 0.00 54.97 57.58 2f6m s GLU 21 Cb -0.08 -2.82 -0.03 0.00 0.10 0.00 0.00 34.13 31.30 2f6m s GLU 21 CO 0.25 -0.52 -0.01 0.08 0.02 0.00 0.00 175.26 175.08 2f6m s VAL 22 N -1.20 4.15 0.68 2.63 1.01 -1.26 -5.11 120.40 121.30 2f6m s VAL 22 Ca 0.56 -0.27 -0.13 0.00 0.00 0.00 0.00 61.98 62.14 2f6m s VAL 22 Cb -0.41 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.15 2f6m s VAL 22 CO 0.54 0.49 1.09 -2.84 0.00 0.00 0.00 175.10 174.37 2f6m s PRO 23 N 0.29 2.77 0.18 2.72 0.02 -1.26 -4.95 135.00 134.76 2f6m s PRO 23 Ca -0.01 1.22 -0.14 0.00 0.02 0.00 0.00 61.00 62.09 2f6m s PRO 23 Cb -0.13 -1.96 0.13 0.00 0.02 0.00 0.00 34.50 32.55 2f6m s PRO 23 CO 0.02 -1.25 1.77 1.25 -0.33 0.00 0.00 177.00 178.47 2f6m h LEU 24 N -0.34 0.29 -8.98 -5.54 5.85 -2.07 -3.41 115.31 101.10 2f6m h LEU 24 Ca -0.45 0.04 -0.68 0.00 0.84 0.00 0.00 57.88 57.62 2f6m h LEU 24 Cb 1.23 -0.01 -0.21 0.00 0.37 0.00 0.00 40.66 42.04 2f6m h LEU 24 CO 0.54 0.21 -0.84 -0.36 -0.34 0.00 0.00 178.44 177.65 2f6m s PHE 25 N -6.14 2.38 0.34 1.25 0.40 -1.26 -5.11 117.98 109.84 2f6m s PHE 25 Ca -0.13 -0.34 -0.29 0.00 -0.60 0.00 0.00 56.93 55.57 2f6m s PHE 25 Cb 0.13 -1.26 -0.12 0.00 0.51 0.00 0.00 43.02 42.29 2f6m s PHE 25 CO 0.73 0.37 1.47 -3.47 0.70 0.00 0.00 175.22 175.02 2f6m n ASP 26 N 0.78 3.53 0.09 1.36 2.03 -1.26 -4.85 116.55 118.24 2f6m n ASP 26 Ca -0.17 1.20 0.05 0.00 0.52 0.00 0.00 54.79 56.40 2f6m n ASP 26 Cb 0.53 -1.58 0.29 0.00 -0.72 0.00 0.00 41.12 39.65 2f6m n ASP 26 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2f6m n ASN 27 N 0.99 0.28 -0.98 1.67 4.13 -1.26 -0.59 115.26 119.50 2f6m n ASN 27 Ca 0.04 0.59 0.09 0.00 1.68 0.00 0.00 54.58 56.98 2f6m n ASN 27 Cb 0.37 -0.61 0.22 0.00 -1.54 0.00 0.00 39.78 38.22 2f6m n ASN 27 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2f6m n SER 28 N -1.87 3.34 -4.74 6.41 3.41 -1.26 -4.99 113.62 113.92 2f6m n SER 28 Ca -0.01 -1.97 -0.42 0.00 -0.26 0.00 0.00 58.87 56.22 2f6m n SER 28 Cb 0.09 -0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 63.70 2f6m n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2f6m n ILE 29 N 1.10 0.82 -1.45 -1.33 3.06 0.24 -4.97 119.36 116.82 2f6m n ILE 29 Ca 0.17 -0.20 -0.31 0.00 -2.50 0.00 0.00 62.75 59.91 2f6m n ILE 29 Cb 0.52 -1.96 0.07 0.00 0.54 0.00 0.00 39.64 38.81 2f6m n ILE 29 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 2f6m s THR 30 N 0.23 3.67 0.22 9.51 -4.23 -1.26 -4.91 115.64 118.87 2f6m s THR 30 Ca 0.66 0.54 -0.07 0.00 -1.18 0.00 0.00 61.69 61.64 2f6m s THR 30 Cb -0.50 -3.19 0.19 0.00 1.34 0.00 0.00 72.50 70.34 2f6m s THR 30 CO 0.45 -0.71 1.82 -1.28 -0.54 0.00 0.00 174.62 174.37 2f6m h SER 31 N -0.92 1.12 -0.42 3.99 0.87 -2.00 -2.27 113.55 113.93 2f6m h SER 31 Ca -0.44 -0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 59.89 2f6m h SER 31 Cb 1.22 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 2f6m h SER 31 CO 0.55 0.94 -0.10 0.11 -0.53 0.00 0.00 176.83 177.80 2f6m h LYS 32 N 1.22 0.80 -0.61 2.24 1.57 -1.99 -2.05 116.57 117.75 2f6m h LYS 32 Ca 0.30 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2f6m h LYS 32 Cb 0.11 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2f6m h LYS 32 CO -0.04 0.93 0.30 -0.44 -0.57 0.00 0.00 179.45 179.62 2f6m h ASP 33 N 0.62 0.80 -0.74 0.86 3.32 -1.92 -1.61 116.42 117.76 2f6m h ASP 33 Ca 0.11 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 2f6m h ASP 33 Cb 0.63 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 2f6m h ASP 33 CO 0.04 