#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f6m h LEU 17 N 0.00 0.00 -4.69 1.08 5.85 -2.10 -3.24 115.31 112.20 2f6m h LEU 17 Ca 0.00 0.00 -0.47 0.00 0.84 0.00 0.00 57.88 58.25 2f6m h LEU 17 Cb 0.00 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 40.62 2f6m h LEU 17 CO 0.00 0.29 -0.95 0.49 -0.34 0.00 0.00 178.44 177.93 2f6m n PHE 18 N -4.06 2.30 -0.02 1.25 3.01 -1.26 -4.88 117.46 113.81 2f6m n PHE 18 Ca -0.02 -2.80 -0.16 0.00 1.01 0.00 0.00 57.45 55.49 2f6m n PHE 18 Cb 0.35 -0.23 -0.11 0.00 -0.01 0.00 0.00 39.48 39.48 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 2.69 0.37 -2.58 1.38 2.76 -2.10 -3.46 115.15 114.21 2f6m h HIS 19 Ca 0.12 -0.19 -0.55 0.00 -2.20 0.00 0.00 60.37 57.56 2f6m h HIS 19 Cb 1.12 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 30.00 2f6m h HIS 19 CO 0.68 0.97 -0.49 -0.51 -1.30 0.00 0.00 177.93 177.27 2f6m s ASP 20 N -6.41 6.09 0.51 3.26 1.01 -1.26 -5.10 116.67 114.78 2f6m s ASP 20 Ca -0.15 0.07 -0.20 0.00 0.71 0.00 0.00 52.55 52.99 2f6m s ASP 20 Cb 0.02 -1.76 -0.07 0.00 1.01 0.00 0.00 42.92 42.11 2f6m s ASP 20 CO 0.76 0.05 1.08 -1.61 0.21 0.00 0.00 175.17 175.66 2f6m s GLU 21 N -3.24 3.60 -0.14 8.23 2.02 -1.26 -5.07 118.70 122.85 2f6m s GLU 21 Ca 0.33 1.46 0.01 0.00 0.02 0.00 0.00 54.97 56.79 2f6m s GLU 21 Cb -0.11 -2.06 -0.00 0.00 0.10 0.00 0.00 34.13 32.07 2f6m s GLU 21 CO 0.27 -0.62 -0.17 0.08 0.02 0.00 0.00 175.26 174.84 2f6m s VAL 22 N -1.92 2.52 0.69 2.63 1.01 -1.26 -5.12 120.40 118.95 2f6m s VAL 22 Ca 0.69 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 2f6m s VAL 22 Cb -0.19 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.16 2f6m s VAL 22 CO 0.23 0.53 1.14 -2.16 0.00 0.00 0.00 175.10 174.84 2f6m s PRO 23 N 0.69 2.53 0.20 2.72 0.04 -1.26 -4.95 135.00 134.97 2f6m s PRO 23 Ca -0.08 1.50 -0.11 0.00 0.04 0.00 0.00 61.00 62.34 2f6m s PRO 23 Cb -0.16 -1.91 0.14 0.00 0.04 0.00 0.00 34.50 32.61 2f6m s PRO 23 CO 0.02 -1.48 1.87 1.25 0.04 0.00 0.00 177.00 178.69 2f6m h LEU 24 N -0.17 0.80 -8.68 -3.56 5.85 -2.08 -3.41 115.31 104.06 2f6m h LEU 24 Ca -0.47 -0.02 -0.70 0.00 0.84 0.00 0.00 57.88 57.53 2f6m h LEU 24 Cb 1.26 -0.20 -0.28 0.00 0.37 0.00 0.00 40.66 41.81 2f6m h LEU 24 CO 0.52 0.58 -0.87 -0.36 -0.34 0.00 0.00 178.44 177.97 2f6m s PHE 25 N -6.14 2.38 0.42 1.25 0.40 -1.26 -5.12 117.98 109.92 2f6m s PHE 25 Ca -0.13 -0.39 -0.24 0.00 -0.60 0.00 0.00 56.93 55.57 2f6m s PHE 25 Cb 0.14 -1.50 -0.10 0.00 0.51 0.00 0.00 43.02 42.07 2f6m s PHE 25 CO 0.77 0.03 0.98 -3.47 0.70 0.00 0.00 175.22 174.23 2f6m n ASP 26 N 2.27 1.12 0.24 1.36 2.03 -1.26 -4.88 116.55 117.42 2f6m n ASP 26 Ca -0.16 1.02 0.14 0.00 0.52 0.00 0.00 54.79 56.31 2f6m n ASP 26 Cb 0.51 -1.34 0.79 0.00 -0.72 0.00 0.00 41.12 40.36 2f6m n ASP 26 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2f6m h ASN 27 N 1.46 0.00 -0.25 1.67 -1.07 -1.99 -2.29 115.58 113.11 2f6m h ASN 27 Ca -0.44 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 55.84 2f6m h ASN 27 Cb 1.34 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.54 2f6m h ASN 27 CO 0.56 0.00 -0.08 -1.54 0.07 0.00 0.00 177.43 176.44 2f6m n SER 28 N -4.11 2.82 -4.70 6.14 3.41 -1.26 -5.03 113.62 110.90 2f6m n SER 28 Ca -0.01 -3.46 -0.44 0.00 -0.26 0.00 0.00 58.87 54.70 2f6m n SER 28 Cb 0.19 -0.57 -0.02 0.00 -0.26 0.00 0.00 64.21 63.55 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 -0.98 0.82 -1.75 -1.33 3.06 -0.86 -4.97 119.36 113.35 2f6m n ILE 29 Ca 0.26 -0.20 -0.31 0.00 -2.50 0.00 0.00 62.75 59.99 2f6m n ILE 29 Cb 0.91 -1.66 0.03 0.00 0.54 0.00 0.00 39.64 