#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qu8 s PRO 23 N 0.00 3.56 -1.48 1.96 0.04 -1.26 -4.31 135.00 133.51 2qu8 s PRO 23 Ca 0.00 0.89 -0.00 0.00 0.04 0.00 0.00 61.00 61.93 2qu8 s PRO 23 Cb 0.00 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.51 2qu8 s PRO 23 CO 0.00 -1.59 0.19 -1.13 0.04 0.00 0.00 177.00 174.52 2qu8 n SER 24 N 8.84 0.37 -4.41 6.66 3.41 -1.26 -4.96 113.62 122.27 2qu8 n SER 24 Ca 0.16 -1.16 -0.33 0.00 -0.26 0.00 0.00 58.87 57.28 2qu8 n SER 24 Cb 0.48 -2.26 -0.14 0.00 -0.26 0.00 0.00 64.21 62.04 2qu8 n SER 24 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2qu8 s ILE 25 N -4.19 3.26 -0.36 -1.33 1.01 -1.26 -5.09 121.20 113.24 2qu8 s ILE 25 Ca 0.00 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 59.77 2qu8 s ILE 25 Cb -0.00 -2.38 0.02 0.00 0.01 0.00 0.00 42.46 40.11 2qu8 s ILE 25 CO 0.95 0.52 1.14 0.21 0.00 0.00 0.00 174.94 177.76 2qu8 s ASN 26 N 0.26 6.79 0.12 3.58 3.84 -1.26 -4.83 114.94 123.43 2qu8 s ASN 26 Ca -0.08 0.92 0.22 0.00 0.21 0.00 0.00 52.86 54.13 2qu8 s ASN 26 Cb -0.15 -2.54 0.87 0.00 -0.55 0.00 0.00 41.25 38.88 2qu8 s ASN 26 CO 0.05 -1.03 1.67 -0.81 -2.79 0.00 0.00 177.10 174.19 2qu8 n PRO 27 N 7.25 0.10 0.03 0.43 -0.04 -1.26 -3.28 135.00 138.23 2qu8 n PRO 27 Ca 0.13 0.26 0.08 0.00 -0.04 0.00 0.00 63.50 63.92 2qu8 n PRO 27 Cb 0.48 -1.67 -0.10 0.00 -0.04 0.00 0.00 33.50 32.17 2qu8 n PRO 27 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2qu8 n HIS 28 N -1.86 0.47 -2.23 0.54 8.25 -1.26 -1.47 115.22 117.66 2qu8 n HIS 28 Ca 0.04 0.14 -0.41 0.00 -0.26 0.00 0.00 57.72 57.23 2qu8 n HIS 28 Cb 0.26 -0.77 -0.03 0.00 1.12 0.00 0.00 29.99 30.57 2qu8 n HIS 28 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2qu8 s LYS 29 N -3.31 4.42 0.06 -0.41 2.20 -1.20 -4.80 119.74 116.70 2qu8 s LYS 29 Ca -0.05 2.07 -0.35 0.00 -0.36 0.00 0.00 55.97 57.28 2qu8 s LYS 29 Cb 0.11 -3.14 -0.14 0.00 -1.51 0.00 0.00 37.83 33.14 2qu8 s LYS 29 CO 0.85 -0.14 1.58 1.63 -0.36 0.00 0.00 175.35 178.91 2qu8 n LYS 30 N 1.64 1.82 -4.27 4.03 5.02 -1.26 -4.46 118.16 120.67 2qu8 n LYS 30 Ca 0.02 0.66 -0.19 0.00 -2.02 0.00 0.00 58.31 56.79 2qu8 n LYS 30 Cb 0.43 -2.40 -0.15 0.00 -0.02 0.00 0.00 35.03 32.88 2qu8 n LYS 30 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2qu8 s THR 31 N 1.54 0.60 -0.25 -0.18 2.01 -0.43 -1.10 115.64 117.83 2qu8 s THR 31 Ca 0.84 -0.27 -0.15 0.00 0.31 0.00 0.00 61.69 62.42 2qu8 s THR 31 Cb -0.78 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 2qu8 s THR 31 CO 0.45 0.19 0.38 -0.63 -0.69 0.00 0.00 174.62 174.32 2qu8 s ILE 32 N 0.18 5.18 -0.38 1.82 1.01 -0.00 -0.98 121.20 128.03 2qu8 s ILE 32 Ca -0.02 0.61 -0.16 0.00 0.00 0.00 0.00 60.65 61.08 2qu8 s ILE 32 Cb -0.07 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.70 2qu8 s ILE 32 CO 0.00 0.19 0.38 -0.63 0.00 0.00 0.00 174.94 174.88 2qu8 s ILE 33 N 1.83 5.15 0.13 2.92 1.01 0.07 -0.79 121.20 131.52 2qu8 s ILE 33 Ca 0.16 -0.15 -0.28 0.00 0.00 0.00 0.00 60.65 60.38 2qu8 s ILE 33 Cb -0.15 -3.90 -0.07 0.00 0.01 0.00 0.00 42.46 38.34 2qu8 s ILE 33 CO 0.09 -0.22 0.86 -0.76 0.00 0.00 0.00 174.94 174.91 2qu8 s LEU 34 N 2.03 4.53 0.09 2.97 1.43 0.19 -0.48 118.68 129.44 2qu8 s LEU 34 Ca 0.11 1.69 -0.08 0.00 -1.03 0.00 0.00 54.13 54.82 2qu8 s LEU 34 Cb -0.17 -3.43 -0.01 0.00 0.03 0.00 0.00 46.19 42.62 2qu8 s LEU 34 CO 0.12 0.06 0.17 -0.55 0.23 0.00 0.00 176.35 176.38 2qu8 s SER 35 N -0.47 0.16 0.00 2.29 0.15 -0.13 -4.51 113.70 111.20 2qu8 s SER 35 Ca 0.41 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 56.36 2qu8 s SER 35 Cb -0.23 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 2qu8 s SER 35 CO 0.27 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.60 2qu8 n GLY 36 N -0.05 4.35 3.63 9.45 0.00 -0.86 -0.57 105.19 121.15 2qu8 n GLY 36 Ca -0.15 -1.52 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 2qu8 n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qu8 n ALA 37 N -1.94 -1.10 -1.71 4.61 0.00 -1.26 -3.99 120.51 115.11 2qu8 n ALA 37 Ca 0.00 -0.57 -0.42 0.00 0.00 0.00 0.00 53.44 52.44 2qu8 n ALA 37 Cb 0.00 -2.14 -0.01 0.00 0.00 0.00 0.00 19.45 17.31 2qu8 n ALA 37 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2qu8 n PRO 38 N -3.88 2.18 -1.56 0.00 -0.02 -1.26 -3.20 135.00 127.27 2qu8 n PRO 38 Ca 0.11 0.77 -0.08 0.00 -2.02 0.00 0.00 63.50 62.27 2qu8 n PRO 38 Cb 0.52 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 2qu8 n PRO 38 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qu8 n ASN 39 N 0.78 -3.62 0.02 2.55 4.13 -1.26 -4.80 115.26 113.05 2qu8 n ASN 39 Ca 0.05 0.13 0.12 0.00 1.68 0.00 0.00 54.58 56.55 2qu8 n ASN 39 Cb 0.36 -2.22 0.21 0.00 -1.54 0.00 0.00 39.78 36.59 2qu8 n ASN 39 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 2qu8 n VAL 40 N -3.20 0.09 0.00 2.41 0.24 -1.19 -4.29 118.33 112.39 2qu8 n VAL 40 Ca -0.09 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 2qu8 n VAL 40 Cb 0.38 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 2qu8 n VAL 40 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qu8 n GLY 41 N 1.45 1.59 0.17 7.63 0.00 -1.26 -4.54 105.19 110.23 2qu8 n GLY 41 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 2qu8 n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qu8 h LYS 42 N 0.00 -0.33 -0.51 1.61 1.57 -1.92 -0.90 116.57 116.09 2qu8 h LYS 42 Ca 0.00 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2qu8 h LYS 42 Cb 0.00 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2qu8 h LYS 42 CO 0.00 -0.05 0.14 0.66 -0.57 0.00 0.00 179.45 179.64 2qu8 h SER 43 N -0.60 0.70 -0.36 0.86 4.64 -1.99 -1.36 113.55 115.44 2qu8 h SER 43 Ca -0.03 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2qu8 h SER 43 Cb 0.44 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 2qu8 h SER 43 CO 0.06 0.68 0.24 0.28 -0.87 0.00 0.00 176.83 177.22 2qu8 h SER 44 N 0.74 0.41 -0.20 4.97 0.02 -1.96 -1.29 113.55 116.24 2qu8 h SER 44 Ca 0.17 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2qu8 h SER 44 Cb 0.25 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2qu8 h SER 44 CO -0.01 0.30 0.11 0.15 -1.14 0.00 0.00 176.83 176.25 2qu8 h PHE 45 N 0.49 0.27 -0.21 3.45 3.57 -0.62 -1.52 116.94 122.38 2qu8 h PHE 45 Ca 0.13 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.67 2qu8 h PHE 45 Cb -0.05 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 2qu8 h PHE 45 CO -0.05 0.24 -0.06 1.98 -2.23 0.00 0.00 178.31 178.19 2qu8 h MET 46 N 0.22 -0.01 -0.72 1.11 4.05 -1.14 -2.42 114.93 116.02 2qu8 h MET 46 Ca 0.07 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.49 2qu8 h MET 46 Cb 0.06 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.83 2qu8 h MET 46 CO -0.01 -0.00 0.45 -0.91 0.23 0.00 0.00 176.91 176.66 2qu8 h ASN 47 N -0.01 0.86 0.52 1.39 -0.26 -0.98 -2.05 115.58 115.06 2qu8 h ASN 47 Ca 0.10 -0.05 -0.03 0.00 -0.56 0.00 0.00 56.30 55.77 2qu8 h ASN 47 Cb 0.16 -0.22 0.01 0.00 -1.06 0.00 0.00 38.32 37.21 2qu8 h ASN 47 CO -0.22 0.66 -0.25 0.40 -1.06 0.00 0.00 177.43 176.95 2qu8 h ILE 48 N 0.99 0.49 0.00 2.81 2.04 -1.12 0.03 117.51 122.74 2qu8 h ILE 48 Ca 0.26 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 66.04 2qu8 h ILE 48 Cb -0.05 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 2qu8 h ILE 48 CO -0.05 0.00 -0.32 -0.37 0.00 0.00 0.00 178.15 177.41 2qu8 h VAL 49 N -0.71 0.77 -0.21 1.67 -1.51 -1.41 -2.74 116.25 112.12 2qu8 h VAL 49 Ca -0.07 -1.38 0.00 0.00 -1.23 0.00 0.00 66.70 64.02 2qu8 h VAL 49 Cb 0.54 1.