#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o6u n PRO 7 N 0.00 0.63 -4.42 -0.14 -0.02 -1.26 -4.67 135.00 125.11 2o6u n PRO 7 Ca 0.00 0.23 -0.23 0.00 -2.02 0.00 0.00 63.50 61.48 2o6u n PRO 7 Cb 0.00 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 31.88 2o6u n PRO 7 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2o6u s LEU 8 N 1.72 2.54 0.18 2.45 1.43 -1.26 -1.71 118.68 124.04 2o6u s LEU 8 Ca 0.62 -0.99 -0.16 0.00 -1.03 0.00 0.00 54.13 52.57 2o6u s LEU 8 Cb -0.66 -0.99 0.13 0.00 0.03 0.00 0.00 46.19 44.70 2o6u s LEU 8 CO 0.58 -0.00 1.65 -0.09 0.23 0.00 0.00 176.35 178.72 2o6u h ARG 9 N 2.57 -0.02 0.00 1.70 2.43 -1.82 -1.67 114.38 117.58 2o6u h ARG 9 Ca -0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 2o6u h ARG 9 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2o6u h ARG 9 CO 0.58 -0.01 0.00 -0.85 -1.51 0.00 0.00 179.97 178.17 2o6u n GLU 10 N -5.35 0.18 0.00 0.20 0.00 -1.26 -1.76 120.64 112.64 2o6u n GLU 10 Ca 0.04 0.41 0.02 0.00 0.00 0.00 0.00 57.16 57.63 2o6u n GLU 10 Cb 0.26 -1.84 0.13 0.00 0.00 0.00 0.00 31.44 29.99 2o6u n GLU 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2o6u n GLN 11 N -2.18 0.52 -4.49 3.44 6.02 -0.63 -4.76 117.38 115.31 2o6u n GLN 11 Ca 0.02 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.80 2o6u n GLN 11 Cb 0.22 -1.13 -0.14 0.00 1.02 0.00 0.00 30.24 30.21 2o6u n GLN 11 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2o6u s TYR 12 N -2.00 1.21 -0.16 1.08 1.51 -0.72 -4.91 117.35 113.36 2o6u s TYR 12 Ca 0.07 -0.28 0.13 0.00 -1.01 0.00 0.00 57.07 55.97 2o6u s TYR 12 Cb 0.03 -0.75 -0.24 0.00 -0.11 0.00 0.00 41.96 40.89 2o6u s TYR 12 CO 0.05 0.01 0.23 1.47 -1.11 0.00 0.00 175.55 176.20 2o6u n LEU 13 N 2.36 0.76 -4.01 -1.29 -0.00 -0.79 -4.90 117.00 109.12 2o6u n LEU 13 Ca -0.16 0.12 -0.19 0.00 -0.00 0.00 0.00 56.01 55.78 2o6u n LEU 13 Cb 0.55 0.14 -0.15 0.00 -0.00 0.00 0.00 43.42 43.96 2o6u n LEU 13 CO 0.24 0.54 -0.44 -2.28 -0.00 0.00 0.00 177.39 175.45 2o6u s HIS 14 N -2.53 0.87 -0.06 1.47 5.65 -0.71 -4.98 115.29 115.01 2o6u s HIS 14 Ca -0.12 -0.19 0.05 0.00 0.25 0.00 0.00 55.06 55.05 2o6u s HIS 14 Cb 0.07 -0.59 -0.00 0.00 -1.18 0.00 0.00 32.58 30.88 2o6u s HIS 14 CO 0.80 -0.05 -0.20 -0.06 -0.65 0.00 0.00 174.74 174.58 2o6u s PHE 15 N -0.04 2.04 -0.02 3.88 0.40 -1.26 -0.54 117.98 122.45 2o6u s PHE 15 Ca 0.01 -0.65 0.05 0.00 -0.60 0.00 0.00 56.93 55.74 2o6u s PHE 15 Cb -0.06 -1.37 -0.01 0.00 0.51 0.00 0.00 43.02 42.10 2o6u s PHE 15 CO -0.00 -0.23 -0.16 -0.65 0.70 0.00 0.00 175.22 174.88 2o6u s GLN 16 N 0.07 1.42 0.00 0.44 -0.21 -0.62 -4.94 119.66 115.83 2o6u s GLN 16 Ca -0.07 -0.58 -0.29 0.00 0.02 0.00 0.00 55.36 54.45 2o6u s GLN 16 Cb -0.14 -1.33 -0.04 0.00 1.00 0.00 0.00 33.01 32.51 2o6u s GLN 16 CO 0.04 0.31 0.93 -2.14 -2.12 0.00 0.00 175.29 172.31 2o6u s PRO 17 N -0.25 4.56 -0.07 2.91 0.02 -1.26 -0.50 135.00 140.40 2o6u s PRO 17 Ca 0.03 1.33 0.04 0.00 0.02 0.00 0.00 61.00 62.42 2o6u s PRO 17 Cb -0.08 -3.44 -0.01 0.00 0.02 0.00 0.00 34.50 30.99 2o6u s PRO 17 CO 0.00 0.01 -0.21 0.42 -0.33 0.00 0.00 177.00 176.89 2o6u s ILE 18 N 0.81 2.41 0.17 2.83 1.09 -1.09 -4.98 121.20 122.43 2o6u s ILE 18 Ca 0.49 -0.93 -0.26 0.00 -1.10 0.00 0.00 60.65 58.85 2o6u s ILE 18 Cb -0.21 -1.92 -0.08 0.00 -1.06 0.00 0.00 42.46 39.19 2o6u s ILE 18 CO 0.26 0.56 0.79 -0.94 -0.10 0.00 0.00 174.94 175.52 2o6u s SER 19 N -0.12 7.41 0.52 3.58 1.04 -1.26 -3.87 113.70 121.00 2o6u s SER 19 Ca -0.04 1.67 -0.09 0.00 0.48 0.00 0.00 55.95 57.98 2o6u s SER 19 Cb -0.14 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.43 2o6u s SER 19 CO 0.04 0.20 0.88 0.42 0.98 0.00 0.00 173.24 175.75 2o6u s THR 20 N -1.10 4.80 0.22 2.02 -4.23 -1.26 -5.04 115.64 111.05 2o6u s THR 20 Ca 0.36 0.56 0.10 0.00 -1.18 0.00 0.00 61.69 61.53 2o6u s THR 20 Cb -0.23 -3.84 -0.05 0.00 1.34 0.00 0.00 72.50 69.72 2o6u s THR 20 CO 0.27 -0.88 -0.19 -0.13 -0.54 0.00 0.00 174.62 173.14 2o6u s ARG 21 N -4.69 1.48 0.13 3.99 0.52 -1.26 -4.95 118.95 114.17 2o6u s ARG 21 Ca 0.51 -1.61 -0.25 0.00 -0.52 0.00 0.00 55.73 53.87 2o6u s ARG 21 Cb -0.10 -1.53 -0.02 0.00 0.52 0.00 0.00 34.95 33.81 2o6u s ARG 21 CO 0.45 0.29 1.62 2.35 0.02 0.00 0.00 175.30 180.04 2o6u h TRP 22 N 2.71 -0.76 0.00 -0.53 2.91 -1.98 0.18 115.95 118.48 2o6u h TRP 22 Ca -0.41 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.64 2o6u h TRP 22 Cb 1.23 0.35 0.00 0.00 -0.51 0.00 0.00 29.16 30.23 2o6u h TRP 22 CO 0.74 -0.36 0.00 1.58 -1.03 0.00 0.00 178.44 179.36 2o6u n HIS 23 N -5.39 0.00 -0.32 2.65 -0.00 -1.26 -2.83 115.22 108.07 2o6u n HIS 23 Ca -0.03 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.16 2o6u n HIS 23 Cb 0.31 0.00 0.15 