39.46 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 0.13 4.16 0.19 9.51 -4.23 -1.26 -4.93 115.64 119.22 2f6m s THR 30 Ca 0.68 0.76 -0.11 0.00 -1.18 0.00 0.00 61.69 61.84 2f6m s THR 30 Cb -0.60 -3.51 0.11 0.00 1.34 0.00 0.00 72.50 69.84 2f6m s THR 30 CO 0.47 -0.86 1.82 -1.28 -0.54 0.00 0.00 174.62 174.23 2f6m h SER 31 N -0.38 0.56 -0.71 3.99 0.87 -1.99 -1.98 113.55 113.92 2f6m h SER 31 Ca -0.44 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.11 2f6m h SER 31 Cb 1.21 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.03 2f6m h SER 31 CO 0.58 0.38 0.35 0.07 -0.53 0.00 0.00 176.83 177.69 2f6m h LYS 32 N 0.69 1.01 -0.58 2.24 2.10 -1.99 -1.24 116.57 118.80 2f6m h LYS 32 Ca 0.25 -0.14 -0.10 0.00 -2.00 0.00 0.00 60.65 58.66 2f6m h LYS 32 Cb 0.07 -0.19 -0.02 0.00 -0.90 0.00 0.00 32.23 31.19 2f6m h LYS 32 CO -0.13 0.78 -0.05 -0.44 -2.00 0.00 0.00 179.45 177.62 2f6m h ASP 33 N 0.98 1.03 -0.56 7.07 3.32 -1.90 -1.26 116.42 125.10 2f6m h ASP 33 Ca 0.24 -0.31 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 2f6m h ASP 33 Cb 0.09 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2f6m h ASP 33 CO -0.03 1.10 -0.05 0.50 -1.72 0.00 0.00 179.24 179.04 2f6m h LYS 34 N 0.94 1.03 -0.89 3.56 3.64 -1.16 -1.69 116.57 122.00 2f6m h LYS 34 Ca 0.16 -0.35 0.02 0.00 -1.27 0.00 0.00 60.65 59.21 2f6m h LYS 34 Cb 0.60 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.29 2f6m h LYS 34 CO 0.04 1.03 0.59 0.93 -2.27 0.00 0.00 179.45 179.77 2f6m h GLU 35 N 0.93 1.14 -0.24 1.90 5.08 -1.05 -1.83 114.58 120.52 2f6m h GLU 35 Ca 0.16 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2f6m h GLU 35 Cb 0.60 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2f6m h GLU 35 CO 0.04 0.75 0.12 0.28 -1.00 0.00 0.00 179.01 179.20 2f6m h VAL 36 N 1.17 1.13 -0.30 3.13 2.07 -0.70 -1.34 116.25 121.42 2f6m h VAL 36 Ca 0.34 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.49 2f6m h VAL 36 Cb -0.07 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2f6m h VAL 36 CO -0.09 0.13 0.19 0.40 0.02 0.00 0.00 177.57 178.22 2f6m h ILE 37 N 0.26 1.06 -0.75 4.57 1.08 -1.06 -0.04 117.51 122.63 2f6m h ILE 37 Ca 0.08 -0.13 0.02 0.00 -0.39 0.00 0.00 64.86 64.43 2f6m h ILE 37 Cb 0.10 0.64 -0.04 0.00 -3.07 0.00 0.00 36.82 34.45 2f6m h ILE 37 CO -0.01 0.07 0.49 -0.33 -0.69 0.00 0.00 178.15 177.68 2f6m h GLU 38 N 0.39 0.95 -0.34 2.37 5.08 -1.28 0.78 114.58 122.54 2f6m h GLU 38 Ca 0.11 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2f6m h GLU 38 Cb -0.03 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 2f6m h GLU 38 CO -0.03 0.63 0.16 1.15 -1.00 0.00 0.00 179.01 179.91 2f6m h THR 39 N 0.98 1.17 -0.51 1.13 2.02 -0.89 -2.52 112.91 114.29 2f6m h THR 39 Ca 0.28 -0.48 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 2f6m h THR 39 Cb -0.07 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 2f6m h THR 39 CO -0.08 0.18 0.23 -0.07 0.37 0.00 0.00 175.52 176.15 2f6m h LEU 40 N 0.41 0.64 -1.09 2.58 3.38 -0.52 -1.70 115.31 119.01 2f6m h LEU 40 Ca 0.12 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2f6m h LEU 40 Cb 0.13 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2f6m h LEU 40 CO -0.01 0.56 0.04 0.77 0.09 0.00 0.00 178.44 179.89 2f6m h SER 41 N 0.72 0.64 -0.20 -0.43 4.64 -0.58 -1.35 113.55 116.99 2f6m h SER 41 Ca 0.18 -0.13 -0.11 0.00 -0.47 0.00 0.00 61.79 61.26 2f6m h SER 41 Cb 0.10 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2f6m h SER 41 CO -0.02 0.69 -0.31 -0.33 -0.87 0.00 0.00 176.83 175.99 2f6m h GLU 42 N 0.65 0.56 -0.19 4.77 4.39 -0.97 -1.44 