#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smn s ILE 6 N 0.00 5.09 -0.38 2.46 1.01 -1.26 -5.05 121.20 123.07 1smn s ILE 6 Ca 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 60.65 60.64 1smn s ILE 6 Cb 0.00 -3.33 0.05 0.00 0.01 0.00 0.00 42.46 39.19 1smn s ILE 6 CO 0.00 0.41 0.21 -0.62 0.00 0.00 0.00 174.94 174.94 1smn s ASP 7 N 0.68 5.62 0.00 3.58 -1.08 -1.26 -4.92 116.67 119.29 1smn s ASP 7 Ca 0.06 -1.22 0.23 0.00 -0.52 0.00 0.00 52.55 51.10 1smn s ASP 7 Cb -0.13 -1.98 0.51 0.00 -1.46 0.00 0.00 42.92 39.86 1smn s ASP 7 CO 0.01 -0.43 1.45 0.59 0.52 0.00 0.00 175.17 177.31 1smn n ASN 8 N 4.93 3.67 -0.02 -0.34 3.02 -1.26 -4.43 115.26 120.83 1smn n ASN 8 Ca -0.11 -2.00 -0.02 0.00 -0.03 0.00 0.00 54.58 52.42 1smn n ASN 8 Cb 0.45 -0.34 -0.03 0.00 -0.61 0.00 0.00 39.78 39.25 1smn n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1smn n ALA 10 N -2.16 0.00 -1.42 0.00 0.00 -1.26 -4.22 120.51 111.45 1smn n ALA 10 Ca -0.07 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.43 1smn n ALA 10 Cb 0.63 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.27 1smn n ALA 10 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1smn n VAL 11 N 0.00 2.20 0.00 0.00 0.24 -1.26 -5.04 118.33 114.47 1smn n VAL 11 Ca 0.00 -2.85 0.00 0.00 -2.04 0.00 0.00 64.34 59.45 1smn n VAL 11 Cb 0.00 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.11 1smn n VAL 11 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1smn n GLY 12 N -1.16 1.43 3.77 7.63 0.00 -1.26 -0.18 105.19 115.41 1smn n GLY 12 Ca 0.21 -1.20 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 1smn n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smn s PRO 14 N -4.80 3.13 0.27 0.00 0.02 -1.26 -4.23 135.00 128.13 1smn s PRO 14 Ca 0.62 2.19 0.07 0.00 0.02 0.00 0.00 61.00 63.90 1smn s PRO 14 Cb -0.18 -2.23 -0.03 0.00 0.02 0.00 0.00 34.50 32.08 1smn s PRO 14 CO 0.54 -1.19 0.24 0.95 -0.33 0.00 0.00 177.00 177.22 1smn s THR 15 N -1.33 4.35 0.00 0.99 -4.23 -0.80 -4.68 115.64 109.95 1smn s THR 15 Ca 0.72 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 1smn s THR 15 Cb -0.39 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.03 1smn s THR 15 CO 0.46 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 1smn n GLY 16 N -1.25 0.60 3.75 3.99 0.00 -1.26 -1.24 105.19 109.78 1smn n GLY 16 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1smn n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1smn s GLY 17 N -2.07 2.32 0.49 -0.02 0.00 -1.26 -4.75 107.32 102.02 1smn s GLY 17 Ca 0.00 0.75 0.23 0.00 0.00 0.00 0.00 44.72 45.70 1smn s GLY 17 CO 0.00 1.12 2.01 1.48 0.00 0.00 0.00 173.10 177.71 1smn h SER 18 N 0.05 0.00 -2.96 1.64 4.64 -1.93 -3.42 113.55 111.56 1smn h SER 18 Ca -0.48 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.23 1smn h SER 18 Cb 1.27 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.32 1smn h SER 18 CO 0.52 0.17 -0.44 -0.44 -0.87 0.00 0.00 176.83 175.78 1smn s SER 19 N -6.39 6.41 0.26 4.97 0.01 -1.25 -4.99 113.70 112.73 1smn s SER 19 Ca -0.03 0.40 0.23 0.00 1.31 0.00 0.00 55.95 57.86 1smn s SER 19 Cb 0.13 -2.01 0.14 0.00 0.21 0.00 0.00 66.02 64.49 1smn s SER 19 CO 0.62 0.16 1.24 0.78 0.41 0.00 0.00 173.24 176.45 1smn h ASN 20 N 3.22 0.00 -3.97 2.44 -0.26 -1.94 -3.45 115.58 111.62 1smn h ASN 20 Ca -0.46 -0.02 -0.69 0.00 -0.56 0.00 0.00 56.30 54.57 1smn h ASN 20 Cb 1.17 0.00 -0.22 0.00 -1.06 0.00 0.00 38.32 38.21 1smn h ASN 20 CO 0.73 0.01 -0.77 -0.69 -1.06 0.00 0.00 177.43 175.65 1smn s VAL 21 N -3.30 3.10 0.22 2.81 1.01 -1.26 -5.13 120.40 117.86 1smn s VAL 21 Ca 0.02 -0.78 0.10 0.00 0.00 0.00 0.00 61.98 61.32 1smn s VAL 21 Cb 0.09 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1smn s VAL 21 CO 0.75 0.54 -0.11 -0.44 0.00 0.00 0.00 175.10 175.84 1smn s SER 22 N -0.90 4.11 -0.09 3.32 0.01 -1.26 -4.65 113.70 114.24 1smn s SER 22 Ca 0.12 -0.72 -0.20 0.00 1.31 0.00 0.00 55.95 56.47 1smn s SER 22 Cb -0.11 -0.62 -0.04 0.00 0.21 0.00 0.00 66.02 65.46 1smn s SER 22 CO 0.02 0.07 0.56 -0.63 0.41 0.00 0.00 173.24 173.66 1smn s ILE 23 N -2.02 5.12 -0.17 1.44 -1.09 0.34 -4.90 121.20 119.92 1smn s ILE 23 Ca 0.27 1.13 0.00 0.00 -2.23 0.00 0.00 60.65 59.83 1smn s ILE 23 Cb -0.07 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 1smn s ILE 23 CO 0.16 0.32 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.33 1smn s VAL 24 N 0.57 2.52 0.38 2.92 1.01 -1.26 -0.81 120.40 125.73 1smn s VAL 24 Ca 0.30 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.52 1smn s VAL 24 Cb -0.16 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1smn s VAL 24 CO 0.13 0.51 0.16 -0.13 0.00 0.00 0.00 175.10 175.78 1smn s ARG 25 N 1.04 1.85 0.17 2.72 0.52 0.85 -5.00 118.95 121.11 1smn s ARG 25 Ca -0.01 -2.11 -0.00 0.00 -0.52 0.00 0.00 55.73 53.09 1smn s ARG 25 Cb -0.15 -0.37 0.05 0.00 0.52 0.00 0.00 34.95 35.00 1smn s ARG 25 CO -0.04 -0.51 1.42 0.45 0.02 0.00 0.00 175.30 176.64 1smn h HIS 26 N 1.91 0.46 -0.30 -0.53 3.86 -1.99 -3.18 115.15 115.39 1smn h HIS 26 Ca -0.33 -0.22 -0.10 0.00 -1.16 0.00 0.00 60.37 58.56 1smn h HIS 26 Cb 1.26 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.65 1smn h HIS 26 CO 1.47 0.98 -0.22 0.00 0.86 0.00 0.00 177.93 181.03 1smn h ALA 27 N 0.95 1.06 -1.69 2.45 0.00 -1.93 -3.47 119.26 116.64 1smn h ALA 27 Ca -0.04 -0.34 0.39 0.00 0.00 0.00 0.00 54.91 54.92 1smn h ALA 27 Cb 1.37 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 