0.00 -0.12 0.00 0.00 29.99 30.33 2o6u n HIS 23 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 2o6u h ASP 24 N 0.00 0.85 -3.84 0.26 3.32 -1.03 -3.42 116.42 112.56 2o6u h ASP 24 Ca 0.00 0.02 -0.51 0.00 0.02 0.00 0.00 57.03 56.56 2o6u h ASP 24 Cb 0.00 -0.16 0.04 0.00 0.22 0.00 0.00 39.33 39.43 2o6u h ASP 24 CO 0.00 0.53 0.54 0.20 -1.72 0.00 0.00 179.24 178.79 2o6u s ASN 25 N -5.76 7.04 0.03 6.45 0.01 -1.13 -1.48 114.94 120.10 2o6u s ASN 25 Ca -0.13 2.43 0.00 0.00 -0.71 0.00 0.00 52.86 54.46 2o6u s ASN 25 Cb 0.19 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.21 2o6u s ASN 25 CO 0.79 -0.32 0.00 -0.90 -1.51 0.00 0.00 177.10 175.16 2o6u n ASP 26 N 0.98 0.00 0.27 -1.22 5.68 0.07 -4.85 116.55 117.47 2o6u n ASP 26 Ca -0.00 -0.78 0.12 0.00 -0.50 0.00 0.00 54.79 53.62 2o6u n ASP 26 Cb 0.44 0.00 0.75 0.00 -1.14 0.00 0.00 41.12 41.17 2o6u n ASP 26 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2o6u h ILE 27 N -0.03 0.71 -0.01 2.12 2.10 -1.97 -1.00 117.51 119.44 2o6u h ILE 27 Ca 0.00 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.69 2o6u h ILE 27 Cb 0.00 1.15 0.00 0.00 -1.09 0.00 0.00 36.82 36.88 2o6u h ILE 27 CO 0.00 0.06 -0.21 -1.22 -1.08 0.00 0.00 178.15 175.70 2o6u n TYR 28 N -3.98 0.00 0.00 2.19 4.01 -1.26 -4.94 117.16 113.18 2o6u n TYR 28 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2o6u n TYR 28 Cb 0.15 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 2o6u n TYR 28 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2o6u n GLY 29 N 1.31 0.43 3.82 2.72 0.00 -0.38 -5.07 105.19 108.02 2o6u n GLY 29 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 2o6u n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2o6u s HIS 30 N -2.00 2.12 0.25 1.61 3.76 -1.26 -4.77 115.29 114.99 2o6u s HIS 30 Ca 0.00 -0.74 -0.30 0.00 -0.15 0.00 0.00 55.06 53.87 2o6u s HIS 30 Cb 0.00 -1.90 -0.10 0.00 1.11 0.00 0.00 32.58 31.69 2o6u s HIS 30 CO 0.00 -0.08 1.33 0.08 -0.85 0.00 0.00 174.74 175.22 2o6u s VAL 31 N -2.70 2.95 0.46 -0.90 1.01 0.13 -0.75 120.40 120.60 2o6u s VAL 31 Ca 0.33 0.84 -0.24 0.00 0.00 0.00 0.00 61.98 62.91 2o6u s VAL 31 Cb 0.01 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.78 2o6u s VAL 31 CO 0.19 0.15 1.28 0.21 0.00 0.00 0.00 175.10 176.93 2o6u s ASN 32 N 0.05 5.97 0.25 3.32 3.84 -0.55 -4.82 114.94 123.01 2o6u s ASN 32 Ca 0.55 2.59 -0.03 0.00 0.21 0.00 0.00 52.86 56.17 2o6u s ASN 32 Cb -0.38 -2.63 0.40 0.00 -0.55 0.00 0.00 41.25 38.09 2o6u s ASN 32 CO 0.44 -1.08 1.85 -0.55 -2.79 0.00 0.00 177.10 174.97 2o6u h ASN 33 N 2.14 0.87 -0.32 -4.21 7.08 -1.93 -0.89 115.58 118.32 2o6u h ASN 33 Ca -0.50 0.03 0.06 0.00 -3.08 0.00 0.00 56.30 52.81 2o6u h ASN 33 Cb 1.26 -0.15 -0.02 0.00 -2.08 0.00 0.00 38.32 37.33 2o6u h ASN 33 CO 0.60 0.53 0.22 0.58 -2.08 0.00 0.00 177.43 177.29 2o6u h VAL 34 N 0.99 0.91 0.00 6.14 2.07 -1.99 -1.70 116.25 122.68 2o6u h VAL 34 Ca 0.41 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.86 2o6u h VAL 34 Cb 0.26 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2o6u h VAL 34 CO -0.20 0.03 -0.10 0.74 0.02 0.00 0.00 177.57 178.05 2o6u h THR 35 N 0.15 0.53 -0.83 2.57 2.02 -1.52 -2.57 112.91 113.25 2o6u h THR 35 Ca 0.15 -0.47 0.12 0.00 0.77 0.00 0.00 66.41 66.98 2o6u h THR 35 Cb 0.40 1.31 -0.08 0.00 -1.74 0.00 0.00 68.15 68.03 2o6u h THR 35 CO -0.02 0.10 0.45 1.88 0.37 0.00 0.00 175.52 178.30 2o6u h TYR 36 N 0.00 0.80 -0.36 3.16 -1.99 -1.35 -1.23 116.97 116.00 2o6u h TYR 36 Ca -0.00 0.03 -0.12 0.00 2.00 0.00 0.00 58.73 60.64 2o6u h TYR 36 Cb 0.30 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 2o6u h TYR 36 CO 0.00 0.26 -0.26 1.88 -0.00 0.00 0.00 178.16 180.04 2o6u h TYR 37 N 0.70 0.85 -0.48 4.88 -1.99 -1.64 -0.79 116.97 118.50 2o6u h TYR 37 Ca 0.43 -0.20 0.10 0.00 2.00 0.00 0.00 58.73 61.05 2o6u h TYR 37 Cb 0.51 -0.20 -0.09 0.00 2.00 0.00 0.00 36.73 38.95 2o6u h TYR 37 CO -0.08 0.92 -0.11 0.00 -0.00 0.00 0.00 178.16 178.89 2o6u h ALA 38 N 1.07 0.32 -0.94 3.88 0.00 -1.41 0.23 119.26 122.41 2o6u h ALA 38 Ca 0.08 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.22 2o6u h ALA 38 Cb 0.77 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 2o6u h ALA 38 CO 0.06 -0.44 0.61 0.74 0.00 0.00 0.00 179.25 180.22 2o6u h PHE 39 N 0.00 1.14 0.87 0.00 0.04 -0.08 -0.45 116.94 118.46 2o6u h PHE 39 Ca 0.23 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.99 2o6u h PHE 39 Cb 0.35 -0.38 0.01 0.00 2.20 0.00 0.00 35.95 38.13 2o6u h PHE 39 CO -0.40 0.64 -0.43 0.74 -0.60 0.00 0.00 178.31 178.26 2o6u h PHE 40 N 1.16 -1.12 0.00 -0.55 0.04 0.65 -0.19 116.94 116.93 2o6u h PHE 40 Ca 0.38 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 61.10 2o6u h PHE 40 