#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ky8 n ASN -5 N 0.00 -1.88 0.07 1.62 5.03 -1.26 -4.90 115.26 113.95 3ky8 n ASN -5 Ca 0.00 -0.83 0.03 0.00 0.87 0.00 0.00 54.58 54.65 3ky8 n ASN -5 Cb 0.00 -4.09 0.41 0.00 -1.02 0.00 0.00 39.78 35.09 3ky8 n ASN -5 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3ky8 h LEU -4 N -1.82 0.33 -0.22 3.41 3.38 -2.03 -2.89 115.31 115.47 3ky8 h LEU -4 Ca -0.62 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 57.37 3ky8 h LEU -4 Cb 1.36 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.96 3ky8 h LEU -4 CO 0.55 0.36 -0.16 0.22 0.09 0.00 0.00 178.44 179.50 3ky8 h TYR -3 N 0.36 -0.39 0.00 1.13 3.20 -1.94 -1.50 116.97 117.82 3ky8 h TYR -3 Ca 0.09 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3ky8 h TYR -3 Cb 0.18 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 3ky8 h TYR -3 CO 0.00 -0.23 -0.07 0.74 -1.64 0.00 0.00 178.16 176.97 3ky8 h PHE -2 N -0.15 0.00 -0.13 -3.82 0.04 -1.91 0.16 116.94 111.13 3ky8 h PHE -2 Ca 0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.90 3ky8 h PHE -2 Cb 0.34 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.49 3ky8 h PHE -2 CO -0.31 0.07 0.00 1.04 -0.60 0.00 0.00 178.31 178.51 3ky8 n GLN -1 N -3.31 1.51 -0.06 1.51 1.13 -0.64 -5.18 117.38 112.32 3ky8 n GLN -1 Ca -0.01 -0.76 0.00 0.00 -1.94 0.00 0.00 57.00 54.29 3ky8 n GLN -1 Cb 0.25 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.26 3ky8 n GLN -1 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ky8 n GLY 0 N 1.01 0.73 0.00 1.08 0.00 0.04 -5.05 105.19 102.99 3ky8 n GLY 0 Ca 0.15 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3ky8 n GLY 0 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ky8 n ALA 2 N -0.03 0.00 -2.90 4.61 0.00 -0.56 -4.57 120.51 117.06 3ky8 n ALA 2 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 3ky8 n ALA 2 Cb 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.34 3ky8 n ALA 2 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3ky8 s ASN 3 N 0.00 5.48 -0.10 0.00 0.01 -1.26 -0.99 114.94 118.07 3ky8 s ASN 3 Ca 0.00 -0.38 0.03 0.00 -0.71 0.00 0.00 52.86 51.80 3ky8 s ASN 3 Cb 0.00 -1.99 0.01 0.00 0.41 0.00 0.00 41.25 39.68 3ky8 s ASN 3 CO 0.00 -0.13 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.62 3ky8 s ILE 4 N 1.63 1.81 -0.14 0.60 1.01 -0.07 -1.06 121.20 124.98 3ky8 s ILE 4 Ca 0.05 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 59.75 3ky8 s ILE 4 Cb -0.16 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 3ky8 s ILE 4 CO 0.06 0.50 0.17 -0.69 0.00 0.00 0.00 174.94 174.99 3ky8 s VAL 5 N 0.60 5.42 -0.27 2.92 1.01 -0.04 -0.57 120.40 129.48 3ky8 s VAL 5 Ca -0.14 0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 3ky8 s VAL 5 Cb -0.17 -3.47 0.11 0.00 0.00 0.00 0.00 36.38 32.85 3ky8 s VAL 5 CO 0.04 0.54 0.19 0.12 0.00 0.00 0.00 175.10 175.99 3ky8 s PHE 6 N -0.47 -0.03 -0.03 5.22 2.19 -1.26 -0.54 117.98 123.06 3ky8 s PHE 6 Ca 0.14 -0.44 -0.15 0.00 0.33 0.00 0.00 56.93 56.80 3ky8 s PHE 6 Cb -0.12 -0.66 0.03 0.00 -1.31 0.00 0.00 43.02 40.95 3ky8 s PHE 6 CO 0.03 -0.80 0.34 -1.50 1.83 0.00 0.00 175.22 175.12 3ky8 s ILE 7 N 2.22 0.05 -0.14 3.12 2.07 -0.79 -5.01 121.20 122.71 3ky8 s ILE 7 Ca 0.08 -0.39 -0.11 0.00 -1.41 0.00 0.00 60.65 58.83 3ky8 s ILE 7 Cb -0.15 -0.62 -0.05 0.00 0.13 0.00 0.00 42.46 41.77 3ky8 s ILE 7 CO -0.30 -0.21 0.22 0.00 -1.91 0.00 0.00 174.94 172.74 3ky8 s ALA 8 N -1.12 3.71 0.12 1.50 0.00 -1.26 -1.66 121.76 123.05 3ky8 s ALA 8 Ca -0.12 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.36 3ky8 s ALA 8 Cb -0.05 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 3ky8 s ALA 8 CO 0.04 0.30 -0.14 -0.08 0.00 0.00 0.00 175.76 175.88 3ky8 s THR 9 N -0.15 1.32 1.01 0.00 -1.32 -0.56 -4.57 115.64 111.36 3ky8 s THR 9 Ca 0.14 -1.74 -0.14 0.00 -1.21 0.00 0.00 61.69 58.75 3ky8 s THR 9 Cb -0.13 -1.55 0.19 0.00 -1.51 0.00 0.00 72.50 69.51 3ky8 s THR 9 CO 0.03 -0.44 1.12 -0.94 -2.21 0.00 0.00 174.62 172.19 3ky8 s SER 10 N -2.50 2.60 0.29 8.08 1.04 0.01 -0.94 113.70 122.27 3ky8 s SER 10 Ca 0.09 0.95 -0.03 0.00 0.48 0.00 0.00 55.95 57.45 3ky8 s SER 10 Cb -0.04 -1.48 0.41 0.00 0.10 0.00 0.00 66.02 65.01 3ky8 s SER 10 CO 0.03 -3.12 1.94 0.25 0.98 0.00 0.00 173.24 173.32 3ky8 h LEU 11 N -1.89 0.95 -1.63 2.42 5.85 -0.30 -2.01 115.31 118.70 3ky8 h LEU 11 Ca -0.51 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.16 3ky8 h LEU 11 Cb 1.32 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3ky8 h LEU 11 CO 0.54 0.73 0.00 -0.90 -0.34 0.00 0.00 178.44 178.47 3ky8 n ASP 12 N -4.38 2.39 0.00 1.25 5.75 -1.26 -4.93 116.55 115.37 3ky8 n ASP 12 Ca 0.09 -2.13 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 3ky8 n ASP 12 Cb 0.06 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 3ky8 n ASP 12 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ky8 n GLY 13 N 0.89 0.83 3.86 6.12 0.00 -0.75 -5.01 105.19 111.12 3ky8 n GLY 13 Ca 0.13 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3ky8 n GLY 13 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ky8 s TYR 14 N -2.00 3.62 -0.47 1.61 2.02 -1.26 -0.78 117.35 120.08 3ky8 s TYR 14 Ca 0.00 0.77 0.16 0.00 -0.37 0.00 0.00 57.07 57.63 3ky8 s TYR 14 Cb 0.00 -2.13 -0.20 0.00 -0.40 0.00 0.00 41.96 39.22 3ky8 s TYR 14 CO 0.00 0.58 0.55 0.44 -1.57 0.00 0.00 175.55 175.56 3ky8 n ILE 15 N 1.23 0.00 -3.99 2.71 -5.35 0.10 -0.81 119.36 113.25 3ky8 n ILE 15 Ca -0.11 -0.22 -0.08 0.00 -0.27 0.00 0.00 62.75 62.07 3ky8 n ILE 15 Cb 0.53 0.67 -0.09 0.00 -1.74 0.00 0.00 39.64 39.00 3ky8 n ILE 15 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ky8 s ALA 16 N -2.74 0.17 0.91 -1.28 0.00 -1.23 -4.93 121.76 112.67 3ky8 s ALA 16 Ca 0.01 -0.88 -0.08 0.00 0.00 0.00 0.00 51.96 51.01 3ky8 s ALA 16 Cb 0.11 0.31 0.14 0.00 0.00 0.00 0.00 23.12 23.68 3ky8 s ALA 16 CO 0.66 -0.38 0.83 -0.40 0.00 0.00 0.00 175.76 176.47 3ky8 n ASP 17 N 0.31 0.26 0.00 0.00 5.68 -0.74 -1.27 116.55 120.78 3ky8 n ASP 17 Ca -0.16 -1.42 0.07 0.00 -0.50 0.00 0.00 54.79 52.77 3ky8 n ASP 17 Cb 0.60 -0.61 0.31 0.00 -1.14 0.00 0.00 41.12 40.28 3ky8 n ASP 17 