114.58 122.35 2f6m h GLU 42 Ca 0.14 -0.34 0.02 0.00 0.34 0.00 0.00 59.36 59.52 2f6m h GLU 42 Cb 0.35 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 2f6m h GLU 42 CO 0.01 0.94 0.06 0.82 -1.16 0.00 0.00 179.01 179.68 2f6m h ILE 43 N 0.23 0.94 -0.48 3.13 2.04 -1.21 -1.42 117.51 120.74 2f6m h ILE 43 Ca 0.02 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 65.90 2f6m h ILE 43 Cb 0.89 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 2f6m h ILE 43 CO 0.07 0.03 0.15 0.22 0.00 0.00 0.00 178.15 178.61 2f6m h TYR 44 N 0.14 0.25 -0.96 1.37 3.20 -1.26 -1.49 116.97 118.22 2f6m h TYR 44 Ca 0.08 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.02 2f6m h TYR 44 Cb 0.06 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.23 2f6m h TYR 44 CO -0.12 0.06 0.63 1.03 -1.64 0.00 0.00 178.16 178.12 2f6m h SER 45 N 0.30 1.03 -0.24 -2.11 0.87 -0.98 -1.97 113.55 110.45 2f6m h SER 45 Ca 0.24 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.69 2f6m h SER 45 Cb 0.27 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2f6m h SER 45 CO -0.27 0.70 -0.24 0.40 -0.53 0.00 0.00 176.83 176.90 2f6m h ILE 46 N 1.20 1.31 -0.61 2.23 2.04 -0.79 -1.46 117.51 121.43 2f6m h ILE 46 Ca 0.39 -1.40 0.05 0.00 1.00 0.00 0.00 64.86 64.90 2f6m h ILE 46 Cb 0.03 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 2f6m h ILE 46 CO -0.13 0.44 0.34 0.58 0.00 0.00 0.00 178.15 179.38 2f6m h VAL 47 N 0.30 1.00 -0.03 1.67 2.07 -1.06 0.11 116.25 120.31 2f6m h VAL 47 Ca 0.04 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2f6m h VAL 47 Cb 0.79 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2f6m h VAL 47 CO 0.06 0.12 -0.01 0.40 0.02 0.00 0.00 177.57 178.15 2f6m h ILE 48 N 0.65 1.33 -0.33 4.57 1.08 -1.35 -2.53 117.51 120.93 2f6m h ILE 48 Ca 0.26 -1.01 0.01 0.00 -0.39 0.00 0.00 64.86 63.74 2f6m h ILE 48 Cb 0.12 1.95 -0.02 0.00 -3.07 0.00 0.00 36.82 35.80 2f6m h ILE 48 CO -0.15 0.27 0.19 0.74 -0.69 0.00 0.00 178.15 178.51 2f6m h THR 49 N -0.34 1.03 -0.69 -0.27 2.02 -1.15 -2.83 112.91 110.68 2f6m h THR 49 Ca 0.01 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2f6m h THR 49 Cb 0.44 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 2f6m h THR 49 CO 0.00 0.07 0.39 0.25 0.37 0.00 0.00 175.52 176.60 2f6m h LEU 50 N 0.39 0.85 -0.60 2.58 5.85 -0.82 -1.15 115.31 122.41 2f6m h LEU 50 Ca 0.13 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.84 2f6m h LEU 50 Cb 0.01 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.76 2f6m h LEU 50 CO -0.07 0.69 0.27 -0.78 -0.34 0.00 0.00 178.44 178.22 2f6m h ASP 51 N 0.95 0.35 0.17 1.25 3.58 -1.28 -0.33 116.42 121.11 2f6m h ASP 51 Ca 0.24 0.05 -0.12 0.00 0.42 0.00 0.00 57.03 57.63 2f6m h ASP 51 Cb 0.02 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2f6m h ASP 51 CO -0.04 0.22 -0.42 0.45 -2.88 0.00 0.00 179.24 176.56 2f6m h HIS 52 N 0.50 0.38 -0.25 0.28 3.86 -1.23 -1.47 115.15 117.23 2f6m h HIS 52 Ca 0.29 -0.11 -0.03 0.00 -1.16 0.00 0.00 60.37 59.36 2f6m h HIS 52 Cb 0.28 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 2f6m h HIS 52 CO -0.13 0.70 0.03 0.28 0.86 0.00 0.00 177.93 179.67 2f6m h VAL 53 N 0.27 1.24 -0.64 2.45 2.07 -0.43 -0.00 116.25 121.20 2f6m h VAL 53 Ca 0.02 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 2f6m h VAL 53 Cb 0.86 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 2f6m h VAL 53 CO 0.07 0.25 0.15 -0.08 0.02 0.00 0.00 177.57 177.98 2f6m h GLU 54 N 0.21 1.02 -0.60 1.57 4.22 -1.01 -1.06 114.58 118.94 2f6m h GLU 54 Ca 0.07 -0.25 -0.05 0.00 0.08 0.00 0.00 59.36 59.21 2f6m h GLU 