Cb 0.04 0.38 -0.00 0.00 2.20 0.00 0.00 35.95 38.56 2o6u h PHE 40 CO -0.01 -0.69 -0.11 0.38 -0.60 0.00 0.00 178.31 177.28 2o6u h ASP 41 N -1.18 0.00 -0.56 2.17 2.03 -0.71 -0.84 116.42 117.33 2o6u h ASP 41 Ca -0.12 0.00 0.06 0.00 -0.73 0.00 0.00 57.03 56.24 2o6u h ASP 41 Cb 0.91 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.36 2o6u h ASP 41 CO 0.19 0.11 0.27 0.74 -1.03 0.00 0.00 179.24 179.52 2o6u h THR 42 N 0.00 0.91 -0.13 1.15 2.02 -1.03 -1.48 112.91 114.35 2o6u h THR 42 Ca -0.00 -0.17 -0.09 0.00 0.77 0.00 0.00 66.41 66.91 2o6u h THR 42 Cb 1.04 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 2o6u h THR 42 CO 0.01 0.09 -0.27 0.00 0.37 0.00 0.00 175.52 175.72 2o6u h ALA 43 N 1.32 0.21 0.42 6.16 0.00 0.35 -0.93 119.26 126.79 2o6u h ALA 43 Ca 0.25 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2o6u h ALA 43 Cb 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2o6u h ALA 43 CO -0.20 0.21 -0.34 0.28 0.00 0.00 0.00 179.25 179.21 2o6u h VAL 44 N 0.01 0.30 -0.48 0.00 2.07 -1.39 -2.93 116.25 113.83 2o6u h VAL 44 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2o6u h VAL 44 Cb 0.87 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2o6u h VAL 44 CO 0.06 0.00 0.13 0.78 0.02 0.00 0.00 177.57 178.56 2o6u h ASN 45 N -0.76 0.66 -0.52 0.57 2.35 -1.23 0.83 115.58 117.48 2o6u h ASN 45 Ca -0.04 -0.10 0.05 0.00 -0.55 0.00 0.00 56.30 55.65 2o6u h ASN 45 Cb 0.66 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 2o6u h ASN 45 CO -0.02 0.65 0.27 0.74 -1.65 0.00 0.00 177.43 177.42 2o6u h THR 46 N 0.70 0.96 -0.09 2.81 2.02 -1.18 -0.46 112.91 117.67 2o6u h THR 46 Ca 0.16 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 2o6u h THR 46 Cb 0.24 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 2o6u h THR 46 CO -0.00 0.10 0.06 0.22 0.37 0.00 0.00 175.52 176.26 2o6u h TYR 47 N 0.52 0.13 -0.60 3.16 3.20 -0.84 -1.29 116.97 121.25 2o6u h TYR 47 Ca 0.23 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.19 2o6u h TYR 47 Cb 0.13 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 2o6u h TYR 47 CO -0.10 0.13 0.40 -0.07 -1.64 0.00 0.00 178.16 176.88 2o6u h LEU 48 N 0.09 0.41 0.01 2.82 3.38 -0.55 0.06 115.31 121.52 2o6u h LEU 48 Ca 0.03 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2o6u h LEU 48 Cb 0.04 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2o6u h LEU 48 CO -0.01 0.25 -0.14 0.40 0.09 0.00 0.00 178.44 179.04 2o6u h ILE 49 N 0.46 1.63 0.11 1.22 2.04 -0.49 -2.54 117.51 119.94 2o6u h ILE 49 Ca 0.27 -2.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.09 2o6u h ILE 49 Cb 0.46 2.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.52 2o6u h ILE 49 CO -0.08 0.54 -0.05 -0.33 0.00 0.00 0.00 178.15 178.23 2o6u h GLU 50 N -0.71 -0.15 -0.62 2.37 5.08 -1.17 -3.35 114.58 116.03 2o6u h GLU 50 Ca -0.02 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2o6u h GLU 50 Cb 0.96 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2o6u h GLU 50 CO 0.03 0.34 0.00 0.54 -1.00 0.00 0.00 179.01 178.92 2o6u n ARG 51 N -4.87 3.00 0.00 2.33 3.00 -0.00 -4.59 116.66 115.54 2o6u n ARG 51 Ca -0.08 -2.31 0.00 0.00 -0.01 0.00 0.00 57.85 55.46 2o6u n ARG 51 Cb 0.28 -1.69 0.00 0.00 0.00 0.00 0.00 32.46 31.05 2o6u n ARG 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2o6u n GLY 52 N 1.14 0.70 0.00 -0.13 0.00 -0.98 -4.55 105.19 101.38 2o6u n GLY 52 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2o6u n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o6u n GLY 53 N 0.00 2.16 3.59 -0.02 0.00 -1.11 -3.13 105.19 106.68 2o6u n GLY 53 Ca 0.00 -0.67 -0.50 0.00 0.00 0.00 0.00 46.02 44.85 2o6u n GLY 53 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2o6u n LEU 54 N 0.00 1.64 -1.59 0.99 -0.00 -1.25 -4.88 117.00 111.91 2o6u n LEU 54 Ca 0.00 1.13 -0.04 0.00 -0.00 0.00 0.00 56.01 57.10 2o6u n LEU 54 Cb 0.00 -1.21 0.02 0.00 -0.00 0.00 0.00 43.42 42.23 2o6u n LEU 54 CO 0.00 -1.16 0.03 0.47 -0.00 0.00 0.00 177.39 176.73 2o6u n ASP 55 N 2.25 -2.08 0.08 1.45 8.00 -1.26 -3.88 116.55 121.12 2o6u n ASP 55 Ca 0.16 -0.15 -0.07 0.00 0.71 0.00 0.00 54.79 55.44 2o6u n ASP 55 Cb 0.23 -1.67 -0.04 0.00 -0.02 0.00 0.00 41.12 39.62 2o6u n ASP 55 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 2o6u h ILE 56 N -0.49 1.60 0.00 0.53 3.07 -1.92 0.50 117.51 120.80 2o6u h ILE 56 Ca -0.15 -2.96 -0.05 0.00 1.55 0.00 0.00 64.86 63.24 2o6u h ILE 56 Cb 1.09 2.63 -0.01 0.00 -0.27 0.00 0.00 36.82 40.26 2o6u h ILE 56 CO 0.13 0.85 -0.37 1.56 -1.05 0.00 0.00 178.15 179.27 2o6u h GLN 57 N 0.03 0.00 0.20 0.16 7.50 -2.00 -3.42 115.11 117.58 2o6u h GLN 57 Ca -0.03 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.12 2o6u h GLN 