1smn h ALA 27 CO 0.13 0.57 0.98 1.52 0.00 0.00 0.00 179.25 182.45 1smn s TYR 28 N -4.57 0.00 -0.07 0.00 -0.85 -1.20 -4.65 117.35 106.01 1smn s TYR 28 Ca -0.08 -0.03 0.05 0.00 -0.52 0.00 0.00 57.07 56.49 1smn s TYR 28 Cb 0.14 0.52 -0.00 0.00 0.38 0.00 0.00 41.96 42.99 1smn s TYR 28 CO 0.80 -0.08 -0.22 0.99 -1.52 0.00 0.00 175.55 175.52 1smn s THR 29 N -2.04 1.82 -0.00 -3.49 2.01 -0.23 -0.10 115.64 113.60 1smn s THR 29 Ca 0.25 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.35 1smn s THR 29 Cb 0.03 -1.57 -0.00 0.00 0.01 0.00 0.00 72.50 70.97 1smn s THR 29 CO -0.04 0.51 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.15 1smn s LEU 30 N 0.16 2.02 -0.26 4.42 0.20 0.01 -0.84 118.68 124.38 1smn s LEU 30 Ca -0.10 -0.09 -0.03 0.00 0.69 0.00 0.00 54.13 54.60 1smn s LEU 30 Cb -0.15 -0.16 0.02 0.00 -0.43 0.00 0.00 46.19 45.47 1smn s LEU 30 CO 0.05 0.02 -0.03 0.21 -0.29 0.00 0.00 176.35 176.31 1smn s ASN 31 N -0.17 4.49 0.36 3.68 3.84 -0.80 -0.50 114.94 125.85 1smn s ASN 31 Ca 0.00 -0.86 -0.12 0.00 0.21 0.00 0.00 52.86 52.09 1smn s ASN 31 Cb -0.02 -1.71 -0.07 0.00 -0.55 0.00 0.00 41.25 38.90 1smn s ASN 31 CO -0.00 -0.14 0.74 0.21 -2.79 0.00 0.00 177.10 175.12 1smn s ASN 32 N 1.35 6.63 -0.28 -4.21 2.47 -1.26 0.63 114.94 120.27 1smn s ASN 32 Ca 0.00 1.18 0.01 0.00 0.42 0.00 0.00 52.86 54.47 1smn s ASN 32 Cb -0.17 -2.34 0.06 0.00 -1.45 0.00 0.00 41.25 37.36 1smn s ASN 32 CO -0.03 -0.30 -0.06 0.21 -3.72 0.00 0.00 177.10 173.20 1smn s ASN 33 N -2.76 4.62 0.26 -4.21 3.84 -0.93 -3.75 114.94 112.03 1smn s ASN 33 Ca 0.52 -1.42 0.24 0.00 0.21 0.00 0.00 52.86 52.41 1smn s ASN 33 Cb -0.10 -1.61 0.98 0.00 -0.55 0.00 0.00 41.25 39.97 1smn s ASN 33 CO 0.25 -0.23 1.72 -1.54 -2.79 0.00 0.00 177.10 174.51 1smn n SER 34 N 4.48 0.69 -0.02 -4.21 3.41 -1.26 -1.00 113.62 115.71 1smn n SER 34 Ca -0.12 0.66 -0.20 0.00 -0.26 0.00 0.00 58.87 58.95 1smn n SER 34 Cb 0.42 -0.81 -0.13 0.00 -0.26 0.00 0.00 64.21 63.43 1smn n SER 34 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1smn h THR 35 N 0.00 1.21 0.00 6.66 2.02 -1.94 -3.38 112.91 117.48 1smn h THR 35 Ca 0.00 -2.37 -0.12 0.00 0.77 0.00 0.00 66.41 64.70 1smn h THR 35 Cb 0.38 2.80 -0.02 0.00 -1.74 0.00 0.00 68.15 69.58 1smn h THR 35 CO 0.00 0.62 -0.59 0.71 0.37 0.00 0.00 175.52 176.62 1smn h THR 36 N -0.56 0.91 0.00 3.16 1.35 -1.86 -3.38 112.91 112.52 1smn h THR 36 Ca -0.24 -2.30 0.00 0.00 -0.55 0.00 0.00 66.41 63.32 1smn h THR 36 Cb 1.53 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 70.39 1smn h THR 36 CO 0.01 0.52 0.00 0.29 -0.25 0.00 0.00 175.52 176.09 1smn n LYS 37 N -3.22 0.00 -4.33 4.72 4.76 -0.17 -1.89 118.16 118.04 1smn n LYS 37 Ca 0.01 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.22 1smn n LYS 37 Cb 0.76 -2.60 -0.12 0.00 -1.84 0.00 0.00 35.03 31.23 1smn n LYS 37 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1smn s PHE 38 N -2.29 1.89 0.31 2.13 0.08 -1.21 -4.20 117.98 114.68 1smn s PHE 38 Ca 0.00 -0.44 -0.29 0.00 0.12 0.00 0.00 56.93 56.32 1smn s PHE 38 Cb 0.00 -0.97 -0.10 0.00 -0.57 0.00 0.00 43.02 41.38 1smn s PHE 38 CO 0.00 0.32 1.27 0.00 -0.10 0.00 0.00 175.22 176.70 1smn s ALA 39 N -1.70 3.49 0.18 5.36 0.00 -1.26 -2.18 121.76 125.65 1smn s ALA 39 Ca 0.14 1.17 -0.07 0.00 0.00 0.00 0.00 51.96 53.20 1smn s ALA 39 Cb -0.07 -3.45 0.09 0.00 0.00 0.00 0.00 23.12 19.69 1smn s ALA 39 CO 0.06 -0.53 1.55 -0.91 0.00 0.00 0.00 175.76 175.93 1smn h ASN 40 N 3.71 0.84 -5.00 0.00 2.35 -0.07 -3.40 115.58 114.01 1smn h ASN 40 Ca -0.48 -0.36 -0.06 0.00 -0.55 0.00 0.00 56.30 54.86 1smn h ASN 40 Cb 1.22 -0.24 -0.18 0.00 0.05 0.00 0.00 38.32 39.18 1smn h ASN 40 CO 0.67 1.10 0.17 -1.66 -1.65 0.00 0.00 177.43 176.06 1smn s TRP 41 N -4.44 -0.62 -0.07 1.19 1.48 -1.23 -4.21 118.94 111.04 1smn s TRP 41 Ca -0.10 0.98 -0.00 0.00 -1.06 0.00 0.00 56.10 55.92 1smn s TRP 41 Cb 0.12 0.42 0.02 0.00 -1.16 0.00 0.00 33.47 32.87 1smn s TRP 41 CO 0.85 -0.64 -0.04 0.08 -4.06 0.00 0.00 176.95 173.15 1smn s VAL 42 N -1.57 0.61 -0.12 -0.66 1.01 0.16 -1.90 120.40 117.93 1smn s VAL 42 Ca -0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1smn s VAL 42 Cb -0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 1smn s VAL 42 CO 0.06 0.28 -0.08 0.00 0.00 0.00 0.00 175.10 175.36 1smn s ALA 43 N 1.54 2.85 0.16 5.51 0.00 -0.02 -0.39 121.76 131.41 1smn s ALA 43 Ca -0.01 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 1smn s ALA 43 Cb -0.13 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 1smn s ALA 43 CO -0.04 0.35 0.17 1.52 0.00 0.00 0.00 175.76 177.76 1smn s TYR 44 N -0.04 0.77 -0.25 0.00 1.13 0.12 -1.07 117.35 118.00 1smn s TYR 44 Ca -0.01 -1.10 -0.02 0.00 -1.41 0.00 0.00 57.07 54.53 1smn s TYR 44 Cb -0.14 -0.34 0.08 0.00 -1.10 0.00 0.00 41.96 40.47 1smn s TYR 44 CO 0.03 -0.64 0.07 -1.58 -2.51 0.00 0.00 175.55 170.93 1smn s HIS 45 N -4.05 1.20 0.02 -3.49 2.46 -1.26 -1.16 115.29 109.00 1smn s HIS 45 Ca 0.26 -1.20 -0.24 0.00 0.47 0.00 0.00 55.06 54.35 1smn s HIS 45 Cb 0.06 -1.27 -0.05 0.00 -0.13 0.00 0.00 32.58 31.18 1smn s HIS 45 CO 0.04 -0.74 0.71 0.42 -2.47 0.00 0.00 174.74 172.70 1smn s ILE 46 N 1.80 4.82 0.38 0.89 1.01 0.55 -4.91 121.20 125.73 1smn s ILE 46 Ca 0.04 1.51 0.04 0.00 0.00 0.00 0.00 60.65 62.24 1smn s ILE 46 Cb -0.17 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 38.21 1smn s ILE 46 CO -0.19 0.36 0.15 0.42 0.00 0.00 0.00 174.94 175.68 1smn