#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f5m s SER 4 N 0.00 7.43 0.40 -3.46 0.15 -1.26 -4.93 113.70 112.03 1f5m s SER 4 Ca 0.00 1.84 0.29 0.00 0.70 0.00 0.00 55.95 58.78 1f5m s SER 4 Cb 0.00 -2.59 1.24 0.00 -1.71 0.00 0.00 66.02 62.96 1f5m s SER 4 CO 0.00 -0.13 1.85 0.71 1.20 0.00 0.00 173.24 176.87 1f5m h THR 5 N 4.09 0.00 0.00 6.45 1.35 -2.12 -3.45 112.91 119.23 1f5m h THR 5 Ca -0.43 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1f5m h THR 5 Cb 1.21 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1f5m h THR 5 CO 0.73 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.61 1f5m n GLY 6 N -0.19 0.84 3.76 5.82 0.00 -1.26 -5.03 105.19 109.14 1f5m n GLY 6 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1f5m n GLY 6 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f5m s PHE 7 N -3.34 2.76 0.10 1.61 0.40 -1.26 -5.14 117.98 113.11 1f5m s PHE 7 Ca 0.00 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 55.98 1f5m s PHE 7 Cb 0.00 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 41.83 1f5m s PHE 7 CO 0.00 0.32 -0.03 -1.01 0.70 0.00 0.00 175.22 175.20 1f5m s HIS 8 N -2.39 0.82 0.28 0.36 3.76 -1.26 -5.04 115.29 111.82 1f5m s HIS 8 Ca 0.38 -1.03 0.02 0.00 -0.15 0.00 0.00 55.06 54.28 1f5m s HIS 8 Cb -0.03 -0.50 0.61 0.00 1.11 0.00 0.00 32.58 33.77 1f5m s HIS 8 CO 0.23 -0.29 1.79 0.45 -0.85 0.00 0.00 174.74 176.07 1f5m h HIS 9 N 2.97 1.00 -0.05 1.40 3.86 -2.05 -1.02 115.15 121.25 1f5m h HIS 9 Ca -0.35 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 58.91 1f5m h HIS 9 Cb 1.17 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 29.34 1f5m h HIS 9 CO 0.54 0.28 0.13 0.00 0.86 0.00 0.00 177.93 179.74 1f5m h ALA 10 N 1.58 1.35 0.00 2.45 0.00 -2.02 -2.68 119.26 119.94 1f5m h ALA 10 Ca 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1f5m h ALA 10 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1f5m h ALA 10 CO -0.34 -0.15 0.00 -0.25 0.00 0.00 0.00 179.25 178.51 1f5m n ASP 11 N -3.31 0.62 0.18 0.00 8.00 -0.39 -1.52 116.55 120.12 1f5m n ASP 11 Ca -0.02 0.71 0.13 0.00 0.71 0.00 0.00 54.79 56.32 1f5m n ASP 11 Cb 0.21 -0.82 0.60 0.00 -0.02 0.00 0.00 41.12 41.09 1f5m n ASP 11 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 1f5m h HIS 12 N 0.00 0.00 -0.19 1.24 3.86 -1.67 -1.90 115.15 116.48 1f5m h HIS 12 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1f5m h HIS 12 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1f5m h HIS 12 CO 0.00 0.00 0.00 0.28 0.86 0.00 0.00 177.93 179.07 1f5m n VAL 13 N -2.42 1.00 -3.72 2.45 0.31 -0.57 -4.86 118.33 110.52 1f5m n VAL 13 Ca 0.00 -1.00 -0.37 0.00 -0.01 0.00 0.00 64.34 62.96 1f5m n VAL 13 Cb 0.17 0.50 -0.11 0.00 -0.91 0.00 0.00 33.84 33.49 1f5m n VAL 13 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1f5m s ASN 14 N -1.01 5.36 0.16 4.52 0.01 -0.72 -4.99 114.94 118.28 1f5m s ASN 14 Ca 0.13 -2.14 -0.16 0.00 -0.71 0.00 0.00 52.86 49.98 1f5m s ASN 14 Cb 0.07 -1.87 0.03 0.00 0.41 0.00 0.00 41.25 39.88 1f5m s ASN 14 CO 0.09 -0.55 0.44 -0.72 -1.51 0.00 0.00 177.10 174.85 1f5m s TYR 15 N 0.99 -0.08 0.49 2.20 -0.85 -1.26 -4.94 117.35 113.90 1f5m s TYR 15 Ca 0.09 -0.26 -0.21 0.00 -0.52 0.00 0.00 57.07 56.17 1f5m s TYR 15 Cb -0.23 0.28 -0.07 0.00 0.38 0.00 0.00 41.96 42.32 1f5m s TYR 15 CO -0.03 -0.81 1.11 -1.54 -1.52 0.00 0.00 175.55 172.76 1f5m s SER 16 N -2.86 6.11 0.00 -0.18 1.04 -1.26 -4.91 113.70 111.64 1f5m s SER 16 Ca 0.08 2.15 0.21 0.00 0.48 0.00 0.00 55.95 58.87 1f5m s SER 16 Cb 0.01 -2.58 1.12 0.00 0.10 0.00 0.00 66.02 64.66 1f5m s SER 16 CO -0.06 -0.95 1.74 -1.54 0.98 0.00 0.00 173.24 173.41 1f5m n SER 17 N -0.83 0.50 -0.38 7.02 3.41 -1.26 -3.28 113.62 118.80 1f5m n SER 17 Ca 0.09 -1.44 0.14 0.00 -0.26 0.00 0.00 58.87 57.39 1f5m n SER 17 Cb 0.50 -0.03 0.50 0.00 -0.26 0.00 0.00 64.21 64.93 1f5m n SER 17 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1f5m n ASN 18 N -0.48 1.26 -4.80 4.04 3.02 -1.26 -4.84 115.26 112.20 1f5m n ASN 18 Ca 0.16 -1.26 -0.34 0.00 -0.03 0.00 0.00 54.58 53.10 1f5m n ASN 18 Cb 0.15 0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.32 1f5m n ASN 18 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1f5m s LEU 19 N -2.17 3.91 0.55 3.41 1.43 -1.21 -5.03 118.68 119.58 1f5m s LEU 19 Ca 0.34 1.91 -0.09 0.00 -1.03 0.00 0.00 54.13 55.26 1f5m s LEU 19 Cb 0.20 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.89 1f5m s LEU 19 CO 0.40 -0.66 0.91 0.54 0.23 0.00 0.00 176.35 177.77 1f5m s ASN 20 N -1.94 6.27 0.28 2.29 6.03 -1.26 -4.85 114.94 121.74 1f5m s ASN 20 Ca 0.65 1.20 0.01 0.00 -1.03 0.00 0.00 52.86 53.68 1f5m s ASN 20 Cb -0.16 -2.37 0.64 0.00 -3.03 0.00 0.00 41.25 36.33 1f5m s ASN 20 CO 0.20 -0.71 1.70 0.50 -2.03 0.00 0.00 177.10 176.75 1f5m h LYS 21 N 0.02 0.36 -0.82 3.55 3.64 -1.97 -0.96 116.57 120.39 1f5m h LYS 21 Ca -0.45 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1f5m h LYS 21 Cb 1.20 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.90 1f5m h LYS 21 CO 0.62 0.24 0.50 0.93 -2.27 0.00 0.00 179.45 179.47 1f5m h GLU 22 N 0.37 1.11 -0.22 1.90 4.39 -1.99 -1.32 114.58 118.83 1f5m h GLU 22 Ca 0.51 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 60.10 1f5m h GLU 22 Cb 0.93 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1f5m h GLU 22 CO -0.52 0.78 0.11 0.93 -1.16 0.00 0.00 179.01 179.15 1f5m h GLU 23 N 1.13 0.32 -0.53 2.33 5.08 -1.57 -0.83 114.58 120.49 1f5m h GLU 23 Ca 0.30 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1f5m h GLU 23 Cb -0.05 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1f5m h GLU 23 CO -0.06 0.32 0.35 0.82 -1.00 0.00 0.00 179.01 179.45 1f5m h ILE 24 N 0.23 1.14 -0.03 3.13 2.04 -1.13 0.12 117.51 123.01 1f5m h ILE 24 Ca 0.08 -0.25 -0.17 0.00 1.00 0.00 0.00 64.86 65.51 1f5m h ILE 24 Cb 0.11 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1f5m h ILE 24 CO -0.01 0.13 -0.76 -0.07 0.00 0.00 0.00 