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 2qu8 h VAL 49 CO 0.12 0.32 0.00 -1.54 -1.23 0.00 0.00 177.57 175.23 2qu8 n SER 50 N -3.49 2.79 -4.11 4.19 3.41 -0.77 -4.75 113.62 110.89 2qu8 n SER 50 Ca -0.00 -1.89 -0.32 0.00 -0.26 0.00 0.00 58.87 56.39 2qu8 n SER 50 Cb 0.48 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 2qu8 n SER 50 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2qu8 n ARG 51 N 1.10 -3.53 -1.58 4.33 5.12 -0.83 -0.95 116.66 120.33 2qu8 n ARG 51 Ca 0.17 0.41 -0.19 0.00 -1.93 0.00 0.00 57.85 56.31 2qu8 n ARG 51 Cb 0.53 -4.99 -0.08 0.00 -1.16 0.00 0.00 32.46 26.76 2qu8 n ARG 51 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qu8 n ALA 52 N -4.43 -0.30 -2.54 7.54 0.00 -0.07 -4.91 120.51 115.81 2qu8 n ALA 52 Ca -0.04 0.30 -0.42 0.00 0.00 0.00 0.00 53.44 53.29 2qu8 n ALA 52 Cb 0.55 -1.89 -0.01 0.00 0.00 0.00 0.00 19.45 18.10 2qu8 n ALA 52 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2qu8 s ASN 53 N -2.58 6.65 -0.08 0.00 3.04 -0.12 -4.90 114.94 116.96 2qu8 s ASN 53 Ca 0.00 -2.27 0.00 0.00 0.04 0.00 0.00 52.86 50.63 2qu8 s ASN 53 Cb 0.00 -2.58 0.02 0.00 -1.54 0.00 0.00 41.25 37.15 2qu8 s ASN 53 CO 0.00 -1.36 -0.06 -0.69 -3.04 0.00 0.00 177.10 171.94 2qu8 s VAL 54 N 4.87 0.81 -0.17 -5.21 1.01 -1.26 -1.01 120.40 119.44 2qu8 s VAL 54 Ca 0.54 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 62.15 2qu8 s VAL 54 Cb 0.03 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 2qu8 s VAL 54 CO 0.06 0.31 0.42 -1.81 0.00 0.00 0.00 175.10 174.09 2qu8 s ASP 55 N 1.36 6.53 -0.34 3.32 -0.00 0.13 -4.93 116.67 122.75 2qu8 s ASP 55 Ca -0.03 0.63 -0.17 0.00 -0.00 0.00 0.00 52.55 52.98 2qu8 s ASP 55 Cb -0.14 -2.25 -0.01 0.00 -0.00 0.00 0.00 42.92 40.53 2qu8 s ASP 55 CO -0.03 -0.04 0.47 -0.69 -0.00 0.00 0.00 175.17 174.88 2qu8 s VAL 56 N 1.01 5.06 0.07 -1.27 1.01 -1.26 -1.48 120.40 123.55 2qu8 s VAL 56 Ca 0.21 0.33 0.09 0.00 0.00 0.00 0.00 61.98 62.61 2qu8 s VAL 56 Cb -0.15 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2qu8 s VAL 56 CO 0.08 -0.14 -0.24 -1.10 0.00 0.00 0.00 175.10 173.70 2qu8 s GLN 57 N 2.28 1.75 0.12 2.72 -0.21 0.46 -4.98 119.66 121.80 2qu8 s GLN 57 Ca 0.17 -1.15 0.07 0.00 0.02 0.00 0.00 55.36 54.47 2qu8 s GLN 57 Cb -0.16 -2.01 -0.04 0.00 1.00 0.00 0.00 33.01 31.80 2qu8 s GLN 57 CO 0.12 0.50 -0.07 -1.54 -2.12 0.00 0.00 175.29 172.18 2qu8 s SER 58 N -1.58 4.52 -0.08 5.90 1.04 -1.26 0.66 113.70 122.90 2qu8 s SER 58 Ca 0.13 -0.39 -0.19 0.00 0.48 0.00 0.00 55.95 55.99 2qu8 s SER 58 Cb -0.10 -0.89 -0.29 0.00 0.10 0.00 0.00 66.02 64.83 2qu8 s SER 58 CO 0.04 0.15 0.72 1.88 0.98 0.00 0.00 173.24 177.01 2qu8 h TYR 59 N 3.34 0.48 -3.35 5.02 0.05 -2.00 -3.46 116.97 117.04 2qu8 h TYR 59 Ca -0.48 -0.35 -0.60 0.00 0.05 0.00 0.00 58.73 57.34 2qu8 h TYR 59 Cb 1.18 -0.02 -0.12 0.00 1.01 0.00 0.00 36.73 38.78 2qu8 h TYR 59 CO 0.61 1.43 -0.46 -0.80 -1.05 0.00 0.00 178.16 177.90 2qu8 s ASN 65 N -7.00 6.23 -0.10 3.88 0.01 -1.26 -5.18 114.94 111.52 2qu8 s ASN 65 Ca -0.17 0.26 -0.03 0.00 -0.71 0.00 0.00 52.86 52.21 2qu8 s ASN 65 Cb 0.03 -2.11 -0.03 0.00 0.41 0.00 0.00 41.25 39.54 2qu8 s ASN 65 CO 0.79 0.13 0.03 -0.22 -1.51 0.00 0.00 177.10 176.32 2qu8 s LEU 66 N 0.58 3.73 -0.10 0.60 0.20 0.21 -4.24 118.68 119.66 2qu8 s LEU 66 Ca 0.10 0.19 0.04 0.00 0.69 0.00 0.00 54.13 55.15 2qu8 s LEU 66 Cb -0.12 -1.87 0.00 0.00 -0.43 0.00 0.00 46.19 43.77 2qu8 s LEU 66 CO 0.01 0.37 -0.24 -0.31 -0.29 0.00 0.00 176.35 175.89 2qu8 s TYR 67 N -0.81 2.51 -0.29 5.38 2.02 -0.37 -0.40 117.35 125.39 2qu8 s TYR 67 Ca 0.13 -1.02 0.02 0.00 -0.37 0.00 0.00 57.07 55.83 2qu8 s TYR 67 Cb -0.12 -1.68 0.08 0.00 -0.40 0.00 0.00 41.96 39.84 2qu8 s TYR 67 CO 0.02 -0.41 -0.01 0.08 -1.57 0.00 0.00 175.55 173.67 2qu8 s VAL 68 N 0.33 1.85 0.41 0.71 1.01 -0.55 -1.27 120.40 122.89 2qu8 s VAL 68 Ca -0.18 -1.72 -0.09 0.00 0.00 0.00 0.00 61.98 59.98 2qu8 s VAL 68 Cb -0.18 -2.19 -0.06 0.00 0.00 0.00 0.00 36.38 33.95 2qu8 s VAL 68 CO 0.09 -0.33 0.76 -0.83 0.00 0.00 0.00 175.10 174.79 2qu8 s GLY 69 N 1.19 1.88 -0.00 4.51 0.00 0.57 -0.70 107.32 114.76 2qu8 s GLY 69 Ca 0.01 -0.26 0.05 0.00 0.00 0.00 0.00 44.72 44.52 2qu8 s GLY 69 CO -0.09 -0.07 -0.15 0.30 0.00 0.00 0.00 173.10 173.09 2qu8 s HIS 70 N -2.42 1.30 0.10 1.90 3.76 -0.18 -0.50 115.29 119.26 2qu8 s HIS 70 Ca 0.50 -0.26 -0.20 0.00 -0.15 0.00 0.00 55.06 54.95 2qu8 s HIS 70 Cb -0.10 -0.83 0.05 0.00 1.11 0.00 0.00 32.58 32.81 2qu8 s HIS 70 CO 0.33 -0.01 0.50 -0.59 -0.85 0.00 0.00 174.74 174.12 2qu8 s PHE 71 N -0.40 -0.38 -0.07 1.40 -0.12 -0.52 -4.46 117.98 113.42 2qu8 s PHE 71 Ca 0.05 0.24 -0.02 0.00 -0.05 0.00 0.00 56.93 57.15 2qu8 s PHE 71 Cb -0.06 0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 2qu8 s PHE 71 CO -0.00 -0.72 0.03 -0.51 -0.05 0.00 0.00 175.22 173.97 2qu8 s ASP 72 N -2.46 5.47 -0.04 1.98 1.01 -1.26 0.54 116.67 121.90 2qu8 s ASP 72 Ca -0.01 0.18 -0.02 0.00 0.71 0.00 0.00 52.55 53.42 2qu8 s ASP 72 Cb 0.00 -1.58 0.03 0.00 1.01 0.00 0.00 42.92 42.39 2qu8 s ASP 72 CO -0.08 0.36 0.07 -2.28 0.21 0.00 0.00 175.17 173.45 2qu8 s HIS 73 N -0.96 0.02 -1.19 4.23 2.46 -0.11 -4.92 115.29 114.82 2qu8 s HIS 73 Ca 0.15 0.30 -0.11 0.00 0.47 0.00 0.00 55.06 55.87 2qu8 s HIS 73 Cb -0.12 -0.43 -0.02 0.00 -0.13 0.00 0.00 32.58 31.89 2qu8 s HIS 73 CO 0.05 -0.19 0.76 1.63 -2.47 0.00 0.00 174.74 174.51 2qu8 n LYS 74 N 5.21 -2.53 -0.78 2.88 4.76 -1.26 -2.15 118.16 124.29 2qu8 n LYS 74 Ca -0.05 0.56 0.00 0.00 -2.87 0.00 0.00 58.31 55.95 2qu8 n LYS 74 Cb 0.50 -4.72 0.00 0.00 -1.84 0.00 0.00 35.03 28.97 2qu8 n LYS 74 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2qu8 n LEU 75 N -4.06 0.60 -4.66 -0.35 4.77 -1.26 -4.97 117.00 107.06 2qu8 n LEU 75 Ca -0.16 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.50 2qu8 n LEU 75 Cb 0.63 -1.10 -0.09 0.00 -2.33 0.00 0.00 43.42 40.53 2qu8 n LEU 75 CO 0.67 -0.37 -0.34 0.20 -1.33 0.00 0.00 