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3ky8 n LYS 18 N -2.70 0.08 -0.26 0.11 2.85 -1.25 -0.97 118.16 116.00 3ky8 n LYS 18 Ca 0.11 0.23 0.09 0.00 -1.05 0.00 0.00 58.31 57.69 3ky8 n LYS 18 Cb 0.38 -1.50 0.24 0.00 -0.65 0.00 0.00 35.03 33.50 3ky8 n LYS 18 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3ky8 n ARG 19 N -1.42 2.66 -1.18 -1.58 1.74 -1.26 -4.91 116.66 110.70 3ky8 n ARG 19 Ca 0.04 -2.34 -0.06 0.00 -0.77 0.00 0.00 57.85 54.72 3ky8 n ARG 19 Cb 0.14 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 3ky8 n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ky8 n GLY 20 N 1.19 0.83 3.99 -0.13 0.00 -0.14 -5.03 105.19 105.90 3ky8 n GLY 20 Ca 0.19 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 3ky8 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ky8 s LYS 21 N -2.18 3.08 -0.14 1.61 -0.14 -1.26 -4.76 119.74 115.96 3ky8 s LYS 21 Ca 0.00 -0.99 0.15 0.00 -1.36 0.00 0.00 55.97 53.78 3ky8 s LYS 21 Cb 0.00 -2.79 0.31 0.00 -1.68 0.00 0.00 37.83 33.67 3ky8 s LYS 21 CO 0.00 -0.01 1.16 1.28 -0.76 0.00 0.00 175.35 177.02 3ky8 n LEU 22 N -1.71 2.21 -0.01 3.17 4.77 -1.26 -1.80 117.00 122.37 3ky8 n LEU 22 Ca 0.01 -3.11 0.02 0.00 -0.03 0.00 0.00 56.01 52.90 3ky8 n LEU 22 Cb 0.58 -0.41 0.36 0.00 -2.33 0.00 0.00 43.42 41.62 3ky8 n LEU 22 CO 0.42 0.86 1.07 0.44 -1.33 0.00 0.00 177.39 178.85 3ky8 h ASP 23 N 0.32 0.50 -0.07 -1.43 3.32 -2.00 -1.66 116.42 115.40 3ky8 h ASP 23 Ca -0.01 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.01 3ky8 h ASP 23 Cb 1.07 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.49 3ky8 h ASP 23 CO 0.00 0.45 0.13 4.11 -1.72 0.00 0.00 179.24 182.22 3ky8 h TRP 24 N 0.56 0.00 -0.39 4.55 5.08 -2.03 0.14 115.95 123.86 3ky8 h TRP 24 Ca 0.14 0.00 0.08 0.00 1.08 0.00 0.00 58.89 60.19 3ky8 h TRP 24 Cb 0.11 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.25 3ky8 h TRP 24 CO 0.01 0.00 0.27 -0.07 -1.28 0.00 0.00 178.44 177.37 3ky8 h LEU 25 N 0.00 0.14 -0.12 0.11 3.38 -1.68 -0.72 115.31 116.43 3ky8 h LEU 25 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ky8 h LEU 25 Cb 0.29 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3ky8 h LEU 25 CO -0.00 0.09 0.00 1.41 0.09 0.00 0.00 178.44 180.03 3ky8 n HIS 26 N -4.46 0.04 0.26 1.13 8.25 0.47 -3.73 115.22 117.19 3ky8 n HIS 26 Ca 0.06 -0.02 0.15 0.00 -0.26 0.00 0.00 57.72 57.65 3ky8 n HIS 26 Cb 0.35 0.00 0.63 0.00 1.12 0.00 0.00 29.99 32.09 3ky8 n HIS 26 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3ky8 h SER 27 N 0.20 0.00 -3.32 0.41 4.64 -1.25 -3.41 113.55 110.81 3ky8 h SER 27 Ca 0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 3ky8 h SER 27 Cb 0.04 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 61.89 3ky8 h SER 27 CO 0.00 0.05 -0.72 -0.69 -0.87 0.00 0.00 176.83 174.60 3ky8 s VAL 28 N -3.67 3.42 0.31 0.95 1.01 -1.24 -5.11 120.40 116.07 3ky8 s VAL 28 Ca 0.01 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 3ky8 s VAL 28 Cb 0.09 -2.48 -0.10 0.00 0.00 0.00 0.00 36.38 33.89 3ky8 s VAL 28 CO 0.57 0.50 1.26 -2.16 0.00 0.00 0.00 175.10 175.27 3ky8 s PRO 29 N 0.51 4.42 -0.37 2.72 0.04 -1.26 -4.97 135.00 136.08 3ky8 s PRO 29 Ca -0.06 2.11 0.11 0.00 0.04 0.00 0.00 61.00 63.20 3ky8 s PRO 29 Cb -0.15 -3.11 0.33 0.00 0.04 0.00 0.00 34.50 31.61 3ky8 s PRO 29 CO 0.03 -0.10 0.68 -1.71 0.04 0.00 0.00 177.00 175.94 3ky8 n ASN 30 N 1.05 0.69 -0.25 6.66 5.15 -1.26 -4.99 115.26 122.31 3ky8 n ASN 30 Ca 0.00 -2.94 0.02 0.00 -0.60 0.00 0.00 54.58 51.07 3ky8 n ASN 30 Cb 0.42 -0.62 0.25 0.00 -0.53 0.00 0.00 39.78 39.30 3ky8 n ASN 30 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3ky8 h PRO 31 N 3.23 0.98 -0.55 1.20 0.13 -2.00 -2.53 132.00 132.44 3ky8 h PRO 31 Ca 0.09 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3ky8 h PRO 31 Cb 0.95 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3ky8 h PRO 31 CO 0.49 0.65 0.00 0.09 -0.23 0.00 0.00 178.00 179.00 3ky8 n ASN 32 N -4.45 2.77 -3.82 1.44 5.03 -1.26 -4.91 115.26 110.07 3ky8 n ASN 32 Ca 0.10 -2.21 -0.28 0.00 0.87 0.00 0.00 54.58 53.07 3ky8 n ASN 32 Cb 0.10 -0.41 0.04 0.00 -1.02 0.00 0.00 39.78 38.50 3ky8 n ASN 32 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3ky8 n ASN 33 N 0.56 -4.57 -4.75 6.41 5.03 -0.95 -4.92 115.26 112.08 3ky8 n ASN 33 Ca 0.14 -0.74 -0.41 0.00 0.87 0.00 0.00 54.58 54.44 3ky8 n ASN 33 Cb 0.52 -4.16 -0.02 0.00 -1.02 0.00 0.00 39.78 35.10 3ky8 n ASN 33 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3ky8 s VAL 34 N -3.36 2.48 0.02 2.41 1.01 -1.26 -4.97 120.40 116.73 3ky8 s VAL 34 Ca 0.55 0.41 -0.23 0.00 0.00 0.00 0.00 61.98 62.70 3ky8 s VAL 34 Cb -0.27 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 3ky8 s VAL 34 CO 0.81 0.06 0.70 -0.62 0.00 0.00 0.00 175.10 176.05 3ky8 s ASP 35 N 0.42 7.10 -0.28 3.32 2.15 -1.26 -4.98 116.67 123.14 3ky8 s ASP 35 Ca 0.61 1.32 0.08 0.00 0.43 0.00 0.00 52.55 54.98 3ky8 s ASP 35 Cb -0.44 -2.42 0.45 0.00 -0.30 0.00 0.00 42.92 40.21 3ky8 s ASP 35 CO 0.44 0.04 1.25 0.35 -0.17 0.00 0.00 175.17 177.08 3ky8 n THR 36 N 2.86 2.48 0.00 1.71 -2.24 -1.26 -4.94 114.28 112.89 3ky8 n THR 36 Ca -0.04 -3.80 0.00 0.00 -2.27 0.00 0.00 64.05 57.94 3ky8 n THR 36 Cb 0.51 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 3ky8 n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ky8 n GLY 37 N -0.86 1.81 0.23 3.38 0.00 -1.26 -5.04 105.19 103.45 3ky8 n GLY 37 Ca 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.30 3ky8 n GLY 37 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ky8 h PHE 38 N 0.00 0.77 -0.57 1.61 3.57 -1.99 -1.07 116.94 119.26 3ky8 h PHE 38 Ca 0.00 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 3ky8 h PHE 38 Cb 0.00 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.50 3ky8 h PHE 38 CO 0.00 0.70 0.32 0.28 -2.23 0.00 0.00 178.31 177.39 3ky8 h VAL 39 N 0.62 1.18 -0.32 1.41 2.07 -1.98 -2.94 116.25 116.28 3ky8 h VAL 39 Ca 0.15 -0.44 -0.18 0.00 0.82 0.00 0.00 66.70 67.05 3ky8 h VAL 39 Cb 0.32 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3ky8 h VAL 39 CO 0.00 0.19 -0.49 0.00 0.02 0.00 0.00 177.57 177.29 3ky8 h ALA 