178.15 177.44 1f5m h LEU 25 N 0.73 0.25 -0.57 1.44 3.38 -1.17 -1.69 115.31 117.67 1f5m h LEU 25 Ca 0.20 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 1f5m h LEU 25 Cb -0.08 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1f5m h LEU 25 CO -0.04 0.92 -0.43 -0.08 0.09 0.00 0.00 178.44 178.89 1f5m h GLU 26 N 0.13 0.65 -0.01 1.13 4.57 -0.92 -1.99 114.58 118.14 1f5m h GLU 26 Ca -0.03 -0.35 -0.07 0.00 -1.18 0.00 0.00 59.36 57.73 1f5m h GLU 26 Cb 1.34 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.93 1f5m h GLU 26 CO 0.12 0.96 -0.32 1.96 -1.18 0.00 0.00 179.01 180.55 1f5m h GLN 27 N 0.53 0.01 -0.15 1.92 4.20 -0.80 -2.30 115.11 118.52 1f5m h GLN 27 Ca 0.04 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 1f5m h GLN 27 Cb 0.97 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.74 1f5m h GLN 27 CO 0.09 0.33 -0.18 1.25 -0.67 0.00 0.00 178.83 179.65 1f5m h LEU 28 N 0.01 0.41 -0.87 1.46 6.46 -0.88 -0.39 115.31 121.50 1f5m h LEU 28 Ca -0.00 -0.50 0.05 0.00 -0.12 0.00 0.00 57.88 57.31 1f5m h LEU 28 Cb 0.57 -0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 40.32 1f5m h LEU 28 CO 0.04 0.83 0.55 -0.07 -0.62 0.00 0.00 178.44 179.17 1f5m h LEU 29 N 0.01 0.90 -0.49 2.25 3.38 -1.13 0.12 115.31 120.34 1f5m h LEU 29 Ca 0.02 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1f5m h LEU 29 Cb 0.72 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1f5m h LEU 29 CO 0.04 0.60 -0.14 -0.07 0.09 0.00 0.00 178.44 178.96 1f5m h LEU 30 N 1.04 0.96 -0.47 1.67 3.38 -1.35 -1.92 115.31 118.63 1f5m h LEU 30 Ca 0.36 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1f5m h LEU 30 Cb 0.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1f5m h LEU 30 CO -0.14 1.11 0.05 0.28 0.09 0.00 0.00 178.44 179.82 1f5m h SER 31 N 0.80 0.78 -0.79 -0.43 0.02 -0.39 -1.68 113.55 111.85 1f5m h SER 31 Ca 0.12 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1f5m h SER 31 Cb 0.70 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 1f5m h SER 31 CO 0.05 0.86 0.52 0.22 -1.14 0.00 0.00 176.83 177.35 1f5m h TYR 32 N 0.66 0.99 -0.17 3.45 3.20 -0.66 0.96 116.97 125.41 1f5m h TYR 32 Ca 0.14 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 1f5m h TYR 32 Cb 0.44 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1f5m h TYR 32 CO 0.03 0.62 0.09 1.49 -1.64 0.00 0.00 178.16 178.76 1f5m h GLU 33 N 1.07 0.24 -0.27 1.82 4.81 -1.17 -0.12 114.58 120.96 1f5m h GLU 33 Ca 0.29 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 1f5m h GLU 33 Cb -0.12 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1f5m h GLU 33 CO -0.06 0.24 -0.27 0.78 -0.73 0.00 0.00 179.01 178.97 1f5m h GLY 34 N 0.17 0.58 2.00 1.92 0.00 -0.96 -2.09 103.07 104.70 1f5m h GLY 34 Ca 0.06 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.78 1f5m h GLY 34 CO -0.01 0.45 -0.53 1.41 0.00 0.00 0.00 176.54 177.86 1f5m h LEU 35 N 0.47 0.00 -0.72 3.11 3.38 -0.60 -3.29 115.31 117.66 1f5m h LEU 35 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1f5m h LEU 35 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1f5m h LEU 35 CO 0.05 0.53 -0.55 -1.54 0.09 0.00 0.00 178.44 177.03 1f5m n SER 36 N -3.52 1.67 -0.12 -0.43 3.41 -0.07 -4.50 113.62 110.04 1f5m n SER 36 Ca -0.00 -1.30 -0.06 0.00 -0.26 0.00 0.00 58.87 57.25 1f5m n SER 36 Cb 0.63 0.52 0.03 0.00 -0.26 0.00 0.00 64.21 65.13 1f5m n SER 36 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1f5m h ASP 37 N 1.76 0.23 0.36 4.04 3.58 -1.44 -3.12 116.42 121.83 1f5m h ASP 37 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1f5m h ASP 37 Cb 0.67 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.71 1f5m h ASP 37 CO 0.00 0.17 0.00 0.61 -2.88 0.00 0.00 179.24 177.14 1f5m n GLY 38 N -1.23 -0.92 3.50 -0.78 0.00 -1.26 -4.84 105.19 99.66 1f5m n GLY 38 Ca 0.02 0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 1f5m n GLY 38 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1f5m s GLN 39 N -3.14 1.10 0.00 1.61 0.00 -1.18 -5.02 119.66 113.03 1f5m s GLN 39 Ca 0.03 0.07 0.24 0.00 -0.00 0.00 0.00 55.36 55.71 1f5m s GLN 39 Cb 0.07 0.52 0.32 0.00 0.00 0.00 0.00 33.01 33.91 1f5m s GLN 39 CO 0.22 -0.38 1.28 1.33 0.00 0.00 0.00 175.29 177.74 1f5m n VAL 40 N 0.58 0.00 -1.59 3.63 0.24 -1.26 -4.86 118.33 115.07 1f5m n VAL 40 Ca -0.18 -0.11 -0.55 0.00 -2.04 0.00 0.00 64.34 61.46 1f5m n VAL 40 Cb 0.59 0.71 -0.07 0.00 -1.47 0.00 0.00 33.84 33.60 1f5m n VAL 40 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1f5m n ASN 41 N -0.81 2.29 0.17 -1.34 2.85 -1.26 -2.39 115.26 114.78 1f5m n ASN 41 Ca 0.08 0.82 0.04 0.00 -0.11 0.00 0.00 54.58 55.42 1f5m n ASN 41 Cb 0.37 -1.18 0.28 0.00 1.24 0.00 0.00 39.78 40.49 1f5m n ASN 41 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 1f5m h TRP 42 N 9.25 0.00 -0.17 1.20 5.08 -1.92 -2.37 115.95 127.01 1f5m h TRP 42 Ca -0.38 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.53 1f5m h TRP 42 Cb 1.32 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.48 1f5m h TRP 42 CO 0.86 0.43 -0.13 0.28 -1.28 0.00 0.00 178.44 178.60 1f5m h VAL 43 N 0.00 1.33 -0.32 0.12 2.07 -1.94 0.46 116.25 117.97 1f5m h VAL 43 Ca -0.00 -1.24 0.02 0.00 0.82 0.00 0.00 66.70 66.30 1f5m h VAL 43 Cb 0.98 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 1f5m h VAL 43 CO 0.06 0.37 0.18 0.00 0.02 0.00 0.00 177.57 178.19 1f5m h ASN 45 N 0.37 0.82 1.07 0.00 2.35 -1.36 -2.48 115.58 116.34 1f5m h ASN 45 Ca 0.13 -0.31 -0.09 0.00 -0.55 0.00 0.00 56.30 55.48 1f5m h ASN 45 Cb 0.02 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 1f5m h ASN 45 CO -0.07 0.93 -0.43 -0.07 -1.65 0.00 0.00 177.43 176.14 1f5m h LEU 46 N 0.68 0.00 -0.23 1.61 3.38 -0.79 -1.45 115.31 118.51 1f5m h LEU 46 Ca 0.13 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1f5m h LEU 46 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1f5m h LEU 46 CO 0.03 0.43 -0.04 0.28 0.09 0.00 0.00 178.44 179.23 1f5m h SER 