0.70 0.23 0.50 -1.72 0.00 0.00 179.24 178.99 2f6m h LYS 34 N 0.84 1.15 -0.95 3.56 3.64 -1.37 -2.28 116.57 121.16 2f6m h LYS 34 Ca 0.21 -0.25 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2f6m h LYS 34 Cb 0.11 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 31.72 2f6m h LYS 34 CO -0.03 0.98 0.63 1.49 -2.27 0.00 0.00 179.45 180.25 2f6m h GLU 35 N 1.10 1.24 -0.24 1.90 4.81 -1.05 -1.33 114.58 121.01 2f6m h GLU 35 Ca 0.24 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2f6m h GLU 35 Cb 0.31 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2f6m h GLU 35 CO -0.01 0.82 0.16 0.28 -0.73 0.00 0.00 179.01 179.53 2f6m h VAL 36 N 1.27 1.06 -0.62 0.32 2.07 -0.76 -0.69 116.25 118.90 2f6m h VAL 36 Ca 0.36 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.69 2f6m h VAL 36 Cb -0.12 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2f6m h VAL 36 CO -0.09 0.06 0.09 0.40 0.02 0.00 0.00 177.57 178.05 2f6m h ILE 37 N 0.32 1.26 -0.47 4.57 2.04 -1.11 -0.78 117.51 123.35 2f6m h ILE 37 Ca 0.09 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 64.88 2f6m h ILE 37 Cb -0.04 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2f6m h ILE 37 CO -0.02 0.38 0.13 -0.33 0.00 0.00 0.00 178.15 178.31 2f6m h GLU 38 N 0.95 0.69 -0.51 2.37 5.08 -1.05 -0.98 114.58 121.13 2f6m h GLU 38 Ca 0.19 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 2f6m h GLU 38 Cb 0.45 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2f6m h GLU 38 CO 0.01 0.62 -0.04 1.15 -1.00 0.00 0.00 179.01 179.76 2f6m h THR 39 N 0.68 1.27 -0.74 1.13 2.02 -0.67 -2.78 112.91 113.81 2f6m h THR 39 Ca 0.16 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.19 2f6m h THR 39 Cb 0.23 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 2f6m h THR 39 CO -0.01 0.40 0.46 -0.07 0.37 0.00 0.00 175.52 176.68 2f6m h LEU 40 N 0.78 0.87 -1.24 2.58 3.38 -0.60 -0.83 115.31 120.25 2f6m h LEU 40 Ca 0.14 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2f6m h LEU 40 Cb 0.57 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2f6m h LEU 40 CO 0.03 0.65 0.16 0.77 0.09 0.00 0.00 178.44 180.15 2f6m h SER 41 N 1.01 0.62 -0.15 -0.43 4.64 -0.98 0.76 113.55 119.03 2f6m h SER 41 Ca 0.27 -0.08 -0.14 0.00 -0.47 0.00 0.00 61.79 61.37 2f6m h SER 41 Cb -0.07 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 2f6m h SER 41 CO -0.05 0.59 -0.46 -0.33 -0.87 0.00 0.00 176.83 175.70 2f6m h GLU 42 N 0.67 0.57 -0.41 4.77 4.39 -1.13 -2.00 114.58 121.45 2f6m h GLU 42 Ca 0.16 -0.42 0.04 0.00 0.34 0.00 0.00 59.36 59.48 2f6m h GLU 42 Cb 0.18 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 2f6m h GLU 42 CO -0.01 1.04 0.19 0.82 -1.16 0.00 0.00 179.01 179.89 2f6m h ILE 43 N 0.21 0.95 -0.60 3.13 2.04 -0.93 -2.45 117.51 119.87 2f6m h ILE 43 Ca -0.02 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.73 2f6m h ILE 43 Cb 1.08 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 2f6m h ILE 43 CO 0.10 0.07 0.37 0.22 0.00 0.00 0.00 178.15 178.91 2f6m h TYR 44 N 0.40 0.69 -0.40 1.37 3.20 -0.84 -1.70 116.97 119.69 2f6m h TYR 44 Ca 0.18 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 2f6m h TYR 44 Cb 0.10 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 2f6m h TYR 44 CO -0.11 0.40 0.23 0.66 -1.64 0.00 0.00 178.16 177.69 2f6m h SER 45 N 0.73 0.47 -0.14 -2.11 4.64 -1.06 -0.72 113.55 115.37 2f6m h SER 45 Ca 0.24 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.48 2f6m h SER 45 Cb 0.01 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 