40 N 1.15 0.52 0.00 1.67 0.00 -1.97 -2.07 119.26 118.57 3ky8 h ALA 40 Ca 0.20 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3ky8 h ALA 40 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ky8 h ALA 40 CO -0.03 0.68 0.00 -0.11 0.00 0.00 0.00 179.25 179.79 3ky8 n LEU 41 N -4.02 0.00 0.00 0.00 7.94 -0.42 -1.59 117.00 118.91 3ky8 n LEU 41 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 3ky8 n LEU 41 Cb 0.60 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.55 3ky8 n LEU 41 CO 0.50 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.99 3ky8 n GLU 43 N 0.27 0.00 0.06 1.96 2.13 -0.78 -0.57 120.64 123.71 3ky8 n GLU 43 Ca 0.00 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.61 3ky8 n GLU 43 Cb 0.00 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.56 3ky8 n GLU 43 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 3ky8 h ARG 44 N 0.00 0.34 -7.13 5.31 2.43 -1.57 -3.47 114.38 110.29 3ky8 h ARG 44 Ca 0.00 -0.57 -0.48 0.00 -0.81 0.00 0.00 59.98 58.12 3ky8 h ARG 44 Cb 0.00 0.21 0.03 0.00 -0.42 0.00 0.00 29.97 29.80 3ky8 h ARG 44 CO 0.00 1.27 0.38 0.14 -1.51 0.00 0.00 179.97 180.25 3ky8 s VAL 45 N -2.46 3.93 -0.22 0.20 -7.23 0.26 -4.84 120.40 110.04 3ky8 s VAL 45 Ca -0.13 1.07 0.22 0.00 -1.81 0.00 0.00 61.98 61.34 3ky8 s VAL 45 Cb 0.01 -3.47 -0.08 0.00 0.56 0.00 0.00 36.38 33.41 3ky8 s VAL 45 CO 0.85 -0.39 0.93 0.47 -0.31 0.00 0.00 175.10 176.65 3ky8 n ASP 46 N -1.37 0.66 -3.83 4.85 8.00 0.16 -4.99 116.55 120.03 3ky8 n ASP 46 Ca 0.09 0.23 0.03 0.00 0.71 0.00 0.00 54.79 55.85 3ky8 n ASP 46 Cb 0.53 0.78 0.01 0.00 -0.02 0.00 0.00 41.12 42.42 3ky8 n ASP 46 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3ky8 s GLY 47 N -4.35 -0.22 0.06 0.44 0.00 -1.21 -4.25 107.32 97.79 3ky8 s GLY 47 Ca -0.02 0.22 0.09 0.00 0.00 0.00 0.00 44.72 45.02 3ky8 s GLY 47 CO 0.81 4.89 -0.26 1.08 0.00 0.00 0.00 173.10 179.62 3ky8 s LEU 48 N -3.69 2.19 0.06 0.66 1.02 -0.20 -1.21 118.68 117.51 3ky8 s LEU 48 Ca 0.27 -0.61 0.07 0.00 0.02 0.00 0.00 54.13 53.89 3ky8 s LEU 48 Cb 0.01 -1.24 -0.03 0.00 0.02 0.00 0.00 46.19 44.94 3ky8 s LEU 48 CO -0.02 0.24 -0.17 -0.69 0.02 0.00 0.00 176.35 175.73 3ky8 s VAL 49 N -0.84 2.90 0.45 -1.59 1.01 -0.49 -0.12 120.40 121.71 3ky8 s VAL 49 Ca 0.12 -1.22 0.05 0.00 0.00 0.00 0.00 61.98 60.92 3ky8 s VAL 49 Cb -0.10 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 3ky8 s VAL 49 CO 0.03 0.28 0.01 -0.83 0.00 0.00 0.00 175.10 174.58 3ky8 s GLY 51 N -1.62 2.70 0.28 4.51 0.00 -1.20 -0.87 107.32 111.12 3ky8 s GLY 51 Ca 0.16 -1.56 0.07 0.00 0.00 0.00 0.00 44.72 43.39 3ky8 s GLY 51 CO 0.07 -2.13 1.66 -0.09 0.00 0.00 0.00 173.10 172.61 3ky8 h ARG 52 N 1.62 0.21 -0.80 2.90 2.43 -1.97 -2.44 114.38 116.32 3ky8 h ARG 52 Ca -0.44 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 58.63 3ky8 h ARG 52 Cb 1.27 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.78 3ky8 h ARG 52 CO 0.78 0.64 0.53 -0.91 -1.51 0.00 0.00 179.97 179.50 3ky8 h ASN 53 N 0.17 0.92 -0.17 -3.80 -0.26 -1.99 0.51 115.58 110.95 3ky8 h ASN 53 Ca 0.01 -0.02 -0.13 0.00 -0.56 0.00 0.00 56.30 55.60 3ky8 h ASN 53 Cb 0.91 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.94 3ky8 h ASN 53 CO 0.07 0.66 -0.39 0.74 -1.06 0.00 0.00 177.43 177.45 3ky8 h THR 54 N 1.08 1.34 -0.30 2.81 2.02 -1.92 -3.23 112.91 114.71 3ky8 h THR 54 Ca 0.30 -1.65 0.05 0.00 0.77 0.00 0.00 66.41 65.88 3ky8 h THR 54 Cb -0.12 1.97 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 3ky8 h THR 54 CO -0.07 0.50 0.03 0.25 0.37 0.00 0.00 175.52 176.61 3ky8 h LEU 55 N 0.20 -0.05 -1.87 2.58 5.85 -1.09 -0.68 115.31 120.25 3ky8 h LEU 55 Ca -0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3ky8 h LEU 55 Cb 1.00 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.12 3ky8 h LEU 55 CO 0.09 0.01 0.00 0.47 -0.34 0.00 0.00 178.44 178.66 3ky8 n ASP 56 N -5.12 0.04 0.00 1.25 8.00 0.14 0.01 116.55 120.87 3ky8 n ASP 56 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.47 3ky8 n ASP 56 Cb 0.14 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 3ky8 n ASP 56 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3ky8 n VAL 58 N 0.93 0.00 -1.71 2.53 0.31 -0.26 -4.74 118.33 115.39 3ky8 n VAL 58 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 3ky8 n VAL 58 Cb 0.01 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.91 3ky8 n VAL 58 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3ky8 n LEU 59 N 0.00 3.86 -3.69 7.52 4.77 0.10 -4.87 117.00 124.69 3ky8 n LEU 59 Ca 0.00 1.05 -0.09 0.00 -0.03 0.00 0.00 56.01 56.94 3ky8 n LEU 59 Cb 0.00 -1.55 -0.02 0.00 -2.33 0.00 0.00 43.42 39.52 3ky8 n LEU 59 CO 0.00 0.11 0.43 -0.94 -1.33 0.00 0.00 177.39 175.66 3ky8 s SER 60 N 1.38 -0.38 0.32 -1.43 1.04 -1.26 -5.04 113.70 108.33 3ky8 s SER 60 Ca 0.77 -0.37 0.04 0.00 0.48 0.00 0.00 55.95 56.87 3ky8 s SER 60 Cb -0.53 0.67 0.53 0.00 0.10 0.00 0.00 66.02 66.79 3ky8 s SER 60 CO 0.34 -1.19 1.80 -0.26 0.98 0.00 0.00 173.24 174.91 3ky8 h PHE 61 N 2.01 0.47 -0.79 5.02 0.04 -2.00 -3.24 116.94 118.44 3ky8 h PHE 61 Ca -0.25 -0.08 -0.34 0.00 2.80 0.00 0.00 57.97 60.10 3ky8 h PHE 61 Cb 1.27 -0.12 -0.20 0.00 2.20 0.00 0.00 35.95 39.09 3ky8 h PHE 61 CO 0.35 0.59 0.43 -0.25 -0.60 0.00 0.00 178.31 178.83 3ky8 n ASP 62 N -4.19 4.09 -4.75 2.17 9.92 -1.26 -5.01 116.55 117.52 3ky8 n ASP 62 Ca 0.00 -3.28 -0.36 0.00 -0.53 0.00 0.00 54.79 50.62 3ky8 n ASP 62 Cb 0.34 -0.77 -0.07 0.00 -0.64 0.00 0.00 41.12 39.98 3ky8 n ASP 62 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ky8 s ASP 64 N 0.18 5.73 -0.11 0.00 1.01 -1.26 -4.98 116.67 117.24 3ky8 s ASP 64 Ca 0.17 -1.18 -0.36 0.00 0.71 0.00 0.00 52.55 51.89 3ky8 s ASP 64 Cb -0.13 -2.02 -0.14 0.00 1.01 0.00 0.00 42.92 41.64 3ky8 s ASP 64 CO 0.04 -0.45 1.77 1.87 0.21 0.00 0.00 175.17 178.61 3ky8 n TRP 65 N 4.99 2.18 1.39 4.23 -0.00 -1.26 -4.86 117.44 124.10 3ky8 n TRP 65 Ca -0.11 0.24 0.14 0.00 -0.00 0.00 0.00 57.50 57.76 3ky8 n TRP 65 Cb 0.45 -2.56 0.44 0.00 -0.00 0.00 0.00 31.31 29.64 3ky8 n TRP 65 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3ky8 n PRO 66 N 5.60 1.54 -4.33 5.87 -0.04 -1.26 -4.92 135.00 137.46 3ky8 n PRO 66 Ca 0.23 -0.95 -0.34 0.00 -0.04 0.00 0.00 63.50 62.40 3ky8 n PRO 66 Cb 0.23 -1.48 -0.12 0.00 -0.04 0.00 0.00 33.50 32.09 3ky8 n PRO 66 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3ky8 s TYR 67 N -2.12 3.03 -2.11 0.54 2.02 -1.26 -4.99 117.35 112.45 3ky8 s TYR 67 Ca 0.34 -0.34 0.28 0.00 -0.37 0.00 0.00 57.07 56.98 3ky8 s TYR 67 Cb 0.20 -1.98 0.97 0.00 -0.40 0.00 0.00 41.96 40.75 3ky8 s TYR 67 CO 0.38 -0.08 1.70 -1.13 -1.57 0.00 0.00 175.55 174.85 3ky8 n SER 68 N 3.67 1.18 -4.38 2.29 3.41 -1.26 -4.90 113.62 113.63 3ky8 n SER 68 Ca -0.17 -1.16 -0.20 0.00 -0.26 0.00 0.00 58.87 57.07 3ky8 n SER 68 Cb 0.52 0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 64.42 3ky8 n SER 68 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3ky8 s LYS 69 N -2.24 1.42 0.51 4.33 -0.14 -1.26 -5.11 119.74 117.25 3ky8 s LYS 69 Ca 0.32 -1.62 -0.23 0.00 -1.36 0.00 0.00 55.97 53.08 3ky8 s LYS 69 Cb 0.20 -1.32 -0.06 0.00 -1.68 0.00 0.00 37.83 34.97 3ky8 s LYS 69 CO 0.42 0.23 1.37 -2.14 -0.76 0.00 0.00 175.35 174.48 3ky8 s PRO 70 N -3.52 3.34 -0.28 -1.68 0.02 -1.26 -4.78 135.00 126.84 3ky8 s PRO 70 Ca 0.24 2.27 -0.07 0.00 0.02 0.00 0.00 61.00 63.47 3ky8 s PRO 70 Cb -0.02 -2.39 0.00 0.00 0.02 0.00 0.00 34.50 32.11 3ky8 s PRO 70 CO 0.09 -1.04 0.07 0.08 -0.33 0.00 0.00 177.00 175.86 3ky8 s VAL 71 N -1.28 3.95 -0.18 3.83 1.01 -0.89 -1.03 120.40 125.81 3ky8 s VAL 71 Ca 0.68 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.88 3ky8 s VAL 71 Cb -0.41 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 3ky8 s VAL 71 CO 0.50 0.15 0.46 -0.36 0.00 0.00 0.00 175.10 175.85 3ky8 s PHE 72 N 1.51 3.41 -0.16 5.22 0.08 0.83 -0.58 117.98 128.29 3ky8 s PHE 72 Ca 0.03 0.74 -0.01 0.00 0.12 0.00 0.00 56.93 57.81 3ky8 s PHE 72 Cb -0.17 -2.59 -0.01 0.00 -0.57 0.00 0.00 43.02 39.69 3ky8 s PHE 72 CO 0.02 -0.00 -0.11 0.08 -0.10 0.00 0.00 175.22 175.10 3ky8 s VAL 73 N 1.28 3.05 -0.63 -0.44 1.01 -0.16 -4.12 120.40 120.39 3ky8 s VAL 73 Ca 0.23 -0.64 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 3ky8 s VAL 73 Cb -0.15 -2.31 0.06 0.00 0.00 0.00 0.00 36.38 33.97 3ky8 s VAL 73 CO 0.09 0.50 0.98 -0.76 0.00 0.00 0.00 175.10 175.91 3ky8 s LEU 74 N 0.75 4.18 -0.07 3.92 1.43 -1.26 -1.58 118.68 126.05 3ky8 s LEU 74 Ca -0.05 -0.71 -0.03 0.00 -1.03 0.00 0.00 54.13 52.31 3ky8 s LEU 74 Cb -0.15 -2.58 0.04 0.00 0.03 0.00 0.00 46.19 43.53 3ky8 s LEU 74 CO 0.01 -1.39 0.15 -0.55 0.23 0.00 0.00 176.35 174.80 3ky8 s SER 75 N 3.37 0.12 0.08 2.29 0.15 -1.22 -4.10 113.70 114.40 3ky8 s SER 75 Ca 0.26 0.31 -0.07 0.00 0.70 0.00 0.00 55.95 57.15 3ky8 s SER 75 Cb -0.15 0.21 -0.24 0.00 -1.71 0.00 0.00 66.02 64.14 3ky8 s SER 75 CO 0.14 -0.17 1.17 0.78 1.20 0.00 0.00 173.24 176.35 3ky8 h ASN 76 N 7.55 0.55 0.00 5.45 4.21 -1.94 -3.43 115.58 127.98 3ky8 h ASN 76 Ca -0.35 -0.54 -0.01 0.00 1.21 0.00 0.00 56.30 56.62 3ky8 h ASN 76 Cb 1.13 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 38.16 3ky8 h ASN 76 CO 0.35 1.39 -0.00 0.41 -1.29 0.00 0.00 177.43 178.28 3ky8 n THR 77 N -3.64 1.26 0.00 2.81 -1.04 -1.26 -5.16 114.28 107.25 3ky8 n THR 77 Ca -0.09 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 3ky8 n THR 77 Cb 0.98 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 3ky8 n THR 77 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3ky8 n THR 79 N 1.74 0.00 -3.60 12.58 -1.04 -1.26 -5.25 114.28 117.45 3ky8 n THR 79 Ca 0.01 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.86 3ky8 n THR 79 Cb 0.32 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.76 3ky8 n THR 79 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 3ky8 s GLU 80 N -0.59 0.92 0.03 -2.82 -1.05 -1.26 -5.12 118.70 108.81 3ky8 s GLU 80 Ca 0.00 0.13 -0.21 0.00 -0.15 0.00 0.00 54.97 54.74 3ky8 s GLU 80 Cb 0.00 0.43 -0.06 0.00 -0.44 0.00 0.00 34.13 34.06 3ky8 s GLU 80 CO 0.00 -0.28 0.61 0.08 0.95 0.00 0.00 175.26 176.62 3ky8 s VAL 81 N -1.19 4.83 0.72 1.83 1.01 -1.26 -5.02 120.40 121.31 3ky8 s VAL 81 Ca -0.12 1.29 -0.15 0.00 0.00 0.00 0.00 61.98 63.00 3ky8 s VAL 81 Cb -0.02 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.45 3ky8 s VAL 81 CO 0.08 0.45 1.21 -2.16 0.00 0.00 0.00 175.10 174.68 3ky8 s PRO 82 N -0.45 2.21 0.18 2.72 0.04 -1.26 -4.74 135.00 133.70 3ky8 s PRO 82 Ca 0.31 1.76 -0.33 0.00 0.04 0.00 0.00 61.00 62.78 3ky8 s PRO 82 Cb -0.19 -1.84 -0.14 0.00 0.04 0.00 0.00 34.50 32.36 3ky8 s PRO 82 CO 0.18 -1.78 1.38 0.94 0.04 0.00 0.00 177.00 177.76 3ky8 n GLN 83 N -2.63 1.73 0.00 4.56 -0.06 -1.26 -1.67 117.38 118.05 3ky8 n GLN 83 Ca 0.13 0.62 0.00 0.00 -2.00 0.00 0.00 57.00 55.75 3ky8 n GLN 83 Cb 0.50 -2.26 0.00 0.00 -4.06 0.00 0.00 30.24 24.42 3ky8 n GLN 83 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3ky8 n GLY 84 N 2.45 1.00 0.00 1.69 0.00 -1.26 -4.88 105.19 104.19 3ky8 n GLY 84 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3ky8 n GLY 84 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ky8 n TYR 85 N -2.00 0.00 0.25 1.61 4.01 -0.67 -4.77 117.16 115.59 3ky8 n TYR 85 Ca 0.00 -0.36 0.12 0.00 -0.16 0.00 0.00 57.90 57.49 3ky8 n TYR 85 Cb 0.00 -0.04 0.63 0.00 -0.31 0.00 0.00 39.34 39.62 3ky8 n TYR 85 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3ky8 h GLU 86 N 0.00 0.00 -0.70 -0.72 3.07 -1.83 -1.03 114.58 113.37 3ky8 h GLU 86 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3ky8 h GLU 86 Cb 0.62 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 3ky8 h GLU 86 CO 0.00 0.16 0.00 -0.40 -1.40 0.00 0.00 179.01 177.37 3ky8 n ASP 87 N -3.54 4.16 -0.02 1.42 5.68 -1.26 -4.50 116.55 118.49 3ky8 n ASP 87 Ca -0.01 -2.13 -0.02 0.00 -0.50 0.00 0.00 54.79 52.13 3ky8 n ASP 87 Cb 0.31 -0.51 -0.04 0.00 -1.14 0.00 0.00 41.12 39.75 3ky8 n ASP 87 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3ky8 n LYS 88 N 1.46 3.21 -4.32 0.11 5.02 -0.66 -4.99 118.16 117.99 3ky8 n LYS 88 Ca 0.25 -0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.32 3ky8 n LYS 88 Cb 0.69 -1.12 -0.16 0.00 -0.02 0.00 0.00 35.03 34.42 3ky8 n LYS 88 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ky8 s