57 Cb 1.59 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 29.12 2o6u h GLN 57 CO 0.13 0.57 -0.16 0.78 -1.50 0.00 0.00 178.83 178.65 2o6u h GLY 58 N -1.00 -0.76 -3.17 3.46 0.00 -2.02 -3.48 103.07 96.10 2o6u h GLY 58 Ca -0.08 0.33 -0.57 0.00 0.00 0.00 0.00 47.33 47.01 2o6u h GLY 58 CO -0.05 -0.26 -0.93 0.61 0.00 0.00 0.00 176.54 175.90 2o6u n GLY 59 N -1.19 -2.70 0.03 4.60 0.00 0.18 -4.94 105.19 101.16 2o6u n GLY 59 Ca -0.04 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.71 2o6u n GLY 59 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2o6u n GLU 60 N 0.66 0.19 -5.17 1.61 4.71 -1.26 -4.84 120.64 116.54 2o6u n GLU 60 Ca 0.07 0.02 -0.30 0.00 -0.01 0.00 0.00 57.16 56.93 2o6u n GLU 60 Cb 0.50 -1.58 -0.16 0.00 -1.01 0.00 0.00 31.44 29.19 2o6u n GLU 60 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2o6u s VAL 61 N -3.12 1.91 0.12 2.62 0.11 -1.26 0.11 120.40 120.89 2o6u s VAL 61 Ca 0.07 -0.99 0.04 0.00 -2.93 0.00 0.00 61.98 58.17 2o6u s VAL 61 Cb 0.15 -1.62 -0.04 0.00 -1.53 0.00 0.00 36.38 33.34 2o6u s VAL 61 CO 0.76 0.53 -0.10 0.27 -3.33 0.00 0.00 175.10 173.23 2o6u s ILE 62 N -0.12 1.03 -0.20 7.04 -4.36 -0.65 -4.93 121.20 119.02 2o6u s ILE 62 Ca -0.04 -1.81 -0.15 0.00 -0.26 0.00 0.00 60.65 58.40 2o6u s ILE 62 Cb -0.13 -1.56 -0.04 0.00 1.25 0.00 0.00 42.46 41.97 2o6u s ILE 62 CO 0.03 -0.63 0.34 -0.83 0.24 0.00 0.00 174.94 174.10 2o6u s GLY 63 N -2.73 2.08 -0.13 6.27 0.00 -1.26 -1.29 107.32 110.25 2o6u s GLY 63 Ca 0.10 -0.58 -0.09 0.00 0.00 0.00 0.00 44.72 44.15 2o6u s GLY 63 CO 0.00 0.70 0.17 1.08 0.00 0.00 0.00 173.10 175.05 2o6u s LEU 64 N 1.17 4.34 -0.35 0.66 1.43 0.82 -4.89 118.68 121.87 2o6u s LEU 64 Ca 0.17 0.46 -0.26 0.00 -1.03 0.00 0.00 54.13 53.47 2o6u s LEU 64 Cb -0.14 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 43.95 2o6u s LEU 64 CO 0.07 0.32 0.93 -0.69 0.23 0.00 0.00 176.35 177.21 2o6u s VAL 65 N -0.59 4.61 -0.15 -1.59 1.01 -1.26 -0.93 120.40 121.50 2o6u s VAL 65 Ca 0.14 1.30 0.21 0.00 0.00 0.00 0.00 61.98 63.63 2o6u s VAL 65 Cb -0.12 -4.32 -0.14 0.00 0.00 0.00 0.00 36.38 31.80 2o6u s VAL 65 CO 0.03 -0.47 0.78 1.33 0.00 0.00 0.00 175.10 176.77 2o6u n VAL 66 N 5.87 0.66 -3.46 2.92 0.24 -0.34 -5.01 118.33 119.22 2o6u n VAL 66 Ca 0.07 -0.59 -0.12 0.00 -2.04 0.00 0.00 64.34 61.67 2o6u n VAL 66 Cb 0.48 -0.36 -0.02 0.00 -1.47 0.00 0.00 33.84 32.47 2o6u n VAL 66 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2o6u s SER 67 N -5.26 -0.54 0.19 -1.34 1.04 -1.25 -5.00 113.70 101.53 2o6u s SER 67 Ca -0.04 -0.05 -0.22 0.00 0.48 0.00 0.00 55.95 56.12 2o6u s SER 67 Cb 0.10 0.61 0.06 0.00 0.10 0.00 0.00 66.02 66.89 2o6u s SER 67 CO 0.83 -1.00 0.62 -0.94 0.98 0.00 0.00 173.24 173.73 2o6u s SER 68 N -2.76 -0.48 -0.12 7.02 1.04 -1.26 -1.36 113.70 115.78 2o6u s SER 68 Ca 0.02 -0.17 -0.29 0.00 0.48 0.00 0.00 55.95 55.99 2o6u s SER 68 Cb -0.01 0.63 0.08 0.00 0.10 0.00 0.00 66.02 66.81 2o6u s SER 68 CO -0.11 -1.06 0.76 -0.94 0.98 0.00 0.00 173.24 172.86 2o6u s SER 69 N -2.80 -0.62 0.02 7.02 1.04 -0.63 -4.99 113.70 112.75 2o6u s SER 69 Ca 0.04 0.83 -0.04 0.00 0.48 0.00 0.00 55.95 57.26 2o6u s SER 69 Cb -0.02 0.71 -0.01 0.00 0.10 0.00 0.00 66.02 66.80 2o6u s SER 69 CO -0.08 -0.47 0.05 0.00 0.98 0.00 0.00 173.24 173.72 2o6u s ASP 71 N -1.71 2.32 -0.10 0.00 1.01 -0.01 -4.99 116.67 113.19 2o6u s ASP 71 Ca -0.11 -0.40 0.04 0.00 0.71 0.00 0.00 52.55 52.79 2o6u s ASP 71 Cb -0.06 -0.24 0.00 0.00 1.01 0.00 0.00 42.92 43.63 2o6u s ASP 71 CO -0.02 0.21 -0.24 -0.31 0.21 0.00 0.00 175.17 175.03 2o6u s TYR 72 N -0.56 2.57 -0.09 4.23 1.51 -1.26 -1.57 117.35 122.19 2o6u s TYR 72 Ca 0.07 -1.06 -0.04 0.00 -1.01 0.00 0.00 57.07 55.03 2o6u s TYR 72 Cb -0.08 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 40.01 2o6u s TYR 72 CO -0.00 -0.43 -0.11 1.19 -1.11 0.00 0.00 175.55 175.09 2o6u n PHE 73 N 3.56 0.00 -3.88 2.71 3.72 0.28 -4.99 117.46 118.86 2o6u n PHE 73 Ca -0.19 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.09 2o6u n PHE 73 Cb 0.53 -0.32 -0.13 0.00 -0.94 0.00 0.00 39.48 38.61 2o6u n PHE 73 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2o6u s ALA 74 N -2.17 -0.02 0.81 4.37 0.00 -0.58 -5.05 121.76 119.13 2o6u s ALA 74 Ca -0.13 -0.