s THR 47 N 0.02 0.52 0.57 2.92 -4.23 -1.26 -0.88 115.64 113.30 1smn s THR 47 Ca 0.36 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.20 1smn s THR 47 Cb -0.20 -2.41 0.36 0.00 1.34 0.00 0.00 72.50 71.60 1smn s THR 47 CO 0.21 0.00 2.25 0.11 -0.54 0.00 0.00 174.62 176.65 1smn h LYS 48 N 1.91 0.00 -0.01 3.99 6.56 -1.86 -2.66 116.57 124.49 1smn h LYS 48 Ca -0.34 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.25 1smn h LYS 48 Cb 1.26 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.92 1smn h LYS 48 CO 0.54 0.02 -0.17 -0.25 -2.06 0.00 0.00 179.45 177.54 1smn n ASP 49 N -3.65 1.62 -0.01 0.86 8.00 -1.26 -4.44 116.55 117.67 1smn n ASP 49 Ca -0.03 -1.35 -0.08 0.00 0.71 0.00 0.00 54.79 54.04 1smn n ASP 49 Cb 0.11 0.12 -0.14 0.00 -0.02 0.00 0.00 41.12 41.19 1smn n ASP 49 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1smn h THR 50 N 2.29 0.87 -4.11 -3.53 1.35 -1.72 -3.43 112.91 104.63 1smn h THR 50 Ca 0.00 -2.70 -0.51 0.00 -0.55 0.00 0.00 66.41 62.65 1smn h THR 50 Cb 0.61 2.42 0.09 0.00 -1.73 0.00 0.00 68.15 69.54 1smn h THR 50 CO 0.00 0.50 0.43 -2.84 -0.25 0.00 0.00 175.52 173.36 1smn s PRO 51 N -2.62 3.11 -0.27 4.72 0.02 -1.01 0.76 135.00 139.71 1smn s PRO 51 Ca -0.04 1.65 -0.22 0.00 0.02 0.00 0.00 61.00 62.41 1smn s PRO 51 Cb 0.08 -1.97 0.08 0.00 0.02 0.00 0.00 34.50 32.71 1smn s PRO 51 CO 0.82 -1.05 0.75 0.00 -0.33 0.00 0.00 177.00 177.19 1smn s ALA 52 N -1.81 -1.85 0.34 -1.55 0.00 -0.64 -4.24 121.76 112.02 1smn s ALA 52 Ca 0.73 2.14 0.08 0.00 0.00 0.00 0.00 51.96 54.91 1smn s ALA 52 Cb -0.25 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.54 1smn s ALA 52 CO 0.32 -0.34 0.27 -1.54 0.00 0.00 0.00 175.76 174.46 1smn s SER 53 N 0.77 5.15 -1.07 0.00 1.04 -1.26 -4.52 113.70 113.81 1smn s SER 53 Ca -0.03 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1smn s SER 53 Cb -0.05 -0.90 0.00 0.00 0.10 0.00 0.00 66.02 65.18 1smn s SER 53 CO -0.06 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1smn n GLY 54 N -1.34 1.11 3.86 7.32 0.00 -1.26 -5.01 105.19 109.86 1smn n GLY 54 Ca -0.02 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 1smn n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1smn s LYS 55 N -2.93 3.90 0.64 1.61 -0.14 -1.26 -5.06 119.74 116.50 1smn s LYS 55 Ca 0.00 0.73 -0.04 0.00 -1.36 0.00 0.00 55.97 55.31 1smn s LYS 55 Cb 0.00 -2.28 0.05 0.00 -1.68 0.00 0.00 37.83 33.92 1smn s LYS 55 CO 0.00 -0.11 0.92 0.95 -0.76 0.00 0.00 175.35 176.34 1smn s THR 56 N -2.43 2.46 -0.59 2.17 -4.23 -1.26 -5.06 115.64 106.70 1smn s THR 56 Ca 0.55 -0.42 0.04 0.00 -1.18 0.00 0.00 61.69 60.68 1smn s THR 56 Cb -0.10 -3.01 0.15 0.00 1.34 0.00 0.00 72.50 70.87 1smn s THR 56 CO 0.29 -0.01 0.35 -0.13 -0.54 0.00 0.00 174.62 174.58 1smn s ARG 57 N -5.05 2.20 -0.77 3.99 0.52 -1.26 -5.02 118.95 113.56 1smn s ARG 57 Ca 0.59 -2.83 -0.16 0.00 -0.52 0.00 0.00 55.73 52.81 1smn s ARG 57 Cb -0.11 -3.40 0.17 0.00 0.52 0.00 0.00 34.95 32.14 1smn s ARG 57 CO 0.42 -1.17 0.79 -0.80 0.02 0.00 0.00 175.30 174.56 1smn s ASN 58 N -0.52 6.57 0.45 0.23 0.02 -1.26 -5.04 114.94 115.39 1smn s ASN 58 Ca 0.19 -2.25 -0.25 0.00 -1.02 0.00 0.00 52.86 49.53 1smn s ASN 58 Cb -0.19 -2.26 -0.09 0.00 0.02 0.00 0.00 41.25 38.73 1smn s ASN 58 CO -0.05 -0.79 1.31 0.79 0.02 0.00 0.00 177.10 178.38 1smn n TRP 59 N 4.99 2.24 -3.64 2.20 7.02 -1.26 -4.78 117.44 124.21 1smn n TRP 59 Ca 0.08 0.47 -0.15 0.00 -1.02 0.00 0.00 57.50 56.88 1smn n TRP 59 Cb 0.46 -2.39 -0.08 0.00 -2.42 0.00 0.00 31.31 26.89 1smn n TRP 59 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1smn s LYS 60 N -2.37 0.83 0.20 -0.99 2.20 -1.04 -4.86 119.74 113.71 1smn s LYS 60 Ca 0.63 0.27 -0.30 0.00 -0.36 0.00 0.00 55.97 56.21 1smn s LYS 60 Cb -0.48 0.39 -0.09 0.00 -1.51 0.00 0.00 37.83 36.14 1smn s LYS 60 CO 0.56 -0.21 1.34 0.99 -0.36 0.00 0.00 175.35 177.67 1smn s THR 61 N -0.81 3.12 -0.10 3.43 2.01 -1.26 -0.60 115.64 121.43 1smn s THR 61 Ca -0.09 0.92 -0.29 0.00 0.31 0.00 0.00 61.69 62.54 1smn s THR 61 Cb -0.03 -3.59 -0.06 0.00 0.01 0.00 0.00 72.50 68.83 1smn s THR 61 CO 0.06 0.13 1.94 -0.62 -0.69 0.00 0.00 174.62 175.44 1smn s ASP 62 N 0.39 6.17 0.11 3.53 -1.08 -1.26 -4.84 116.67 119.69 1smn s ASP 62 Ca 0.58 2.19 0.18 0.00 -0.52 0.00 0.00 52.55 54.98 1smn s ASP 62 Cb -0.37 -2.53 0.76 0.00 -1.46 0.00 0.00 42.92 39.32 1smn s ASP 62 CO 0.38 -1.35 1.56 -0.81 0.52 0.00 0.00 175.17 175.48 1smn n PRO 63 N 7.88 0.08 0.01 4.34 -0.04 -1.26 -2.35 135.00 143.66 1smn n PRO 63 Ca 0.22 0.33 0.13 0.00 -0.04 0.00 0.00 63.50 64.14 1smn n PRO 63 Cb 0.43 -1.66 0.34 0.00 -0.04 0.00 0.00 33.50 32.57 1smn n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1smn n ALA 64 N -1.62 3.08 -2.65 0.55 0.00 -1.26 -4.89 120.51 113.73 1smn n ALA 64 Ca 0.03 -0.26 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 1smn n ALA 64 Cb 0.19 -1.23 -0.05 0.00 0.00 0.00 0.00 19.45 18.36 1smn n ALA 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1smn s LEU 65 N -3.27 3.60 0.09 0.00 1.43 -0.99 -5.08 118.68 114.47 1smn s LEU 65 Ca 0.11 -0.45 -0.31 0.00 -1.03 0.00 0.00 54.13 52.46 1smn s LEU 65 Cb 0.17 -2.15 -0.06 0.00 0.03 0.00 0.00 46.19 44.18 1smn s LEU 65 CO 0.66 -0.18 1.22 0.21 0.23 0.00 0.00 176.35 178.49 1smn s ASN 66 N -3.88 7.05 0.66 2.29 3.84 -1.26 -4.90 114.94 118.74 1smn s ASN 66 Ca 0.36 2.10 0.40 0.00 0.21 0.00 0.00 52.86 55.93 1smn s ASN 66 Cb -0.06 -2.59 2.19 0.00 -0.55 0.00 0.00 41.25 