VAL 89 N -2.11 0.74 -0.07 -0.18 1.01 -0.48 -2.09 120.40 117.22 3ky8 s VAL 89 Ca -0.02 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3ky8 s VAL 89 Cb 0.01 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.69 3ky8 s VAL 89 CO 0.19 0.26 -0.11 -0.36 0.00 0.00 0.00 175.10 175.08 3ky8 s PHE 90 N 0.74 1.37 0.11 5.22 0.40 0.26 -4.66 117.98 121.41 3ky8 s PHE 90 Ca -0.12 -0.51 -0.30 0.00 -0.60 0.00 0.00 56.93 55.40 3ky8 s PHE 90 Cb -0.14 -1.03 -0.06 0.00 0.51 0.00 0.00 43.02 42.30 3ky8 s PHE 90 CO 0.01 -0.29 1.02 -0.51 0.70 0.00 0.00 175.22 176.16 3ky8 s LEU 91 N 0.79 4.47 0.04 -0.37 1.43 -1.26 -0.99 118.68 122.79 3ky8 s LEU 91 Ca -0.12 1.87 0.06 0.00 -1.03 0.00 0.00 54.13 54.91 3ky8 s LEU 91 Cb -0.15 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 3ky8 s LEU 91 CO 0.02 -0.17 -0.18 0.68 0.23 0.00 0.00 176.35 176.93 3ky8 s VAL 92 N 0.19 1.48 0.01 -1.59 -7.23 -0.61 -4.87 120.40 107.79 3ky8 s VAL 92 Ca 0.49 -1.13 0.02 0.00 -1.81 0.00 0.00 61.98 59.55 3ky8 s VAL 92 Cb -0.25 -1.30 -0.01 0.00 0.56 0.00 0.00 36.38 35.38 3ky8 s VAL 92 CO 0.31 0.14 -0.05 -1.59 -0.31 0.00 0.00 175.10 173.60 3ky8 s LYS 93 N -1.15 0.40 0.00 4.82 -2.85 -1.26 -3.38 119.74 116.32 3ky8 s LYS 93 Ca 0.06 -0.36 0.00 0.00 -1.00 0.00 0.00 55.97 54.66 3ky8 s LYS 93 Cb -0.08 -0.30 0.00 0.00 -2.06 0.00 0.00 37.83 35.39 3ky8 s LYS 93 CO 0.02 0.07 0.00 0.41 0.10 0.00 0.00 175.35 175.95 3ky8 n GLY 94 N 2.43 0.67 3.75 0.59 0.00 -1.26 -4.82 105.19 106.55 3ky8 n GLY 94 Ca -0.16 -2.07 -0.40 0.00 0.00 0.00 0.00 46.02 43.39 3ky8 n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ky8 s LYS 95 N -0.82 4.72 0.24 1.61 1.02 -1.26 -4.90 119.74 120.34 3ky8 s LYS 95 Ca 0.00 1.66 -0.05 0.00 0.02 0.00 0.00 55.97 57.60 3ky8 s LYS 95 Cb 0.00 -3.24 0.42 0.00 -0.52 0.00 0.00 37.83 34.49 3ky8 s LYS 95 CO 0.00 0.31 1.74 -0.07 -0.92 0.00 0.00 175.35 176.41 3ky8 h LEU 96 N 4.18 0.31 -0.49 3.17 3.38 -1.98 0.26 115.31 124.14 3ky8 h LEU 96 Ca -0.46 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 3ky8 h LEU 96 Cb 1.21 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 3ky8 h LEU 96 CO 0.68 0.14 0.30 0.58 0.09 0.00 0.00 178.44 180.23 3ky8 h VAL 97 N 0.47 1.15 -0.41 1.22 2.07 -1.99 0.80 116.25 119.56 3ky8 h VAL 97 Ca 0.39 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3ky8 h VAL 97 Cb 0.56 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3ky8 h VAL 97 CO -0.37 0.15 0.26 0.44 0.02 0.00 0.00 177.57 178.07 3ky8 h ASP 98 N 0.65 0.48 -0.52 0.57 3.32 -1.77 0.21 116.42 119.36 3ky8 h ASP 98 Ca 0.18 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3ky8 h ASP 98 Cb -0.02 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 3ky8 h ASP 98 CO -0.03 0.36 0.32 0.40 -1.72 0.00 0.00 179.24 178.57 3ky8 h ILE 99 N 0.55 1.15 -0.40 0.35 2.04 -0.33 -0.21 117.51 120.67 3ky8 h ILE 99 Ca 0.15 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 3ky8 h ILE 99 Cb -0.04 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 3ky8 h ILE 99 CO -0.03 0.15 -0.03 0.40 0.00 0.00 0.00 178.15 178.64 3ky8 h ILE 100 N 0.70 1.27 -0.94 -0.67 2.04 -0.73 -1.18 117.51 118.00 3ky8 h ILE 100 Ca 0.19 -1.07 0.03 0.00 1.00 0.00 0.00 64.86 65.01 3ky8 h ILE 100 Cb -0.03 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 3ky8 h ILE 100 CO -0.04 0.36 0.61 0.00 0.00 0.00 0.00 178.15 179.09 3ky8 h ALA 101 N 0.87 1.23 -0.03 1.87 0.00 -0.60 -0.41 119.26 122.19 3ky8 h ALA 101 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3ky8 h ALA 101 Cb 0.52 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3ky8 h ALA 101 CO 0.03 0.51 -0.01 0.22 0.00 0.00 0.00 179.25 179.99 3ky8 h ASP 102 N 1.20 0.06 -0.44 0.00 3.58 -0.84 -1.36 116.42 118.62 3ky8 h ASP 102 Ca 0.37 -0.41 0.05 0.00 0.42 0.00 0.00 57.03 57.46 3ky8 h ASP 102 Cb -0.03 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 40.95 3ky8 h ASP 102 CO -0.11 0.45 0.18 -0.07 -2.88 0.00 0.00 179.24 176.81 3ky8 h LEU 103 N -0.34 0.23 -0.86 2.28 3.38 -1.05 -2.61 115.31 116.34 3ky8 h LEU 103 Ca 0.01 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3ky8 h LEU 103 Cb 0.43 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 3ky8 h LEU 103 CO 0.00 0.17 0.56 0.78 0.09 0.00 0.00 178.44 180.04 3ky8 h ASN 104 N 0.37 0.94 -0.10 -0.43 -0.26 -0.95 -0.26 115.58 114.89 3ky8 h ASN 104 Ca 0.20 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.91 3ky8 h ASN 104 Cb 0.16 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 3ky8 h ASN 104 CO -0.18 0.66 0.02 0.00 -1.06 0.00 0.00 177.43 176.86 3ky8 h ALA 105 N 1.34 1.71 -0.03 -0.83 0.00 -1.04 -0.98 119.26 119.43 3ky8 h ALA 105 Ca 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3ky8 h ALA 105 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ky8 h ALA 105 CO -0.10 0.23 0.00 1.63 0.00 0.00 0.00 179.25 181.01 3ky8 n LYS 106 N -4.41 1.39 -0.17 0.00 5.02 -0.75 -4.92 118.16 114.32 3ky8 n LYS 106 Ca -0.00 -0.57 0.00 0.00 -2.02 0.00 0.00 58.31 55.72 3ky8 n LYS 106 Cb 0.16 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 3ky8 n LYS 106 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ky8 n GLY 107 N 1.07 0.89 3.37 0.72 0.00 -0.37 -5.02 105.19 105.85 3ky8 n GLY 107 Ca 0.20 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 3ky8 n GLY 107 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ky8 s PHE 108 N -2.03 3.81 -0.23 1.61 0.08 -0.18 -4.81 117.98 116.22 3ky8 s PHE 108 Ca 0.00 -2.16 0.07 0.00 0.12 0.00 0.00 56.93 54.95 3ky8 s PHE 108 Cb 0.00 -3.97 -0.20 0.00 -0.57 0.00 0.00 43.02 38.28 3ky8 s PHE 108 CO 0.00 -1.11 -0.11 0.09 -0.10 0.00 0.00 175.22 173.99 3ky8 n ASN 109 N 4.17 1.39 -4.38 1.36 5.03 -1.26 -2.94 115.26 118.63 3ky8 n ASN 109 Ca 0.22 -0.08 -0.40 0.00 0.87 0.00 0.00 54.58 55.19 3ky8 n ASN 109 Cb 0.44 -0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 39.08 3ky8 n ASN 109 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3ky8 s GLU 110 N -2.51 2.86 -0.08 3.52 2.02 -1.26 -1.50 118.70 121.74 3ky8 s GLU 110 Ca -0.27 -1.06 0.04 0.00 0.02 0.00 0.00 54.97 53.70 3ky8 s GLU 110 Cb 0.08 -3.71 -0.01 0.00 0.10 0.00 0.00 34.13 30.59 3ky8 s