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.67 2o6u s ALA 74 Cb 0.05 0.00 0.09 0.00 0.00 0.00 0.00 23.12 23.25 2o6u s ALA 74 CO 0.16 -0.03 1.18 -1.25 0.00 0.00 0.00 175.76 175.83 2o6u s PRO 75 N -0.20 1.89 0.08 0.00 0.04 -1.26 -4.63 135.00 130.91 2o6u s PRO 75 Ca -0.02 0.06 -0.03 0.00 0.04 0.00 0.00 61.00 61.05 2o6u s PRO 75 Cb -0.02 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 2o6u s PRO 75 CO -0.00 -1.63 0.04 0.08 0.04 0.00 0.00 177.00 175.53 2o6u s VAL 76 N -3.58 0.17 -0.03 -0.36 1.01 -1.26 -5.04 120.40 111.31 2o6u s VAL 76 Ca 0.63 -1.71 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 2o6u s VAL 76 Cb -0.11 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.64 2o6u s VAL 76 CO 0.49 -0.78 0.09 0.00 0.00 0.00 0.00 175.10 174.90 2o6u s ALA 77 N -3.94 -0.21 0.21 5.51 0.00 -1.26 0.21 121.76 122.27 2o6u s ALA 77 Ca 0.11 0.13 -0.31 0.00 0.00 0.00 0.00 51.96 51.90 2o6u s ALA 77 Cb 0.07 -0.09 -0.15 0.00 0.00 0.00 0.00 23.12 22.95 2o6u s ALA 77 CO -0.07 -0.08 1.00 0.34 0.00 0.00 0.00 175.76 176.95 2o6u n PHE 78 N 2.67 0.98 -1.35 0.00 7.35 -1.26 0.07 117.46 125.91 2o6u n PHE 78 Ca -0.15 0.75 -0.23 0.00 -0.76 0.00 0.00 57.45 57.06 2o6u n PHE 78 Cb 0.58 -2.21 0.15 0.00 0.35 0.00 0.00 39.48 38.35 2o6u n PHE 78 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2o6u n PRO 79 N 1.24 2.35 -1.05 -7.13 -0.04 -1.26 -4.97 135.00 124.14 2o6u n PRO 79 Ca 0.14 -3.19 -0.30 0.00 -0.04 0.00 0.00 63.50 60.10 2o6u n PRO 79 Cb 0.27 -2.14 0.14 0.00 -0.04 0.00 0.00 33.50 31.73 2o6u n PRO 79 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2o6u s GLN 80 N -3.44 1.27 -0.37 0.54 -0.21 0.11 -4.90 119.66 112.66 2o6u s GLN 80 Ca 0.56 1.06 -0.14 0.00 0.02 0.00 0.00 55.36 56.87 2o6u s GLN 80 Cb 0.47 -1.79 0.00 0.00 1.00 0.00 0.00 33.01 32.69 2o6u s GLN 80 CO 0.05 -2.30 0.26 1.03 -2.12 0.00 0.00 175.29 172.22 2o6u s ARG 81 N -4.82 3.22 0.14 2.91 0.52 -1.26 -4.22 118.95 115.44 2o6u s ARG 81 Ca 0.64 -0.84 0.07 0.00 -0.52 0.00 0.00 55.73 55.08 2o6u s ARG 81 Cb -0.19 -3.88 -0.04 0.00 0.52 0.00 0.00 34.95 31.36 2o6u s ARG 81 CO 0.58 -0.59 -0.04 0.42 0.02 0.00 0.00 175.30 175.68 2o6u s ILE 82 N 1.69 3.58 0.04 1.52 1.09 -1.25 -1.96 121.20 125.91 2o6u s ILE 82 Ca 0.05 -1.35 -0.12 0.00 -1.10 0.00 0.00 60.65 58.14 2o6u s ILE 82 Cb -0.18 -2.75 0.01 0.00 -1.06 0.00 0.00 42.46 38.48 2o6u s ILE 82 CO 0.10 -0.01 0.26 -1.83 -0.10 0.00 0.00 174.94 173.36 2o6u s GLU 83 N -2.61 0.75 -0.21 2.79 -1.05 0.21 -2.67 118.70 115.90 2o6u s GLU 83 Ca 0.25 -0.54 -0.05 0.00 -0.15 0.00 0.00 54.97 54.47 2o6u s GLU 83 Cb -0.10 0.32 -0.02 0.00 -0.44 0.00 0.00 34.13 33.89 2o6u s GLU 83 CO 0.17 -0.23 0.01 -1.64 0.95 0.00 0.00 175.26 174.51 2o6u s MET 84 N -2.49 3.60 0.16 -4.83 -1.94 0.34 0.16 119.30 114.30 2o6u s MET 84 Ca -0.05 -0.52 -0.24 0.00 -1.71 0.00 0.00 55.69 53.16 2o6u s MET 84 Cb -0.01 -3.10 -0.08 0.00 2.01 0.00 0.00 34.83 33.64 2o6u s MET 84 CO -0.03 -0.03 0.74 0.20 -0.01 0.00 0.00 175.02 175.88 2o6u s GLY 85 N 1.13 2.85 -0.03 -0.03 0.00 0.10 -1.59 107.32 109.75 2o6u s GLY 85 Ca 0.03 0.29 0.02 0.00 0.00 0.00 0.00 44.72 45.05 2o6u s GLY 85 CO 0.01 0.77 -0.07 -2.27 0.00 0.00 0.00 173.10 171.54 2o6u s LEU 86 N -1.23 1.68 0.08 0.66 2.96 0.30 -1.33 118.68 121.80 2o6u s LEU 86 Ca 0.35 -0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 54.04 2o6u s LEU 86 Cb -0.22 -0.46 -0.01 0.00 0.50 0.00 0.00 46.19 46.00 2o6u s LEU 86 CO 0.24 0.03 0.15 0.00 -1.32 0.00 0.00 176.35 175.45 2o6u s ARG 87 N 0.36 0.80 -0.16 1.98 1.70 -0.14 -1.73 118.95 121.77 2o6u s ARG 87 Ca -0.05 -1.01 -0.04 0.00 -0.47 0.00 0.00 55.73 54.16 2o6u s ARG 87 Cb -0.09 0.32 -0.03 0.00 -0.57 0.00 0.00 34.95 34.58 2o6u s ARG 87 CO 0.00 -0.24 -0.03 0.08 -1.08 0.00 0.00 175.30 174.03 2o6u s VAL 88 N -3.87 3.93 -0.17 4.99 1.01 -0.92 -0.15 120.40 125.22 2o6u s VAL 88 Ca 0.05 -0.34 -0.15 0.00 0.00 0.00 0.00 61.98 61.55 2o6u s VAL 88 Cb 0.05 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 2o6u s VAL 88 CO -0.11 0.49 -0.27 0.00 0.00 0.00 0.00 175.10 175.21 2o6u n ALA 89 N 3.53 0.73 -2.44 5.51 0.00 0.11 -4.12 120.51 123.83 2o6u n ALA 89 Ca -0.17 -0.67 -0.24 0.00 0.00 0.00 0.00 53.44 52.36 2o6u n ALA 89 Cb 0.52 0.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.88 2o6u n ALA 89 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2o6u s ARG 90 N -2.63 1.53 -0.44 0.00 3.03 -1.24 -5.00 118.95 114.19 2o6u s ARG 90 Ca -0.24 -1.62 0.05 0.00 2.03 0.00 0.00 55.73 55.95 2o6u s ARG 90 Cb 0.04 -1.64 0.18 0.00 -1.03 0.00 0.00 34.95 32.50 2o6u s ARG 90 CO 0.36 0.32 0.46 -1.17 -1.13 0.00 0.00 175.30 174.14 2o6u s LEU 91 N -3.12 0.47 0.00 -1.89 2.96 -1.26 -2.13 118.68 113.71 2o6u s LEU 91 Ca 0.24 -2.62 0.00 0.00 -0.22 0.00 0.00 54.13 51.53 2o6u s LEU 91 Cb -0.05 0.32 0.00 0.00 0.50 0.00 0.00 46.19 46.96 2o6u s LEU 91 CO 0.11 -0.13 0.00 0.61 -1.32 0.00 0.00 176.35 175.62 2o6u n GLY 92 N 2.90 -2.19 0.06 7.98 0.00 -1.13 -5.00 105.19 107.82 2o6u n GLY 92 Ca 0.26 -1.29 -0.03 0.00 0.00 0.00 0.00 46.02 44.96 2o6u n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2o6u n ASN 93 N 0.00 1.08 -0.22 1.61 6.94 -1.26 -4.33 115.26 119.08 2o6u n ASN 