2f6m h SER 45 CO -0.10 0.38 -0.13 0.40 -0.87 0.00 0.00 176.83 176.51 2f6m h ILE 46 N 0.55 1.35 -0.06 0.95 2.04 -0.98 -1.47 117.51 119.89 2f6m h ILE 46 Ca 0.14 -1.28 0.03 0.00 1.00 0.00 0.00 64.86 64.75 2f6m h ILE 46 Cb -0.00 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 2f6m h ILE 46 CO -0.03 0.37 -0.13 0.58 0.00 0.00 0.00 178.15 178.95 2f6m h VAL 47 N -0.05 0.67 0.03 1.67 2.07 -0.80 0.17 116.25 120.01 2f6m h VAL 47 Ca 0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 2f6m h VAL 47 Cb 0.65 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2f6m h VAL 47 CO 0.03 0.00 -0.01 0.40 0.02 0.00 0.00 177.57 178.01 2f6m h ILE 48 N -0.18 1.07 -0.33 4.57 1.08 -1.21 -1.38 117.51 121.14 2f6m h ILE 48 Ca 0.06 -0.31 0.02 0.00 -0.39 0.00 0.00 64.86 64.25 2f6m h ILE 48 Cb 0.27 1.28 -0.03 0.00 -3.07 0.00 0.00 36.82 35.28 2f6m h ILE 48 CO -0.17 0.08 0.16 0.74 -0.69 0.00 0.00 178.15 178.28 2f6m h THR 49 N -0.17 0.99 -0.60 -0.27 2.02 -1.14 -2.29 112.91 111.46 2f6m h THR 49 Ca -0.00 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 2f6m h THR 49 Cb 0.16 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 2f6m h THR 49 CO 0.01 0.06 0.34 0.25 0.37 0.00 0.00 175.52 176.55 2f6m h LEU 50 N 0.34 0.72 -0.84 2.58 6.46 -0.61 -2.23 115.31 121.74 2f6m h LEU 50 Ca 0.14 -0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.81 2f6m h LEU 50 Cb 0.04 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 39.76 2f6m h LEU 50 CO -0.09 0.57 0.35 -0.78 -0.62 0.00 0.00 178.44 177.87 2f6m h ASP 51 N 0.83 1.10 -0.12 1.25 3.58 -0.67 0.33 116.42 122.71 2f6m h ASP 51 Ca 0.21 -0.16 -0.15 0.00 0.42 0.00 0.00 57.03 57.36 2f6m h ASP 51 Cb -0.00 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 2f6m h ASP 51 CO -0.04 0.96 -0.44 0.45 -2.88 0.00 0.00 179.24 177.29 2f6m h HIS 52 N 1.18 0.81 -0.36 0.28 3.86 -1.24 -2.36 115.15 117.32 2f6m h HIS 52 Ca 0.27 -0.25 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 2f6m h HIS 52 Cb 0.18 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 2f6m h HIS 52 CO 0.02 0.99 0.06 0.28 0.86 0.00 0.00 177.93 180.15 2f6m h VAL 53 N 0.54 1.24 -0.33 2.45 2.07 -0.97 -0.69 116.25 120.56 2f6m h VAL 53 Ca 0.04 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.75 2f6m h VAL 53 Cb 0.98 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 2f6m h VAL 53 CO 0.09 0.28 0.18 -0.33 0.02 0.00 0.00 177.57 177.81 2f6m h GLU 54 N 0.43 0.36 -0.70 1.57 4.39 -0.95 -0.35 114.58 119.34 2f6m h GLU 54 Ca 0.11 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 2f6m h GLU 54 Cb 0.35 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 2f6m h GLU 54 CO 0.01 0.24 0.27 0.87 -1.16 0.00 0.00 179.01 179.24 2f6m h LYS 55 N 0.37 1.04 -0.15 2.33 1.57 -1.36 -2.26 116.57 118.12 2f6m h LYS 55 Ca 0.13 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 2f6m h LYS 55 Cb 0.02 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2f6m h LYS 55 CO -0.07 0.87 -0.31 0.00 -0.57 0.00 0.00 179.45 179.36 2f6m h ALA 56 N 1.13 1.19 -0.38 3.86 0.00 -0.84 -2.49 119.26 121.73 2f6m h ALA 56 Ca 0.23 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 2f6m h ALA 56 Cb 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2f6m h ALA 56 CO -0.02 0.53 -0.09 -0.92 0.00 0.00 0.00 179.25 178.75 2f6m h TYR 57 N 0.26 0.69 0.00 0.00 3.20 -0.74 -2.68 116.97 117.70 2f6m h TYR 57 Ca 0.04 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.76 2f6m h TYR 57 Cb 0.68 