54 Cb 0.35 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2f6m h GLU 54 CO 0.01 0.93 0.15 0.87 -2.18 0.00 0.00 179.01 178.79 2f6m h LYS 55 N 0.94 0.92 -0.46 1.92 1.57 -1.23 -2.43 116.57 117.81 2f6m h LYS 55 Ca 0.20 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 2f6m h LYS 55 Cb 0.37 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2f6m h LYS 55 CO 0.00 0.82 -0.07 0.00 -0.57 0.00 0.00 179.45 179.63 2f6m h ALA 56 N 1.28 1.03 -0.21 3.86 0.00 -0.57 -3.09 119.26 121.56 2f6m h ALA 56 Ca 0.19 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 2f6m h ALA 56 Cb 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2f6m h ALA 56 CO -0.00 0.59 -0.43 -0.92 0.00 0.00 0.00 179.25 178.49 2f6m h TYR 57 N 0.73 0.62 0.00 0.00 3.20 -0.97 -2.87 116.97 117.67 2f6m h TYR 57 Ca 0.13 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 2f6m h TYR 57 Cb 0.54 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 2f6m h TYR 57 CO 0.03 0.86 -0.07 -0.07 -1.64 0.00 0.00 178.16 177.27 2f6m h LEU 58 N 0.42 0.00 0.00 2.82 3.38 -1.36 -3.41 115.31 117.16 2f6m h LEU 58 Ca 0.03 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.56 2f6m h LEU 58 Cb 0.93 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.77 2f6m h LEU 58 CO 0.08 0.07 0.15 0.29 0.09 0.00 0.00 178.44 179.13 2f6m n LYS 59 N -3.57 -0.26 -1.16 1.13 5.02 -1.09 -4.99 118.16 113.23 2f6m n LYS 59 Ca -0.02 -2.51 -0.24 0.00 -2.02 0.00 0.00 58.31 53.52 2f6m n LYS 59 Cb 0.19 -0.74 0.03 0.00 -0.02 0.00 0.00 35.03 34.49 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 -3.05 6.82 0.02 4.39 8.00 -1.26 -4.46 116.55 127.00 2f6m n ASP 60 Ca 0.16 -3.30 -0.12 0.00 0.71 0.00 0.00 54.79 52.25 2f6m n ASP 60 Cb 0.56 -1.07 -0.14 0.00 -0.02 0.00 0.00 41.12 40.45 2f6m n ASP 60 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2f6m h SER 61 N 1.95 0.13 -3.70 -2.24 0.02 -1.82 -3.47 113.55 104.43 2f6m h SER 61 Ca 0.40 -0.23 -0.25 0.00 -0.84 0.00 0.00 61.79 60.88 2f6m h SER 61 Cb 0.81 -0.04 -0.29 0.00 0.14 0.00 0.00 62.40 63.01 2f6m h SER 61 CO 1.01 1.19 -0.72 -0.63 -1.14 0.00 0.00 176.83 176.54 2f6m s ILE 62 N -2.62 0.01 0.87 3.27 1.09 -1.25 -5.03 121.20 117.54 2f6m s ILE 62 Ca -0.06 0.03 -0.13 0.00 -1.10 0.00 0.00 60.65 59.38 2f6m s ILE 62 Cb 0.08 -0.04 0.13 0.00 -1.06 0.00 0.00 42.46 41.58 2f6m s ILE 62 CO 0.82 0.02 1.23 1.51 -0.10 0.00 0.00 174.94 178.43 2f6m s ASP 63 N 0.17 3.89 0.19 3.58 1.47 -1.26 -4.75 116.67 119.96 2f6m s ASP 63 Ca -0.01 0.52 -0.12 0.00 1.18 0.00 0.00 52.55 54.11 2f6m s ASP 63 Cb -0.02 -0.81 0.16 0.00 -0.34 0.00 0.00 42.92 41.91 2f6m s ASP 63 CO -0.00 -2.26 1.80 0.44 0.68 0.00 0.00 175.17 175.82 2f6m h ASP 64 N -1.29 0.46 -0.06 2.11 3.32 -1.99 -1.74 116.42 117.23 2f6m h ASP 64 Ca -0.45 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 2f6m h ASP 64 Cb 1.29 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 2f6m h ASP 64 CO 0.53 0.31 0.03 0.74 -1.72 0.00 0.00 179.24 179.13 2f6m h THR 65 N 0.59 1.09 -0.17 0.35 2.02 -1.99 -0.73 112.91 114.07 2f6m h THR 65 Ca 0.24 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 67.20 2f6m h THR 65 Cb 0.12 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 2f6m h THR 65 CO -0.15 0.07 0.04 1.56 0.37 0.00 0.00 175.52 177.42 2f6m h GLN 66 N -0.00 0.11 0.20 6.66 4.20 -1.91 -1.33 115.11 123.05 2f6m h GLN 66 Ca 0.02 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2f6m h GLN 66 Cb 0.09 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 2f6m h GLN 66 CO -0.00 0.07 -0.21 -0.92 -0.67 0.00 0.00 178.83 177.10 2f6m h TYR 67 N 0.12 -0.55 