47 N 0.00 0.44 -0.19 -0.43 0.02 -0.83 -0.06 113.55 112.50 1f5m h SER 47 Ca -0.00 -0.35 -0.12 0.00 -0.84 0.00 0.00 61.79 60.48 1f5m h SER 47 Cb 1.09 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 1f5m h SER 47 CO 0.06 0.68 -0.29 0.78 -1.14 0.00 0.00 176.83 176.92 1f5m h ASN 48 N 0.18 0.70 -0.42 3.07 2.35 -1.44 -2.91 115.58 117.11 1f5m h ASN 48 Ca 0.06 -0.27 0.05 0.00 -0.55 0.00 0.00 56.30 55.59 1f5m h ASN 48 Cb 0.48 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.62 1f5m h ASN 48 CO 0.02 0.95 0.15 0.00 -1.65 0.00 0.00 177.43 176.90 1f5m h ALA 49 N 1.09 0.50 -0.78 -0.83 0.00 -1.06 -1.33 119.26 116.86 1f5m h ALA 49 Ca 0.07 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1f5m h ALA 49 Cb 0.79 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1f5m h ALA 49 CO 0.07 -0.23 0.51 0.66 0.00 0.00 0.00 179.25 180.25 1f5m h SER 50 N 0.32 0.77 -0.16 0.00 4.64 -0.82 -0.86 113.55 117.44 1f5m h SER 50 Ca 0.19 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.39 1f5m h SER 50 Cb 0.18 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1f5m h SER 50 CO -0.19 0.51 -0.30 -1.28 -0.87 0.00 0.00 176.83 174.70 1f5m h SER 51 N 0.88 0.67 -0.06 4.97 0.87 -1.18 -1.76 113.55 117.95 1f5m h SER 51 Ca 0.33 -0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1f5m h SER 51 Cb 0.17 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1f5m h SER 51 CO -0.11 0.93 0.03 -0.07 -0.53 0.00 0.00 176.83 177.08 1f5m h LEU 52 N 0.56 0.09 -0.43 2.23 3.38 -0.19 -2.14 115.31 118.81 1f5m h LEU 52 Ca 0.07 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1f5m h LEU 52 Cb 0.79 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1f5m h LEU 52 CO 0.07 0.21 0.19 0.40 0.09 0.00 0.00 178.44 179.39 1f5m h ILE 53 N -0.04 1.19 0.37 1.22 2.04 -1.14 -0.75 117.51 120.40 1f5m h ILE 53 Ca 0.02 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1f5m h ILE 53 Cb 0.15 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1f5m h ILE 53 CO -0.00 0.21 -0.26 -0.25 0.00 0.00 0.00 178.15 177.85 1f5m h TRP 54 N 0.55 -0.69 -0.41 1.37 2.91 -1.24 -1.91 115.95 116.53 1f5m h TRP 54 Ca 0.14 -0.00 -0.08 0.00 1.13 0.00 0.00 58.89 60.08 1f5m h TRP 54 Cb 0.16 0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 29.04 1f5m h TRP 54 CO -0.00 -0.40 -0.08 0.45 -1.03 0.00 0.00 178.44 177.38 1f5m h HIS 55 N -0.62 0.75 0.04 2.65 3.86 -1.27 -1.82 115.15 118.73 1f5m h HIS 55 Ca -0.03 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1f5m h HIS 55 Cb 0.53 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 1f5m h HIS 55 CO -0.12 0.75 -0.05 0.00 0.86 0.00 0.00 177.93 179.37 1f5m h ALA 56 N 1.28 -0.08 0.00 2.45 0.00 -0.90 -1.63 119.26 120.37 1f5m h ALA 56 Ca 0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1f5m h ALA 56 Cb 0.51 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1f5m h ALA 56 CO 0.03 -0.56 -0.34 1.88 0.00 0.00 0.00 179.25 180.26 1f5m h TYR 57 N -0.10 0.00 -0.58 0.00 -1.99 -1.22 -1.01 116.97 112.07 1f5m h TYR 57 Ca 0.01 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.65 1f5m h TYR 57 Cb 0.11 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.82 1f5m h TYR 57 CO -0.10 0.34 0.01 0.87 -0.00 0.00 0.00 178.16 179.27 1f5m h LYS 58 N 0.00 1.02 0.00 4.88 1.79 -1.07 -1.85 116.57 121.34 1f5m h LYS 58 Ca -0.00 -0.32 -0.10 0.00 -2.18 0.00 0.00 60.65 58.04 1f5m h LYS 58 Cb 0.60 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 1f5m h LYS 58 CO 0.04 1.01 -0.50 0.66 -1.08 0.00 0.00 179.45 179.58 1f5m h SER 59 N 0.91 0.00 0.00 0.86 4.64 -0.83 -2.10 113.55 117.03 1f5m h SER 59 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1f5m h SER 59 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1f5m h SER 59 CO 0.03 0.50 0.00 0.18 -0.87 0.00 0.00 176.83 176.67 1f5m n LEU 60 N -3.49 0.00 -2.56 5.97 7.99 -0.42 -4.82 117.00 119.67 1f5m n LEU 60 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 56.01 55.82 1f5m n LEU 60 Cb 0.61 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.95 1f5m n LEU 60 CO 0.39 0.00 0.01 0.00 -1.51 0.00 0.00 177.39 176.28 1f5m n ALA 61 N -0.95 -0.82 -2.69 -1.18 0.00 -0.79 -4.99 120.51 109.08 1f5m n ALA 61 Ca 0.18 0.25 -0.36 0.00 0.00 0.00 0.00 53.44 53.50 1f5m n ALA 61 Cb 0.08 -3.40 -0.08 0.00 0.00 0.00 0.00 19.45 16.05 1f5m n ALA 61 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1f5m s VAL 62 N -3.08 5.32 -1.50 0.00 1.01 -0.73 -4.99 120.40 116.44 1f5m s VAL 62 Ca 0.26 0.39 -0.13 0.00 0.00 0.00 0.00 61.98 62.50 1f5m s VAL 62 Cb -0.12 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1f5m s VAL 62 CO 0.33 0.36 2.40 -0.67 0.00 0.00 0.00 175.10 177.51 1f5m n ASP 63 N 3.98 5.01 -4.82 3.32 2.03 -1.26 -4.32 116.55 120.49 1f5m n ASP 63 Ca -0.13 -2.78 -0.32 0.00 0.52 0.00 0.00 54.79 52.08 1f5m n ASP 63 Cb 0.52 -1.63 -0.01 0.00 -0.72 0.00 0.00 41.12 39.28 1f5m n ASP 63 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1f5m s ILE 64 N 2.97 4.12 0.00 5.18 -4.36 -1.26 -1.14 121.20 126.71 1f5m s ILE 64 Ca 0.52 1.00 0.00 0.00 -0.26 0.00 0.00 60.65 61.92 1f5m s ILE 64 Cb 0.15 -3.53 0.00 0.00 1.25 0.00 0.00 42.46 40.33 1f5m s ILE 64 CO -0.08 -0.59 0.27 -0.46 0.24 0.00 0.00 174.94 174.32 1f5m n ASN 65 N -1.86 0.54 -3.63 4.36 6.94 -0.72 -4.81 115.26 116.07 1f5m n ASN 65 Ca 0.08 -0.86 -0.11 0.00 -0.02 0.00 0.00 54.58 53.67 1f5m n ASN 65 Cb 0.53 0.14 -0.07 0.00 -2.36 0.00 0.00 39.78 38.02 1f5m n ASN 65 CO 0.00 0.00 0.00 0.86 -1.03 0.00 0.00 177.26 177.09 1f5m s TRP 66 N -0.14 -0.80 -0.15 -2.53 -0.00 -1.18 -3.82 118.94 110.32 1f5m s TRP 66 Ca 0.00 1.82 -0.05 0.00 -0.00 0.00 0.00 56.10 57.87 1f5m s TRP 66 Cb 0.00 0.38 0.07 0.00 -0.00 0.00 0.00 33.47 33.93 1f5m s TRP 66 CO 0.00 -0.39 0.28 0.00 -0.00 0.00 0.00 176.95 176.84 1f5m s ALA 67 N 0.74 -0.61 0.00 5.86 0.00 -0.27 -0.33 121.76 127.15 1f5m s ALA 67 Ca -0.03 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1f5m s ALA 67 Cb -0.05 -1.13 