GLU 110 CO 0.68 -0.68 -0.20 -0.51 0.02 0.00 0.00 175.26 174.57 3ky8 s LEU 111 N 1.55 2.37 -0.56 1.80 1.43 -0.17 0.35 118.68 125.47 3ky8 s LEU 111 Ca 0.02 -0.41 -0.20 0.00 -1.03 0.00 0.00 54.13 52.51 3ky8 s LEU 111 Cb -0.19 -1.48 0.07 0.00 0.03 0.00 0.00 46.19 44.63 3ky8 s LEU 111 CO 0.06 0.23 0.72 -0.47 0.23 0.00 0.00 176.35 177.12 3ky8 s TYR 112 N -0.04 2.97 -0.23 0.29 5.04 -0.35 -0.89 117.35 124.15 3ky8 s TYR 112 Ca -0.06 -0.65 -0.23 0.00 -2.44 0.00 0.00 57.07 53.69 3ky8 s TYR 112 Cb -0.15 -3.84 -0.01 0.00 0.35 0.00 0.00 41.96 38.31 3ky8 s TYR 112 CO 0.05 -1.23 0.74 0.42 -1.34 0.00 0.00 175.55 174.19 3ky8 s ILE 113 N 2.92 4.92 0.04 3.14 -1.09 0.27 -1.40 121.20 130.00 3ky8 s ILE 113 Ca 0.16 1.39 0.03 0.00 -2.23 0.00 0.00 60.65 60.00 3ky8 s ILE 113 Cb -0.20 -4.04 -0.02 0.00 -1.58 0.00 0.00 42.46 36.62 3ky8 s ILE 113 CO 0.10 0.01 -0.11 -0.62 -1.23 0.00 0.00 174.94 173.09 3ky8 s ASP 114 N 1.32 1.23 0.00 3.58 2.15 -0.05 -4.41 116.67 120.48 3ky8 s ASP 114 Ca 0.32 -0.46 0.00 0.00 0.43 0.00 0.00 52.55 52.84 3ky8 s ASP 114 Cb -0.16 -0.04 0.00 0.00 -0.30 0.00 0.00 42.92 42.42 3ky8 s ASP 114 CO 0.09 -0.06 0.00 0.61 -0.17 0.00 0.00 175.17 175.64 3ky8 n GLY 115 N 1.81 2.45 0.05 2.66 0.00 -1.26 -3.22 105.19 107.68 3ky8 n GLY 115 Ca -0.19 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 3ky8 n GLY 115 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ky8 h GLY 116 N 0.00 0.05 1.07 -0.02 0.00 -1.87 0.11 103.07 102.40 3ky8 h GLY 116 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 3ky8 h GLY 116 CO 0.00 0.02 0.09 -2.08 0.00 0.00 0.00 176.54 174.57 3ky8 h VAL 117 N 0.02 1.26 -0.07 4.60 2.07 -1.88 -0.15 116.25 122.10 3ky8 h VAL 117 Ca 0.01 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 3ky8 h VAL 117 Cb 0.02 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3ky8 h VAL 117 CO -0.00 0.39 -0.00 0.74 0.02 0.00 0.00 177.57 178.72 3ky8 h THR 118 N 1.01 1.26 -0.37 2.57 2.02 -1.78 -0.35 112.91 117.27 3ky8 h THR 118 Ca 0.20 -0.80 0.02 0.00 0.77 0.00 0.00 66.41 66.60 3ky8 h THR 118 Cb 0.46 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 3ky8 h THR 118 CO 0.02 0.22 0.19 0.40 0.37 0.00 0.00 175.52 176.72 3ky8 h ILE 119 N -0.16 1.00 -0.74 3.11 2.04 -0.74 -0.27 117.51 121.74 3ky8 h ILE 119 Ca 0.02 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 65.80 3ky8 h ILE 119 Cb 0.35 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 3ky8 h ILE 119 CO 0.00 0.07 0.44 1.56 0.00 0.00 0.00 178.15 180.23 3ky8 h GLN 120 N 0.40 0.79 -0.49 2.37 4.20 -0.87 -0.17 115.11 121.33 3ky8 h GLN 120 Ca 0.15 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 3ky8 h GLN 120 Cb 0.04 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 3ky8 h GLN 120 CO -0.09 0.52 -0.05 -0.91 -0.67 0.00 0.00 178.83 177.62 3ky8 h ASN 121 N 0.81 0.90 -0.28 1.46 2.35 -0.48 -0.91 115.58 119.43 3ky8 h ASN 121 Ca 0.33 -0.33 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 3ky8 h ASN 121 Cb 0.17 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.25 3ky8 h ASN 121 CO -0.17 1.02 0.02 -0.26 -1.65 0.00 0.00 177.43 176.38 3ky8 h PHE 122 N 0.76 0.02 -0.66 1.19 -1.00 -0.64 -2.88 116.94 113.73 3ky8 h PHE 122 Ca 0.13 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.93 3ky8 h PHE 122 Cb 0.59 0.03 -0.03 0.00 3.61 0.00 0.00 35.95 40.15 3ky8 h PHE 122 CO 0.04 -0.03 0.42 -0.07 -1.61 0.00 0.00 178.31 177.07 3ky8 h LEU 123 N 0.10 0.77 -1.63 1.54 3.38 -0.82 0.33 115.31 118.98 3ky8 h LEU 123 Ca 0.13 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ky8 h LEU 123 Cb 0.16 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3ky8 h LEU 123 CO -0.21 0.57 0.00 0.11 0.09 0.00 0.00 178.44 179.01 3ky8 h LYS 124 N 0.90 0.00 -0.23 1.13 1.57 -0.95 -1.36 116.57 117.63 3ky8 h LYS 124 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3ky8 h LYS 124 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3ky8 h LYS 124 CO -0.05 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.22 3ky8 n GLU 125 N -2.64 2.55 -3.44 3.15 1.02 -0.60 -4.92 120.64 115.76 3ky8 n GLU 125 Ca -0.00 -1.81 -0.17 0.00 -0.02 0.00 0.00 57.16 55.16 3ky8 n GLU 125 Cb 0.16 -1.20 0.08 0.00 -0.02 0.00 0.00 31.44 30.46 3ky8 n GLU 125 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3ky8 n ASP 126 N 0.31 -2.26 -0.60 1.62 2.03 -0.51 -4.94 116.55 112.20 3ky8 n ASP 126 Ca 0.08 -0.64 0.07 0.00 0.52 0.00 0.00 54.79 54.82 3ky8 n ASP 126 Cb 0.36 -5.05 0.08 0.00 -0.72 0.00 0.00 41.12 35.79 3ky8 n ASP 126 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3ky8 n LEU 127 N -4.09 2.31 -4.66 -2.67 4.77 -0.01 -4.93 117.00 107.71 3ky8 n LEU 127 Ca -0.28 -1.11 -0.39 0.00 -0.03 0.00 0.00 56.01 54.20 3ky8 n LEU 127 Cb 0.67 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.66 3ky8 n LEU 127 CO 0.61 0.44 0.25 -0.63 -1.33 0.00 0.00 177.39 176.74 3ky8 s ILE 128 N -1.17 5.10 -0.14 -0.08 -1.09 -1.26 -4.52 121.20 118.03 3ky8 s ILE 128 Ca 0.18 0.98 0.05 0.00 -2.23 0.00 0.00 60.65 59.63 3ky8 s ILE 128 Cb 0.12 -3.85 -0.23 0.00 -1.58 0.00 0.00 42.46 36.92 3ky8 s ILE 128 CO 0.18 0.17 0.27 0.47 -1.23 0.00 0.00 174.94 174.80 3ky8 n ASP 129 N 4.83 1.33 -1.12 3.58 8.00 -0.23 -4.65 116.55 128.29 3ky8 n ASP 129 Ca -0.04 0.15 -0.01 0.00 0.71 0.00 0.00 54.79 55.60 3ky8 n ASP 129 Cb 0.50 -0.18 -0.00 0.00 -0.02 0.00 0.00 41.12 41.42 3ky8 n ASP 129 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ky8 n GLU 130 N -3.17 0.03 -3.46 -1.24 1.02 -1.06 -1.40 120.64 111.35 3ky8 n GLU 130 Ca -0.31 -0.17 0.01 0.00 -0.02 0.00 0.00 57.16 56.67 3ky8 n GLU 130 Cb 1.06 0.15 -0.03 0.00 -0.02 0.00 0.00 31.44 32.59 3ky8 n GLU 130 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ky8 s VAL 132 N -2.16 -0.88 -0.16 2.62 1.01 0.30 -0.86 120.40 120.26 3ky8 s VAL 132 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.01 3ky8 s VAL 132 Cb 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.39 3ky8 s VAL 132 CO 0.01 0.00 -0.17 -0.63 0.00 0.00 0.00 175.10 174.31 3ky8 s ILE 133 N 2.82 2.42 -0.38 2.22 1.01 -0.45 -1.89 121.20 126.94 3ky8 s ILE 133 Ca 0.01 -0.84 -0.12 0.00 0.00 0.00 0.00 60.65 59.70 