0.06 2.96 3.20 -1.19 -0.65 116.97 120.91 2f6m h TYR 67 Ca 0.08 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 2f6m h TYR 67 Cb 0.06 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.55 2f6m h TYR 67 CO -0.13 -0.31 -0.04 1.15 -1.64 0.00 0.00 178.16 177.19 2f6m h THR 68 N -0.45 0.91 -0.64 1.81 2.02 -1.02 0.11 112.91 115.66 2f6m h THR 68 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2f6m h THR 68 Cb 0.42 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 2f6m h THR 68 CO -0.05 0.00 0.35 0.78 0.37 0.00 0.00 175.52 176.97 2f6m h ASN 69 N -0.10 0.79 -0.26 4.18 2.35 -1.24 -1.10 115.58 120.21 2f6m h ASN 69 Ca -0.00 -0.09 -0.12 0.00 -0.55 0.00 0.00 56.30 55.53 2f6m h ASN 69 Cb 0.09 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 2f6m h ASN 69 CO -0.00 0.66 -0.31 0.74 -1.65 0.00 0.00 177.43 176.87 2f6m h THR 70 N 0.87 1.31 -0.18 2.81 2.02 -0.96 -1.97 112.91 116.80 2f6m h THR 70 Ca 0.22 -1.49 -0.02 0.00 0.77 0.00 0.00 66.41 65.89 2f6m h THR 70 Cb 0.04 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2f6m h THR 70 CO -0.04 0.47 0.02 0.58 0.37 0.00 0.00 175.52 176.92 2f6m h VAL 71 N 0.40 1.24 -0.81 3.16 2.07 -0.92 -1.70 116.25 119.68 2f6m h VAL 71 Ca 0.04 -0.78 0.10 0.00 0.82 0.00 0.00 66.70 66.87 2f6m h VAL 71 Cb 0.89 1.40 -0.08 0.00 -1.52 0.00 0.00 31.29 31.98 2f6m h VAL 71 CO 0.07 0.24 0.45 0.44 0.02 0.00 0.00 177.57 178.79 2f6m h ASP 72 N 0.08 0.63 -0.55 0.57 3.45 -1.22 0.67 116.42 120.05 2f6m h ASP 72 Ca 0.05 0.05 -0.08 0.00 0.43 0.00 0.00 57.03 57.49 2f6m h ASP 72 Cb 0.34 -0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 39.03 2f6m h ASP 72 CO 0.01 0.35 0.03 0.11 -1.57 0.00 0.00 179.24 178.17 2f6m h LYS 73 N 0.75 0.95 -0.42 3.56 1.57 -1.20 -0.80 116.57 120.97 2f6m h LYS 73 Ca 0.40 -0.29 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 2f6m h LYS 73 Cb 0.40 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2f6m h LYS 73 CO -0.26 0.94 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.45 2f6m h LEU 74 N 0.83 0.75 -0.66 2.94 3.38 -0.83 -1.64 115.31 120.08 2f6m h LEU 74 Ca 0.16 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 2f6m h LEU 74 Cb 0.49 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2f6m h LEU 74 CO 0.02 0.90 0.25 -0.07 0.09 0.00 0.00 178.44 179.64 2f6m h LEU 75 N 0.59 0.92 -0.71 1.67 3.38 -0.79 -0.53 115.31 119.83 2f6m h LEU 75 Ca 0.11 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2f6m h LEU 75 Cb 0.54 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2f6m h LEU 75 CO 0.03 0.85 0.31 0.11 0.09 0.00 0.00 178.44 179.83 2f6m h LYS 76 N 0.94 1.04 -0.20 1.13 1.57 -1.03 -1.82 116.57 118.19 2f6m h LYS 76 Ca 0.22 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 2f6m h LYS 76 Cb 0.22 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2f6m h LYS 76 CO -0.02 0.84 -0.47 1.96 -0.57 0.00 0.00 179.45 181.19 2f6m h GLN 77 N 1.00 0.53 -0.56 3.15 4.20 -1.14 -2.75 115.11 119.55 2f6m h GLN 77 Ca 0.24 -0.30 0.02 0.00 0.06 0.00 0.00 58.65 58.67 2f6m h GLN 77 Cb 0.17 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 2f6m h GLN 77 CO -0.02 0.89 0.35 0.35 -0.67 0.00 0.00 178.83 179.73 2f6m h PHE 78 N 0.42 0.67 -0.40 2.96 3.57 -0.83 -1.93 116.94 121.40 2f6m h PHE 78 Ca 0.02 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2f6m h PHE 78 Cb 0.99 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 2f6m h PHE 78 CO 0.04 0.39 0.13 0.87 -2.23 0.00 0.00 178.31 177.51 2f6m h LYS 79 N 0.71 0.62 0.04 1.11 1.57 -1.28 -1.14 116.57 118.20 2f6m h LYS 79 Ca 0.22 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 