40.24 1smn s ASN 66 CO 0.25 -0.47 2.23 1.55 -2.79 0.00 0.00 177.10 177.87 1smn h PRO 67 N 6.47 0.00 0.00 0.43 0.13 -1.92 -0.39 132.00 136.72 1smn h PRO 67 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1smn h PRO 67 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1smn h PRO 67 CO 0.80 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.56 1smn n ALA 68 N -2.02 2.29 -0.14 -0.56 0.00 -1.26 -3.70 120.51 115.13 1smn n ALA 68 Ca -0.03 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1smn n ALA 68 Cb 0.15 -1.47 0.28 0.00 0.00 0.00 0.00 19.45 18.41 1smn n ALA 68 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1smn n ASP 69 N -2.23 3.76 -3.74 0.00 8.00 -0.15 -4.98 116.55 117.20 1smn n ASP 69 Ca 0.06 -1.99 -0.11 0.00 0.71 0.00 0.00 54.79 53.45 1smn n ASP 69 Cb 0.43 -0.40 -0.05 0.00 -0.02 0.00 0.00 41.12 41.08 1smn n ASP 69 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1smn s THR 70 N -1.16 0.00 0.29 -3.53 -1.32 -1.24 -4.31 115.64 104.36 1smn s THR 70 Ca 0.45 -1.52 0.01 0.00 -1.21 0.00 0.00 61.69 59.41 1smn s THR 70 Cb 0.24 -2.41 -0.04 0.00 -1.51 0.00 0.00 72.50 68.79 1smn s THR 70 CO 0.32 0.00 0.47 -0.76 -2.21 0.00 0.00 174.62 172.44 1smn s LEU 71 N -3.11 4.13 0.27 9.08 1.43 -1.26 -4.94 118.68 124.29 1smn s LEU 71 Ca 0.27 0.37 0.10 0.00 -1.03 0.00 0.00 54.13 53.84 1smn s LEU 71 Cb 0.00 -3.19 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 1smn s LEU 71 CO 0.13 -0.18 -0.05 0.00 0.23 0.00 0.00 176.35 176.48 1smn s ALA 72 N -2.12 3.06 0.38 4.21 0.00 -1.26 -4.58 121.76 121.44 1smn s ALA 72 Ca 0.39 -1.70 0.14 0.00 0.00 0.00 0.00 51.96 50.78 1smn s ALA 72 Cb -0.10 -0.65 0.97 0.00 0.00 0.00 0.00 23.12 23.34 1smn s ALA 72 CO 0.32 0.27 1.83 -1.35 0.00 0.00 0.00 175.76 176.84 1smn h PRO 73 N 1.99 0.51 -0.08 0.00 0.11 -1.90 0.43 132.00 133.06 1smn h PRO 73 Ca -0.43 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1smn h PRO 73 Cb 1.25 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1smn h PRO 73 CO 0.60 0.34 0.03 0.00 -0.21 0.00 0.00 178.00 178.76 1smn h ALA 74 N 1.62 1.90 0.00 -0.75 0.00 -1.96 -2.73 119.26 117.34 1smn h ALA 74 Ca 0.51 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 1smn h ALA 74 Cb 1.09 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1smn h ALA 74 CO -0.24 0.09 -0.00 -0.44 0.00 0.00 0.00 179.25 178.65 1smn h ASP 75 N 0.12 0.00 -0.16 0.00 3.32 -1.10 -2.07 116.42 116.52 1smn h ASP 75 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1smn h ASP 75 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1smn h ASP 75 CO -0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 1smn n TYR 76 N -4.04 0.21 -1.75 4.55 4.02 -1.03 -4.07 117.16 115.05 1smn n TYR 76 Ca -0.03 -0.10 -0.42 0.00 -0.01 0.00 0.00 57.90 57.34 1smn n TYR 76 Cb 0.09 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.38 1smn n TYR 76 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1smn s THR 77 N -1.79 2.61 0.00 -0.72 2.01 -0.78 -1.60 115.64 115.37 1smn s THR 77 Ca 0.27 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.39 1smn s THR 77 Cb 0.14 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.57 1smn s THR 77 CO 0.21 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 1smn n GLY 78 N 4.18 1.39 0.25 4.40 0.00 -1.26 -2.81 105.19 111.34 1smn n GLY 78 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 1smn n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smn h ALA 79 N 0.00 0.74 -0.26 4.61 0.00 -1.64 -1.82 119.26 120.90 1smn h ALA 79 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1smn h ALA 79 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1smn h ALA 79 CO 0.00 0.30 0.15 -0.97 0.00 0.00 0.00 179.25 178.73 1smn h ASN 80 N 0.78 0.31 0.17 0.00 -0.73 -1.79 0.12 115.58 114.45 1smn h ASN 80 Ca 0.20 -0.07 -0.10 0.00 1.87 0.00 0.00 56.30 58.20 1smn h ASN 80 Cb 0.11 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.61 1smn h ASN 80 CO -0.03 0.29 -0.36 0.00 -0.37 0.00 0.00 177.43 176.97 1smn h ALA 81 N 1.03 1.16 0.11 1.57 0.00 -1.88 0.25 119.26 121.51 1smn h ALA 81 Ca 0.09 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 1smn h ALA 81 Cb 0.05 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.76 1smn h ALA 81 CO -0.02 0.55 -0.71 0.00 0.00 0.00 0.00 179.25 179.08 1smn h ALA 82 N 1.40 -0.06 -0.01 0.00 0.00 -1.15 -3.41 119.26 116.04 1smn h ALA 82 Ca 0.03 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1smn h ALA 82 Cb 0.74 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1smn h ALA 82 CO 0.06 0.34 -0.05 1.28 0.00 0.00 0.00 179.25 180.87 1smn n LEU 83 N -4.20 1.31 -3.70 0.00 4.77 0.41 -5.01 117.00 110.59 1smn n LEU 83 Ca -0.14 -0.91 -0.25 0.00 -0.03 0.00 0.00 56.01 54.68 1smn n LEU 83 Cb 0.76 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.91 1smn n LEU 83 CO 0.45 0.27 0.14 0.29 -1.33 0.00 0.00 177.39 177.22 1smn n LYS 84 N 0.09 -6.61 -4.19 3.23 5.02 0.89 -4.92 118.16 111.68 1smn n LYS 84 Ca 0.03 0.73 -0.29 0.00 -2.02 0.00 0.00 58.31 56.76 1smn n LYS 84 Cb 0.15 -5.66 -0.09 0.00 -0.02 0.00 0.00 35.03 29.41 1smn n LYS 84 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1smn s VAL 85 N -3.36 3.69 0.37 -0.18 -7.23 -1.26 -1.48 120.40 110.95 1smn s VAL 85 Ca 0.47 -1.23 0.08 0.00 -1.81 0.00 0.00 61.98 59.49 1smn s VAL 85 Cb -0.22 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.90 1smn s VAL 85 CO 0.77 0.04 0.18 -1.81 -0.31 0.00 0.00 175.10 173.97 