93 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 54.58 54.60 2o6u n ASN 93 Cb 0.00 1.15 0.08 0.00 -2.36 0.00 0.00 39.78 38.65 2o6u n ASN 93 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2o6u n SER 94 N -2.45 2.42 -4.11 0.53 3.41 -1.25 -0.86 113.62 111.31 2o6u n SER 94 Ca -0.19 -2.32 -0.12 0.00 -0.26 0.00 0.00 58.87 55.97 2o6u n SER 94 Cb 0.85 -0.19 -0.11 0.00 -0.26 0.00 0.00 64.21 64.51 2o6u n SER 94 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2o6u s SER 95 N -1.48 1.02 0.05 4.04 0.15 -1.26 -0.72 113.70 115.50 2o6u s SER 95 Ca 0.15 -0.75 -0.22 0.00 0.70 0.00 0.00 55.95 55.83 2o6u s SER 95 Cb 0.11 0.06 0.05 0.00 -1.71 0.00 0.00 66.02 64.53 2o6u s SER 95 CO 0.05 -0.31 0.53 0.54 1.20 0.00 0.00 173.24 175.24 2o6u s VAL 96 N -2.35 0.03 -0.16 4.45 0.11 -0.00 -2.83 120.40 119.65 2o6u s VAL 96 Ca -0.00 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 58.82 2o6u s VAL 96 Cb -0.03 -0.98 0.03 0.00 -1.53 0.00 0.00 36.38 33.86 2o6u s VAL 96 CO -0.02 -0.13 -0.13 -1.58 -3.33 0.00 0.00 175.10 169.92 2o6u s GLN 97 N -2.55 2.18 -0.00 1.54 0.74 -0.90 -1.59 119.66 119.07 2o6u s GLN 97 Ca -0.05 -0.63 -0.02 0.00 0.05 0.00 0.00 55.36 54.71 2o6u s GLN 97 Cb -0.01 -2.18 -0.04 0.00 1.10 0.00 0.00 33.01 31.89 2o6u s GLN 97 CO -0.02 -0.30 0.16 0.71 -0.55 0.00 0.00 175.29 175.29 2o6u s TYR 98 N 1.47 3.49 -0.11 1.67 1.51 0.58 -0.71 117.35 125.26 2o6u s TYR 98 Ca 0.03 0.32 0.04 0.00 -1.01 0.00 0.00 57.07 56.45 2o6u s TYR 98 Cb -0.14 -1.80 0.00 0.00 -0.11 0.00 0.00 41.96 39.91 2o6u s TYR 98 CO -0.10 0.63 -0.23 -1.21 -1.11 0.00 0.00 175.55 173.53 2o6u s GLU 99 N -1.95 2.95 0.06 -0.62 2.02 0.78 -1.39 118.70 120.56 2o6u s GLU 99 Ca 0.27 -0.84 0.07 0.00 0.02 0.00 0.00 54.97 54.48 2o6u s GLU 99 Cb -0.13 -2.26 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 2o6u s GLU 99 CO 0.19 0.13 -0.18 -0.51 0.02 0.00 0.00 175.26 174.91 2o6u s LEU 100 N 0.46 2.22 -0.08 1.80 2.01 0.14 -0.96 118.68 124.27 2o6u s LEU 100 Ca -0.16 -0.57 -0.06 0.00 0.01 0.00 0.00 54.13 53.35 2o6u s LEU 100 Cb -0.17 -0.77 0.03 0.00 0.01 0.00 0.00 46.19 45.29 2o6u s LEU 100 CO 0.07 0.06 0.20 0.00 1.01 0.00 0.00 176.35 177.68 2o6u s ALA 101 N -1.00 -0.46 -0.21 4.21 0.00 -0.44 -0.44 121.76 123.43 2o6u s ALA 101 Ca 0.04 0.69 -0.16 0.00 0.00 0.00 0.00 51.96 52.53 2o6u s ALA 101 Cb -0.09 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 2o6u s ALA 101 CO 0.02 -0.13 0.42 -1.17 0.00 0.00 0.00 175.76 174.90 2o6u s LEU 102 N 0.59 4.14 -0.06 0.00 2.96 -0.10 0.01 118.68 126.22 2o6u s LEU 102 Ca -0.04 0.53 0.04 0.00 -0.22 0.00 0.00 54.13 54.44 2o6u s LEU 102 Cb -0.05 -2.55 -0.02 0.00 0.50 0.00 0.00 46.19 44.07 2o6u s LEU 102 CO -0.03 -0.10 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.36 2o6u s PHE 103 N 1.43 2.63 0.16 5.38 0.40 0.12 0.41 117.98 128.52 2o6u s PHE 103 Ca 0.20 -0.40 -0.27 0.00 -0.60 0.00 0.00 56.93 55.85 2o6u s PHE 103 Cb -0.15 -1.65 -0.08 0.00 0.51 0.00 0.00 43.02 41.65 2o6u s PHE 103 CO 0.08 -0.00 0.85 -1.17 0.70 0.00 0.00 175.22 175.68 2o6u s LEU 104 N -0.38 4.58 0.27 -0.37 2.96 -1.26 0.64 118.68 125.12 2o6u s LEU 104 Ca 0.04 1.73 -0.29 0.00 -0.22 0.00 0.00 54.13 55.38 2o6u s LEU 104 Cb -0.12 -3.42 -0.09 0.00 0.50 0.00 0.00 46.19 43.05 2o6u s LEU 104 CO 0.02 0.13 1.18 -1.61 -1.32 0.00 0.00 176.35 174.75 2o6u s GLU 105 N -0.84 4.53 -0.55 1.98 2.02 -0.83 -1.37 118.70 123.65 2o6u s GLU 105 Ca 0.39 1.93 -0.16 0.00 0.02 0.00 0.00 54.97 57.15 2o6u s GLU 105 Cb -0.24 -3.17 0.13 0.00 0.10 0.00 0.00 34.13 30.95 2o6u s GLU 105 CO 0.28 0.04 0.53 0.20 0.02 0.00 0.00 175.26 176.33 2o6u s GLY 106 N -0.54 2.05 0.11 -1.39 0.00 -1.26 -4.98 107.32 101.31 2o6u s GLY 106 Ca 0.48 -2.50 0.10 0.00 0.00 0.00 0.00 44.72 42.80 2o6u s GLY 106 CO 0.43 1.26 -0.26 1.20 0.00 0.00 0.00 173.10 175.73 2o6u s GLN 107 N 1.75 1.44 0.14 2.90 -0.21 -0.47 -5.04 119.66 120.15 2o6u s GLN 107 Ca 0.04 -1.29 0.10 0.00 0.02 0.00 0.00 55.36 54.24 2o6u s GLN 107 Cb -0.29 -1.86 -0.14 0.00 1.00 0.00 0.00 33.01 31.72 2o6u s GLN 107 CO 0.03 0.45 1.22 0.00 -2.12 0.00 0.00 175.29 174.87 2o6u h ARG 108 N 4.05 0.00 -6.29 2.91 3.08 -1.97 -3.44 114.38 112.71 2o6u h ARG 108 Ca -0.50 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.01 2o6u h ARG 108 Cb 1.17 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.18 2o6u h ARG 108 CO 0.40 0.77 0.15 -1.21 -1.07 0.00 0.00 179.97 179.01 2o6u s GLU 109 N -2.77 4.49 0.24 0.04 2.02 -1.26 -2.50 118.70 118.96 2o6u s GLU 109 Ca 0.01 1.05 -0.30 0.00 0.02 0.00 0.00 54.97 55.75 2o6u s GLU 109 Cb 0.09 -3.36 -0.10 0.00 0.10 0.00 0.00 34.13 30.87 2o6u s GLU 109 CO 0.80 0.30 1.35 0.00 0.02 0.00 0.00 175.26 177.73 2o6u s ALA 110 N -0.10 3.55 0.14 