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 2f6m h TYR 57 CO 0.01 0.71 -0.16 -0.07 -1.64 0.00 0.00 178.16 177.01 2f6m h LEU 58 N 0.59 0.00 -0.99 2.82 3.38 -0.96 -1.88 115.31 118.27 2f6m h LEU 58 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2f6m h LEU 58 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2f6m h LEU 58 CO 0.03 0.16 0.00 0.29 0.09 0.00 0.00 178.44 179.01 2f6m n LYS 59 N -4.10 1.64 -3.96 1.13 5.02 -1.03 -4.93 118.16 111.92 2f6m n LYS 59 Ca -0.02 -0.97 -0.29 0.00 -2.02 0.00 0.00 58.31 55.00 2f6m n LYS 59 Cb 0.24 -1.31 0.01 0.00 -0.02 0.00 0.00 35.03 33.95 2f6m n LYS 59 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2f6m n ASP 60 N 0.23 -3.10 -0.07 4.39 8.00 -0.71 -4.89 116.55 120.41 2f6m n ASP 60 Ca 0.13 -0.88 0.08 0.00 0.71 0.00 0.00 54.79 54.83 2f6m n ASP 60 Cb 0.27 -3.51 -0.08 0.00 -0.02 0.00 0.00 41.12 37.78 2f6m n ASP 60 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2f6m n SER 61 N -2.86 0.96 -4.52 -2.24 3.41 -1.08 -4.95 113.62 102.34 2f6m n SER 61 Ca -0.07 -0.98 -0.33 0.00 -0.26 0.00 0.00 58.87 57.23 2f6m n SER 61 Cb 0.57 0.91 -0.12 0.00 -0.26 0.00 0.00 64.21 65.31 2f6m n SER 61 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2f6m s ILE 62 N -2.49 3.47 0.29 -1.33 1.01 -1.26 -5.03 121.20 115.85 2f6m s ILE 62 Ca 0.08 -0.56 -0.30 0.00 0.00 0.00 0.00 60.65 59.87 2f6m s ILE 62 Cb 0.13 -2.42 -0.12 0.00 0.01 0.00 0.00 42.46 40.06 2f6m s ILE 62 CO 0.65 0.58 1.52 -0.67 0.00 0.00 0.00 174.94 177.02 2f6m n ASP 63 N 2.54 3.52 -0.14 3.58 -0.08 -1.26 -4.86 116.55 119.86 2f6m n ASP 63 Ca -0.18 1.16 0.03 0.00 -1.51 0.00 0.00 54.79 54.29 2f6m n ASP 63 Cb 0.53 -1.55 0.33 0.00 2.34 0.00 0.00 41.12 42.76 2f6m n ASP 63 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2f6m h ASP 64 N 4.38 0.69 -0.00 1.67 3.58 -1.99 0.50 116.42 125.25 2f6m h ASP 64 Ca -0.47 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 56.94 2f6m h ASP 64 Cb 1.24 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.13 2f6m h ASP 64 CO 0.76 0.49 -0.13 0.74 -2.88 0.00 0.00 179.24 178.23 2f6m h THR 65 N 0.81 1.57 -0.94 2.25 2.02 -2.00 -2.82 112.91 113.80 2f6m h THR 65 Ca 0.24 -1.86 0.05 0.00 0.77 0.00 0.00 66.41 65.62 2f6m h THR 65 Cb -0.01 2.78 -0.06 0.00 -1.74 0.00 0.00 68.15 69.11 2f6m h THR 65 CO -0.06 0.50 0.61 1.56 0.37 0.00 0.00 175.52 178.49 2f6m h GLN 66 N -0.62 1.10 0.00 6.66 4.20 -1.89 -1.41 115.11 123.15 2f6m h GLN 66 Ca -0.01 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 2f6m h GLN 66 Cb 0.88 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.42 2f6m h GLN 66 CO 0.03 0.73 -0.00 -0.92 -0.67 0.00 0.00 178.83 177.99 2f6m h TYR 67 N 1.13 -0.00 -0.35 2.96 3.20 -0.99 -1.43 116.97 121.50 2f6m h TYR 67 Ca 0.40 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.27 2f6m h TYR 67 Cb 0.10 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 2f6m h TYR 67 CO -0.01 0.02 0.22 1.15 -1.64 0.00 0.00 178.16 177.90 2f6m h THR 68 N -0.02 1.11 -0.43 1.81 2.02 -1.19 -1.26 112.91 114.94 2f6m h THR 68 Ca -0.00 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 2f6m h THR 68 Cb 0.02 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 2f6m h THR 68 CO 0.00 0.10 0.16 0.78 0.37 0.00 0.00 175.52 176.94 2f6m h ASN 69 N 0.46 0.60 -0.38 4.18 2.35 -1.25 -0.76 115.58 120.77 2f6m h ASN 69 Ca 0.12 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 2f6m h ASN 69 Cb -0.02 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 2f6m h ASN 69 CO -0.02 0.61 0.08 0.74 -1.65 0.00 0.00 177.43 177.19 2f6m h THR 70 N 0.55 1.23 -0.28 2.81 2.02 -1.12 -1.64 112.91 116.47 2f6m h THR 70 Ca 0.14 -0.80 -0.17 0.00 0.77 0.00 0.00 66.41 66.36 2f6m h THR 70 Cb 0.21 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2f6m h THR 70 CO -0.01 0.27 -0.49 0.58 0.37 0.00 0.00 175.52 176.24 2f6m h VAL 71 N 0.48 1.29 -0.37 3.16 2.07 -1.20 -1.51 116.25 120.16 2f6m h VAL 71 Ca 0.12 -1.69 0.06 0.00 0.82 0.00 0.00 66.70 66.01 2f6m h VAL 71 Cb 0.32 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 2f6m h VAL 71 CO 0.00 0.55 0.05 0.44 0.02 0.00 0.00 177.57 178.63 2f6m h ASP 72 N 0.61 -0.05 -0.50 0.57 5.19 -1.05 0.21 116.42 121.41 2f6m h ASP 72 Ca 0.03 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 2f6m h ASP 72 Cb 1.07 0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.67 2f6m h ASP 72 CO 0.11 0.01 0.27 0.11 -3.12 0.00 0.00 179.24 176.62 2f6m h LYS 73 N 0.16 0.69 -0.72 3.56 1.57 -1.10 -1.61 116.57 119.12 2f6m h LYS 73 Ca 0.18 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2f6m h LYS 73 Cb 0.23 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2f6m h LYS 73 CO -0.26 0.54 0.26 -0.07 -0.57 0.00 0.00 179.45 179.35 2f6m h LEU 74 N 0.66 1.02 -0.48 2.94 3.38 -1.03 -1.38 115.31 120.41 2f6m h LEU 74 Ca 0.17 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2f6m h LEU 74 Cb 0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2f6m h LEU 74 CO -0.03 0.93 0.21 -0.07 0.09 0.00 0.00 178.44 179.57 2f6m h LEU 75 N 1.04 0.64 -0.19 1.67 3.38 -0.73 -1.35 115.31 119.77 2f6m h LEU 75 Ca 0.24 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2f6m h LEU 75 Cb 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2f6m h LEU 75 CO -0.01 0.62 0.10 0.11 0.09 0.00 0.00 178.44 179.34 2f6m h LYS 76 N 0.63 0.27 -0.35 1.13 1.79 -1.14 -2.50 116.57 116.40 2f6m h LYS 76 Ca 0.16 -0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.64 2f6m h LYS 76 Cb 0.16 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.72 2f6m h LYS 76 CO -0.02 0.27 0.10 1.96 -1.08 0.00 0.00 179.45 180.68 2f6m h GLN 77 N 0.19 0.23 -0.86 3.15 4.20 -1.17 -1.86 115.11 118.98 2f6m h GLN 77 Ca 0.07 -0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.89 2f6m h GLN 77 Cb 0.08 -0.05 -0.09 0.00 0.30 0.00 0.00 27.48 27.72 2f6m h GLN 77 CO -0.01 0.15 0.47 0.35 -0.67 0.00 0.00 178.83 179.12 2f6m h PHE 78 N 0.24 0.84 -0.54 2.96 3.57 -1.17 -1.78 116.94 121.06 2f6m h PHE 78 Ca 0.16 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.61 2f6m h PHE 78 Cb 0.15 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 2f6m h PHE 78 CO -0.16 0.25 -0.00 0.87 -2.23 0.00 0.00 178.31 177.04 2f6m h LYS 79 N 0.71 0.95 -0.16 1.11 1.57 -0.96 -1.82 116.57 117.97 2f6m h LYS 79 Ca 0.45 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2f6m h LYS 79 Cb 0.57 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2f6m h LYS 79 CO -0.32 0.96 0.10 0.28 -0.57 0.00 0.00 179.45 179.91 2f6m h VAL 80 N 0.83 1.05 0.02 0.50 2.07 -0.76 -1.55 116.25 118.41 2f6m h VAL 80 Ca 0.15 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 2f6m h VAL 80 Cb 0.54 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2f6m h VAL 80 CO 0.03 0.05 -0.01 1.88 0.02 0.00 0.00 177.57 179.53 2f6m h TYR 81 N 0.21 -0.03 -0.87 1.57 0.99 -1.29 -3.10 116.97 114.46 2f6m h TYR 81 Ca 0.06 -0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.86 2f6m h TYR 81 Cb -0.01 0.01 -0.07 0.00 1.00 0.00 0.00 36.73 37.66 2f6m h TYR 81 CO -0.06 0.12 0.53 