3ky8 s ILE 133 Cb -0.12 -2.01 0.03 0.00 0.01 0.00 0.00 42.46 40.36 3ky8 s ILE 133 CO -0.19 0.52 0.23 -0.89 0.00 0.00 0.00 174.94 174.61 3ky8 s THR 134 N 1.00 4.72 -0.23 2.92 2.01 -0.67 -1.61 115.64 123.78 3ky8 s THR 134 Ca -0.02 -0.81 -0.10 0.00 0.31 0.00 0.00 61.69 61.07 3ky8 s THR 134 Cb -0.15 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 3ky8 s THR 134 CO -0.04 -0.25 0.14 -0.60 -0.69 0.00 0.00 174.62 173.18 3ky8 s ARG 135 N 1.58 4.02 -0.03 4.92 3.52 0.73 -1.50 118.95 132.19 3ky8 s ARG 135 Ca 0.03 -0.30 -0.11 0.00 -0.13 0.00 0.00 55.73 55.22 3ky8 s ARG 135 Cb -0.19 -3.48 -0.05 0.00 -1.56 0.00 0.00 34.95 29.67 3ky8 s ARG 135 CO 0.07 0.07 0.31 -0.06 -0.81 0.00 0.00 175.30 174.89 3ky8 s PHE 136 N 1.02 3.66 -0.33 5.12 0.40 -0.12 -2.69 117.98 125.04 3ky8 s PHE 136 Ca 0.07 0.80 -0.07 0.00 -0.60 0.00 0.00 56.93 57.13 3ky8 s PHE 136 Cb -0.14 -2.14 -0.23 0.00 0.51 0.00 0.00 43.02 41.02 3ky8 s PHE 136 CO 0.04 0.66 3.45 -0.35 0.70 0.00 0.00 175.22 179.72 3ky8 n PRO 137 N 1.71 2.32 -4.20 0.24 -0.04 -1.26 -1.83 135.00 131.93 3ky8 n PRO 137 Ca -0.15 -1.23 -0.19 0.00 -0.04 0.00 0.00 63.50 61.89 3ky8 n PRO 137 Cb 0.53 -2.16 -0.16 0.00 -0.04 0.00 0.00 33.50 31.68 3ky8 n PRO 137 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3ky8 s ILE 138 N 1.27 0.53 -0.39 0.52 2.07 -1.26 -4.97 121.20 118.97 3ky8 s ILE 138 Ca 0.67 -0.19 -0.20 0.00 -1.41 0.00 0.00 60.65 59.52 3ky8 s ILE 138 Cb 0.29 -0.52 0.01 0.00 0.13 0.00 0.00 42.46 42.37 3ky8 s ILE 138 CO -0.01 0.20 0.60 -0.76 -1.91 0.00 0.00 174.94 173.05 3ky8 s LEU 139 N 0.48 4.42 0.09 8.50 1.43 -1.26 -1.04 118.68 131.30 3ky8 s LEU 139 Ca -0.06 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3ky8 s LEU 139 Cb -0.10 -2.69 -0.26 0.00 0.03 0.00 0.00 46.19 43.17 3ky8 s LEU 139 CO 0.00 -0.65 1.19 -0.07 0.23 0.00 0.00 176.35 177.05 3ky8 h LEU 140 N 9.43 0.29 0.17 1.79 3.38 -1.97 -3.48 115.31 124.91 3ky8 h LEU 140 Ca -0.26 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.33 3ky8 h LEU 140 Cb 1.11 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 3ky8 h LEU 140 CO 0.84 1.24 -0.06 0.61 0.09 0.00 0.00 178.44 181.16 3ky8 n GLY 141 N 1.47 0.65 0.00 0.83 0.00 -1.26 -4.90 105.19 101.98 3ky8 n GLY 141 Ca -0.06 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3ky8 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ky8 n GLY 142 N -2.19 3.08 0.00 -0.02 0.00 -1.26 -5.09 105.19 99.71 3ky8 n GLY 142 Ca -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3ky8 n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ky8 n GLY 143 N -1.11 0.79 3.52 -0.02 0.00 -1.26 -3.90 105.19 103.21 3ky8 n GLY 143 Ca 0.00 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 3ky8 n GLY 143 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ky8 s VAL 144 N -3.50 5.24 0.35 1.61 1.01 -0.40 -4.86 120.40 119.85 3ky8 s VAL 144 Ca 0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 61.98 61.51 3ky8 s VAL 144 Cb 0.00 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 3ky8 s VAL 144 CO 0.00 -0.09 1.21 -2.16 0.00 0.00 0.00 175.10 174.05 3ky8 s PRO 145 N 1.83 4.31 0.01 2.72 0.04 -1.26 0.03 135.00 142.67 3ky8 s PRO 145 Ca 0.08 1.98 -0.24 0.00 0.04 0.00 0.00 61.00 62.86 3ky8 s PRO 145 Cb -0.17 -2.95 -0.18 0.00 0.04 0.00 0.00 34.50 31.24 3ky8 s PRO 145 CO 0.11 -0.14 1.35 1.25 0.04 0.00 0.00 177.00 179.60 3ky8 h LEU 146 N 3.20 0.10 -9.74 -3.56 5.85 -1.29 -3.44 115.31 106.44 3ky8 h LEU 146 Ca -0.48 -0.43 -0.54 0.00 0.84 0.00 0.00 57.88 57.27 3ky8 h LEU 146 Cb 1.23 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 42.16 3ky8 h LEU 146 CO 0.65 0.50 -0.58 -0.36 -0.34 0.00 0.00 178.44 178.31 3ky8 s PHE 147 N -4.51 2.98 0.00 1.25 0.08 -1.26 -4.58 117.98 111.94 3ky8 s PHE 147 Ca -0.15 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 56.77 3ky8 s PHE 147 Cb 0.03 -1.37 0.00 0.00 -0.57 0.00 0.00 43.02 41.12 3ky8 s PHE 147 CO 0.69 0.54 0.00 0.41 -0.10 0.00 0.00 175.22 176.77 3ky8 n GLY 148 N -0.81 5.40 3.96 4.36 0.00 -1.26 -5.09 105.19 111.75 3ky8 n GLY 148 Ca -0.08 -1.31 -0.22 0.00 0.00 0.00 0.00 46.02 44.41 3ky8 n GLY 148 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ky8 s GLU 149 N 4.03 3.44 0.00 1.61 8.01 -1.26 -5.12 118.70 129.41 3ky8 s GLU 149 Ca 0.00 -0.72 -0.08 0.00 0.01 0.00 0.00 54.97 54.19 3ky8 s GLU 149 Cb 0.00 -2.91 0.00 0.00 -4.31 0.00 0.00 34.13 26.91 3ky8 s GLU 149 CO 0.00 0.45 0.15 -0.51 0.01 0.00 0.00 175.26 175.36 3ky8 s LEU 150 N -3.78 1.50 0.18 1.80 1.43 -1.26 -4.78 118.68 113.77 3ky8 s LEU 150 Ca 0.34 -0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.14 3ky8 s LEU 150 Cb -0.10 0.72 0.09 0.00 0.03 0.00 0.00 46.19 46.94 3ky8 s LEU 150 CO 0.29 -0.37 1.78 -0.08 0.23 0.00 0.00 176.35 178.20 3ky8 h GLU 151 N 4.26 0.88 -3.78 1.70 4.81 -1.95 -3.45 114.58 117.04 3ky8 h GLU 151 Ca -0.31 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 58.72 3ky8 h GLU 151 Cb 1.19 -0.17 -0.15 0.00 0.63 0.00 0.00 28.75 30.26 3ky8 h GLU 151 CO 0.40 0.68 -0.39 -1.12 -0.73 0.00 0.00 179.01 177.85 3ky8 s SER 152 N -5.97 0.12 0.59 1.04 0.01 -1.26 -5.14 113.70 103.09 3ky8 s SER 152 Ca -0.13 -0.62 -0.20 0.00 1.31 0.00 0.00 55.95 56.32 3ky8 s SER 152 Cb 0.13 0.32 -0.03 0.00 0.21 0.00 0.00 66.02 66.65 3ky8 s SER 152 CO 0.78 -0.69 1.29 -0.94 0.41 0.00 0.00 173.24 174.09 3ky8 s SER 153 N -2.72 5.05 -0.16 2.44 1.04 -1.26 -5.02 113.70 113.08 3ky8 s SER 153 Ca 0.03 2.60 0.01 0.00 0.48 0.00 0.00 55.95 59.07 3ky8 s SER 153 Cb 0.04 -2.62 0.02 0.00 0.10 0.00 0.00 66.02 63.56 3ky8 s SER 153 CO -0.10 -1.70 -0.16 -0.76 0.98 0.00 0.00 173.24 171.50 3ky8 s LEU 154 N -3.93 1.80 0.06 2.42 1.43 -1.26 -5.14 118.68 114.07 3ky8 s LEU 154 Ca 0.77 -0.53 -0.08 0.00 -1.03 0.00 0.00 54.13 53.25 3ky8 s LEU 154 Cb -0.36 -1.26 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 3ky8 s LEU 154 CO 0.40 -0.04 0.36 -0.44 0.23 0.00 0.00 176.35 176.86 3ky8 s SER 155 N 1.42 6.58 0.15 2.29 0.01 -1.26 -5.05 113.70 117.84 3ky8 s SER 155 Ca 0.05 0.70 0.04 0.00 1.31 0.00 0.00 55.95 58.05 3ky8 s SER 155 Cb -0.13 -2.14 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 3ky8 