1smn s ASP 86 N -2.48 4.66 -0.87 4.85 1.01 0.11 -3.96 116.67 119.99 1smn s ASP 86 Ca 0.25 -0.84 -0.23 0.00 0.71 0.00 0.00 52.55 52.44 1smn s ASP 86 Cb -0.11 -0.65 0.07 0.00 1.01 0.00 0.00 42.92 43.24 1smn s ASP 86 CO 0.17 -0.39 1.24 -0.13 0.21 0.00 0.00 175.17 176.27 1smn s ARG 87 N -3.89 3.42 0.02 8.23 0.52 -1.26 -1.74 118.95 124.24 1smn s ARG 87 Ca 0.40 -1.05 -0.20 0.00 -0.52 0.00 0.00 55.73 54.36 1smn s ARG 87 Cb -0.01 -4.80 -0.06 0.00 0.52 0.00 0.00 34.95 30.60 1smn s ARG 87 CO 0.23 -2.01 0.57 0.20 0.02 0.00 0.00 175.30 174.31 1smn s GLY 88 N 4.15 2.61 0.26 -3.53 0.00 -0.39 -4.90 107.32 105.53 1smn s GLY 88 Ca 0.36 0.00 -0.29 0.00 0.00 0.00 0.00 44.72 44.79 1smn s GLY 88 CO -0.01 0.61 1.00 0.30 0.00 0.00 0.00 173.10 175.00 1smn s HIS 89 N -0.54 3.80 0.00 1.90 3.76 -1.26 -1.97 115.29 120.98 1smn s HIS 89 Ca 0.29 1.82 0.00 0.00 -0.15 0.00 0.00 55.06 57.03 1smn s HIS 89 Cb -0.18 -3.09 0.00 0.00 1.11 0.00 0.00 32.58 30.42 1smn s HIS 89 CO 0.17 0.05 0.00 1.04 -0.85 0.00 0.00 174.74 175.15 1smn n GLN 90 N 1.28 0.00 -2.46 1.40 6.02 -0.14 -4.73 117.38 118.75 1smn n GLN 90 Ca -0.01 0.33 -0.42 0.00 -0.01 0.00 0.00 57.00 56.89 1smn n GLN 90 Cb 0.46 -0.82 -0.03 0.00 1.02 0.00 0.00 30.24 30.88 1smn n GLN 90 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1smn s ALA 91 N -3.15 3.42 0.25 -1.58 0.00 -1.26 -4.97 121.76 114.46 1smn s ALA 91 Ca 0.00 0.73 -0.30 0.00 0.00 0.00 0.00 51.96 52.39 1smn s ALA 91 Cb 0.00 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 1smn s ALA 91 CO 0.00 -0.57 1.20 -1.25 0.00 0.00 0.00 175.76 175.14 1smn s PRO 92 N 1.57 4.51 0.04 0.00 0.04 -1.26 -4.99 135.00 134.90 1smn s PRO 92 Ca 0.57 1.94 -0.30 0.00 0.04 0.00 0.00 61.00 63.24 1smn s PRO 92 Cb -0.27 -3.19 -0.18 0.00 0.04 0.00 0.00 34.50 30.91 1smn s PRO 92 CO 0.26 -0.02 1.38 1.25 0.04 0.00 0.00 177.00 179.91 1smn h LEU 93 N 4.42 -0.77 -1.85 -3.56 5.85 -1.93 -3.05 115.31 114.42 1smn h LEU 93 Ca -0.46 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 1smn h LEU 93 Cb 1.22 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 1smn h LEU 93 CO 0.70 -0.46 -0.12 0.00 -0.34 0.00 0.00 178.44 178.22 1smn h ALA 94 N -0.86 1.62 0.00 1.25 0.00 -1.94 0.16 119.26 119.49 1smn h ALA 94 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1smn h ALA 94 Cb 0.73 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1smn h ALA 94 CO 0.15 0.15 0.00 0.77 0.00 0.00 0.00 179.25 180.33 1smn h SER 95 N 0.00 0.00 0.00 0.00 0.02 -1.84 -1.70 113.55 110.04 1smn h SER 95 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1smn h SER 95 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1smn h SER 95 CO 0.02 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.89 1smn n LEU 96 N -3.02 0.68 0.00 5.07 4.77 -0.93 -2.39 117.00 121.19 1smn n LEU 96 Ca 0.04 -0.73 0.01 0.00 -0.03 0.00 0.00 56.01 55.30 1smn n LEU 96 Cb 0.52 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.64 1smn n LEU 96 CO 0.33 0.17 0.34 0.00 -1.33 0.00 0.00 177.39 176.90 1smn n ALA 97 N -0.10 1.44 1.11 -1.18 0.00 0.52 -1.87 120.51 120.43 1smn n ALA 97 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1smn n ALA 97 Cb 0.05 -1.02 0.23 0.00 0.00 0.00 0.00 19.45 18.71 1smn n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smn n GLY 98 N -1.01 -0.79 3.75 0.00 0.00 0.23 -4.74 105.19 102.63 1smn n GLY 98 Ca 0.01 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 1smn n GLY 98 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1smn s VAL 99 N -2.72 3.04 0.31 1.61 -7.23 -0.78 -4.91 120.40 109.72 1smn s VAL 99 Ca 0.17 0.34 0.05 0.00 -1.81 0.00 0.00 61.98 60.73 1smn s VAL 99 Cb 0.18 -2.88 0.10 0.00 0.56 0.00 0.00 36.38 34.34 1smn s VAL 99 CO 0.63 -0.44 1.78 0.77 -0.31 0.00 0.00 175.10 177.52 1smn h SER 100 N -1.28 0.41 -1.19 4.85 4.64 -1.91 -2.76 113.55 116.31 1smn h SER 100 Ca -0.47 -0.12 -0.66 0.00 -0.47 0.00 0.00 61.79 60.07 1smn h SER 100 Cb 1.26 -0.11 -0.32 0.00 -0.31 0.00 0.00 62.40 62.91 1smn h SER 100 CO 0.54 0.63 0.45 -0.90 -0.87 0.00 0.00 176.83 176.68 1smn n ASP 101 N -4.16 6.90 0.16 4.97 5.68 -1.26 -4.76 116.55 124.07 1smn n ASP 101 Ca -0.00 -3.79 0.13 0.00 -0.50 0.00 0.00 54.79 50.63 1smn n ASP 101 Cb 0.36 -0.83 0.68 0.00 -1.14 0.00 0.00 41.12 40.19 1smn n ASP 101 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 1smn h TRP 102 N 2.28 0.00 -0.36 2.11 5.08 -1.80 -1.92 115.95 121.34 1smn h TRP 102 Ca 0.53 0.00 0.10 0.00 1.08 0.00 0.00 58.89 60.61 1smn h TRP 102 Cb 0.81 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.96 1smn h TRP 102 CO 1.22 0.00 0.31 0.93 -1.28 0.00 0.00 178.44 179.63 1smn h GLU 103 N 0.00 0.00 0.00 0.12 5.08 -1.88 0.05 114.58 117.95 1smn h GLU 103 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1smn h GLU 103 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1smn h GLU 103 CO -0.00 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.88 1smn n SER 104 N -4.07 0.62 0.26 1.42 3.41 -0.72 -0.79 113.62 113.74 1smn n SER 104 Ca 0.06 0.73 0.17 0.00 -0.26 0.00 0.00 58.87 59.56 1smn n SER 104 Cb 0.49 -0.83 0.67 0.00 -0.26 0.00 0.00 64.21 64.28 1smn n SER 104 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1smn h LEU 105 N 0.00 0.00 -2.79 1.04 3.38 -1.18 -2.34 115.31 113.42 1smn h LEU 105 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1smn h LEU 105 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1smn h LEU 105 CO 0.00 