1.25 -0.00 0.00 0.00 178.16 180.00 2f6m h LEU 82 N -0.17 0.81 -3.56 3.88 5.85 -1.30 -3.01 115.31 117.81 2f6m h LEU 82 Ca -0.00 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 2f6m h LEU 82 Cb 0.16 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 2f6m h LEU 82 CO 0.01 0.50 -0.13 0.59 -0.34 0.00 0.00 178.44 179.07 2f6m n ASN 83 N -4.64 5.43 -0.81 1.25 3.02 -0.59 -4.72 115.26 114.21 2f6m n ASN 83 Ca 0.13 -2.53 0.00 0.00 -0.03 0.00 0.00 54.58 52.16 2f6m n ASN 83 Cb 0.21 -1.26 0.00 0.00 -0.61 0.00 0.00 39.78 38.12 2f6m n ASN 83 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2f6m n SER 84 N 1.84 0.00 -3.69 6.41 2.88 -1.14 -4.99 113.62 114.93 2f6m n SER 84 Ca 0.24 -0.81 -0.23 0.00 -1.33 0.00 0.00 58.87 56.74 2f6m n SER 84 Cb 0.69 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.20 2f6m n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2f6m n GLN 85 N 0.00 -5.52 0.00 -1.46 1.13 -1.26 -1.19 117.38 109.07 2f6m n GLN 85 Ca 0.00 0.67 0.00 0.00 -1.94 0.00 0.00 57.00 55.73 2f6m n GLN 85 Cb 0.00 -5.40 0.00 0.00 0.11 0.00 0.00 30.24 24.95 2f6m n GLN 85 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2f6m n ASN 86 N -3.02 0.00 0.00 1.08 2.85 -1.26 -3.78 115.26 111.13 2f6m n ASN 86 Ca -0.21 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.26 2f6m n ASN 86 Cb 0.64 -0.18 0.00 0.00 1.24 0.00 0.00 39.78 41.48 2f6m n ASN 86 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2f6m n LYS 87 N -0.84 0.00 0.06 1.20 0.00 -0.33 -4.67 118.16 113.57 2f6m n LYS 87 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.17 2f6m n LYS 87 Cb 0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 35.03 34.62 2f6m n LYS 87 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2f6m h GLU 88 N 0.27 0.19 0.00 1.64 4.57 -1.86 -3.37 114.58 116.01 2f6m h GLU 88 Ca 0.00 -0.32 -0.05 0.00 -1.18 0.00 0.00 59.36 57.82 2f6m h GLU 88 Cb 0.00 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2f6m h GLU 88 CO 0.00 1.04 -0.22 0.93 -1.18 0.00 0.00 179.01 179.58 2f6m h GLU 89 N 0.05 0.00 0.02 1.92 4.39 -1.83 -2.94 114.58 116.19 2f6m h GLU 89 Ca -0.20 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.27 2f6m h GLU 89 Cb 1.97 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.62 2f6m h GLU 89 CO 0.15 0.22 -0.98 -0.84 -1.16 0.00 0.00 179.01 176.40 2f6m h ILE 90 N 0.00 1.42 0.00 3.13 3.07 -1.75 -3.22 117.51 120.16 2f6m h ILE 90 Ca -0.00 -2.55 -0.08 0.00 1.55 0.00 0.00 64.86 63.78 2f6m h ILE 90 Cb 0.76 2.50 -0.01 0.00 -0.27 0.00 0.00 36.82 39.80 2f6m h ILE 90 CO 0.03 0.76 -0.38 -1.13 -1.05 0.00 0.00 178.15 176.37 2f6m h ASN 91 N 0.20 0.00 -0.89 2.16 -1.24 -1.70 -2.83 115.58 111.28 2f6m h ASN 91 Ca -0.09 0.00 0.14 0.00 0.71 0.00 0.00 56.30 57.06 2f6m h ASN 91 Cb 1.63 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 40.59 2f6m h ASN 91 CO 0.17 0.38 0.50 0.50 -1.29 0.00 0.00 177.43 177.69 2f6m h LYS 92 N 0.00 0.72 0.00 6.67 3.64 -1.53 -3.00 116.57 123.07 2f6m h LYS 92 Ca -0.00 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.14 2f6m h LYS 92 Cb 0.85 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 2f6m h LYS 92 CO 0.05 0.48 -1.42 0.45 -2.27 0.00 0.00 179.45 176.74 2f6m h HIS 93 N 0.74 0.00 -0.92 1.91 3.86 -1.62 -3.39 115.15 115.73 2f6m h HIS 93 Ca 0.47 0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.87 2f6m h HIS 93 Cb 0.60 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.95 2f6m h HIS 93 CO -0.06 0.69 0.48 0.74 0.86 0.00 0.00 177.93 180.64 2f6m