2f6m h LYS 79 Cb -0.02 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 2f6m h LYS 79 CO -0.08 0.61 -0.39 0.28 -0.57 0.00 0.00 179.45 179.31 2f6m h VAL 80 N 0.50 0.20 -0.95 0.50 2.07 -1.29 -1.26 116.25 116.02 2f6m h VAL 80 Ca 0.13 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.69 2f6m h VAL 80 Cb 0.25 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 2f6m h VAL 80 CO -0.00 0.00 0.62 1.88 0.02 0.00 0.00 177.57 180.09 2f6m h TYR 81 N -0.57 1.16 0.00 1.57 0.99 -1.27 -2.22 116.97 116.63 2f6m h TYR 81 Ca 0.04 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.75 2f6m h TYR 81 Cb 0.63 -0.39 -0.01 0.00 1.00 0.00 0.00 36.73 37.97 2f6m h TYR 81 CO -0.38 0.67 -0.25 1.25 -0.00 0.00 0.00 178.16 179.45 2f6m h LEU 82 N 1.20 0.00 -5.94 3.88 5.85 -0.77 -3.34 115.31 116.19 2f6m h LEU 82 Ca 0.38 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 58.56 2f6m h LEU 82 Cb 0.01 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 40.64 2f6m h LEU 82 CO -0.12 0.25 -1.04 -0.46 -0.34 0.00 0.00 178.44 176.74 2f6m n ASN 83 N -3.76 1.32 0.00 1.25 0.23 -0.51 -4.76 115.26 109.03 2f6m n ASN 83 Ca -0.01 -3.01 0.00 0.00 -0.53 0.00 0.00 54.58 51.02 2f6m n ASN 83 Cb 0.35 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.43 2f6m n ASN 83 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2f6m n SER 84 N 0.71 0.00 -4.55 0.53 2.88 -1.04 -4.88 113.62 107.27 2f6m n SER 84 Ca 0.25 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.41 2f6m n SER 84 Cb 0.55 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.98 2f6m n SER 84 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2f6m s GLN 85 N 1.54 2.37 -0.86 -1.46 -1.52 -1.26 -3.35 119.66 115.12 2f6m s GLN 85 Ca 0.00 1.06 -0.02 0.00 -1.95 0.00 0.00 55.36 54.44 2f6m s GLN 85 Cb 0.00 -4.49 0.00 0.00 -0.22 0.00 0.00 33.01 28.31 2f6m s GLN 85 CO 0.00 -3.00 0.73 0.09 -0.25 0.00 0.00 175.29 172.86 2f6m n ASN 86 N 14.34 -3.12 -0.32 5.90 3.02 -1.26 -4.87 115.26 128.95 2f6m n ASN 86 Ca 0.29 -0.40 0.07 0.00 -0.03 0.00 0.00 54.58 54.50 2f6m n ASN 86 Cb 0.53 -3.64 0.22 0.00 -0.61 0.00 0.00 39.78 36.29 2f6m n ASN 86 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2f6m h LYS 87 N -1.50 0.80 -0.16 3.52 3.64 -1.85 -0.49 116.57 120.52 2f6m h LYS 87 Ca -0.40 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 58.82 2f6m h LYS 87 Cb 1.24 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2f6m h LYS 87 CO 0.36 0.53 -0.38 1.49 -2.27 0.00 0.00 179.45 179.17 2f6m h GLU 88 N 0.82 0.36 -0.02 1.90 4.57 -1.92 -2.57 114.58 117.72 2f6m h GLU 88 Ca 0.47 -0.17 -0.25 0.00 -1.18 0.00 0.00 59.36 58.23 2f6m h GLU 88 Cb 0.54 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.14 2f6m h GLU 88 CO -0.30 0.69 -0.98 0.93 -1.18 0.00 0.00 179.01 178.18 2f6m h GLU 89 N 0.30 0.64 0.00 1.92 3.07 -1.63 -2.09 114.58 116.79 2f6m h GLU 89 Ca 0.03 -0.66 0.00 0.00 -0.50 0.00 0.00 59.36 58.23 2f6m h GLU 89 Cb 0.82 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 2f6m h GLU 89 CO 0.07 1.26 0.00 -0.84 -1.40 0.00 0.00 179.01 178.09 2f6m h ILE 90 N 0.37 0.00 0.00 3.13 3.07 -1.12 0.39 117.51 123.35 2f6m h ILE 90 Ca -0.11 -0.59 -0.13 0.00 1.55 0.00 0.00 64.86 65.59 2f6m h ILE 90 Cb 1.62 1.53 -0.02 0.00 -0.27 0.00 0.00 36.82 39.68 2f6m h ILE 90 CO 0.19 0.00 -1.18 -1.13 -1.05 0.00 0.00 178.15 174.97 2f6m h ASN 91 N 0.00 0.00 0.35 2.16 -1.24 -1.46 -2.19 115.58 113.20 2f6m h ASN 91 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.69 2f6m h ASN 91 Cb 0.68 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.74 