177.39 176.21 2qu8 s ASN 76 N -2.30 4.97 -0.13 -1.43 0.01 -0.91 -5.11 114.94 110.03 2qu8 s ASN 76 Ca 0.00 -0.07 -0.14 0.00 -0.71 0.00 0.00 52.86 51.95 2qu8 s ASN 76 Cb 0.00 -1.25 -0.05 0.00 0.41 0.00 0.00 41.25 40.37 2qu8 s ASN 76 CO 0.00 0.27 0.30 -0.54 -1.51 0.00 0.00 177.10 175.62 2qu8 s LYS 77 N -1.63 4.15 0.14 -0.60 1.02 -1.26 -0.94 119.74 120.62 2qu8 s LYS 77 Ca 0.20 0.13 0.09 0.00 0.02 0.00 0.00 55.97 56.41 2qu8 s LYS 77 Cb -0.11 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 2qu8 s LYS 77 CO 0.11 0.34 -0.20 0.71 -0.92 0.00 0.00 175.35 175.38 2qu8 s TYR 78 N 0.15 1.87 0.20 3.18 2.02 0.19 -4.27 117.35 120.70 2qu8 s TYR 78 Ca 0.18 -0.43 0.10 0.00 -0.37 0.00 0.00 57.07 56.55 2qu8 s TYR 78 Cb -0.13 -0.98 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 2qu8 s TYR 78 CO 0.05 0.29 -0.16 1.14 -1.57 0.00 0.00 175.55 175.30 2qu8 s GLN 79 N -2.32 1.83 -0.07 -0.62 -2.07 -0.26 -1.44 119.66 114.70 2qu8 s GLN 79 Ca 0.12 -1.42 -0.00 0.00 -1.82 0.00 0.00 55.36 52.24 2qu8 s GLN 79 Cb -0.08 -2.01 0.02 0.00 -1.09 0.00 0.00 33.01 29.86 2qu8 s GLN 79 CO 0.06 0.41 -0.04 -1.50 -1.32 0.00 0.00 175.29 172.90 2qu8 s ILE 80 N -1.78 0.61 -0.11 3.63 2.07 0.34 -0.82 121.20 125.14 2qu8 s ILE 80 Ca 0.24 -0.07 -0.00 0.00 -1.41 0.00 0.00 60.65 59.40 2qu8 s ILE 80 Cb -0.08 -0.68 -0.02 0.00 0.13 0.00 0.00 42.46 41.80 2qu8 s ILE 80 CO 0.13 0.28 -0.09 -0.63 -1.91 0.00 0.00 174.94 172.73 2qu8 s ILE 81 N 1.53 3.50 -0.11 2.00 1.01 0.03 -0.31 121.20 128.85 2qu8 s ILE 81 Ca -0.01 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.13 2qu8 s ILE 81 Cb -0.13 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 39.89 2qu8 s ILE 81 CO -0.04 0.55 -0.16 -0.62 0.00 0.00 0.00 174.94 174.67 2qu8 s ASP 82 N -0.18 2.53 -0.61 3.58 2.15 -0.40 -0.64 116.67 123.09 2qu8 s ASP 82 Ca 0.02 -0.45 0.06 0.00 0.43 0.00 0.00 52.55 52.60 2qu8 s ASP 82 Cb -0.13 -1.14 0.21 0.00 -0.30 0.00 0.00 42.92 41.56 2qu8 s ASP 82 CO 0.03 0.03 0.58 0.35 -0.17 0.00 0.00 175.17 175.99 2qu8 n THR 83 N 4.17 1.34 -1.81 1.71 -2.24 -1.26 -1.24 114.28 114.95 2qu8 n THR 83 Ca -0.19 -4.75 -0.41 0.00 -2.27 0.00 0.00 64.05 56.43 2qu8 n THR 83 Cb 0.51 -2.07 -0.01 0.00 -2.10 0.00 0.00 70.33 66.67 2qu8 n THR 83 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2qu8 s PRO 84 N -1.68 4.12 0.00 -0.78 0.04 -1.26 -1.81 135.00 133.64 2qu8 s PRO 84 Ca 0.33 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.93 2qu8 s PRO 84 Cb 0.07 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.62 2qu8 s PRO 84 CO -0.10 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 176.80 2qu8 n GLY 85 N 0.98 3.38 0.48 0.56 0.00 -1.26 -4.74 105.19 104.59 2qu8 n GLY 85 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 2qu8 n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qu8 n LEU 86 N 0.00 1.35 -1.78 0.99 4.77 -0.75 -4.76 117.00 116.83 2qu8 n LEU 86 Ca 0.00 0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 56.12 2qu8 n LEU 86 Cb 0.00 -0.53 0.25 0.00 -2.33 0.00 0.00 43.42 40.82 2qu8 n LEU 86 CO 0.00 0.04 1.00 0.18 -1.33 0.00 0.00 177.39 177.28 2qu8 n LEU 87 N -3.88 5.64 0.00 2.23 4.77 -1.14 -4.17 117.00 120.45 2qu8 n LEU 87 Ca -0.24 -3.39 0.00 0.00 -0.03 0.00 0.00 56.01 52.35 2qu8 n LEU 87 Cb 0.58 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2qu8 n LEU 87 CO 0.06 0.93 0.34 -0.90 -1.33 0.00 0.00 177.39 176.49 2qu8 n ASP 88 N -0.60 1.32 -3.65 -1.43 5.75 -1.26 -2.03 116.55 114.65 2qu8 n ASP 88 Ca 0.42 -1.42 -0.10 0.00 -0.01 0.00 0.00 54.79 53.68 2qu8 n ASP 88 Cb 1.34 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 41.38 2qu8 n ASP 88 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qu8 s ARG 89 N -0.42 1.06 0.75 0.11 1.70 -1.26 -4.04 118.95 116.84 2qu8 s ARG 89 Ca 0.00 -0.73 -0.15 0.00 -0.47 0.00 0.00 55.73 54.39 2qu8 s ARG 89 Cb 0.00 0.46 0.05 0.00 -0.57 0.00 0.00 34.95 34.89 2qu8 s ARG 89 CO 0.00 -0.41 1.21 0.00 -1.08 0.00 0.00 175.30 175.02 2qu8 s ALA 90 N -3.81 2.06 -0.92 7.88 0.00 -1.26 -4.94 121.76 120.77 2qu8 s ALA 90 Ca 0.03 0.87 0.26 0.00 0.00 0.00 0.00 51.96 53.12 2qu8 s ALA 90 Cb 0.02 -3.47 0.78 0.00 0.00 0.00 0.00 23.12 20.45 2qu8 s ALA 90 CO -0.12 -1.96 1.62 1.19 0.00 0.00 0.00 175.76 176.49 2qu8 n PHE 91 N -2.84 0.17 -0.28 0.00 3.72 -1.26 -4.23 117.46 112.73 2qu8 n PHE 91 Ca 0.13 0.05 0.22 0.00 -0.05 0.00 0.00 57.45 57.81 2qu8 n PHE 91 Cb 0.50 -0.47 0.54 0.00 -0.94 0.00 0.00 39.48 39.11 2qu8 n PHE 91 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2qu8 h GLU 92 N 0.00 0.34 -0.00 -1.08 5.08 -1.95 -1.93 114.58 115.03 2qu8 h GLU 92 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2qu8 h GLU 92 Cb 0.56 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2qu8 h GLU 92 CO 0.00 0.22 -0.65 0.09 -1.00 0.00 0.00 179.01 177.67 2qu8 n ASN 93 N -4.52 0.83 -4.76 1.42 3.02 -1.26 -4.95 115.26 105.04 2qu8 n ASN 93 Ca 0.22 -0.67 -0.39 0.00 -0.03 0.00 0.00 54.58 53.72 2qu8 n ASN 93 Cb 0.83 0.52 0.01 0.00 -0.61 0.00 0.00 39.78 40.53 2qu8 n ASN 93 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2qu8 s ARG 94 N -2.91 3.60 0.84 3.52 1.81 -0.73 -5.05 118.95 120.03 2qu8 s ARG 94 Ca 0.12 2.14 -0.07 0.00 -1.72 0.00 0.00 55.73 56.20 2qu8 s ARG 94 Cb 0.17 -2.50 0.17 0.00 -0.45 0.00 0.00 34.95 32.35 2qu8 s ARG 94 CO 0.73 -0.79 1.15 0.54 -0.68 0.00 0.00 175.30 176.26 2qu8 s ASN 95 N -0.91 3.69 0.09 0.23 2.20 -1.26 -4.89 114.94 114.09 2qu8 s ASN 95 Ca 0.64 -0.20 -0.30 0.00 -0.94 0.00 0.00 52.86 52.06 2qu8 s ASN 95 Cb -0.38 0.03 -0.13 0.00 -2.00 0.00 0.00 41.25 38.77 2qu8 s ASN 95 CO 0.46 -2.32 1.63 0.74 -2.94 0.00 0.00 177.10 174.68 2qu8 h THR 96 N -1.05 0.39 -0.76 0.54 2.02 -1.99 -1.48 112.91 110.58 2qu8 h THR 96 Ca -0.39 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.90 2qu8 h THR 96 Cb 1.24 0.39 -0.08 0.00 -1.74 0.00 0.00 68.15 67.97 2qu8 h THR 96 CO 0.36 0.00 0.38 0.40 0.37 0.00 0.00 175.52 177.03 2qu8 h ILE 97 N -0.64 0.82 -0.34 3.11 1.08 -1.99 -0.54 117.51 119.00 2qu8 h ILE 97 Ca -0.02 -0.21 -0.00 0.00 -0.39 0.00 0.00 64.86 64.23 2qu8 h ILE 97 Cb 0.57 0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 2qu8 h ILE 97 CO -0.03 0.11 0.20 -0.33 -0.69 0.00 0.00 178.15 177.41 2qu8 h GLU 98 N 0.62 0.46 -0.97 2.37 5.08 -1.92 -2.14 114.58 118.07 2qu8 h GLU 98 Ca 0.38 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.74 2qu8 h GLU 98 Cb 0.44 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 2qu8 h GLU 98 CO -0.29 0.36 0.64 0.52 -1.00 0.00 0.00 179.01 179.24 2qu8 h MET 99 N 0.43 1.17 -0.56 2.33 2.86 -0.26 0.52 114.93 121.42 2qu8 h MET 99 Ca 0.12 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 2qu8 h MET 99 Cb 0.03 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.40 