h PHE 94 N 0.00 0.83 -0.41 2.45 0.04 -1.35 -0.09 116.94 118.41 2f6m h PHE 94 Ca -0.18 0.04 -0.12 0.00 2.80 0.00 0.00 57.97 60.51 2f6m h PHE 94 Cb 1.68 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 39.59 2f6m h PHE 94 CO 0.00 0.11 -0.21 0.37 -0.60 0.00 0.00 178.31 177.98 2f6m h GLN 95 N 0.58 0.81 0.00 1.51 4.15 -1.76 -1.84 115.11 118.57 2f6m h GLN 95 Ca 0.54 -0.33 -0.11 0.00 0.77 0.00 0.00 58.65 59.53 2f6m h GLN 95 Cb 0.91 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.55 2f6m h GLN 95 CO -0.43 0.95 -0.51 1.03 -1.93 0.00 0.00 178.83 177.93 2f6m h SER 96 N 0.71 0.00 -0.37 -0.69 0.87 -1.37 -2.09 113.55 110.61 2f6m h SER 96 Ca 0.10 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.50 2f6m h SER 96 Cb 0.73 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 2f6m h SER 96 CO 0.06 0.51 -0.38 0.40 -0.53 0.00 0.00 176.83 176.89 2f6m h ILE 97 N 0.00 1.28 -0.54 2.23 2.04 -0.96 -2.79 117.51 118.76 2f6m h ILE 97 Ca -0.01 -1.55 -0.04 0.00 1.00 0.00 0.00 64.86 64.27 2f6m h ILE 97 Cb 1.16 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.64 2f6m h ILE 97 CO 0.07 0.52 0.18 -0.33 0.00 0.00 0.00 178.15 178.58 2f6m h GLU 98 N 0.71 0.80 -0.46 2.37 5.08 -1.14 -0.93 114.58 121.01 2f6m h GLU 98 Ca 0.06 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 2f6m h GLU 98 Cb 0.97 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2f6m h GLU 98 CO 0.09 0.69 -0.15 0.00 -1.00 0.00 0.00 179.01 178.65 2f6m h ALA 99 N 1.41 0.64 -0.14 3.43 0.00 -1.37 -0.21 119.26 123.02 2f6m h ALA 99 Ca 0.18 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2f6m h ALA 99 Cb 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2f6m h ALA 99 CO -0.01 0.57 0.03 0.35 0.00 0.00 0.00 179.25 180.19 2f6m h PHE 100 N 0.76 0.24 -0.86 0.00 3.57 -1.38 -2.36 116.94 116.91 2f6m h PHE 100 Ca 0.11 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2f6m h PHE 100 Cb 0.70 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 2f6m h PHE 100 CO 0.05 0.39 0.56 0.00 -2.23 0.00 0.00 178.31 177.08 2f6m h ALA 101 N 0.82 1.09 -0.49 2.41 0.00 -1.08 -1.89 119.26 120.12 2f6m h ALA 101 Ca 0.04 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2f6m h ALA 101 Cb 0.28 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2f6m h ALA 101 CO 0.00 0.51 -0.16 -0.44 0.00 0.00 0.00 179.25 179.17 2f6m h ASP 102 N 1.17 0.97 -0.72 0.00 5.19 -1.06 0.36 116.42 122.34 2f6m h ASP 102 Ca 0.31 -0.34 0.02 0.00 -0.62 0.00 0.00 57.03 56.40 2f6m h ASP 102 Cb -0.11 -0.26 -0.04 0.00 0.18 0.00 0.00 39.33 39.10 2f6m h ASP 102 CO -0.07 1.11 0.47 0.74 -3.12 0.00 0.00 179.24 178.37 2f6m h THR 103 N 0.84 1.15 -0.39 0.35 2.02 -0.99 -3.19 112.91 112.70 2f6m h THR 103 Ca 0.12 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2f6m h THR 103 Cb 0.71 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2f6m h THR 103 CO 0.05 0.17 0.00 -1.22 0.37 0.00 0.00 175.52 174.90 2f6m n TYR 104 N -4.61 0.83 -3.73 3.16 4.02 -0.75 -4.98 117.16 111.10 2f6m n TYR 104 Ca 0.07 -0.64 -0.22 0.00 -0.01 0.00 0.00 57.90 57.10 2f6m n TYR 104 Cb 0.04 -0.16 0.03 0.00 -0.02 0.00 0.00 39.34 39.23 2f6m n TYR 104 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2f6m n ASN 105 N 0.34 -1.42 -4.55 7.72 4.05 -0.02 -4.97 115.26 116.42 2f6m n ASN 105 Ca 0.18 -0.82 -0.41 0.00 0.45 0.00 0.00 54.58 53.97 2f6m n ASN 105 Cb 0.67 -4.00 -0.08 0.00 1.23 0.00 0.00 39.78 37.59 2f6m n ASN 105 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2f6m s ILE 106 N -3.65 5.08 