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.12 1smn n ASN 106 N -2.95 3.50 -4.77 -0.43 3.02 0.03 -4.84 115.26 108.82 1smn n ASN 106 Ca 0.01 -2.00 -0.39 0.00 -0.03 0.00 0.00 54.58 52.17 1smn n ASN 106 Cb 0.29 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 39.05 1smn n ASN 106 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1smn s TYR 107 N -1.01 3.35 -0.71 3.10 2.02 -0.88 -2.49 117.35 120.72 1smn s TYR 107 Ca 0.38 1.63 0.15 0.00 -0.37 0.00 0.00 57.07 58.86 1smn s TYR 107 Cb 0.20 -3.31 0.68 0.00 -0.40 0.00 0.00 41.96 39.13 1smn s TYR 107 CO 0.26 -0.86 1.47 1.28 -1.57 0.00 0.00 175.55 176.12 1smn n LEU 108 N 0.63 0.29 0.28 -1.29 4.77 0.23 -1.04 117.00 120.86 1smn n LEU 108 Ca 0.02 0.59 0.16 0.00 -0.03 0.00 0.00 56.01 56.75 1smn n LEU 108 Cb 0.46 -0.58 0.74 0.00 -2.33 0.00 0.00 43.42 41.71 1smn n LEU 108 CO 0.52 -0.52 0.99 0.77 -1.33 0.00 0.00 177.39 177.82 1smn h SER 109 N 0.00 0.00 -0.69 -1.43 4.64 -1.87 -2.05 113.55 112.14 1smn h SER 109 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1smn h SER 109 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1smn h SER 109 CO 0.00 0.06 0.00 -3.20 -0.87 0.00 0.00 176.83 172.82 1smn n ASN 110 N -3.24 4.57 -4.25 4.97 5.15 -0.21 -3.97 115.26 118.28 1smn n ASN 110 Ca -0.01 -2.30 -0.20 0.00 -0.60 0.00 0.00 54.58 51.47 1smn n ASN 110 Cb 0.28 -0.56 -0.12 0.00 -0.53 0.00 0.00 39.78 38.85 1smn n ASN 110 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1smn s ILE 111 N -1.58 1.46 0.11 -1.44 -1.09 -0.77 -0.96 121.20 116.92 1smn s ILE 111 Ca 0.51 -1.57 -0.06 0.00 -2.23 0.00 0.00 60.65 57.31 1smn s ILE 111 Cb 0.31 -1.45 -0.02 0.00 -1.58 0.00 0.00 42.46 39.72 1smn s ILE 111 CO 0.28 -0.23 0.14 0.42 -1.23 0.00 0.00 174.94 174.32 1smn s THR 112 N -1.56 0.13 -0.73 2.92 -4.23 -0.83 -4.80 115.64 106.54 1smn s THR 112 Ca 0.06 -1.49 -0.27 0.00 -1.18 0.00 0.00 61.69 58.81 1smn s THR 112 Cb -0.08 -1.63 0.02 0.00 1.34 0.00 0.00 72.50 72.15 1smn s THR 112 CO 0.04 -0.60 1.36 -2.84 -0.54 0.00 0.00 174.62 172.03 1smn s PRO 113 N -3.93 3.12 -0.18 3.99 0.02 -1.26 -1.26 135.00 135.49 1smn s PRO 113 Ca 0.12 -0.14 -0.07 0.00 0.02 0.00 0.00 61.00 60.93 1smn s PRO 113 Cb 0.06 -4.22 -0.04 0.00 0.02 0.00 0.00 34.50 30.32 1smn s PRO 113 CO -0.06 -2.23 0.04 -1.14 -0.33 0.00 0.00 177.00 173.29 1smn s GLN 114 N 5.90 3.87 0.12 5.54 0.74 -0.71 -4.75 119.66 130.37 1smn s GLN 114 Ca 0.39 -0.40 -0.35 0.00 0.05 0.00 0.00 55.36 55.05 1smn s GLN 114 Cb -0.09 -3.17 -0.16 0.00 1.10 0.00 0.00 33.01 30.69 1smn s GLN 114 CO 0.16 0.21 1.26 1.63 -0.55 0.00 0.00 175.29 178.00 1smn n LYS 115 N 3.70 1.11 0.25 1.67 4.76 -1.26 0.08 118.16 128.47 1smn n LYS 115 Ca -0.17 0.40 0.08 0.00 -2.87 0.00 0.00 58.31 55.75 1smn n LYS 115 Cb 0.52 -1.98 0.63 0.00 -1.84 0.00 0.00 35.03 32.36 1smn n LYS 115 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1smn h SER 116 N 4.04 0.00 0.17 4.39 4.64 -1.56 -0.42 113.55 124.81 1smn h SER 116 Ca -0.46 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.76 1smn h SER 116 Cb 1.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 1smn h SER 116 CO 0.74 0.09 -0.37 0.44 -0.87 0.00 0.00 176.83 176.87 1smn h ASP 117 N 0.00 0.29 0.02 4.97 3.32 -1.87 0.14 116.42 123.28 1smn h ASP 117 Ca -0.00 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1smn h ASP 117 Cb 0.17 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1smn h ASP 117 CO 0.01 0.64 -0.01 0.25 -1.72 0.00 0.00 179.24 178.41 1smn h LEU 118 N 0.24 -0.02 -0.65 1.55 5.85 -1.44 -2.69 115.31 118.15 1smn h LEU 118 Ca 0.03 -0.75 0.12 0.00 0.84 0.00 0.00 57.88 58.11 1smn h LEU 118 Cb 0.76 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.71 1smn h LEU 118 CO 0.06 0.78 0.20 -1.13 -0.34 0.00 0.00 178.44 178.01 1smn h ASN 119 N -0.86 0.12 0.17 1.25 -1.24 -0.95 -1.71 115.58 112.36 1smn h ASN 119 Ca -0.00 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.11 1smn h ASN 119 Cb 0.77 0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.94 1smn h ASN 119 CO 0.00 0.06 -0.18 0.00 -1.29 0.00 0.00 177.43 176.02 1smn n GLN 120 N -5.07 1.07 0.00 6.67 6.02 0.48 -2.89 117.38 123.67 1smn n GLN 120 Ca 0.10 -0.62 0.00 0.00 -0.01 0.00 0.00 57.00 56.47 1smn n GLN 120 Cb 0.34 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.11 1smn n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1smn n GLY 121 N 1.29 0.82 0.37 1.08 0.00 -0.69 -4.73 105.19 103.33 1smn n GLY 121 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 1smn n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smn h ALA 122 N -0.40 1.49 -0.32 4.61 0.00 -1.72 -1.58 119.26 121.34 1smn h ALA 122 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1smn h ALA 122 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1smn h ALA 122 CO 0.00 0.34 0.11 2.35 0.00 0.00 0.00 179.25 182.06 1smn h TRP 123 N 1.06 0.50 -0.55 0.00 2.91 -1.68 -0.99 115.95 117.20 1smn h TRP 123 Ca 0.43 -0.05 -0.08 0.00 1.13 0.00 0.00 58.89 60.32 1smn h TRP 123 Cb 0.26 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 28.74 1smn h TRP 123 CO -0.00 0.50 0.03 0.00 -1.03 0.00 0.00 178.44 177.93 1smn h ALA 124 N 0.95 1.00 -0.57 2.65 0.00 -1.28 -1.54 119.26 120.48 1smn h ALA 124 Ca 0.10 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1smn h ALA 124 Cb 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1smn h ALA 124 CO -0.01 0.62 -0.01 0.00 0.00 0.00 0.00 179.25 179.86 1smn h ARG 125 N 0.86 0.99 -0.40 0.00 