2qu8 h MET 99 CO -0.02 0.78 -0.01 1.79 1.06 0.00 0.00 176.91 180.50 2qu8 h THR 100 N 1.21 1.26 -0.03 2.22 1.35 -0.95 0.32 112.91 118.29 2qu8 h THR 100 Ca 0.39 -1.12 -0.00 0.00 -0.55 0.00 0.00 66.41 65.13 2qu8 h THR 100 Cb 0.04 0.84 -0.00 0.00 -1.73 0.00 0.00 68.15 67.30 2qu8 h THR 100 CO -0.13 0.40 0.01 0.74 -0.25 0.00 0.00 175.52 176.30 2qu8 h THR 101 N 0.90 1.11 -0.17 6.82 2.02 -0.84 0.22 112.91 122.97 2qu8 h THR 101 Ca 0.16 -0.32 0.02 0.00 0.77 0.00 0.00 66.41 67.04 2qu8 h THR 101 Cb 0.54 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 2qu8 h THR 101 CO 0.03 0.09 0.06 0.40 0.37 0.00 0.00 175.52 176.46 2qu8 h ILE 102 N -0.09 0.96 -0.82 3.11 2.04 -0.60 -2.12 117.51 119.99 2qu8 h ILE 102 Ca 0.01 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 2qu8 h ILE 102 Cb 0.13 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 2qu8 h ILE 102 CO -0.00 0.02 0.40 0.74 0.00 0.00 0.00 178.15 179.31 2qu8 h THR 103 N 0.14 1.25 -1.00 -0.27 2.02 -0.32 -2.06 112.91 112.67 2qu8 h THR 103 Ca 0.07 -0.71 0.03 0.00 0.77 0.00 0.00 66.41 66.57 2qu8 h THR 103 Cb 0.05 0.21 -0.06 0.00 -1.74 0.00 0.00 68.15 66.61 2qu8 h THR 103 CO -0.08 0.30 0.66 0.00 0.37 0.00 0.00 175.52 176.78 2qu8 h ALA 104 N 1.21 1.33 -0.52 6.16 0.00 -0.23 -2.17 119.26 125.04 2qu8 h ALA 104 Ca 0.28 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 2qu8 h ALA 104 Cb 0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2qu8 h ALA 104 CO -0.04 0.58 -0.03 -0.07 0.00 0.00 0.00 179.25 179.70 2qu8 h LEU 105 N 1.29 0.88 -0.85 0.00 3.38 -1.09 -2.83 115.31 116.09 2qu8 h LEU 105 Ca 0.39 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2qu8 h LEU 105 Cb -0.04 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.48 2qu8 h LEU 105 CO -0.11 0.96 0.00 0.00 0.09 0.00 0.00 178.44 179.37 2qu8 n ALA 106 N -2.48 1.44 0.18 1.53 0.00 -0.80 -2.38 120.51 117.99 2qu8 n ALA 106 Ca 0.02 0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.68 2qu8 n ALA 106 Cb 0.34 -1.34 0.21 0.00 0.00 0.00 0.00 19.45 18.66 2qu8 n ALA 106 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2qu8 n HIS 107 N -2.17 0.54 -1.65 0.00 8.25 -1.05 -4.90 115.22 114.24 2qu8 n HIS 107 Ca 0.01 -0.29 -0.30 0.00 -0.26 0.00 0.00 57.72 56.87 2qu8 n HIS 107 Cb 0.16 -0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.33 2qu8 n HIS 107 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2qu8 s ILE 108 N -1.35 3.54 -1.12 1.59 -1.09 -1.00 -4.94 121.20 116.84 2qu8 s ILE 108 Ca 0.37 0.50 -0.20 0.00 -2.23 0.00 0.00 60.65 59.10 2qu8 s ILE 108 Cb 0.22 -3.31 -0.06 0.00 -1.58 0.00 0.00 42.46 37.73 2qu8 s ILE 108 CO 0.30 -0.66 1.97 -3.20 -1.23 0.00 0.00 174.94 172.12 2qu8 n ASN 109 N -3.21 3.39 -4.16 3.58 5.15 -0.54 -4.91 115.26 114.56 2qu8 n ASN 109 Ca 0.07 -2.76 -0.10 0.00 -0.60 0.00 0.00 54.58 51.19 2qu8 n ASN 109 Cb 0.55 -1.49 -0.10 0.00 -0.53 0.00 0.00 39.78 38.21 2qu8 n ASN 109 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2qu8 s GLY 110 N 4.76 0.86 -0.00 8.20 0.00 -1.26 -1.31 107.32 118.57 2qu8 s GLY 110 Ca 0.57 -1.41 0.05 0.00 0.00 0.00 0.00 44.72 43.93 2qu8 s GLY 110 CO 0.07 -1.40 -0.13 0.54 0.00 0.00 0.00 173.10 172.17 2qu8 s VAL 111 N -3.86 3.14 -0.03 1.40 0.11 -0.16 -4.63 120.40 116.37 2qu8 s VAL 111 Ca 0.17 -0.91 -0.22 0.00 -2.93 0.00 0.00 61.98 58.10 2qu8 s VAL 111 Cb 0.07 -2.30 -0.05 0.00 -1.53 0.00 0.00 36.38 32.57 2qu8 s VAL 111 CO -0.02 0.44 0.64 -0.63 -3.33 0.00 0.00 175.10 172.20 2qu8 s ILE 112 N -0.88 4.96 -0.40 7.04 -1.09 -0.63 -0.75 121.20 129.44 2qu8 s ILE 112 Ca 0.14 1.34 -0.05 0.00 -2.23 0.00 0.00 60.65 59.85 2qu8 s ILE 112 Cb -0.11 -3.98 0.09 0.00 -1.58 0.00 0.00 42.46 36.88 2qu8 s ILE 112 CO 0.04 0.35 0.20 -0.22 -1.23 0.00 0.00 174.94 174.08 2qu8 s LEU 113 N 0.24 5.05 -0.35 2.97 2.96 0.37 -0.12 118.68 129.80 2qu8 s LEU 113 Ca 0.34 -1.73 -0.17 0.00 -0.22 0.00 0.00 54.13 52.36 2qu8 s LEU 113 Cb -0.18 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 2qu8 s LEU 113 CO 0.18 -0.51 0.43 0.12 -1.32 0.00 0.00 176.35 175.25 2qu8 s PHE 114 N 1.27 3.20 -0.21 5.38 5.36 -0.48 -0.95 117.98 131.55 2qu8 s PHE 114 Ca 0.04 0.05 -0.12 0.00 -0.96 0.00 0.00 56.93 55.95 2qu8 s PHE 114 Cb -0.23 -2.79 -0.05 0.00 -0.34 0.00 0.00 43.02 39.62 2qu8 s PHE 114 CO -0.01 -0.49 0.21 0.42 -1.46 0.00 0.00 175.22 173.89 2qu8 s ILE 115 N 2.19 5.34 -0.21 3.12 1.01 0.27 -0.38 121.20 132.54 2qu8 s ILE 115 Ca 0.15 0.33 -0.05 0.00 0.00 0.00 0.00 60.65 61.08 2qu8 s ILE 115 Cb -0.16 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 2qu8 s ILE 115 CO 0.12 0.37 -0.00 -0.63 0.00 0.00 0.00 174.94 174.80 2qu8 s ILE 116 N 0.76 3.83 -0.79 2.92 1.01 0.16 -4.26 121.20 124.83 2qu8 s ILE 116 Ca 0.11 -0.35 -0.26 0.00 0.00 0.00 0.00 60.65 60.15 2qu8 s ILE 116 Cb -0.13 -2.74 0.03 0.00 0.01 0.00 0.00 42.46 39.63 2qu8 s ILE 116 CO 0.03 0.42 1.32 -0.62 0.00 0.00 0.00 174.94 176.08 2qu8 s ASP 117 N 1.18 6.22 0.00 3.58 2.15 -1.26 -0.25 116.67 128.29 2qu8 s ASP 117 Ca 0.03 -0.64 0.21 0.00 0.43 0.00 0.00 52.55 52.58 2qu8 s ASP 117 Cb -0.14 -2.56 0.92 0.00 -0.30 0.00 0.00 42.92 40.83 2qu8 s ASP 117 CO 0.01 -1.78 1.66 2.30 -0.17 0.00 0.00 175.17 177.19 2qu8 n ILE 118 N 6.48 0.54 0.54 4.11 -5.35 -1.00 -1.91 119.36 122.77 2qu8 n ILE 118 Ca 0.09 0.13 0.13 0.00 -0.27 0.00 0.00 62.75 62.83 2qu8 n ILE 118 Cb 0.49 -0.78 0.34 0.00 -1.74 0.00 0.00 39.64 37.96 2qu8 n ILE 118 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2qu8 h SER 119 N 0.00 0.00 0.00 7.28 4.64 -1.79 -3.48 113.55 120.20 2qu8 h SER 119 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2qu8 h SER 119 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2qu8 h SER 119 CO 0.00 0.01 0.00 -0.62 -0.87 0.00 0.00 176.83 175.35 2qu8 n GLU 120 N -2.41 -1.23 0.32 4.77 1.02 -0.80 -4.86 120.64 117.44 2qu8 n GLU 120 Ca 0.05 0.31 0.19 0.00 -0.02 0.00 0.00 57.16 57.69 2qu8 n GLU 120 Cb 0.45 -4.40 1.08 0.00 -0.02 0.00 0.00 31.44 28.54 2qu8 n GLU 120 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2qu8 h GLN 121 N 0.34 0.00 0.00 3.49 4.20 -1.86 -1.68 115.11 119.60 2qu8 h GLN 121 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2qu8 h GLN 121 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 2qu8 h GLN 121 CO 0.00 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.16 2qu8 n GLY 123 N -0.84 0.59 3.24 0.00 0.00 -0.63 -4.77 105.19 102.78 2qu8 n GLY 123 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 2qu8 n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qu8 s LEU 124 N 0.00 2.17 0.83 0.99 1.43 -1.25 -5.14 118.68 117.71 2qu8 s LEU 124 Ca 0.00 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.47 2qu8 s LEU 124 Cb 0.00 -0.92 0.09 0.00 0.03 0.00 0.00 46.19 45.39 2qu8 s