0.21 -1.44 1.01 0.11 -5.02 121.20 117.48 2f6m s ILE 106 Ca 0.06 0.23 0.09 0.00 0.00 0.00 0.00 60.65 61.03 2f6m s ILE 106 Cb -0.03 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 2f6m s ILE 106 CO 0.82 -0.16 -0.17 0.42 0.00 0.00 0.00 174.94 175.84 2f6m s THR 107 N 2.24 1.93 -0.37 2.92 -4.23 -1.26 -4.64 115.64 112.23 2f6m s THR 107 Ca 0.16 -2.16 0.12 0.00 -1.18 0.00 0.00 61.69 58.63 2f6m s THR 107 Cb -0.16 -2.04 0.41 0.00 1.34 0.00 0.00 72.50 72.05 2f6m s THR 107 CO 0.13 -0.46 1.30 0.00 -0.54 0.00 0.00 174.62 175.05 2f6m n ALA 108 N -0.21 1.96 0.10 3.99 0.00 -1.26 -5.04 120.51 120.05 2f6m n ALA 108 Ca -0.09 -1.66 0.04 0.00 0.00 0.00 0.00 53.44 51.74 2f6m n ALA 108 Cb 0.59 -0.96 0.47 0.00 0.00 0.00 0.00 19.45 19.56 2f6m n ALA 108 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2f6m h SER 109 N 2.06 0.29 -0.37 0.00 4.64 -1.97 -0.89 113.55 117.31 2f6m h SER 109 Ca -0.27 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 60.88 2f6m h SER 109 Cb 1.28 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2f6m h SER 109 CO 0.03 0.27 -0.34 0.78 -0.87 0.00 0.00 176.83 176.70 2f6m h ASN 110 N 0.33 0.96 -0.17 4.97 4.21 -1.96 -1.91 115.58 122.01 2f6m h ASN 110 Ca 0.08 -0.42 -0.03 0.00 1.21 0.00 0.00 56.30 57.15 2f6m h ASN 110 Cb 0.07 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 36.99 2f6m h ASN 110 CO -0.01 1.20 0.00 0.00 -1.29 0.00 0.00 177.43 177.33 2f6m h ALA 111 N 0.85 0.23 -0.75 -0.83 0.00 -1.59 -2.54 119.26 114.64 2f6m h ALA 111 Ca 0.07 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.81 2f6m h ALA 111 Cb 0.92 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2f6m h ALA 111 CO 0.09 -0.06 0.48 0.82 0.00 0.00 0.00 179.25 180.57 2f6m h ILE 112 N 0.06 1.13 -0.71 0.00 1.08 -1.20 0.56 117.51 118.43 2f6m h ILE 112 Ca 0.05 -0.32 -0.03 0.00 -0.39 0.00 0.00 64.86 64.16 2f6m h ILE 112 Cb 0.38 0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 34.20 2f6m h ILE 112 CO 0.01 0.17 0.32 0.74 -0.69 0.00 0.00 178.15 178.71 2f6m h THR 113 N 0.95 1.24 -0.23 -0.27 2.02 -1.33 -1.22 112.91 114.07 2f6m h THR 113 Ca 0.29 -0.69 -0.09 0.00 0.77 0.00 0.00 66.41 66.70 2f6m h THR 113 Cb -0.02 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 66.77 2f6m h THR 113 CO -0.10 0.28 -0.20 -0.09 0.37 0.00 0.00 175.52 175.79 2f6m h ARG 114 N 0.99 0.54 -0.21 6.66 9.65 -0.98 -3.11 114.38 127.92 2f6m h ARG 114 Ca 0.24 -0.27 -0.03 0.00 -1.10 0.00 0.00 59.98 58.82 2f6m h ARG 114 Cb 0.14 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 2f6m h ARG 114 CO -0.03 0.85 0.00 -0.07 2.80 0.00 0.00 179.97 183.53 2f6m h LEU 115 N 0.25 0.28 -0.17 3.80 3.38 -0.81 -1.37 115.31 120.67 2f6m h LEU 115 Ca 0.04 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2f6m h LEU 115 Cb 0.74 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 2f6m h LEU 115 CO 0.05 0.33 -0.06 -0.33 0.09 0.00 0.00 178.44 178.52 2f6m h GLU 116 N 0.31 -0.03 0.16 1.13 4.39 -1.16 -3.30 114.58 116.07 2f6m h GLU 116 Ca 0.07 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2f6m h GLU 116 Cb 0.20 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2f6m h GLU 116 CO 0.00 -0.02 -0.08 -0.09 -1.16 0.00 0.00 179.01 177.67 2f6m h ARG 117 N -0.03 -0.20 -0.02 2.33 2.43 -1.40 -3.52 114.38 113.97 2f6m h ARG 117 Ca 0.09 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2f6m h ARG 117 Cb 0.17 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2f6m h ARG 117 CO -0.20 0.22 0.00 0.41 -1.51 0.00 0.00 179.97 178.89