5.21 0.00 -0.69 -4.60 121.76 125.27 2o6u s ALA 110 Ca 0.38 1.21 -0.02 0.00 0.00 0.00 0.00 51.96 53.53 2o6u s ALA 110 Cb -0.20 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.34 2o6u s ALA 110 CO 0.23 -0.62 1.32 0.00 0.00 0.00 0.00 175.76 176.69 2o6u s ALA 112 N -3.22 -1.11 -0.06 0.00 0.00 -1.23 -0.55 121.76 115.58 2o6u s ALA 112 Ca -0.05 0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.92 2o6u s ALA 112 Cb 0.09 0.78 0.02 0.00 0.00 0.00 0.00 23.12 24.01 2o6u s ALA 112 CO 0.86 -0.71 0.16 0.00 0.00 0.00 0.00 175.76 176.07 2o6u s ALA 113 N -3.80 -0.40 0.29 0.00 0.00 -0.61 -0.92 121.76 116.31 2o6u s ALA 113 Ca 0.04 0.45 -0.11 0.00 0.00 0.00 0.00 51.96 52.34 2o6u s ALA 113 Cb 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.87 2o6u s ALA 113 CO -0.10 -0.08 0.54 0.20 0.00 0.00 0.00 175.76 176.32 2o6u s GLY 114 N 0.06 0.69 0.05 0.00 0.00 0.42 -0.83 107.32 107.71 2o6u s GLY 114 Ca -0.00 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 43.79 2o6u s GLY 114 CO 0.00 -0.62 -0.11 0.50 0.00 0.00 0.00 173.10 172.87 2o6u s ARG 115 N -3.53 0.69 0.14 2.90 0.52 -0.57 0.27 118.95 119.36 2o6u s ARG 115 Ca 0.22 -0.83 -0.16 0.00 -0.52 0.00 0.00 55.73 54.44 2o6u s ARG 115 Cb -0.02 -0.59 0.03 0.00 0.52 0.00 0.00 34.95 34.90 2o6u s ARG 115 CO 0.12 0.13 0.42 -0.59 0.02 0.00 0.00 175.30 175.40 2o6u s PHE 116 N -1.25 -0.19 -0.16 -0.53 -0.12 -0.48 -1.60 117.98 113.64 2o6u s PHE 116 Ca -0.05 -0.12 0.02 0.00 -0.05 0.00 0.00 56.93 56.72 2o6u s PHE 116 Cb -0.10 0.28 0.02 0.00 -0.63 0.00 0.00 43.02 42.59 2o6u s PHE 116 CO 0.01 -0.73 -0.20 0.08 -0.05 0.00 0.00 175.22 174.33 2o6u s VAL 117 N -3.81 2.00 0.03 -2.49 1.01 -0.46 -0.30 120.40 116.38 2o6u s VAL 117 Ca 0.04 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 60.97 2o6u s VAL 117 Cb 0.01 -1.80 -0.06 0.00 0.00 0.00 0.00 36.38 34.54 2o6u s VAL 117 CO -0.11 0.53 0.41 -1.00 0.00 0.00 0.00 175.10 174.94 2o6u s HIS 118 N 1.10 3.67 -0.09 5.22 3.76 -0.62 -1.20 115.29 127.13 2o6u s HIS 118 Ca -0.00 0.92 0.02 0.00 -0.15 0.00 0.00 55.06 55.85 2o6u s HIS 118 Cb -0.14 -2.24 0.01 0.00 1.11 0.00 0.00 32.58 31.32 2o6u s HIS 118 CO -0.08 0.59 -0.14 0.08 -0.85 0.00 0.00 174.74 174.34 2o6u s VAL 119 N -1.21 1.34 -0.04 -0.90 1.01 -0.11 -0.82 120.40 119.68 2o6u s VAL 119 Ca 0.27 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 2o6u s VAL 119 Cb -0.16 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 2o6u s VAL 119 CO 0.15 0.41 0.46 -0.36 0.00 0.00 0.00 175.10 175.76 2o6u s PHE 120 N 0.81 3.66 0.18 5.22 0.40 0.10 -0.13 117.98 128.22 2o6u s PHE 120 Ca -0.11 1.00 0.02 0.00 -0.60 0.00 0.00 56.93 57.24 2o6u s PHE 120 Cb -0.15 -2.43 -0.05 0.00 0.51 0.00 0.00 43.02 40.90 2o6u s PHE 120 CO 0.02 0.45 0.00 0.14 0.70 0.00 0.00 175.22 176.52 2o6u s VAL 121 N -0.40 0.75 0.12 -0.44 -7.23 -0.41 -2.00 120.40 110.79 2o6u s VAL 121 Ca 0.25 -1.99 -0.31 0.00 -1.81 0.00 0.00 61.98 58.12 2o6u s VAL 121 Cb -0.16 -2.16 -0.07 0.00 0.56 0.00 0.00 36.38 34.54 2o6u s VAL 121 CO 0.13 -0.44 1.28 -0.70 -0.31 0.00 0.00 175.10 175.05 2o6u s GLU 122 N -3.90 4.40 0.11 4.82 -6.30 -0.72 -1.63 118.70 115.48 2o6u s GLU 122 Ca 0.25 1.93 -0.30 0.00 -2.50 0.00 0.00 54.97 54.35 2o6u s GLU 122 Cb 0.06 -3.27 -0.09 0.00 0.00 0.00 0.00 34.13 30.83 2o6u s GLU 122 CO 0.05 -0.28 1.60 -0.09 0.02 0.00 0.00 175.26 176.56 2o6u h ARG 123 N 6.28 -0.59 0.91 4.30 2.43 0.50 0.55 114.38 128.77 2o6u h ARG 123 Ca -0.43 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 58.74 2o6u h ARG 123 Cb 1.21 0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.90 2o6u h ARG 123 CO 0.81 -0.39 -0.44 0.00 -1.51 0.00 0.00 179.97 178.44 2o6u h ARG 124 N -0.61 -1.18 0.00 0.20 -0.00 -1.93 -3.24 114.38 107.62 2o6u h ARG 124 Ca 0.03 0.08 0.00 0.00 -0.50 0.00 0.00 59.98 59.59 2o6u h ARG 124 Cb 0.65 0.27 0.00 0.00 0.00 0.00 0.00 29.97 30.89 2o6u h ARG 124 CO -0.24 -0.78 0.00 -1.13 0.00 0.00 0.00 179.97 177.82 2o6u n SER 125 N -5.60 0.39 -2.84 7.04 3.41 -1.22 -4.94 113.62 109.86 2o6u n SER 125 Ca -0.16 0.55 -0.12 0.00 -0.26 0.00 0.00 58.87 58.88 2o6u n SER 125 Cb 0.49 -0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 63.76 2o6u n SER 125 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2o6u n SER 126 N -1.88 -1.09 -4.85 4.04 3.41 0.19 -4.91 113.62 108.53 2o6u n SER 126 Ca 0.06 -0.07 -0.38 0.00 -0.26 0.00 0.00 58.87 58.22 2o6u n SER 126 Cb 0.34 -1.03 -0.06 0.00 -0.26 0.00 0.00 64.21 63.21 2o6u n SER 126 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2o6u s ARG 127 N -4.97 3.80 0.80 4.33 3.00 -1.26 -4.77 118.95 119.89 2o6u s ARG 127 Ca 0.24 0.28 -0.14 0.00 0.00 0.00 0.00 55.73 56.11 2o6u s ARG 127 Cb -0.14 -3.21 0.06 0.00 0.00 0.00 