2f6m h ASN 91 CO 0.00 0.45 -1.56 0.50 -1.29 0.00 0.00 177.43 175.53 2f6m h LYS 92 N 0.00 0.36 -0.52 6.67 3.64 -1.14 -3.35 116.57 122.23 2f6m h LYS 92 Ca -0.11 -0.61 -0.10 0.00 -1.27 0.00 0.00 60.65 58.56 2f6m h LYS 92 Cb 1.44 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 33.47 2f6m h LYS 92 CO 0.04 1.26 -0.08 1.25 -2.27 0.00 0.00 179.45 179.65 2f6m h HIS 93 N 0.10 1.04 -3.40 1.91 2.76 -0.33 -3.43 115.15 113.79 2f6m h HIS 93 Ca -0.27 -0.20 -0.39 0.00 -2.20 0.00 0.00 60.37 57.32 2f6m h HIS 93 Cb 2.07 -0.26 -0.36 0.00 1.55 0.00 0.00 27.41 30.41 2f6m h HIS 93 CO 0.09 0.97 -0.76 0.12 -1.30 0.00 0.00 177.93 177.05 2f6m s PHE 94 N -4.87 0.49 0.59 5.26 5.36 -0.82 -5.06 117.98 118.92 2f6m s PHE 94 Ca -0.11 -0.07 0.09 0.00 -0.96 0.00 0.00 56.93 55.88 2f6m s PHE 94 Cb 0.13 -0.58 0.09 0.00 -0.34 0.00 0.00 43.02 42.33 2f6m s PHE 94 CO 0.85 -0.20 0.82 1.14 -1.46 0.00 0.00 175.22 176.36 2f6m s GLN 95 N 1.36 2.23 4.20 10.12 -2.07 -1.26 -4.21 119.66 130.03 2f6m s GLN 95 Ca -0.05 -1.62 0.00 0.00 -1.82 0.00 0.00 55.36 51.87 2f6m s GLN 95 Cb -0.13 -2.62 0.00 0.00 -1.09 0.00 0.00 33.01 29.17 2f6m s GLN 95 CO -0.02 -0.93 0.00 0.43 -1.32 0.00 0.00 175.29 173.44 2f6m n SER 96 N -2.31 0.00 0.07 12.60 7.64 -1.26 -4.57 113.62 125.79 2f6m n SER 96 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2f6m n SER 96 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 2f6m n SER 96 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2f6m n ILE 97 N 0.00 0.37 -0.33 0.44 5.41 -1.26 -4.86 119.36 119.14 2f6m n ILE 97 Ca 0.00 0.12 0.07 0.00 1.00 0.00 0.00 62.75 63.94 2f6m n ILE 97 Cb 0.00 -0.81 0.31 0.00 -0.71 0.00 0.00 39.64 38.43 2f6m n ILE 97 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 2f6m n GLU 98 N -3.20 3.59 0.23 0.38 0.28 -1.26 -3.97 120.64 116.69 2f6m n GLU 98 Ca 0.00 -2.41 0.14 0.00 -0.16 0.00 0.00 57.16 54.73 2f6m n GLU 98 Cb 0.00 -1.91 0.38 0.00 1.43 0.00 0.00 31.44 31.34 2f6m n GLU 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2f6m h ALA 99 N 3.77 1.00 -0.30 -1.84 0.00 -1.89 -3.17 119.26 116.83 2f6m h ALA 99 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2f6m h ALA 99 Cb 1.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2f6m h ALA 99 CO 0.27 0.00 0.09 0.35 0.00 0.00 0.00 179.25 179.97 2f6m h PHE 100 N 0.00 0.49 0.00 0.00 3.57 -1.83 -1.96 116.94 117.21 2f6m h PHE 100 Ca 0.00 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 2f6m h PHE 100 Cb 0.79 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 2f6m h PHE 100 CO 0.00 0.50 -0.16 0.00 -2.23 0.00 0.00 178.31 176.42 2f6m h ALA 101 N 0.93 1.58 0.41 2.41 0.00 -1.84 -2.34 119.26 120.40 2f6m h ALA 101 Ca 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2f6m h ALA 101 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2f6m h ALA 101 CO -0.00 0.20 -0.19 0.22 0.00 0.00 0.00 179.25 179.48 2f6m h ASP 102 N 0.00 -0.46 -0.68 0.00 1.82 -1.46 0.55 116.42 116.19 2f6m h ASP 102 Ca -0.00 0.02 0.11 0.00 -0.39 0.00 0.00 57.03 56.76 2f6m h ASP 102 Cb 0.32 0.12 -0.08 0.00 0.68 0.00 0.00 39.33 40.37 2f6m h ASP 102 CO 0.02 -0.21 0.28 0.74 -1.61 0.00 0.00 179.24 178.46 2f6m h THR 103 N -0.79 0.75 -0.56 2.25 2.02 -1.35 -2.07 112.91 113.16 2f6m h THR 103 Ca -0.06 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2f6m h THR 103 Cb 0.42 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 2f6m h THR 103 CO 0.09 0.08 0.00 -1.22 0.37 0.00 0.00 175.52 174.85 2f6m n TYR 104 N -4.97 1.44 -3.88 3.16 4.02 -0.88 -4.95 117.16 111.09 2f6m n TYR 104 Ca 0.11 -0.55 -0.26 0.00 -0.01 0.00 0.00 57.90 