0.00 0.00 0.00 0.00 0.00 23.12 21.94 1f5m s ALA 67 CO -0.07 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.34 1f5m n GLY 68 N 5.35 1.30 3.14 0.00 0.00 0.40 0.07 105.19 115.46 1f5m n GLY 68 Ca -0.06 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 1f5m n GLY 68 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f5m s PHE 69 N -2.29 0.81 0.08 1.61 0.40 -0.22 -0.31 117.98 118.06 1f5m s PHE 69 Ca 0.00 -0.83 0.06 0.00 -0.60 0.00 0.00 56.93 55.56 1f5m s PHE 69 Cb 0.00 -0.48 -0.03 0.00 0.51 0.00 0.00 43.02 43.02 1f5m s PHE 69 CO 0.00 -0.15 -0.16 0.71 0.70 0.00 0.00 175.22 176.32 1f5m s TYR 70 N -3.12 1.39 0.04 0.36 1.51 -0.93 -0.40 117.35 116.21 1f5m s TYR 70 Ca 0.06 -0.45 0.02 0.00 -1.01 0.00 0.00 57.07 55.69 1f5m s TYR 70 Cb 0.02 -0.77 -0.02 0.00 -0.11 0.00 0.00 41.96 41.08 1f5m s TYR 70 CO -0.04 0.10 -0.08 0.14 -1.11 0.00 0.00 175.55 174.56 1f5m s VAL 71 N -1.30 0.58 0.07 0.71 -7.23 -0.06 -0.93 120.40 112.24 1f5m s VAL 71 Ca 0.01 -1.02 -0.31 0.00 -1.81 0.00 0.00 61.98 58.85 1f5m s VAL 71 Cb -0.10 -0.62 -0.08 0.00 0.56 0.00 0.00 36.38 36.14 1f5m s VAL 71 CO 0.03 -0.32 1.49 -0.89 -0.31 0.00 0.00 175.10 175.10 1f5m s THR 72 N -1.25 3.27 0.23 5.32 2.01 0.71 -0.01 115.64 125.91 1f5m s THR 72 Ca -0.08 0.80 -0.32 0.00 0.31 0.00 0.00 61.69 62.40 1f5m s THR 72 Cb -0.09 -3.51 -0.12 0.00 0.01 0.00 0.00 72.50 68.79 1f5m s THR 72 CO 0.00 0.02 1.69 1.67 -0.69 0.00 0.00 174.62 177.32 1f5m n GLN 73 N 4.84 2.75 0.04 4.92 7.27 0.11 -4.85 117.38 132.46 1f5m n GLN 73 Ca 0.13 0.99 -0.12 0.00 0.07 0.00 0.00 57.00 58.07 1f5m n GLN 73 Cb 0.42 -2.82 -0.07 0.00 2.41 0.00 0.00 30.24 30.18 1f5m n GLN 73 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1f5m h ALA 74 N 6.28 -0.01 -0.35 1.69 0.00 -1.91 -2.30 119.26 122.67 1f5m h ALA 74 Ca -0.44 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.57 1f5m h ALA 74 Cb 1.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1f5m h ALA 74 CO 0.92 -0.50 0.28 1.03 0.00 0.00 0.00 179.25 180.98 1f5m h SER 75 N -0.01 0.00 -2.45 0.00 0.87 -1.99 -3.39 113.55 106.59 1f5m h SER 75 Ca -0.00 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.24 1f5m h SER 75 Cb 0.01 0.00 -0.35 0.00 -0.44 0.00 0.00 62.40 61.61 1f5m h SER 75 CO 0.00 0.00 -0.63 -0.70 -0.53 0.00 0.00 176.83 174.97 1f5m s GLU 76 N -4.89 0.22 0.00 2.24 -6.30 -0.87 -5.03 118.70 104.07 1f5m s GLU 76 Ca -0.05 0.13 0.00 0.00 -2.50 0.00 0.00 54.97 52.56 1f5m s GLU 76 Cb 0.18 -1.09 0.00 0.00 0.00 0.00 0.00 34.13 33.21 1f5m s GLU 76 CO 0.66 -0.73 0.59 0.39 0.02 0.00 0.00 175.26 176.19 1f5m n GLU 77 N 5.32 0.75 -0.27 4.30 -0.58 -1.23 -2.17 120.64 126.75 1f5m n GLU 77 Ca -0.05 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.72 1f5m n GLU 77 Cb 0.49 -1.23 0.03 0.00 -0.57 0.00 0.00 31.44 30.16 1f5m n GLU 77 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1f5m n ASN 78 N 0.41 0.73 -3.97 1.62 3.02 -1.26 -5.02 115.26 110.79 1f5m n ASN 78 Ca 0.00 -2.09 -0.15 0.00 -0.03 0.00 0.00 54.58 52.31 1f5m n ASN 78 Cb 0.29 -0.21 -0.14 0.00 -0.61 0.00 0.00 39.78 39.12 1f5m n ASN 78 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1f5m s THR 79 N -0.78 0.37 -0.13 3.41 2.01 -0.92 -1.94 115.64 117.67 1f5m s THR 79 Ca 0.08 -0.38 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 1f5m s THR 79 Cb 0.07 -0.35 -0.03 0.00 0.01 0.00 0.00 72.50 72.19 1f5m s THR 79 CO 0.01 -0.02 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.14 1f5m s LEU 80 N -0.43 3.40 -0.06 4.42 1.43 0.31 -0.71 118.68 127.03 1f5m s LEU 80 Ca -0.01 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 1f5m s LEU 80 Cb -0.04 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 1f5m s LEU 80 CO -0.00 0.26 -0.14 -0.63 0.23 0.00 0.00 176.35 176.06 1f5m s ILE 81 N -0.15 3.05 0.12 -0.59 1.01 0.98 -1.14 121.20 124.47 1f5m s ILE 81 Ca 0.04 -0.72 -0.34 0.00 0.00 0.00 0.00 60.65 59.63 1f5m s ILE 81 Cb -0.13 -2.20 -0.14 0.00 0.01 0.00 0.00 42.46 40.00 1f5m s ILE 81 CO 0.02 0.58 1.61 -0.11 0.00 0.00 0.00 174.94 177.04 1f5m n LEU 82 N 2.50 3.05 0.00 2.97 0.00 -0.30 -0.89 117.00 124.34 1f5m n LEU 82 Ca -0.17 1.07 0.00 0.00 0.00 0.00 0.00 56.01 56.91 1f5m n LEU 82 Cb 0.52 -1.40 0.00 0.00 0.00 0.00 0.00 43.42 42.54 1f5m n LEU 82 CO 0.26 -0.30 0.00 0.61 0.00 0.00 0.00 177.39 177.96 1f5m n GLY 83 N 3.50 4.75 3.74 -3.96 0.00 0.47 -4.86 105.19 108.84 1f5m n GLY 83 Ca 0.18 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 1f5m n GLY 83 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1f5m n PRO 84 N -0.12 2.37 -3.56 1.61 -0.02 -1.26 -4.54 135.00 129.48 1f5m n PRO 84 Ca 0.00 0.84 -0.11 0.00 -2.02 0.00 0.00 63.50 62.21 1f5m n PRO 84 Cb 0.00 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 30.92 1f5m n PRO 84 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1f5m s PHE 85 N -1.13 -0.34 -0.11 6.00 -0.12 -1.26 -1.06 117.98 119.96 1f5m s PHE 85 Ca 0.56 0.06 -0.00 0.00 -0.05 0.00 0.00 56.93 57.50 1f5m s PHE 85 Cb -0.50 0.44 -0.02 0.00 -0.63 0.00 0.00 43.02 42.30 1f5m s PHE 85 CO 0.62 -0.83 -0.09 -0.65 -0.05 0.00 0.00 175.22 174.22 1f5m s GLN 86 N -3.80 3.16 0.00 1.99 -1.52 0.11 -4.98 119.66 114.62 1f5m s GLN 86 Ca 0.03 -0.61 0.00 0.00 -1.95 0.00 0.00 55.36 52.84 1f5m s GLN 86 Cb -0.00 -2.65 0.00 0.00 -0.22 0.00 0.00 33.01 30.14 1f5m s GLN 86 CO -0.10 0.40 0.00 0.41 -0.25 0.00 0.00 175.29 175.75 1f5m n GLY 87 N 2.99 0.83 3.91 3.09 0.00 -1.26 -1.11 105.19 113.63 1f5m n GLY 87 Ca -0.18 -2.02 -0.27 0.00 0.00 0.00 0.00 46.02 43.55 1f5m n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f5m s LYS 88 N -1.31 3.58 0.25 1.61 1.02 -1.25 -5.01 119.74 118.62 1f5m s LYS 88 Ca 0.00 0.17 -0.27 0.00 0.02 0.00 0.00 55.97 55.89 1f5m s LYS 88 Cb 0.00 -2.42 -0.16 0.00 -0.52 0.00 0.00 37.83 34.73 1f5m s LYS 88 CO 0.00 -0.12 0.62 0.28 -0.92 0.00 0.00 175.35 175.21 1f5m n VAL 89 N -1.99 1.90 -4.30 3.17 0.31 -1.26 -5.00 118.33 111.16 1f5m n VAL 89 Ca 0.00 -0.50 -0.16 0.00 -0.01 0.00 0.00 64.34 63.67 1f5m n VAL 89 Cb 0.55 -0.29 -0.10 0.00 -0.91 0.00 0.00 33.84 33.08 1f5m n VAL 89 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1f5m s ALA 90 N -1.09 1.64 0.33 3.52 0.00 -1.26 -4.76 121.76 120.14 1f5m s ALA 90 Ca 0.62 -1.83 -0.29 0.00 0.00 0.00 0.00 51.96 50.46 1f5m s ALA 90 Cb -0.83 1.05 -0.11 0.00 0.00 0.00 0.00 23.12 23.23 1f5m s ALA 90 CO 0.58 -0.46 1.52 0.00 0.00 0.00 0.00 175.76 177.39 1f5m h GLN 92 N 3.81 0.00 -3.01 0.00 7.50 -1.98 -3.41 115.11 118.02 1f5m h GLN 92 Ca -0.48 0.00 -0.14 0.00 0.50 0.00 0.00 58.65 58.53 1f5m h GLN 92 Cb 1.24 0.00 -0.24 0.00 0.05 0.00 0.00 27.48 28.53 1f5m h GLN 92 CO 0.71 0.76 -0.33 1.41 -1.50 0.00 0.00 178.83 179.88 1f5m s MET 93 N -2.83 0.45 -0.02 1.46 0.00 -1.26 -1.15 119.30 115.95 1f5m s MET 93 Ca 0.02 0.25 0.02 0.00 0.00 0.00 0.00 55.69 55.99 1f5m s MET 93 Cb 0.09 0.21 0.00 0.00 0.00 0.00 0.00 34.83 35.13 1f5m s MET 93 CO 0.79 -0.08 -0.08 0.42 0.00 0.00 0.00 175.02 176.07 1f5m s ILE 94 N -0.25 0.68 0.07 10.11 1.01 -0.30 -4.99 121.20 127.53 1f5m s ILE 94 Ca -0.04 -0.31 -0.20 0.00 0.00 0.00 0.00 60.65 60.10 1f5m s ILE 94 Cb -0.03 -0.61 -0.07 0.00 0.01 0.00 0.00 42.46 41.76 1f5m s ILE 94 CO 0.01 0.22 0.60 -1.58 0.00 0.00 0.00 174.94 174.19 1f5m s GLN 95 N 0.20 4.27 0.61 2.79 2.00 -1.26 -0.53 119.66 127.73 1f5m s GLN 95 Ca -0.03 0.79 -0.18 0.00 -2.00 0.00 0.00 55.36 53.94 1f5m s GLN 95 Cb -0.08 -3.26 -0.05 0.00 0.80 0.00 0.00 33.01 30.43 1f5m s GLN 95 CO 0.00 0.59 0.96 1.19 -0.50 0.00 0.00 175.29 177.53 1f5m n PHE 96 N 1.85 0.78 -0.34 1.67 3.01 -0.82 -1.42 117.46 122.20 1f5m n PHE 96 Ca -0.09 0.43 0.00 0.00 1.01 0.00 0.00 57.45 58.80 1f5m n PHE 96 Cb 0.50 -2.13 0.00 0.00 -0.01 0.00 0.00 39.48 37.84 1f5m n PHE 96 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1f5m n GLY 97 N 1.30 2.07 3.27 1.37 0.00 0.17 -4.91 105.19 108.47 1f5m n GLY 97 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1f5m n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f5m s LYS 98 N -0.03 3.21 0.15 1.61 -0.14 -0.50 -4.58 119.74 119.45 1f5m s LYS 98 Ca 0.00 -0.77 0.00 0.00 -1.36 0.00 0.00 55.97 53.84 1f5m s LYS 98 Cb 0.00 -2.56 0.00 0.00 -1.68 0.00 0.00 37.83 33.59 1f5m s LYS 98 CO 0.00 0.08 0.00 0.41 -0.76 0.00 0.00 175.35 175.08 1f5m n GLY 99 N 3.86 -1.77 0.08 -3.33 0.00 -1.14 -1.72 105.19 101.16 1f5m n GLY 99 Ca -0.19 -1.38 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 1f5m n GLY 99 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1f5m h VAL 100 N -0.52 0.89 -0.28 1.61 2.07 -1.91 0.16 116.25 118.28 1f5m h VAL 100 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1f5m h VAL 100 Cb 0.51 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1f5m h VAL 100 CO 0.01 0.00 0.17 0.00 0.02 0.00 0.00 177.57 177.77 1f5m h GLY 102 N 0.36 0.00 1.92 0.00 0.00 -1.08 -2.27 103.07 102.00 1f5m h GLY 102 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.21 1f5m h GLY 102 CO -0.02 0.00 -1.05 -0.84 0.00 0.00 0.00 176.54 174.63 1f5m h THR 103 N 0.00 1.67 -0.19 4.70 2.02 -0.38 0.51 112.91 121.24 1f5m h THR 103 Ca -0.00 -3.36 -0.05 0.00 0.77 0.00 0.00 66.41 63.77 1f5m h THR 103 Cb 0.50 2.86 -0.01 0.00 -1.74 0.00 0.00 68.15 69.76 1f5m h THR 103 CO 0.04 0.96 -0.10 0.00 0.37 0.00 0.00 175.52 176.78 1f5m h ALA 104 N 0.93 1.48 -0.01 6.16 0.00 -0.81 -0.98 119.26 126.02 1f5m h ALA 104 Ca -0.04 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1f5m h ALA 104 Cb 1.81 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.51 1f5m h ALA 104 CO 0.14 0.37 -0.31 0.00 0.00 0.00 0.00 179.25 179.45 1f5m h ALA 105 N 1.62 0.05 -0.34 0.00 0.00 -1.29 -1.90 119.26 117.40 1f5m h ALA 105 Ca 0.06 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 1f5m h ALA 105 Cb 0.36 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1f5m h ALA 105 CO 0.02 0.14 -0.26 0.66 0.00 0.00 0.00 179.25 179.80 1f5m h SER 106 N -0.40 0.81 1.19 0.00 4.64 -1.22 -3.24 113.55 115.33 1f5m h SER 106 Ca -0.04 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1f5m h SER 106 Cb 1.05 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1f5m h SER 106 CO 0.06 1.08 -0.27 0.35 -0.87 0.00 0.00 176.83 177.18 1f5m n THR 107 N -4.24 0.47 -2.30 2.95 -2.24 -0.38 -4.93 114.28 103.62 1f5m n THR 107 Ca -0.03 -0.27 -0.19 0.00 -2.27 0.00 0.00 64.05 61.29 1f5m n THR 107 Cb 0.46 -0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 68.30 1f5m n THR 107 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1f5m n LYS 108 N -2.17 -1.75 -4.79 -0.78 5.02 -0.73 -4.99 118.16 107.98 1f5m n LYS 108 Ca 0.05 0.95 -0.25 0.00 -2.02 0.00 0.00 58.31 57.04 1f5m n LYS 108 Cb 0.43 -5.57 -0.15 0.00 -0.02 0.00 0.00 35.03 29.72 1f5m n LYS 108 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1f5m s GLU 109 N -4.86 1.42 0.30 1.97 0.41 -1.16 -4.89 118.70 111.90 1f5m s GLU 109 Ca 0.00 -0.73 -0.30 0.00 -0.41 0.00 0.00 54.97 53.53 1f5m s GLU 109 Cb 0.00 -1.42 -0.12 0.00 -1.78 0.00 0.00 34.13 30.82 1f5m s GLU 109 CO 0.00 0.38 1.57 2.41 -0.49 0.00 0.00 175.26 179.13 1f5m n THR 110 N 2.38 1.17 -4.10 3.63 -1.04 -1.26 -4.41 114.28 110.66 1f5m n THR 110 Ca -0.16 -0.29 -0.35 0.00 -2.04 0.00 0.00 64.05 61.21 1f5m n THR 110 Cb 0.54 -1.93 -0.13 0.00 -1.82 0.00 0.00 70.33 66.99 1f5m n THR 110 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1f5m s GLN 111 N -0.74 3.56 -0.31 -2.82 -1.52 0.28 -4.98 119.66 113.14 1f5m s GLN 111 Ca 0.63 -0.55 0.00 0.00 -1.95 0.00 0.00 55.36 53.49 1f5m s GLN 111 Cb -0.50 -3.04 0.07 0.00 -0.22 0.00 0.00 33.01 29.32 1f5m s GLN 111 CO 0.51 -0.00 0.01 0.42 -0.25 0.00 0.00 175.29 175.98 1f5m s ILE 112 N 1.02 2.71 -0.30 1.08 1.01 -1.26 -0.78 121.20 124.68 1f5m s ILE 112 Ca 0.01 -1.71 -0.06 0.00 0.00 0.00 0.00 60.65 58.89 1f5m s ILE 112 Cb -0.14 -2.68 0.02 0.00 0.01 0.00 0.00 42.46 39.66 1f5m s ILE 112 CO 0.01 -0.26 0.07 -0.69 0.00 0.00 0.00 174.94 174.07 1f5m s VAL 113 N 1.14 3.82 -0.06 2.92 1.01 0.18 -4.97 120.40 124.43 1f5m s VAL 113 Ca -0.01 -0.82 0.18 0.00 0.00 0.00 0.00 61.98 61.32 1f5m s VAL 113 Cb -0.20 -3.01 0.12 0.00 0.00 0.00 0.00 36.38 33.29 1f5m s VAL 113 CO -0.04 0.04 1.57 1.55 0.00 0.00 0.00 175.10 178.22 1f5m h PRO 114 N 8.21 0.00 -1.84 2.72 0.13 -1.88 -0.60 132.00 138.74 1f5m h PRO 114 Ca -0.30 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.58 1f5m h PRO 114 Cb 1.11 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.95 1f5m h PRO 114 CO 0.60 0.41 -0.58 0.34 -0.23 0.00 0.00 178.00 178.53 1f5m s ASP 115 N -6.39 0.80 0.48 1.44 -1.08 -1.24 -1.27 116.67 109.40 1f5m s ASP 115 Ca 0.03 -0.68 0.18 0.00 -0.52 0.00 0.00 52.55 51.56 1f5m s ASP 115 Cb 0.08 0.89 1.20 0.00 -1.46 0.00 0.00 42.92 43.63 1f5m s ASP 115 CO 0.71 -0.34 2.01 1.62 0.52 0.00 0.00 175.17 179.69 1f5m h VAL 116 N 5.98 0.85 0.00 1.11 3.04 -1.31 0.22 116.25 126.14 1f5m h VAL 116 Ca -0.07 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 1f5m h VAL 116 Cb 1.10 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 1f5m h VAL 116 CO 0.27 0.04 0.00 0.59 -1.01 0.00 0.00 177.57 177.45 1f5m n ASN 117 N -4.45 0.00 -1.07 3.17 3.02 -1.26 -1.36 115.26 113.32 1f5m n ASN 117 Ca 0.08 -0.02 0.12 0.00 -0.03 0.00 0.00 54.58 54.73 1f5m n ASN 117 Cb 0.42 -0.32 0.18 0.00 -0.61 0.00 0.00 39.78 39.45 1f5m n ASN 117 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1f5m n LYS 118 N -1.32 2.42 -3.05 3.52 4.76 0.06 -4.85 118.16 119.71 1f5m n LYS 118 Ca 0.12 -2.12 -0.44 0.00 -2.87 0.00 0.00 58.31 53.01 1f5m n LYS 118 Cb 0.23 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 31.88 1f5m n LYS 118 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1f5m s TYR 119 N -1.70 2.94 0.10 2.13 5.04 -0.46 -5.01 117.35 120.39 1f5m s TYR 119 Ca 0.35 -0.52 -0.34 0.00 -2.44 0.00 0.00 57.07 54.11 1f5m s TYR 119 Cb 0.22 -3.82 -0.14 0.00 0.35 0.00 0.00 41.96 38.57 1f5m s TYR 119 CO 0.31 -1.22 1.61 -0.35 -1.34 0.00 0.00 175.55 174.56 1f5m n PRO 120 N 6.64 2.02 -0.81 4.97 -0.04 -1.26 -1.37 135.00 145.15 1f5m n PRO 120 Ca -0.05 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 1f5m n PRO 120 Cb 0.45 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 1f5m n PRO 120 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1f5m n GLY 121 N 3.51 0.57 3.65 0.55 0.00 -1.26 -4.72 105.19 107.48 1f5m n GLY 121 Ca 0.18 -0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 1f5m n GLY 121 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1f5m n HIS 122 N -2.81 1.80 -3.97 1.61 -0.00 -0.47 -2.88 115.22 108.50 1f5m n HIS 122 Ca 0.00 0.62 -0.32 0.00 -0.00 0.00 0.00 57.72 58.02 1f5m n HIS 122 Cb 0.00 -2.34 -0.14 0.00 -0.00 0.00 0.00 29.99 27.51 1f5m n HIS 122 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1f5m s ILE 123 N -1.03 2.52 -0.20 3.57 1.01 -1.26 -4.92 121.20 120.89 1f5m s ILE 123 Ca 0.58 -2.15 -0.25 0.00 0.00 0.00 0.00 60.65 58.82 1f5m s ILE 123 Cb -0.64 -2.76 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 1f5m s ILE 123 CO 0.61 -0.53 0.84 0.00 0.00 0.00 0.00 174.94 175.86 1f5m s ALA 124 N 0.99 3.59 -0.11 9.38 0.00 -1.26 -4.90 121.76 129.45 1f5m s ALA 124 Ca 0.07 -0.03 0.06 0.00 0.00 0.00 0.00 51.96 52.06 1f5m s ALA 124 Cb -0.20 -3.27 -0.24 0.00 0.00 0.00 0.00 23.12 19.41 1f5m s ALA 124 CO -0.06 -0.79 0.42 0.00 0.00 0.00 0.00 175.76 175.32 1f5m s ASP 126 N -6.35 3.53 0.27 0.00 -1.08 -1.26 -4.84 116.67 106.92 1f5m s ASP 126 Ca -0.13 -0.76 0.20 0.00 -0.52 0.00 0.00 52.55 51.33 1f5m s ASP 126 Cb 0.07 -1.53 1.00 0.00 -1.46 0.00 0.00 42.92 41.00 1f5m s ASP 126 CO 0.79 -0.04 1.61 0.61 0.52 0.00 0.00 175.17 178.65 1f5m n GLY 127 N 4.61 -0.94 0.59 2.66 0.00 -1.26 -2.07 105.19 108.78 1f5m n GLY 127 Ca -0.19 0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1f5m n GLY 127 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1f5m n GLU 128 N -2.16 1.73 -2.12 1.61 1.02 -1.26 -4.91 120.64 114.54 1f5m n GLU 128 Ca -0.00 -1.18 -0.42 0.00 -0.02 0.00 0.00 57.16 55.54 1f5m n GLU 128 Cb 0.08 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.00 1f5m n GLU 128 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1f5m s THR 129 N -2.09 3.06 -0.06 2.62 2.01 -0.88 -4.61 115.64 115.70 1f5m s THR 129 Ca 0.32 0.82 0.04 0.00 0.31 0.00 0.00 61.69 63.19 1f5m s THR 129 Cb 0.20 -3.52 -0.07 0.00 0.01 0.00 0.00 72.50 69.12 1f5m s THR 129 CO 0.36 0.10 0.01 0.29 -0.69 0.00 0.00 174.62 174.68 1f5m n LYS 130 N 3.21 2.67 -4.16 4.92 5.02 -0.09 -4.84 118.16 124.90 1f5m n LYS 130 Ca 0.09 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.28 1f5m n LYS 130 Cb 0.42 -1.14 -0.10 0.00 -0.02 0.00 0.00 35.03 34.18 1f5m n LYS 130 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1f5m s SER 131 N -3.83 0.94 -0.01 4.39 1.04 -0.99 -0.99 113.70 114.24 1f5m s SER 131 Ca -0.04 -1.04 -0.28 0.00 0.48 0.00 0.00 55.95 55.08 1f5m s SER 131 Cb 0.02 0.14 0.06 0.00 0.10 0.00 0.00 66.02 66.34 1f5m s SER 131 CO 0.22 -0.53 0.62 -0.70 0.98 0.00 0.00 173.24 173.83 1f5m s GLU 132 N -3.88 1.06 -0.04 4.02 2.12 -0.23 -0.83 118.70 120.92 1f5m s GLU 132 Ca 0.13 0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.53 1f5m s GLU 132 Cb 0.06 0.49 0.02 0.00 0.26 0.00 0.00 34.13 34.96 1f5m s GLU 132 CO -0.04 -0.35 -0.04 -1.50 -0.54 0.00 0.00 175.26 172.78 1f5m s ILE 133 N -1.71 0.44 -0.09 -3.70 2.07 -0.81 0.51 121.20 117.91 1f5m s ILE 133 Ca -0.09 -0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.07 1f5m s ILE 133 Cb -0.01 -0.48 0.02 0.00 0.13 0.00 0.00 42.46 42.13 1f5m s ILE 133 CO 0.05 0.20 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.51 1f5m s VAL 134 N 0.81 0.92 -0.20 4.00 1.01 0.04 -1.48 120.40 125.51 1f5m s VAL 134 Ca -0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 1f5m s VAL 134 Cb -0.13 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.33 1f5m s VAL 134 CO -0.00 0.33 -0.11 -0.69 0.00 0.00 0.00 175.10 174.63 1f5m s