LEU 124 CO 0.00 0.14 1.09 0.42 0.23 0.00 0.00 176.35 178.23 2qu8 s THR 125 N -0.82 2.99 0.26 5.49 -4.23 -1.26 -4.58 115.64 113.49 2qu8 s THR 125 Ca 0.07 0.32 -0.01 0.00 -1.18 0.00 0.00 61.69 60.89 2qu8 s THR 125 Cb -0.09 -2.90 0.24 0.00 1.34 0.00 0.00 72.50 71.10 2qu8 s THR 125 CO 0.02 -0.42 1.79 0.40 -0.54 0.00 0.00 174.62 175.86 2qu8 h ILE 126 N -1.28 0.80 -0.71 2.99 2.04 -1.93 -0.92 117.51 118.50 2qu8 h ILE 126 Ca -0.47 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.07 2qu8 h ILE 126 Cb 1.26 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 2qu8 h ILE 126 CO 0.55 0.13 0.19 0.50 0.00 0.00 0.00 178.15 179.53 2qu8 h LYS 127 N 0.73 1.12 -0.31 2.37 3.64 -1.97 0.87 116.57 123.02 2qu8 h LYS 127 Ca 0.46 -0.26 -0.08 0.00 -1.27 0.00 0.00 60.65 59.50 2qu8 h LYS 127 Cb 0.57 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2qu8 h LYS 127 CO -0.32 0.98 -0.16 0.93 -2.27 0.00 0.00 179.45 178.60 2qu8 h GLU 128 N 1.06 0.56 -0.17 1.90 5.08 -1.77 0.54 114.58 121.77 2qu8 h GLU 128 Ca 0.22 -0.18 -0.17 0.00 -1.00 0.00 0.00 59.36 58.23 2qu8 h GLU 128 Cb 0.34 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2qu8 h GLU 128 CO -0.00 0.70 -0.59 1.96 -1.00 0.00 0.00 179.01 180.08 2qu8 h GLN 129 N 0.50 0.56 -0.29 2.33 4.20 -0.62 -1.57 115.11 120.22 2qu8 h GLN 129 Ca 0.09 -0.37 -0.08 0.00 0.06 0.00 0.00 58.65 58.35 2qu8 h GLN 129 Cb 0.57 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 2qu8 h GLN 129 CO 0.04 0.99 -0.12 0.82 -0.67 0.00 0.00 178.83 179.89 2qu8 h ILE 130 N 0.42 1.29 -0.81 2.54 2.04 -0.64 -1.86 117.51 120.49 2qu8 h ILE 130 Ca -0.00 -1.19 0.16 0.00 1.00 0.00 0.00 64.86 64.83 2qu8 h ILE 130 Cb 1.15 1.45 -0.10 0.00 -0.74 0.00 0.00 36.82 38.58 2qu8 h ILE 130 CO 0.11 0.38 0.35 0.78 0.00 0.00 0.00 178.15 179.77 2qu8 h ASN 131 N 0.35 0.35 -0.50 1.72 4.21 -0.84 -0.70 115.58 120.16 2qu8 h ASN 131 Ca 0.07 0.11 0.02 0.00 1.21 0.00 0.00 56.30 57.71 2qu8 h ASN 131 Cb 0.62 0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 37.87 2qu8 h ASN 131 CO 0.04 0.11 0.31 0.25 -1.29 0.00 0.00 177.43 176.86 2qu8 h LEU 132 N 0.48 0.52 -0.33 1.61 5.85 -1.06 -2.08 115.31 120.31 2qu8 h LEU 132 Ca 0.46 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.21 2qu8 h LEU 132 Cb 0.72 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 2qu8 h LEU 132 CO -0.42 0.37 0.09 0.15 -0.34 0.00 0.00 178.44 178.29 2qu8 h PHE 133 N 0.63 0.15 -0.68 1.25 3.57 -0.32 -2.17 116.94 119.38 2qu8 h PHE 133 Ca 0.20 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 2qu8 h PHE 133 Cb -0.02 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 2qu8 h PHE 133 CO -0.05 0.05 0.23 1.88 -2.23 0.00 0.00 178.31 178.19 2qu8 h TYR 134 N 0.22 1.05 0.00 0.41 0.05 -1.18 -0.53 116.97 116.99 2qu8 h TYR 134 Ca 0.15 -0.09 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 2qu8 h TYR 134 Cb 0.15 -0.31 -0.00 0.00 1.01 0.00 0.00 36.73 37.57 2qu8 h TYR 134 CO -0.16 0.83 -0.14 1.03 -1.05 0.00 0.00 178.16 178.67 2qu8 h SER 135 N 1.00 0.00 0.00 3.88 0.87 -0.76 -3.27 113.55 115.27 2qu8 h SER 135 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2qu8 h SER 135 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2qu8 h SER 135 CO -0.01 0.14 0.00 2.30 -0.53 0.00 0.00 176.83 178.73 2qu8 n ILE 136 N -3.76 0.00 0.79 2.23 -5.35 -0.93 -4.67 119.36 107.66 2qu8 n ILE 136 Ca -0.02 -0.41 0.13 0.00 -0.27 0.00 0.00 62.75 62.19 2qu8 n ILE 136 Cb 0.25 1.12 0.50 0.00 -1.74 0.00 0.00 39.64 39.77 2qu8 n ILE 136 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 2qu8 n LYS 137 N -0.29 0.14 0.20 6.28 0.00 -0.22 -3.11 118.16 121.16 2qu8 n LYS 137 Ca 0.00 0.12 0.06 0.00 -0.00 0.00 0.00 58.31 58.50 2qu8 n LYS 137 Cb 0.03 -1.66 0.42 0.00 -0.00 0.00 0.00 35.03 33.82 2qu8 n LYS 137 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2qu8 h SER 138 N 0.00 0.00 0.68 -5.58 4.64 -1.83 -2.64 113.55 108.82 2qu8 h SER 138 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2qu8 h SER 138 Cb 0.61 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 2qu8 h SER 138 CO 0.00 0.32 -0.30 1.62 -0.87 0.00 0.00 176.83 177.60 2qu8 h VAL 139 N 0.00 0.82 -3.77 0.95 3.04 -1.88 -3.47 116.25 111.93 2qu8 h VAL 139 Ca -0.00 -1.21 -0.63 0.00 -1.01 0.00 0.00 66.70 63.85 2qu8 h VAL 139 Cb 0.73 1.74 -0.16 0.00 -2.01 0.00 0.00 31.29 31.59 2qu8 h VAL 139 CO 0.04 0.29 -0.47 -0.36 -1.01 0.00 0.00 177.57 176.06 2qu8 s PHE 140 N -3.83 3.26 -0.98 3.17 0.40 -1.00 -4.85 117.98 114.15 2qu8 s PHE 140 Ca -0.01 0.20 -0.14 0.00 -0.60 0.00 0.00 56.93 56.39 2qu8 s PHE 140 Cb 0.12 -2.38 0.21 0.00 0.51 0.00 0.00 43.02 41.49 2qu8 s PHE 140 CO 0.66 -0.10 1.02 1.21 0.70 0.00 0.00 175.22 178.71 2qu8 s ASN 142 N 1.52 6.94 0.39 1.36 2.47 -1.26 -4.88 114.94 121.47 2qu8 s ASN 142 Ca 0.09 -2.86 0.08 0.00 0.42 0.00 0.00 52.86 50.58 2qu8 s ASN 142 Cb -0.15 -2.27 0.00 0.00 -1.45 0.00 0.00 41.25 37.38 2qu8 s ASN 142 CO 0.09 -0.61 0.53 -0.54 -3.72 0.00 0.00 177.10 172.85 2qu8 s LYS 143 N 0.42 2.90 0.60 0.43 1.02 -1.26 -4.99 119.74 118.86 2qu8 s LYS 143 Ca 0.27 -1.19 -0.18 0.00 0.02 0.00 0.00 55.97 54.90 2qu8 s LYS 143 Cb -0.08 -2.76 -0.03 0.00 -0.52 0.00 0.00 37.83 34.44 2qu8 s LYS 143 CO -0.08 -0.16 1.15 -1.12 -0.92 0.00 0.00 175.35 174.22 2qu8 s SER 144 N -4.28 5.34 -0.02 2.83 0.01 -1.26 -4.41 113.70 111.91 2qu8 s SER 144 Ca 0.51 2.19 0.01 0.00 1.31 0.00 0.00 55.95 59.97 2qu8 s SER 144 Cb -0.09 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.57 2qu8 s SER 144 CO 0.32 -1.48 -0.03 -0.63 0.41 0.00 0.00 173.24 171.83 2qu8 s ILE 145 N -1.89 0.35 -0.18 1.44 1.01 -0.68 -1.61 121.20 119.63 2qu8 s ILE 145 Ca 0.72 -0.08 -0.07 0.00 0.00 0.00 0.00 60.65 61.23 2qu8 s ILE 145 Cb -0.25 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 2qu8 s ILE 145 CO 0.33 0.15 0.04 -0.69 0.00 0.00 0.00 174.94 174.77 2qu8 s VAL 146 N 0.55 4.61 -0.33 2.92 1.01 0.82 -1.70 120.40 128.29 2qu8 s VAL 146 Ca -0.06 -0.