3.08 -1.05 -1.01 114.38 116.85 1smn h ARG 125 Ca 0.17 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 1smn h ARG 125 Cb 0.47 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1smn h ARG 125 CO 0.02 0.98 -0.02 1.25 -1.07 0.00 0.00 179.97 181.13 1smn h LEU 126 N 0.91 0.71 -0.86 3.04 5.85 -1.07 -1.35 115.31 122.54 1smn h LEU 126 Ca 0.16 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.62 1smn h LEU 126 Cb 0.54 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 1smn h LEU 126 CO 0.03 0.86 0.54 -0.33 -0.34 0.00 0.00 178.44 179.20 1smn h GLU 127 N 0.55 0.97 -0.28 1.25 5.08 -0.93 0.80 114.58 122.02 1smn h GLU 127 Ca 0.11 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1smn h GLU 127 Cb 0.50 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1smn h GLU 127 CO 0.02 0.64 0.16 -0.44 -1.00 0.00 0.00 179.01 178.39 1smn h ASP 128 N 0.99 0.34 -0.30 1.42 3.32 -0.66 -1.88 116.42 119.65 1smn h ASP 128 Ca 0.37 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.25 1smn h ASP 128 Cb 0.14 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1smn h ASP 128 CO -0.16 0.31 -0.14 1.56 -1.72 0.00 0.00 179.24 179.09 1smn h GLN 129 N 0.34 0.74 -0.36 3.56 1.08 -0.85 -0.98 115.11 118.65 1smn h GLN 129 Ca 0.10 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 57.03 1smn h GLN 129 Cb 0.04 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 1smn h GLN 129 CO -0.02 0.85 0.18 1.49 -0.95 0.00 0.00 178.83 180.39 1smn h GLU 130 N 0.67 0.52 -0.42 1.46 4.81 -0.75 -2.59 114.58 118.28 1smn h GLU 130 Ca 0.11 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 1smn h GLU 130 Cb 0.62 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1smn h GLU 130 CO 0.04 0.45 -0.10 -0.09 -0.73 0.00 0.00 179.01 178.58 1smn h ARG 131 N 0.45 0.74 0.00 1.92 2.43 -1.12 -2.83 114.38 115.96 1smn h ARG 131 Ca 0.13 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1smn h ARG 131 Cb 0.10 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1smn h ARG 131 CO -0.02 0.81 -0.07 0.87 -1.51 0.00 0.00 179.97 180.06 1smn h LYS 132 N 0.67 0.00 -0.47 0.20 1.57 -0.84 -2.84 116.57 114.85 1smn h LYS 132 Ca 0.12 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1smn h LYS 132 Cb 0.56 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 1smn h LYS 132 CO 0.03 0.07 0.31 -0.07 -0.57 0.00 0.00 179.45 179.22 1smn h LEU 133 N 0.00 0.46 -0.23 2.94 3.38 -1.20 -1.37 115.31 119.28 1smn h LEU 133 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1smn h LEU 133 Cb 0.22 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1smn h LEU 133 CO 0.01 0.32 0.00 0.00 0.09 0.00 0.00 178.44 178.86 1smn n ILE 134 N -4.47 1.00 0.19 1.22 0.13 -1.07 -1.62 119.36 114.74 1smn n ILE 134 Ca 0.05 0.27 0.11 0.00 -1.10 0.00 0.00 62.75 62.08 1smn n ILE 134 Cb 0.14 -1.09 0.13 0.00 -0.84 0.00 0.00 39.64 37.98 1smn n ILE 134 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 1smn h ASP 135 N 0.00 0.00 -3.65 9.51 3.32 -1.42 -3.45 116.42 120.74 1smn h ASP 135 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1smn h ASP 135 Cb 0.26 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.88 1smn h ASP 135 CO 0.00 0.06 0.70 -0.13 -1.72 0.00 0.00 179.24 178.15 1smn s ARG 136 N -3.20 4.30 0.26 3.56 0.52 -0.64 -4.90 118.95 118.84 1smn s ARG 136 Ca 0.06 2.28 -0.02 0.00 -0.52 0.00 0.00 55.73 57.52 1smn s ARG 136 Cb 0.06 -3.08 0.42 0.00 0.52 0.00 0.00 34.95 32.87 1smn s ARG 136 CO 0.69 -0.32 1.86 0.00 0.02 0.00 0.00 175.30 177.55 1smn h ALA 137 N 4.16 1.36 -0.26 2.13 0.00 -1.88 -2.38 119.26 122.39 1smn h ALA 137 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1smn h ALA 137 Cb 1.22 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1smn h ALA 137 CO 0.71 0.33 0.00 -0.40 0.00 0.00 0.00 179.25 179.89 1smn n ASP 138 N -4.57 2.01 -4.32 0.00 5.75 -1.26 -4.72 116.55 109.43 1smn n ASP 138 Ca 0.15 -1.83 -0.38 0.00 -0.01 0.00 0.00 54.79 52.72 1smn n ASP 138 Cb 0.23 -0.17 -0.12 0.00 -1.03 0.00 0.00 41.12 40.03 1smn n ASP 138 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1smn s ILE 139 N -1.66 4.04 -0.15 2.12 1.01 -0.90 -4.95 121.20 120.71 1smn s ILE 139 Ca 0.31 -0.91 0.22 0.00 0.00 0.00 0.00 60.65 60.28 1smn s ILE 139 Cb 0.17 -3.21 -0.20 0.00 0.01 0.00 0.00 42.46 39.24 1smn s ILE 139 CO 0.24 -0.10 0.73 -1.54 0.00 0.00 0.00 174.94 174.28 1smn n SER 140 N 4.87 0.37 -3.75 3.58 3.41 -1.26 -4.71 113.62 116.14 1smn n SER 140 Ca -0.13 0.10 -0.13 0.00 -0.26 0.00 0.00 58.87 58.45 1smn n SER 140 Cb 0.46 1.32 -0.08 0.00 -0.26 0.00 0.00 64.21 65.65 1smn n SER 140 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1smn s SER 141 N -4.80 -0.20 -0.12 4.04 0.01 -1.26 -4.37 113.70 107.00 1smn s SER 141 Ca -0.04 0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.28 1smn s SER 141 Cb 0.12 0.33 0.02 0.00 0.21 0.00 0.00 66.02 66.70 1smn s SER 141 CO 0.86 -0.49 -0.12 -0.69 0.41 0.00 0.00 173.24 173.21 1smn s VAL 142 N -1.56 1.30 -0.24 3.43 1.01 -0.06 -1.16 120.40 123.12 1smn s VAL 142 Ca -0.12 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 1smn s VAL 142 Cb -0.04 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 1smn s VAL 142 CO 0.03 0.41 0.00 -0.31 0.00 0.00 0.00 175.10 175.23 1smn s TYR 143 N 1.37 3.02 0.05 5.22 2.02 -0.10 -0.33 117.35 128.59 1smn s TYR 143 Ca 0.00 -0.82 0.07 0.00 -0.37 0.00 0.00 57.07 55.95 1smn s TYR 143 Cb -0.13 -2.16 -0.03 0.00 -0.40 0.00 0.00 41.96 39.24 1smn s