VAL 135 N 1.35 2.79 0.27 2.92 1.01 0.16 -0.55 120.40 128.34 1f5m s VAL 135 Ca -0.02 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 1f5m s VAL 135 Cb -0.14 -2.23 -0.09 0.00 0.00 0.00 0.00 36.38 33.92 1f5m s VAL 135 CO -0.04 0.48 1.02 -2.16 0.00 0.00 0.00 175.10 174.40 1f5m s PRO 136 N 1.36 4.70 -0.23 2.72 0.04 -1.26 0.02 135.00 142.36 1f5m s PRO 136 Ca 0.05 1.62 -0.15 0.00 0.04 0.00 0.00 61.00 62.55 1f5m s PRO 136 Cb -0.14 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1f5m s PRO 136 CO -0.07 0.33 0.37 0.42 0.04 0.00 0.00 177.00 178.08 1f5m s ILE 137 N -1.23 5.21 -0.08 0.56 1.01 0.12 -4.92 121.20 121.86 1f5m s ILE 137 Ca 0.44 0.61 -0.00 0.00 0.00 0.00 0.00 60.65 61.70 1f5m s ILE 137 Cb -0.28 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 1f5m s ILE 137 CO 0.35 0.23 -0.05 -0.63 0.00 0.00 0.00 174.94 174.84 1f5m s ILE 138 N 1.52 3.87 0.78 2.92 -1.09 -1.26 -0.30 121.20 127.64 1f5m s ILE 138 Ca 0.17 -0.41 -0.12 0.00 -2.23 0.00 0.00 60.65 58.06 1f5m s ILE 138 Cb -0.15 -2.60 0.06 0.00 -1.58 0.00 0.00 42.46 38.19 1f5m s ILE 138 CO 0.08 0.59 1.15 -0.94 -1.23 0.00 0.00 174.94 174.60 1f5m s SER 139 N -0.73 4.74 0.29 3.58 1.04 0.48 -4.82 113.70 118.27 1f5m s SER 139 Ca 0.11 0.89 -0.01 0.00 0.48 0.00 0.00 55.95 57.42 1f5m s SER 139 Cb -0.11 -1.47 0.47 0.00 0.10 0.00 0.00 66.02 65.00 1f5m s SER 139 CO 0.02 -1.77 1.91 0.78 0.98 0.00 0.00 173.24 175.16 1f5m h ASN 140 N -0.96 0.97 0.33 7.02 2.35 -1.94 0.69 115.58 124.04 1f5m h ASN 140 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1f5m h ASN 140 Cb 1.31 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.47 1f5m h ASN 140 CO 0.65 0.64 0.00 0.47 -1.65 0.00 0.00 177.43 177.54 1f5m n ASP 141 N -4.47 0.00 0.00 5.81 10.43 -1.26 -4.86 116.55 122.19 1f5m n ASP 141 Ca 0.14 0.44 0.00 0.00 2.57 0.00 0.00 54.79 57.94 1f5m n ASP 141 Cb 0.16 -0.47 0.00 0.00 1.84 0.00 0.00 41.12 42.65 1f5m n ASP 141 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1f5m n GLY 142 N -0.44 0.51 3.97 0.44 0.00 0.24 -5.06 105.19 104.86 1f5m n GLY 142 Ca 0.03 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 1f5m n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f5m s LYS 143 N -0.68 3.33 -0.28 1.61 1.02 -1.26 -4.73 119.74 118.76 1f5m s LYS 143 Ca 0.00 -0.81 -0.29 0.00 0.02 0.00 0.00 55.97 54.89 1f5m s LYS 143 Cb 0.00 -2.85 0.01 0.00 -0.52 0.00 0.00 37.83 34.46 1f5m s LYS 143 CO 0.00 0.29 1.18 0.99 -0.92 0.00 0.00 175.35 176.89 1f5m s THR 144 N -2.07 4.37 -0.07 2.17 2.01 -1.26 -0.39 115.64 120.40 1f5m s THR 144 Ca 0.38 1.59 0.14 0.00 0.31 0.00 0.00 61.69 64.11 1f5m s THR 144 Cb -0.09 -4.25 -0.13 0.00 0.01 0.00 0.00 72.50 68.04 1f5m s THR 144 CO 0.30 -0.38 0.97 -0.07 -0.69 0.00 0.00 174.62 174.74 1f5m h LEU 145 N 10.21 0.00 0.00 4.42 3.38 -1.00 -3.43 115.31 128.89 1f5m h LEU 145 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1f5m h LEU 145 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1f5m h LEU 145 CO 1.02 0.73 0.00 0.61 0.09 0.00 0.00 178.44 180.88 1f5m n GLY 146 N 1.39 -1.30 3.14 0.83 0.00 -1.23 -0.21 105.19 107.82 1f5m n GLY 146 Ca -0.08 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 1f5m n GLY 146 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1f5m s VAL 147 N -3.00 0.68 -0.21 1.61 -7.23 -0.11 0.10 120.40 112.24 1f5m s VAL 147 Ca 0.00 -1.67 -0.08 0.00 -1.81 0.00 0.00 61.98 58.43 1f5m s VAL 147 Cb 0.00 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 1f5m s VAL 147 CO 0.00 -0.70 0.08 -0.63 -0.31 0.00 0.00 175.10 173.53 1f5m s ILE 148 N -2.88 4.74 -0.11 -0.62 1.01 0.10 -2.18 121.20 121.26 1f5m s ILE 148 Ca 0.05 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.66 1f5m s ILE 148 Cb 0.00 -3.17 0.02 0.00 0.01 0.00 0.00 42.46 39.33 1f5m s ILE 148 CO -0.03 0.41 -0.11 -0.62 0.00 0.00 0.00 174.94 174.59 1f5m s ASP 149 N 0.77 2.29 -0.09 3.58 2.15 0.57 -0.66 116.67 125.28 1f5m s ASP 149 Ca 0.04 -0.37 0.03 0.00 0.43 0.00 0.00 52.55 52.68 1f5m s ASP 149 Cb -0.13 -0.97 0.00 0.00 -0.30 0.00 0.00 42.92 41.52 1f5m s ASP 149 CO 0.02 -0.05 -0.20 -0.63 -0.17 0.00 0.00 175.17 174.13 1f5m s ILE 150 N 1.36 1.76 0.04 4.11 1.01 -0.55 -0.45 121.20 128.48 1f5m s ILE 150 Ca -0.00 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.83 1f5m s ILE 150 Cb -0.14 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1f5m s ILE 150 CO -0.06 0.49 -0.00 -1.81 0.00 0.00 0.00 174.94 173.56 1f5m s ASP 151 N 0.44 5.04 0.04 3.58 1.11 0.55 -1.93 116.67 125.49 1f5m s ASP 151 Ca -0.17 -0.10 0.06 0.00 0.18 0.00 0.00 52.55 52.52 1f5m s ASP 151 Cb -0.17 -1.25 -0.02 0.00 1.07 0.00 0.00 42.92 42.54 1f5m s ASP 151 CO 0.07 0.23 -0.18 0.00 1.18 0.00 0.00 175.17 176.48 1f5m h LEU 153 N 4.92 0.00 -9.63 0.00 3.38 -1.38 -0.11 115.31 112.48 1f5m h LEU 153 Ca -0.40 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.01 1f5m h LEU 153 Cb 1.17 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.83 1f5m h LEU 153 CO 0.44 0.00 -0.62 -1.81 0.09 0.00 0.00 178.44 176.54 1f5m s ASP 154 N -4.95 4.91 0.79 -0.43 1.01 -1.26 -4.39 116.67 112.35 1f5m s ASP 154 Ca 0.08 -0.44 -0.11 0.00 0.71 0.00 0.00 52.55 52.79 1f5m s ASP 154 Cb 0.10 -1.07 0.07 0.00 1.01 0.00 0.00 42.92 43.03 1f5m s ASP 154 CO 0.57 0.02 1.09 -0.31 0.21 0.00 0.00 175.17 176.75 1f5m s TYR 155 N -2.06 2.56 -1.49 4.23 1.51 -1.26 -3.25 117.35 117.59 1f5m s TYR 155 Ca 0.30 1.50 -0.10 0.00 -1.01 0.00 0.00 57.07 57.76 1f5m s TYR 155 Cb -0.08 -3.06 0.07 0.00 -0.11 0.00 0.00 41.96 38.78 1f5m s TYR 155 CO 0.21 -1.87 0.85 0.39 -1.11 0.00 0.00 175.55 174.02 1f5m n GLU 156 N -3.57 -4.96 0.09 -0.62 1.02 -0.40 -4.89 120.64 107.31 1f5m n GLU 156 Ca 0.09 0.56 0.13 0.00 -0.02 0.00 0.00 57.16 57.92 1f5m n GLU 156 Cb 0.53 -5.30 0.34 0.00 -0.02 0.00 0.00 31.44 26.99 1f5m n GLU 156 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1f5m n GLY 157 N -1.66 -1.61 3.34 0.62 0.00 -1.25 -4.93 105.19 99.69 1f5m n GLY 157 