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.64 2qu8 s VAL 146 Cb -0.09 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 2qu8 s VAL 146 CO -0.01 0.47 0.52 -0.63 0.00 0.00 0.00 175.10 175.45 2qu8 s ILE 147 N 0.35 5.02 -0.25 2.22 -1.09 0.38 -1.38 121.20 126.45 2qu8 s ILE 147 Ca 0.02 0.47 -0.14 0.00 -2.23 0.00 0.00 60.65 58.77 2qu8 s ILE 147 Cb -0.13 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.78 2qu8 s ILE 147 CO 0.01 -0.15 0.32 -0.83 -1.23 0.00 0.00 174.94 173.06 2qu8 s GLY 148 N 1.72 1.96 -0.49 6.18 0.00 0.49 -1.14 107.32 116.04 2qu8 s GLY 148 Ca 0.19 -0.78 -0.18 0.00 0.00 0.00 0.00 44.72 43.96 2qu8 s GLY 148 CO 0.12 0.79 0.54 -1.36 0.00 0.00 0.00 173.10 173.20 2qu8 s PHE 149 N 1.64 3.12 0.35 1.90 0.40 0.15 0.36 117.98 125.90 2qu8 s PHE 149 Ca 0.14 -0.68 0.07 0.00 -0.60 0.00 0.00 56.93 55.86 2qu8 s PHE 149 Cb -0.15 -3.39 -0.01 0.00 0.51 0.00 0.00 43.02 39.97 2qu8 s PHE 149 CO 0.08 -0.94 0.42 1.21 0.70 0.00 0.00 175.22 176.69 2qu8 s ASN 150 N 2.65 5.69 -1.00 1.36 2.47 0.65 -0.89 114.94 125.87 2qu8 s ASN 150 Ca 0.11 -0.33 -0.03 0.00 0.42 0.00 0.00 52.86 53.03 2qu8 s ASN 150 Cb -0.21 -1.07 0.00 0.00 -1.45 0.00 0.00 41.25 38.52 2qu8 s ASN 150 CO 0.10 -0.45 0.37 0.29 -3.72 0.00 0.00 177.10 173.70 2qu8 n LYS 151 N -1.57 -3.05 0.18 0.43 5.02 -0.84 -2.38 118.16 115.96 2qu8 n LYS 151 Ca 0.00 0.59 0.13 0.00 -2.02 0.00 0.00 58.31 57.01 2qu8 n LYS 151 Cb 0.59 -4.77 0.64 0.00 -0.02 0.00 0.00 35.03 31.47 2qu8 n LYS 151 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 2qu8 h ILE 152 N -0.85 0.00 0.00 -0.18 3.07 -1.78 -0.04 117.51 117.73 2qu8 h ILE 152 Ca -0.34 -0.08 0.00 0.00 1.55 0.00 0.00 64.86 65.99 2qu8 h ILE 152 Cb 1.23 0.70 0.00 0.00 -0.27 0.00 0.00 36.82 38.49 2qu8 h ILE 152 CO 0.36 0.00 0.00 -2.24 -1.05 0.00 0.00 178.15 175.22 2qu8 h ASP 153 N 0.00 0.00 -0.02 2.16 3.04 -1.91 -2.46 116.42 117.23 2qu8 h ASP 153 Ca 0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2qu8 h ASP 153 Cb 0.11 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.40 2qu8 h ASP 153 CO 0.00 0.00 -0.02 0.29 -2.04 0.00 0.00 179.24 177.47 2qu8 n LYS 154 N -2.40 1.39 0.00 4.15 4.76 -0.03 -5.06 118.16 120.97 2qu8 n LYS 154 Ca -0.00 -2.62 0.00 0.00 -2.87 0.00 0.00 58.31 52.82 2qu8 n LYS 154 Cb 0.12 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 2qu8 n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qu8 n ASN 156 N 0.00 0.00 0.00 0.00 5.15 -1.26 -4.89 115.26 114.26 2qu8 n ASN 156 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2qu8 n ASN 156 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2qu8 n ASN 156 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2qu8 n SER 159 N -0.09 0.00 -4.87 1.20 3.41 -1.26 -5.04 113.62 106.97 2qu8 n SER 159 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 2qu8 n SER 159 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2qu8 n SER 159 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qu8 s LEU 160 N 0.00 3.82 0.54 1.04 1.02 -1.26 -5.04 118.68 118.80 2qu8 s LEU 160 Ca 0.00 1.20 -0.22 0.00 0.02 0.00 0.00 54.13 55.13 2qu8 s LEU 160 Cb 0.00 -4.08 -0.05 0.00 0.02 0.00 0.00 46.19 42.08 2qu8 s LEU 160 CO 0.00 -0.41 1.31 -1.20 0.02 0.00 0.00 176.35 176.07 2qu8 n SER 161 N -1.27 2.45 -0.06 2.29 7.64 -1.26 -4.77 113.62 118.64 2qu8 n SER 161 Ca 0.03 0.97 -0.01 0.00 1.01 0.00 0.00 58.87 60.87 2qu8 n SER 161 Cb 0.54 -1.55 0.26 0.00 -1.01 0.00 0.00 64.21 62.45 2qu8 n SER 161 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 2qu8 h ILE 162 N 1.37 1.20 -0.68 0.44 3.07 -1.98 0.29 117.51 121.21 2qu8 h ILE 162 Ca -0.50 -0.74 -0.04 0.00 1.55 0.00 0.00 64.86 65.13 2qu8 h ILE 162 Cb 1.31 0.78 -0.03 0.00 -0.27 0.00 0.00 36.82 38.61 2qu8 h ILE 162 CO 0.57 0.27 0.27 0.44 -1.05 0.00 0.00 178.15 178.64 2qu8 h ASP 163 N 0.64 0.94 -0.33 2.16 5.19 -1.98 0.11 116.42 123.16 2qu8 h ASP 163 Ca 0.14 -0.17 -0.04 0.00 -0.62 0.00 0.00 57.03 56.34 2qu8 h ASP 163 Cb 0.27 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 2qu8 h ASP 163 CO 0.00 0.86 0.05 0.78 -3.12 0.00 0.00 179.24 177.81 2qu8 h ASN 164 N 0.97 0.52 -0.93 6.45 2.35 -1.59 0.52 115.58 123.87 2qu8 h ASN 164 Ca 0.23 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2qu8 h ASN 164 Cb 0.21 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 2qu8 h ASN 164 CO -0.02 0.65 0.55 0.11 -1.65 0.00 0.00 177.43 177.07 2qu8 h LYS 165 N 0.37 1.27 0.00 0.81 1.57 -0.42 -1.23 116.57 118.94 2qu8 h LYS 165 Ca 0.10 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 2qu8 h LYS 165 Cb 0.35 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2qu8 h LYS 165 CO 0.01 0.90 -0.60 -0.07 -0.57 0.00 0.00 179.45 179.12 2qu8 h LEU 166 N 1.29 0.00 -0.38 2.94 3.38 -0.90 -0.67 115.31 120.96 2qu8 h LEU 166 Ca 0.33 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.24 2qu8 h LEU 166 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2qu8 h LEU 166 CO -0.06 0.60 0.02 -0.07 0.09 0.00 0.00 178.44 179.01 2qu8 h LEU 167 N 0.00 0.65 -0.30 1.67 3.38 -0.63 0.20 115.31 120.28 2qu8 h LEU 167 Ca -0.01 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 2qu8 h LEU 167 Cb 1.32 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2qu8 h LEU 167 CO 0.08 0.78 0.17 0.40 0.09 0.00 0.00 178.44 179.96 2qu8 h ILE 168 N 0.49 1.12 -1.01 1.22 2.04 -1.15 -2.88 117.51 117.34 2qu8 h ILE 168 Ca 0.11 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.69 2qu8 h ILE 168 Cb 0.44 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 2qu8 h ILE 168 CO 0.02 0.12 0.67 0.50 0.00 0.00 0.00 178.15 179.45 2qu8 h LYS 169 N 0.37 1.32 -0.10 2.37 3.64 -1.07 -2.16 116.57 120.94 2qu8 h LYS 169 Ca 0.11 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 2qu8 h LYS 169 Cb 0.04 -0.30 -0.00 0.00 -0.41 0.00 0.00 32.23 31.56 2qu8 h LYS 169 CO -0.02 0.87 0.10 1.96 -2.27 0.00 0.00 179.45 180.09 2qu8 h GLN 170 N 1.36 0.00 -1.00 1.90 4.20 -0.74 -2.07 115.11 118.75 2qu8 h GLN 170 Ca 0.37 0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.13 2qu8 h GLN 170 Cb -0.14 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.58 2qu8 h GLN 170 CO -0.09 0.00 0.65 0.82 -0.67 0.00 0.00 178.83 179.55 2qu8 h ILE 171 N 0.00 1.14 0.00 2.54 2.04 -1.22 -0.23 117.51 121.78 2qu8 h ILE 171 Ca 0.05 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 2qu8 h ILE 171 Cb 0.24 -0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.12 2qu8 h ILE 171 CO -0.00 0.23 -0.09 -0.07 0.00 0.00 0.00 178.15 178.21 2qu8 h LEU 172 N 1.24 0.00 0.12 1.44 3.38 -1.49 -1.94 115.31 118.05 2qu8 h LEU 172 Ca 0.41 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 58.05 2qu8 h LEU 172 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2qu8 h LEU 172 CO -0.14 0.09 -1.73 0.44 0.09 0.00 0.00 178.44 177.19 2qu8 h ASP 173 N 0.00 0.39 1.60 -0.43 5.19 -1.39 -3.36 116.42 118.41 2qu8 h ASP 173 Ca -0.00 -0.66 0.00 0.00 -0.62 0.00 0.00 57.03 55.75 2qu8 h ASP 173 Cb 0.18 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.56 2qu8 h ASP 173 CO 0.01 1.57 0.00 0.78 -3.12 0.00 0.00 179.24 178.48 2qu8 h ASN 174 N 0.07 0.00 -3.37 6.45 2.35 -0.89 -3.45 115.58 116.74 2qu8 h ASN 174 Ca -0.32 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 54.80 2qu8 h ASN 174 Cb 2.04 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 40.21 2qu8 h ASN 174 CO 0.13 0.00 -0.63 -0.69 -1.65 0.00 0.00 177.43 174.59 2qu8 s VAL 175 N -3.35 4.23 -0.04 2.81 1.01 -0.75 -4.98 120.40 119.34 2qu8 s VAL 175 Ca 0.05 -0.23 0.12 0.00 0.00 0.00 0.00 