0.00 34.95 31.66 2o6u s ARG 127 CO 0.29 0.71 1.08 -2.30 0.00 0.00 0.00 175.30 175.08 2o6u n PRO 128 N 1.87 0.21 -4.00 3.54 -0.02 -1.26 -1.75 135.00 133.59 2o6u n PRO 128 Ca -0.15 0.14 -0.08 0.00 -2.02 0.00 0.00 63.50 61.38 2o6u n PRO 128 Cb 0.53 -2.33 -0.09 0.00 -0.02 0.00 0.00 33.50 31.59 2o6u n PRO 128 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2o6u s VAL 129 N -2.08 0.15 0.43 -1.45 -7.23 -0.85 -4.77 120.40 104.61 2o6u s VAL 129 Ca 0.72 -1.55 -0.26 0.00 -1.81 0.00 0.00 61.98 59.08 2o6u s VAL 129 Cb -0.30 -1.60 -0.09 0.00 0.56 0.00 0.00 36.38 34.95 2o6u s VAL 129 CO 0.52 -0.68 1.42 0.00 -0.31 0.00 0.00 175.10 176.05 2o6u n ALA 130 N -0.03 2.00 -2.18 1.32 0.00 -1.26 -3.87 120.51 116.49 2o6u n ALA 130 Ca -0.12 0.27 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 2o6u n ALA 130 Cb 0.62 -2.38 -0.02 0.00 0.00 0.00 0.00 19.45 17.67 2o6u n ALA 130 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2o6u s ILE 131 N -1.17 3.87 0.32 0.00 1.01 -0.04 -4.94 121.20 120.25 2o6u s ILE 131 Ca 0.59 1.05 -0.26 0.00 0.00 0.00 0.00 60.65 62.03 2o6u s ILE 131 Cb -0.47 -3.69 -0.14 0.00 0.01 0.00 0.00 42.46 38.18 2o6u s ILE 131 CO 0.59 -0.10 0.80 -2.65 0.00 0.00 0.00 174.94 173.58 2o6u n PRO 132 N 6.94 0.91 -0.34 2.79 -0.02 -1.26 -4.50 135.00 139.52 2o6u n PRO 132 Ca 0.16 0.32 0.08 0.00 -2.02 0.00 0.00 63.50 62.04 2o6u n PRO 132 Cb 0.44 -1.62 0.25 0.00 -0.02 0.00 0.00 33.50 32.54 2o6u n PRO 132 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2o6u h GLN 133 N 1.46 0.82 -0.02 -0.52 5.75 -1.98 -1.21 115.11 119.42 2o6u h GLN 133 Ca -0.38 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.10 2o6u h GLN 133 Cb 1.37 -0.19 -0.05 0.00 1.07 0.00 0.00 27.48 29.69 2o6u h GLN 133 CO 0.57 0.55 -0.26 0.93 -2.65 0.00 0.00 178.83 177.97 2o6u h GLU 134 N 0.85 -0.38 0.68 1.69 5.08 -1.89 0.20 114.58 120.81 2o6u h GLU 134 Ca 0.50 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.86 2o6u h GLU 134 Cb 0.61 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 2o6u h GLU 134 CO -0.31 -0.25 -0.43 -0.07 -1.00 0.00 0.00 179.01 176.95 2o6u h LEU 135 N -0.39 -1.08 -1.40 1.33 4.07 -1.26 -0.91 115.31 115.67 2o6u h LEU 135 Ca 0.07 0.06 0.10 0.00 0.08 0.00 0.00 57.88 58.19 2o6u h LEU 135 Cb 0.49 0.32 -0.05 0.00 1.08 0.00 0.00 40.66 42.49 2o6u h LEU 135 CO -0.24 -0.66 0.50 -0.09 -1.08 0.00 0.00 178.44 176.87 2o6u h ARG 136 N -1.05 0.65 0.35 1.13 2.43 -1.09 0.49 114.38 117.30 2o6u h ARG 136 Ca -0.09 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 2o6u h ARG 136 Cb 0.85 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2o6u h ARG 136 CO 0.09 0.43 -0.17 -0.44 -1.51 0.00 0.00 179.97 178.36 2o6u h ASP 137 N 0.67 -0.40 -0.48 -3.80 5.19 -0.35 -0.80 116.42 116.44 2o6u h ASP 137 Ca 0.35 -0.07 0.10 0.00 -0.62 0.00 0.00 57.03 56.79 2o6u h ASP 137 Cb 0.47 0.10 -0.09 0.00 0.18 0.00 0.00 39.33 39.99 2o6u h ASP 137 CO -0.13 -0.18 -0.09 0.00 -3.12 0.00 0.00 179.24 175.72 2o6u h ALA 138 N -0.01 0.36 0.62 3.45 0.00 0.24 -1.04 119.26 122.88 2o6u h ALA 138 Ca -0.05 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2o6u h ALA 138 Cb 0.44 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2o6u h ALA 138 CO 0.08 -0.43 -0.43 -0.07 0.00 0.00 0.00 179.25 178.40 2o6u h LEU 139 N 0.03 -1.11 -1.47 0.00 3.38 -0.04 -2.84 115.31 113.26 2o6u h LEU 139 Ca 0.24 0.07 0.20 0.00 0.09 0.00 0.00 57.88 58.48 2o6u h LEU 139 Cb 0.36 0.34 -0.07 0.00 0.09 0.00 0.00 40.66 41.38 2o6u h LEU 139 CO -0.47 -0.64 0.60 0.00 0.09 0.00 0.00 178.44 178.01 2o6u h ALA 140 N -0.78 2.16 -0.79 1.53 0.00 -0.81 0.35 119.26 120.91 2o6u h ALA 140 Ca -0.08 0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.08 2o6u h ALA 140 Cb 0.83 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2o6u h ALA 140 CO 0.05 -0.45 0.70 0.00 0.00 0.00 0.00 179.25 179.54 2o6u h ALA 141 N 1.61 2.63 -0.02 0.00 0.00 -0.94 -0.70 119.26 121.83 2o6u h ALA 141 Ca 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2o6u h ALA 141 Cb 1.14 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2o6u h ALA 141 CO -0.19 -1.10 -0.05 1.28 0.00 0.00 0.00 179.25 179.18 2o6u n LEU 142 N -3.86 2.51 -4.74 0.00 4.77 0.12 -4.93 117.00 110.88 2o6u n LEU 142 Ca 0.16 -0.84 -0.42 0.00 -0.03 0.00 0.00 56.01 54.89 2o6u n LEU 142 Cb 0.97 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.03 2o6u n LEU 142 CO 0.32 0.42 1.08 -1.10 -1.33 0.00 0.00 177.39 176.79 2o6u s GLN 143 N -2.06 4.30 0.00 3.23 -1.52 -0.27 -2.17 119.66 121.17 2o6u s GLN 143 Ca 0.29 2.21 0.16 0.00 -1.95 0.00 0.00 55.36 56.07 2o6u s GLN 143 Cb 0.20 -3.16 0.96 0.00 -0.22 0.00 0.00 33.01 30.79 2o6u s GLN 143 CO 0.34 -0.40 1.37 -1.13 -0.25 0.00 0.00 175.29 175.22