s SER 155 CO -0.11 0.18 -0.08 -0.36 0.41 0.00 0.00 173.24 173.28 3ky8 s PHE 156 N -1.39 1.26 0.05 2.43 0.40 -1.26 -1.27 117.98 118.19 3ky8 s PHE 156 Ca 0.32 -0.80 -0.03 0.00 -0.60 0.00 0.00 56.93 55.82 3ky8 s PHE 156 Cb -0.14 -0.66 -0.04 0.00 0.51 0.00 0.00 43.02 42.69 3ky8 s PHE 156 CO 0.18 0.03 0.25 -0.80 0.70 0.00 0.00 175.22 175.58 3ky8 s ASN 157 N -3.17 6.42 -0.34 1.36 0.01 0.22 -4.76 114.94 114.67 3ky8 s ASN 157 Ca 0.18 0.41 -0.19 0.00 -0.71 0.00 0.00 52.86 52.55 3ky8 s ASN 157 Cb 0.03 -2.02 -0.00 0.00 0.41 0.00 0.00 41.25 39.67 3ky8 s ASN 157 CO 0.01 0.19 0.55 -0.69 -1.51 0.00 0.00 177.10 175.65 3ky8 s VAL 158 N -1.44 4.98 -0.07 1.60 1.01 -1.26 -1.77 120.40 123.45 3ky8 s VAL 158 Ca 0.33 0.47 -0.04 0.00 0.00 0.00 0.00 61.98 62.74 3ky8 s VAL 158 Cb -0.13 -3.99 -0.27 0.00 0.00 0.00 0.00 36.38 31.99 3ky8 s VAL 158 CO 0.22 -0.22 0.58 0.40 0.00 0.00 0.00 175.10 176.08 3ky8 h ILE 159 N 5.61 0.83 -1.82 2.22 1.08 -1.41 -3.49 117.51 120.53 3ky8 h ILE 159 Ca -0.27 -2.52 0.00 0.00 -0.39 0.00 0.00 64.86 61.67 3ky8 h ILE 159 Cb 1.12 2.60 -0.22 0.00 -3.07 0.00 0.00 36.82 37.25 3ky8 h ILE 159 CO 0.79 0.81 0.31 -0.75 -0.69 0.00 0.00 178.15 178.62 3ky8 s LYS 160 N -2.58 0.79 -0.11 2.37 2.20 -1.21 -5.00 119.74 116.20 3ky8 s LYS 160 Ca -0.16 0.49 -0.06 0.00 -0.36 0.00 0.00 55.97 55.88 3ky8 s LYS 160 Cb 0.07 0.38 0.04 0.00 -1.51 0.00 0.00 37.83 36.81 3ky8 s LYS 160 CO 0.81 -0.19 0.26 0.45 -0.36 0.00 0.00 175.35 176.33 3ky8 s SER 161 N -0.49 -0.28 0.06 1.43 0.15 -1.26 -0.52 113.70 112.78 3ky8 s SER 161 Ca -0.03 0.55 -0.11 0.00 0.70 0.00 0.00 55.95 57.06 3ky8 s SER 161 Cb -0.02 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.74 3ky8 s SER 161 CO 0.03 -0.16 0.23 -1.83 1.20 0.00 0.00 173.24 172.71 3ky8 s GLU 162 N 1.09 0.78 -0.09 5.44 -1.05 -0.76 -5.00 118.70 119.12 3ky8 s GLU 162 Ca -0.08 -0.68 -0.26 0.00 -0.15 0.00 0.00 54.97 53.80 3ky8 s GLU 162 Cb -0.09 0.33 -0.03 0.00 -0.44 0.00 0.00 34.13 33.90 3ky8 s GLU 162 CO -0.07 -0.24 0.84 0.08 0.95 0.00 0.00 175.26 176.81 3ky8 s VAL 163 N -2.94 4.93 0.07 1.83 1.01 -1.26 -0.92 120.40 123.12 3ky8 s VAL 163 Ca -0.02 1.71 0.08 0.00 0.00 0.00 0.00 61.98 63.75 3ky8 s VAL 163 Cb 0.01 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 3ky8 s VAL 163 CO -0.06 0.13 -0.21 0.68 0.00 0.00 0.00 175.10 175.65 3ky8 s VAL 164 N 1.40 2.61 -1.60 2.92 -7.23 -0.17 -4.72 120.40 113.61 3ky8 s VAL 164 Ca 0.42 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 3ky8 s VAL 164 Cb -0.18 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.64 3ky8 s VAL 164 CO 0.19 0.25 0.00 0.18 -0.31 0.00 0.00 175.10 175.40 3ky8 n LEU 165 N 1.31 -1.41 0.00 1.32 4.77 -1.26 -2.01 117.00 119.72 3ky8 n LEU 165 Ca -0.16 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3ky8 n LEU 165 Cb 0.52 -2.49 0.00 0.00 -2.33 0.00 0.00 43.42 39.12 3ky8 n LEU 165 CO 0.26 -0.50 0.00 0.47 -1.33 0.00 0.00 177.39 176.28 3ky8 n ASP 166 N -1.45 0.00 -0.63 -1.43 8.00 -1.26 -4.56 116.55 115.22 3ky8 n ASP 166 Ca -0.19 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.37 3ky8 n ASP 166 Cb 0.61 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.80 3ky8 n ASP 166 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3ky8 n SER 167 N 0.53 1.27 -4.29 -2.24 2.88 -1.19 -5.04 113.62 105.53 3ky8 n SER 167 Ca 0.00 -2.74 -0.27 0.00 -1.33 0.00 0.00 58.87 54.53 3ky8 n SER 167 Cb 0.00 -0.36 -0.14 0.00 -0.75 0.00 0.00 64.21 62.96 3ky8 n SER 167 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3ky8 s LEU 168 N -1.54 2.19 -0.11 2.46 1.43 -0.85 -4.29 118.68 117.97 3ky8 s LEU 168 Ca 0.25 -0.57 -0.05 0.00 -1.03 0.00 0.00 54.13 52.74 3ky8 s LEU 168 Cb 0.25 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 3ky8 s LEU 168 CO -0.05 0.18 0.06 0.42 0.23 0.00 0.00 176.35 177.20 3ky8 s THR 169 N -0.85 4.84 -0.19 5.49 -4.23 -1.09 -1.00 115.64 118.61 3ky8 s THR 169 Ca 0.09 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 3ky8 s THR 169 Cb -0.09 -3.09 0.04 0.00 1.34 0.00 0.00 72.50 70.70 3ky8 s THR 169 CO 0.02 0.59 -0.08 -1.58 -0.54 0.00 0.00 174.62 173.03 3ky8 s GLN 170 N -0.74 1.78 -0.06 3.99 0.74 -0.10 -0.20 119.66 125.07 3ky8 s GLN 170 Ca 0.12 -0.73 0.06 0.00 0.05 0.00 0.00 55.36 54.86 3ky8 s GLN 170 Cb -0.12 -2.28 -0.01 0.00 1.10 0.00 0.00 33.01 31.70 3ky8 s GLN 170 CO 0.03 -0.44 -0.25 0.99 -0.55 0.00 0.00 175.29 175.06 3ky8 s THR 171 N 1.48 2.09 -0.25 -0.34 2.01 -0.63 -1.83 115.64 118.17 3ky8 s THR 171 Ca -0.01 -1.06 -0.05 0.00 0.31 0.00 0.00 61.69 60.88 3ky8 s THR 171 Cb -0.16 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.59 3ky8 s THR 171 CO -0.08 0.57 0.01 -0.89 -0.69 0.00 0.00 174.62 173.55 3ky8 s THR 172 N -0.21 3.70 -0.12 -0.82 2.01 0.32 -1.34 115.64 119.18 3ky8 s THR 172 Ca -0.02 -0.52 -0.02 0.00 0.31 0.00 0.00 61.69 61.44 3ky8 s THR 172 Cb -0.13 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 3ky8 s THR 172 CO 0.03 0.29 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.90 3ky8 s TYR 173 N 1.50 3.01 -0.08 4.92 2.02 -1.26 -0.93 117.35 126.52 3ky8 s TYR 173 Ca 0.05 -0.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.61 3ky8 s TYR 173 Cb -0.15 -1.85 -0.03 0.00 -0.40 0.00 0.00 41.96 39.53 3ky8 s TYR 173 CO -0.00 0.15 -0.08 -1.01 -1.57 0.00 0.00 175.55 173.03 3ky8 s HIS 174 N -0.19 2.90 0.23 2.71 3.76 -0.73 -4.33 115.29 119.65 3ky8 s HIS 174 Ca 0.03 -0.12 -0.31 0.00 -0.15 0.00 0.00 55.06 54.51 3ky8 s HIS 174 Cb -0.13 -1.75 -0.11 0.00 1.11 0.00 0.00 32.58 31.70 3ky8 s HIS 174 CO 0.02 0.20 1.65 0.50 -0.85 0.00 0.00 174.74 176.27 3ky8 s ARG 175 N -0.51 4.14 -0.04 1.40 6.06 -0.50 0.71 118.95 130.21 3ky8 s ARG 175 Ca 0.07 2.56 -0.30 0.00 -2.50 0.00 0.00 55.73 55.57 3ky8 s ARG 175 Cb -0.12 -3.07 -0.06 0.00 0.06 0.00 0.00 34.95 31.77 3ky8 s ARG 175 CO 0.02 -0.68 1.70 0.15 -2.50 0.00 0.00 175.30 173.99 3ky8 s LYS 176 N 0.53 4.17 0.00 5.12 1.02 -0.40 -4.76 119.74 125.42 3ky8 s LYS 176 Ca 0.70 2.24 0.28 0.00 0.02 0.00 0.00 55.97 59.21 3ky8 s LYS 176 Cb -0.48 -4.01 1.10 0.00 -0.52 0.00 0.00 37.83 33.92 3ky8 s LYS 176 CO 0.38 -0.87 1.77 0.54 -0.92 0.00 0.00 175.35 176.25