61.98 61.93 2qu8 s VAL 175 Cb 0.07 -2.90 -0.11 0.00 0.00 0.00 0.00 36.38 33.44 2qu8 s VAL 175 CO 0.61 0.45 1.17 0.11 0.00 0.00 0.00 175.10 177.45 2qu8 h LYS 176 N 7.04 0.00 -6.88 2.72 1.57 -1.90 -3.47 116.57 115.66 2qu8 h LYS 176 Ca -0.35 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.88 2qu8 h LYS 176 Cb 1.18 0.00 0.12 0.00 0.08 0.00 0.00 32.23 33.61 2qu8 h LYS 176 CO 0.64 0.64 0.60 0.09 -0.57 0.00 0.00 179.45 180.85 2qu8 n ASN 177 N -3.19 2.99 -4.72 0.86 4.13 -1.26 -4.96 115.26 109.11 2qu8 n ASN 177 Ca -0.03 1.14 -0.42 0.00 1.68 0.00 0.00 54.58 56.95 2qu8 n ASN 177 Cb 0.87 -1.55 -0.03 0.00 -1.54 0.00 0.00 39.78 37.53 2qu8 n ASN 177 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2qu8 s PRO 178 N -2.23 4.24 -0.02 3.52 0.04 -1.26 -4.92 135.00 134.36 2qu8 s PRO 178 Ca 0.59 2.29 0.03 0.00 0.04 0.00 0.00 61.00 63.95 2qu8 s PRO 178 Cb -0.49 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 30.86 2qu8 s PRO 178 CO 0.59 -0.57 -0.09 0.42 0.04 0.00 0.00 177.00 177.39 2qu8 s ILE 179 N 1.19 0.79 0.22 0.56 1.01 -1.26 -1.69 121.20 122.02 2qu8 s ILE 179 Ca 0.69 -0.37 0.10 0.00 0.00 0.00 0.00 60.65 61.07 2qu8 s ILE 179 Cb -0.42 -0.70 -0.05 0.00 0.01 0.00 0.00 42.46 41.31 2qu8 s ILE 179 CO 0.31 0.24 -0.18 -0.54 0.00 0.00 0.00 174.94 174.77 2qu8 s LYS 180 N 0.16 1.47 0.05 2.79 -0.14 -0.69 -5.01 119.74 118.37 2qu8 s LYS 180 Ca -0.03 -1.62 0.03 0.00 -1.36 0.00 0.00 55.97 53.00 2qu8 s LYS 180 Cb -0.08 -1.48 -0.04 0.00 -1.68 0.00 0.00 37.83 34.55 2qu8 s LYS 180 CO 0.00 0.28 -0.01 -0.06 -0.76 0.00 0.00 175.35 174.81 2qu8 s PHE 181 N -2.49 3.01 -0.09 3.18 0.08 -1.26 -0.47 117.98 119.93 2qu8 s PHE 181 Ca 0.24 0.01 -0.05 0.00 0.12 0.00 0.00 56.93 57.25 2qu8 s PHE 181 Cb -0.04 -1.59 0.04 0.00 -0.57 0.00 0.00 43.02 40.86 2qu8 s PHE 181 CO 0.10 0.46 0.22 -1.12 -0.10 0.00 0.00 175.22 174.78 2qu8 s SER 182 N -1.96 -0.22 -0.07 1.36 0.01 -0.29 -4.91 113.70 107.61 2qu8 s SER 182 Ca 0.23 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.95 2qu8 s SER 182 Cb -0.12 0.36 -0.03 0.00 0.21 0.00 0.00 66.02 66.44 2qu8 s SER 182 CO 0.14 -0.15 -0.05 -0.44 0.41 0.00 0.00 173.24 173.16 2qu8 s SER 183 N 1.10 4.82 0.24 2.44 0.01 -1.26 0.32 113.70 121.37 2qu8 s SER 183 Ca -0.08 0.02 -0.21 0.00 1.31 0.00 0.00 55.95 56.99 2qu8 s SER 183 Cb -0.10 -1.25 0.05 0.00 0.21 0.00 0.00 66.02 64.94 2qu8 s SER 183 CO -0.07 0.36 0.87 0.72 0.41 0.00 0.00 173.24 175.54 2qu8 s PHE 184 N -0.84 -0.06 -0.16 2.43 -0.12 -0.07 -4.62 117.98 114.53 2qu8 s PHE 184 Ca 0.13 -0.38 -0.01 0.00 -0.05 0.00 0.00 56.93 56.61 2qu8 s PHE 184 Cb -0.11 0.71 0.05 0.00 -0.63 0.00 0.00 43.02 43.04 2qu8 s PHE 184 CO 0.02 -1.11 -0.01 0.45 -0.05 0.00 0.00 175.22 174.51 2qu8 s SER 185 N -3.04 2.73 0.00 1.98 0.15 -0.57 -1.98 113.70 112.97 2qu8 s SER 185 Ca 0.14 -0.66 0.24 0.00 0.70 0.00 0.00 55.95 56.37 2qu8 s SER 185 Cb -0.04 -0.75 1.27 0.00 -1.71 0.00 0.00 66.02 64.79 2qu8 s SER 185 CO 0.06 -0.23 1.80 0.35 1.20 0.00 0.00 173.24 176.42 2qu8 n THR 186 N 4.96 0.18 0.02 6.45 -2.24 -1.26 -0.35 114.28 122.04 2qu8 n THR 186 Ca -0.10 0.05 -0.21 0.00 -2.27 0.00 0.00 64.05 61.52 2qu8 n THR 186 Cb 0.48 -0.66 -0.14 0.00 -2.10 0.00 0.00 70.33 67.91 2qu8 n THR 186 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2qu8 h LEU 187 N 0.00 0.43 0.00 3.22 5.85 -1.97 -3.41 115.31 119.44 2qu8 h LEU 187 Ca 0.00 -0.89 0.00 0.00 0.84 0.00 0.00 57.88 57.83 2qu8 h LEU 187 Cb 0.16 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2qu8 h LEU 187 CO 0.00 1.79 -1.58 0.35 -0.34 0.00 0.00 178.44 178.66 2qu8 n THR 188 N -3.48 0.01 0.00 1.05 -2.24 -1.18 -4.99 114.28 103.46 2qu8 n THR 188 Ca -0.29 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 2qu8 n THR 188 Cb 1.05 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 2qu8 n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qu8 n GLY 189 N 1.35 2.96 3.70 3.38 0.00 0.53 -5.03 105.19 112.08 2qu8 n GLY 189 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2qu8 n GLY 189 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qu8 s VAL 190 N -2.18 2.49 0.00 1.61 1.01 -1.23 -2.31 120.40 119.80 2qu8 s VAL 190 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2qu8 s VAL 190 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.30 2qu8 s VAL 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2qu8 n GLY 191 N 4.12 2.29 0.05 4.51 0.00 -1.26 -1.51 105.19 113.39 2qu8 n GLY 191 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 2qu8 n GLY 191 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qu8 h VAL 192 N 0.00 1.21 -0.83 1.61 2.07 -1.74 -1.03 116.25 117.53 2qu8 h VAL 192 Ca 0.00 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 2qu8 h VAL 192 Cb 0.00 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 2qu8 h VAL 192 CO 0.00 0.16 0.40 -0.33 0.02 0.00 0.00 177.57 177.82 2qu8 h GLU 193 N -0.25 1.20 -0.55 1.57 4.39 -1.92 -1.71 114.58 117.31 2qu8 h GLU 193 Ca 0.00 -0.18 0.06 0.00 0.34 0.00 0.00 59.36 59.58 2qu8 h GLU 193 Cb 0.26 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 28.64 2qu8 h GLU 193 CO 0.00 0.93 0.27 1.96 -1.16 0.00 0.00 179.01 181.01 2qu8 h GLN 194 N 1.19 0.50 -0.83 2.33 1.08 -1.92 -0.67 115.11 116.78 2qu8 h GLN 194 Ca 0.29 -0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.47 2qu8 h GLN 194 Cb 0.12 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.40 2qu8 h GLN 194 CO -0.04 0.33 0.54 0.00 -0.95 0.00 0.00 178.83 178.72 2qu8 h ALA 195 N 1.31 1.07 -0.59 3.87 0.00 -0.77 -1.63 119.26 122.52 2qu8 h ALA 195 Ca 0.25 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2qu8 h ALA 195 Cb 0.19 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2qu8 h ALA 195 CO -0.19 0.43 0.28 -0.22 0.00 0.00 0.00 179.25 179.54 2qu8 h LYS 196 N 1.09 0.86 -0.22 0.00 3.64 -0.88 -2.40 116.57 118.66 2qu8 h LYS 196 Ca 0.31 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2qu8 h LYS 196 Cb -0.08 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 2qu8 h LYS 196 CO -0.08 0.70 0.12 0.82 -2.27 0.00 0.00 179.45 178.74 2qu8 h ILE 197 N 0.81 1.11 -0.30 2.00 2.04 -0.76 -2.47 117.51 119.94 2qu8 h ILE 197 Ca 0.20 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.70 2qu8 h ILE 197 Cb 0.13 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 2qu8 h ILE 197 CO -0.02 0.11 -0.11 0.00 0.00 0.00 0.00 178.15 178.12 2qu8 h THR 198 N 0.25 1.23 0.23 -0.27 1.03 -1.24 -2.14 112.91 111.99 2qu8 h THR 198 Ca 0.08 -0.99 -0.00 0.00 -0.01 0.00 0.00 66.41 65.49 2qu8 h THR 198 Cb 0.06 1.12 -0.01 0.00 -1.07 0.00 0.00 68.15 68.25 2qu8 h THR 198 CO -0.01 0.32 -0.20 0.00 -0.01 0.00 0.00 175.52 175.63 2qu8 h ALA 199 N 1.43 -0.42 -0.14 0.00 0.00 -1.34 -1.31 119.26 117.47 2qu8 h ALA 199 