Ca -0.06 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 1f5m n GLY 157 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f5m s PHE 158 N -3.12 1.77 0.22 1.61 0.40 -1.26 -5.04 117.98 112.57 1f5m s PHE 158 Ca 0.09 -0.51 0.02 0.00 -0.60 0.00 0.00 56.93 55.94 1f5m s PHE 158 Cb 0.13 -0.86 -0.01 0.00 0.51 0.00 0.00 43.02 42.80 1f5m s PHE 158 CO 0.63 0.34 0.25 -0.40 0.70 0.00 0.00 175.22 176.75 1f5m n ASP 159 N 0.03 -0.68 0.00 1.36 3.85 -1.26 -4.96 116.55 114.89 1f5m n ASP 159 Ca -0.11 -2.35 0.06 0.00 -0.71 0.00 0.00 54.79 51.68 1f5m n ASP 159 Cb 0.58 1.38 0.28 0.00 -1.35 0.00 0.00 41.12 42.02 1f5m n ASP 159 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 1f5m n HIS 160 N -0.40 0.00 0.06 2.11 8.25 -1.26 -1.59 115.22 122.40 1f5m n HIS 160 Ca 0.03 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.38 1f5m n HIS 160 Cb 0.39 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 31.00 1f5m n HIS 160 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1f5m h VAL 161 N 0.00 1.40 -0.51 1.59 2.07 -1.99 -1.46 116.25 117.36 1f5m h VAL 161 Ca 0.00 -2.31 -0.07 0.00 0.82 0.00 0.00 66.70 65.14 1f5m h VAL 161 Cb 0.23 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 1f5m h VAL 161 CO 0.00 0.69 0.05 0.44 0.02 0.00 0.00 177.57 178.77 1f5m h ASP 162 N 0.23 0.83 -0.69 0.57 3.32 -1.71 -1.79 116.42 117.19 1f5m h ASP 162 Ca -0.05 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.70 1f5m h ASP 162 Cb 1.42 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 1f5m h ASP 162 CO 0.14 0.90 0.33 0.50 -1.72 0.00 0.00 179.24 179.38 1f5m h LYS 163 N 0.73 0.99 0.02 3.56 3.64 -1.46 0.89 116.57 124.94 1f5m h LYS 163 Ca 0.15 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1f5m h LYS 163 Cb 0.44 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1f5m h LYS 163 CO 0.02 0.79 -0.01 1.49 -2.27 0.00 0.00 179.45 179.47 1f5m h GLU 164 N 0.96 -0.02 -0.32 1.90 4.81 -1.02 0.37 114.58 121.25 1f5m h GLU 164 Ca 0.24 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.34 1f5m h GLU 164 Cb 0.13 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1f5m h GLU 164 CO -0.03 0.15 -0.31 0.74 -0.73 0.00 0.00 179.01 178.83 1f5m h PHE 165 N -0.19 0.79 0.00 0.92 -1.00 -1.23 -2.73 116.94 113.49 1f5m h PHE 165 Ca -0.00 -0.20 -0.11 0.00 2.81 0.00 0.00 57.97 60.47 1f5m h PHE 165 Cb 0.18 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.55 1f5m h PHE 165 CO -0.02 0.90 -0.53 -0.07 -1.61 0.00 0.00 178.31 176.98 1f5m h LEU 166 N 0.58 0.00 -0.78 1.54 3.38 -0.71 -1.64 115.31 117.67 1f5m h LEU 166 Ca 0.07 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1f5m h LEU 166 Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1f5m h LEU 166 CO 0.07 0.53 -0.40 -0.33 0.09 0.00 0.00 178.44 178.40 1f5m h GLU 167 N 0.00 0.00 -0.18 1.13 5.08 -0.81 -0.73 114.58 119.08 1f5m h GLU 167 Ca -0.01 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1f5m h GLU 167 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1f5m h GLU 167 CO 0.07 0.40 -0.70 0.87 -1.00 0.00 0.00 179.01 178.64 1f5m h LYS 168 N 0.00 0.75 -0.66 2.33 1.57 -1.13 -2.76 116.57 116.66 1f5m h LYS 168 Ca -0.00 -0.57 -0.06 0.00 -1.87 0.00 0.00 60.65 58.15 1f5m h LYS 168 Cb 0.98 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 1f5m h LYS 168 CO 0.05 1.18 0.16 1.25 -0.57 0.00 0.00 179.45 181.52 1f5m h LEU 169 N 0.53 0.99 -0.92 2.94 5.85 -1.03 -2.01 115.31 121.67 1f5m h LEU 169 Ca -0.03 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 1f5m h LEU 169 Cb 1.32 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1f5m h LEU 169 CO 0.14 0.95 0.20 0.00 -0.34 0.00 0.00 178.44 179.40 1f5m h ALA 170 N 1.17 1.13 -0.28 1.25 0.00 -1.09 -1.15 119.26 120.28 1f5m h ALA 170 Ca 0.21 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1f5m h ALA 170 Cb 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1f5m h ALA 170 CO 0.00 0.60 -0.25 0.87 0.00 0.00 0.00 179.25 180.47 1f5m h LYS 171 N 0.96 0.54 0.00 0.00 1.57 -1.11 -1.32 116.57 117.21 1f5m h LYS 171 Ca 0.21 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1f5m h LYS 171 Cb 0.27 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1f5m h LYS 171 CO -0.01 0.75 -0.49 -0.07 -0.57 0.00 0.00 179.45 179.06 1f5m h LEU 172 N 0.48 0.00 -0.07 2.94 3.38 -0.90 -2.01 115.31 119.12 1f5m h LEU 172 Ca 0.07 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1f5m h LEU 172 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1f5m h LEU 172 CO 0.05 0.49 -0.29 0.40 0.09 0.00 0.00 178.44 179.18 1f5m h ILE 173 N 0.00 1.43 -0.82 1.22 2.04 -0.93 -1.69 117.51 118.76 1f5m h ILE 173 Ca -0.00 -1.71 0.06 0.00 1.00 0.00 0.00 64.86 64.21 1f5m h ILE 173 Cb 0.93 2.34 -0.06 0.00 -0.74 0.00 0.00 36.82 39.28 1f5m h ILE 173 CO 0.06 0.49 0.50 -1.13 0.00 0.00 0.00 178.15 178.08 1f5m h ASN 174 N -0.19 0.79 1.81 1.72 -0.00 -1.01 0.20 115.58 118.90 1f5m h ASN 174 Ca -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1f5m h ASN 174 Cb 0.94 -0.15 0.00 0.00 -0.00 0.00 0.00 38.32 39.12 1f5m h ASN 174 CO 0.06 0.51 0.00 0.11 -0.00 0.00 0.00 177.43 178.11 1f5m h LYS 175 N 0.92 0.00 0.00 6.67 1.57 -1.38 -3.32 116.57 121.03 1f5m h LYS 175 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1f5m h LYS 175 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1f5m h LYS 175 CO -0.17 0.00 -1.47 -1.13 -0.57 0.00 0.00 179.45 176.11 1f5m n SER 176 N -3.00 0.79 -4.50 0.86 3.41 -0.64 -4.99 113.62 105.55 1f5m n SER 176 Ca 0.04 -0.35 -0.27 0.00 -0.26 0.00 0.00 58.87 58.03 1f5m n SER 176 Cb 0.49 1.53 -0.10 0.00 -0.26 0.00 0.00 64.21 65.86 1f5m n SER 176 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f5m s VAL 178 N -1.63 2.70 -2.62 0.00 1.01 -1.00 -4.80 120.40 114.05 1f5m s VAL 178 Ca 0.22 -1.35 0.27 0.00 0.00 0.00 0.00 61.98 61.13 1f5m s VAL 178 Cb -0.09 -2.50 0.46 0.00 0.00 0.00 0.00 36.38 34.26 1f5m s VAL 178 CO 0.12 0.02 1.63 0.49 0.00 0.00 0.00 175.10 177.36