57.19 2f6m n TYR 104 Cb 0.32 -0.28 0.01 0.00 -0.02 0.00 0.00 39.34 39.37 2f6m n TYR 104 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2f6m n ASN 105 N 0.88 -1.62 -4.70 7.72 3.02 -0.78 -4.93 115.26 114.86 2f6m n ASN 105 Ca 0.23 -0.90 -0.42 0.00 -0.03 0.00 0.00 54.58 53.46 2f6m n ASN 105 Cb 0.87 -3.53 -0.03 0.00 -0.61 0.00 0.00 39.78 36.48 2f6m n ASN 105 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2f6m s ILE 106 N -3.69 4.86 -0.82 2.41 1.01 0.12 -5.00 121.20 120.10 2f6m s ILE 106 Ca 0.18 1.93 -0.09 0.00 0.00 0.00 0.00 60.65 62.67 2f6m s ILE 106 Cb -0.09 -4.26 0.21 0.00 0.01 0.00 0.00 42.46 38.33 2f6m s ILE 106 CO 0.85 0.10 0.72 -0.89 0.00 0.00 0.00 174.94 175.73 2f6m s THR 107 N 1.44 4.96 -0.41 2.92 2.01 -1.26 -4.84 115.64 120.47 2f6m s THR 107 Ca 0.47 -2.92 0.09 0.00 0.31 0.00 0.00 61.69 59.64 2f6m s THR 107 Cb -0.19 -4.09 0.32 0.00 0.01 0.00 0.00 72.50 68.55 2f6m s THR 107 CO 0.22 -1.01 0.84 0.00 -0.69 0.00 0.00 174.62 173.97 2f6m n ALA 108 N 3.45 0.88 -0.26 7.40 0.00 -1.26 -5.00 120.51 125.73 2f6m n ALA 108 Ca 0.14 -2.62 0.08 0.00 0.00 0.00 0.00 53.44 51.05 2f6m n ALA 108 Cb 0.42 -1.02 0.32 0.00 0.00 0.00 0.00 19.45 19.17 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 3.21 0.74 -0.30 0.00 4.64 -1.98 -2.22 113.55 117.64 2f6m h SER 109 Ca 0.01 0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.17 2f6m h SER 109 Cb 1.01 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2f6m h SER 109 CO 0.36 0.44 -0.53 0.78 -0.87 0.00 0.00 176.83 177.02 2f6m h ASN 110 N 0.83 0.98 -0.40 4.97 4.21 -1.94 -3.29 115.58 120.94 2f6m h ASN 110 Ca 0.39 -0.52 -0.10 0.00 1.21 0.00 0.00 56.30 57.28 2f6m h ASN 110 Cb 0.41 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.31 2f6m h ASN 110 CO -0.16 1.32 -0.13 0.00 -1.29 0.00 0.00 177.43 177.17 2f6m h ALA 111 N 0.70 0.90 -1.00 -0.83 0.00 -1.73 -3.02 119.26 114.28 2f6m h ALA 111 Ca 0.02 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.64 2f6m h ALA 111 Cb 1.14 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 2f6m h ALA 111 CO 0.12 0.63 0.65 0.82 0.00 0.00 0.00 179.25 181.47 2f6m h ILE 112 N 0.77 1.14 -0.33 0.00 1.08 -1.51 -2.90 117.51 115.77 2f6m h ILE 112 Ca 0.12 -0.42 -0.16 0.00 -0.39 0.00 0.00 64.86 64.01 2f6m h ILE 112 Cb 0.64 -0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 34.19 2f6m h ILE 112 CO 0.04 0.23 -0.41 0.74 -0.69 0.00 0.00 178.15 178.06 2f6m h THR 113 N 1.23 1.28 0.00 -0.27 2.02 -1.59 -2.86 112.91 112.72 2f6m h THR 113 Ca 0.41 -1.59 -0.11 0.00 0.77 0.00 0.00 66.41 65.88 2f6m h THR 113 Cb 0.06 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 2f6m h THR 113 CO -0.14 0.52 -0.55 -0.09 0.37 0.00 0.00 175.52 175.64 2f6m h ARG 114 N 0.67 0.00 0.00 6.66 9.65 -1.50 -3.20 114.38 126.66 2f6m h ARG 114 Ca 0.05 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 2f6m h ARG 114 Cb 0.99 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.57 2f6m h ARG 114 CO 0.09 0.55 -0.27 -0.07 2.80 0.00 0.00 179.97 183.07 2f6m h LEU 115 N 0.00 0.00 -0.01 3.80 3.38 -1.44 -3.28 115.31 117.76 2f6m h LEU 115 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2f6m h LEU 115 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2f6m h LEU 115 CO 0.07 0.01 0.00 1.05 0.09 0.00 0.00 178.44 179.66 2f6m h GLU 116 N 0.00 0.00 0.00 1.13 4.11 -1.49 -3.52 114.58 114.81 2f6m h GLU 116 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2f6m h GLU 116 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2f6m h GLU 116 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 179.01 179.62