Ca 0.09 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2qu8 h ALA 199 Cb 0.47 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2qu8 h ALA 199 CO 0.03 -0.76 -0.12 0.00 0.00 0.00 0.00 179.25 178.40 2qu8 h GLU 201 N -0.13 0.30 -0.64 0.00 3.07 -1.40 -1.17 114.58 114.61 2qu8 h GLU 201 Ca 0.09 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 2qu8 h GLU 201 Cb 0.27 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 2qu8 h GLU 201 CO -0.22 0.46 0.30 -0.07 -1.40 0.00 0.00 179.01 178.08 2qu8 h LEU 202 N 0.28 0.82 0.03 1.33 3.38 -0.82 -1.45 115.31 118.87 2qu8 h LEU 202 Ca 0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2qu8 h LEU 202 Cb 0.45 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2qu8 h LEU 202 CO 0.03 0.70 -0.01 0.25 0.09 0.00 0.00 178.44 179.50 2qu8 h LEU 203 N 0.91 -0.03 -0.05 1.67 6.46 -0.43 -2.17 115.31 121.67 2qu8 h LEU 203 Ca 0.22 -0.18 0.04 0.00 -0.12 0.00 0.00 57.88 57.84 2qu8 h LEU 203 Cb 0.10 0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 39.98 2qu8 h LEU 203 CO -0.03 0.17 -0.38 0.11 -0.62 0.00 0.00 178.44 177.69 2qu8 h LYS 204 N -0.23 -0.48 -0.91 1.25 1.79 -1.01 0.70 116.57 117.67 2qu8 h LYS 204 Ca -0.00 0.03 0.12 0.00 -2.18 0.00 0.00 60.65 58.62 2qu8 h LYS 204 Cb 0.21 0.11 -0.07 0.00 -1.58 0.00 0.00 32.23 30.90 2qu8 h LYS 204 CO 0.01 -0.32 0.58 -0.91 -1.08 0.00 0.00 179.45 177.73 2qu8 h ASN 205 N -0.50 0.76 -0.21 0.86 -0.26 -1.26 0.50 115.58 115.47 2qu8 h ASN 205 Ca 0.07 0.04 -0.08 0.00 -0.56 0.00 0.00 56.30 55.76 2qu8 h ASN 205 Cb 0.61 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 37.75 2qu8 h ASN 205 CO -0.33 0.41 -0.18 0.44 -1.06 0.00 0.00 177.43 176.71 2qu8 h ASP 206 N 0.82 0.53 -0.58 5.81 5.19 -0.72 -0.79 116.42 126.67 2qu8 h ASP 206 Ca 0.45 -0.46 0.08 0.00 -0.62 0.00 0.00 57.03 56.47 2qu8 h ASP 206 Cb 0.57 -0.15 -0.06 0.00 0.18 0.00 0.00 39.33 39.86 2qu8 h ASP 206 CO -0.21 0.88 0.25 1.56 -3.12 0.00 0.00 179.24 178.60 2qu8 h GLN 207 N 0.19 0.44 -0.03 3.56 4.20 -0.03 -0.08 115.11 123.36 2qu8 h GLN 207 Ca 0.04 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 2qu8 h GLN 207 Cb 0.72 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 2qu8 h GLN 207 CO 0.05 0.29 0.02 0.00 -0.67 0.00 0.00 178.83 178.51 2qu8 h ALA 208 N 1.37 0.04 -0.69 3.87 0.00 -0.87 -2.06 119.26 120.91 2qu8 h ALA 208 Ca 0.28 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2qu8 h ALA 208 Cb 0.30 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2qu8 h ALA 208 CO -0.26 -0.43 0.19 0.93 0.00 0.00 0.00 179.25 179.69 2qu8 h GLU 209 N -0.03 1.10 -0.21 0.00 4.39 -0.92 -2.99 114.58 115.91 2qu8 h GLU 209 Ca 0.01 -0.25 -0.16 0.00 0.34 0.00 0.00 59.36 59.30 2qu8 h GLU 209 Cb 0.07 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2qu8 h GLU 209 CO -0.00 0.96 -0.48 0.66 -1.16 0.00 0.00 179.01 178.98 2qu8 h SER 210 N 1.03 0.80 -0.36 1.42 4.64 -0.99 -2.86 113.55 117.23 2qu8 h SER 210 Ca 0.22 -0.56 -0.03 0.00 -0.47 0.00 0.00 61.79 60.95 2qu8 h SER 210 Cb 0.34 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2qu8 h SER 210 CO -0.00 1.21 0.15 -0.29 -0.87 0.00 0.00 176.83 177.03 2qu8 h ILE 211 N 0.42 1.17 -0.19 0.95 6.09 -1.41 -2.31 117.51 122.23 2qu8 h ILE 211 Ca -0.00 -0.55 -0.01 0.00 -1.37 0.00 0.00 64.86 62.94 2qu8 h ILE 211 Cb 1.09 0.69 -0.01 0.00 0.47 0.00 0.00 36.82 39.07 2qu8 h ILE 211 CO 0.11 0.21 0.09 0.25 -3.07 0.00 0.00 178.15 175.74 2qu8 h LEU 212 N 0.60 0.25 -1.12 2.19 5.85 -1.49 -0.18 115.31 121.40 2qu8 h LEU 212 Ca 0.14 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.80 2qu8 h LEU 212 Cb 0.15 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 2qu8 h LEU 212 CO -0.01 0.30 0.60 0.25 -0.34 0.00 0.00 178.44 179.24 2qu8 h LEU 213 N 0.18 0.95 -0.21 2.25 5.85 -1.25 0.32 115.31 123.40 2qu8 h LEU 213 Ca 0.07 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 2qu8 h LEU 213 Cb 0.12 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 2qu8 h LEU 213 CO -0.01 0.62 -0.14 0.44 -0.34 0.00 0.00 178.44 179.02 2qu8 h ASP 214 N 1.09 0.48 -0.43 1.25 3.45 -1.25 -1.70 116.42 119.31 2qu8 h ASP 214 Ca 0.39 -0.44 0.02 0.00 0.43 0.00 0.00 57.03 57.43 2qu8 h ASP 214 Cb 0.13 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 38.74 2qu8 h ASP 214 CO -0.14 0.82 0.25 1.56 -1.57 0.00 0.00 179.24 180.16 2qu8 h GLN 215 N 0.15 0.49 0.15 3.56 4.20 -0.45 -2.55 115.11 120.66 2qu8 h GLN 215 Ca 0.04 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2qu8 h GLN 215 Cb 0.65 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2qu8 h GLN 215 CO 0.04 0.32 -0.07 0.93 -0.67 0.00 0.00 178.83 179.38 2qu8 h GLU 216 N 0.50 -0.19 -0.87 1.46 5.08 -0.38 -2.33 114.58 117.85 2qu8 h GLU 216 Ca 0.17 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.63 2qu8 h GLU 216 Cb 0.01 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 2qu8 h GLU 216 CO -0.08 -0.10 0.53 1.96 -1.00 0.00 0.00 179.01 180.32 2qu8 h GLN 217 N -0.24 0.88 -0.54 2.33 4.20 -1.28 0.59 115.11 121.06 2qu8 h GLN 217 Ca -0.02 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.53 2qu8 h GLN 217 Cb 0.18 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 2qu8 h GLN 217 CO 0.03 0.58 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.61 2qu8 h LEU 218 N 0.91 1.01 -0.11 1.46 3.38 -1.36 -1.50 115.31 119.11 2qu8 h LEU 218 Ca 0.40 -0.33 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 2qu8 h LEU 218 Cb 0.29 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2qu8 h LEU 218 CO -0.22 1.11 -0.42 0.25 0.09 0.00 0.00 178.44 179.25 2qu8 h LEU 219 N 0.91 0.56 -1.71 1.67 5.85 -0.99 -1.94 115.31 119.65 2qu8 h LEU 219 Ca 0.14 -0.62 0.12 0.00 0.84 0.00 0.00 57.88 58.36 2qu8 h LEU 219 Cb 0.65 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 2qu8 h LEU 219 CO 0.05 1.09 0.41 0.78 -0.34 0.00 0.00 178.44 180.42 2qu8 h ASN 220 N 0.07 0.29 0.12 1.25 2.35 -0.87 0.11 115.58 118.90 2qu8 h ASN 220 Ca -0.02 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2qu8 h ASN 220 Cb 1.06 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.38 2qu8 h ASN 220 CO 0.09 0.16 -0.06 0.74 -1.65 0.00 0.00 177.43 176.72 2qu8 h THR 221 N 0.31 1.07 -0.72 2.81 2.02 -1.23 -3.27 112.91 113.90 2qu8 h THR 221 Ca 0.28 -0.84 0.12 0.00 0.77 0.00 0.00 66.41 66.74 2qu8 h THR 221 Cb 0.69 1.59 -0.08 0.00 -1.74 0.00 0.00 68.15 68.60 2qu8 h THR 221 CO -0.07 0.20 0.31 0.11 0.37 0.00 0.00 175.52 176.44 2qu8 h LYS 222 N -0.56 0.48 -0.01 6.66 6.56 -0.45 -3.51 116.57 125.74 2qu8 h LYS 222 Ca -0.02 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 2qu8 h LYS 222 Cb 0.45 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.00 2qu8 h LYS 222 CO 0.03 0.32 0.00 1.28 -2.06 0.00 0.00 179.45 179.01