TYR 143 CO -0.06 -0.51 -0.21 0.99 -1.57 0.00 0.00 175.55 174.20 1smn s THR 144 N 1.51 1.68 -0.05 -0.71 2.01 -0.31 -1.48 115.64 118.28 1smn s THR 144 Ca 0.05 -1.24 0.04 0.00 0.31 0.00 0.00 61.69 60.85 1smn s THR 144 Cb -0.15 -1.47 0.00 0.00 0.01 0.00 0.00 72.50 70.90 1smn s THR 144 CO -0.01 0.18 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.24 1smn s VAL 145 N -0.84 1.45 0.07 3.82 1.01 -0.34 -0.70 120.40 124.86 1smn s VAL 145 Ca 0.07 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1smn s VAL 145 Cb -0.09 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1smn s VAL 145 CO 0.02 0.42 -0.04 0.28 0.00 0.00 0.00 175.10 175.78 1smn s THR 146 N 0.19 0.38 -0.09 3.92 -1.32 0.47 -1.25 115.64 117.94 1smn s THR 146 Ca -0.08 -1.81 -0.31 0.00 -1.21 0.00 0.00 61.69 58.28 1smn s THR 146 Cb -0.13 -1.52 0.10 0.00 -1.51 0.00 0.00 72.50 69.44 1smn s THR 146 CO 0.03 -0.93 1.38 -0.83 -2.21 0.00 0.00 174.62 172.06 1smn s GLY 147 N -2.89 -0.24 0.35 6.08 0.00 -0.96 -0.66 107.32 108.99 1smn s GLY 147 Ca 0.08 0.23 0.07 0.00 0.00 0.00 0.00 44.72 45.09 1smn s GLY 147 CO -0.08 6.41 0.41 2.56 0.00 0.00 0.00 173.10 182.41 1smn s PRO 148 N -2.00 2.92 0.14 2.90 0.04 -1.26 -1.19 135.00 136.55 1smn s PRO 148 Ca 0.31 -1.16 0.11 0.00 0.04 0.00 0.00 61.00 60.30 1smn s PRO 148 Cb 0.01 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 1smn s PRO 148 CO -0.03 0.03 -0.26 -0.51 0.04 0.00 0.00 177.00 176.28 1smn s LEU 149 N -4.12 2.34 -0.52 -3.56 1.43 -0.36 -4.90 118.68 108.99 1smn s LEU 149 Ca 0.45 -0.76 0.04 0.00 -1.03 0.00 0.00 54.13 52.82 1smn s LEU 149 Cb -0.08 -1.16 0.15 0.00 0.03 0.00 0.00 46.19 45.13 1smn s LEU 149 CO 0.29 0.15 0.35 -0.31 0.23 0.00 0.00 176.35 177.06 1smn s TYR 150 N -1.19 2.29 -0.16 0.29 2.02 -1.26 -1.14 117.35 118.20 1smn s TYR 150 Ca 0.14 -2.71 0.06 0.00 -0.37 0.00 0.00 57.07 54.19 1smn s TYR 150 Cb -0.10 -1.92 -0.07 0.00 -0.40 0.00 0.00 41.96 39.47 1smn s TYR 150 CO 0.06 -0.72 0.19 0.39 -1.57 0.00 0.00 175.55 173.91 1smn n GLU 151 N 2.86 3.01 -3.75 -0.62 1.02 -1.26 -4.97 120.64 116.93 1smn n GLU 151 Ca 0.17 -0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 57.16 1smn n GLU 151 Cb 0.38 -0.93 -0.08 0.00 -0.02 0.00 0.00 31.44 30.79 1smn n GLU 151 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1smn s ARG 152 N -1.91 0.73 0.06 3.49 1.70 -1.26 -5.10 118.95 116.66 1smn s ARG 152 Ca 0.00 -0.27 -0.31 0.00 -0.47 0.00 0.00 55.73 54.68 1smn s ARG 152 Cb 0.04 0.32 -0.08 0.00 -0.57 0.00 0.00 34.95 34.66 1smn s ARG 152 CO 0.24 -0.21 1.62 0.34 -1.08 0.00 0.00 175.30 176.21 1smn s ASP 153 N -1.55 6.63 0.00 -2.89 2.15 -1.26 -4.63 116.67 115.12 1smn s ASP 153 Ca -0.11 2.44 0.17 0.00 0.43 0.00 0.00 52.55 55.48 1smn s ASP 153 Cb -0.04 -2.56 0.22 0.00 -0.30 0.00 0.00 42.92 40.24 1smn s ASP 153 CO 0.02 -0.87 1.13 0.23 -0.17 0.00 0.00 175.17 175.52 1smn n MET 154 N 5.59 1.74 0.00 4.34 2.81 -1.26 -5.09 117.12 125.24 1smn n MET 154 Ca 0.16 -1.73 0.00 0.00 -1.81 0.00 0.00 57.70 54.31 1smn n MET 154 Cb 0.41 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 31.57 1smn n MET 154 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1smn n GLY 155 N 0.99 -1.69 3.01 3.03 0.00 -1.26 -4.99 105.19 104.28 1smn n GLY 155 Ca 0.12 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 1smn n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1smn s LYS 156 N 0.00 0.37 0.15 1.61 -0.14 -1.26 -4.52 119.74 115.95 1smn s LYS 156 Ca 0.00 -0.65 -0.31 0.00 -1.36 0.00 0.00 55.97 53.65 1smn s LYS 156 Cb 0.00 0.13 -0.10 0.00 -1.68 0.00 0.00 37.83 36.19 1smn s LYS 156 CO 0.00 -0.07 1.54 -0.51 -0.76 0.00 0.00 175.35 175.55 1smn s LEU 157 N -1.61 4.37 0.39 3.17 1.43 -1.26 -4.89 118.68 120.27 1smn s LEU 157 Ca -0.13 2.56 0.19 0.00 -1.03 0.00 0.00 54.13 55.72 1smn s LEU 157 Cb -0.08 -3.59 0.74 0.00 0.03 0.00 0.00 46.19 43.29 1smn s LEU 157 CO -0.02 -0.79 1.77 1.55 0.23 0.00 0.00 176.35 179.09 1smn h PRO 158 N 6.82 0.00 -0.78 1.29 0.13 -1.86 -3.25 132.00 134.35 1smn h PRO 158 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1smn h PRO 158 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1smn h PRO 158 CO 0.91 0.36 0.00 0.41 -0.23 0.00 0.00 178.00 179.44 1smn n GLY 159 N 0.10 2.15 3.11 1.56 0.00 -1.12 -4.90 105.19 106.08 1smn n GLY 159 Ca -0.01 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 1smn n GLY 159 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1smn s THR 160 N -1.84 0.13 -1.36 2.61 -1.32 -1.23 -4.37 115.64 108.26 1smn s THR 160 Ca 0.26 -1.08 0.14 0.00 -1.21 0.00 0.00 61.69 59.80 1smn s THR 160 Cb 0.20 -0.87 0.02 0.00 -1.51 0.00 0.00 72.50 70.34 1smn s THR 160 CO 0.08 -0.59 0.80 0.00 -2.21 0.00 0.00 174.62 172.70 1smn n GLN 161 N 0.81 1.65 -2.23 7.08 0.00 -1.26 -4.91 117.38 118.52 1smn n GLN 161 Ca -0.19 -0.86 -0.37 0.00 0.00 0.00 0.00 57.00 55.57 1smn n GLN 161 Cb 0.58 -1.21 -0.01 0.00 0.00 0.00 0.00 30.24 29.60 1smn n GLN 161 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1smn s LYS 162 N -1.55 3.80 0.19 2.61 1.02 -1.26 -4.97 119.74 119.57 1smn s LYS 162 Ca 0.12 1.83 -0.30 0.00 0.02 0.00 0.00 55.97 57.64 1smn s LYS 162 Cb 0.11 -2.47 -0.08 0.00 -0.52 0.00 0.00 37.83 34.87 1smn s LYS 162 CO 0.30 -0.53 1.18 0.00 -0.92 0.00 0.00 175.35 175.38 1smn s ALA 163 N -1.49 3.43 0.17 5.17 0.00 -1.26 -5.00 121.76 122.77 1smn s ALA 163 Ca 0.62 0.93 -0.22 0.00 0.00 0.00 0.00 51.96 53.30 1smn s ALA 163 Cb -0.30 -3.40 0.06 0.00 0.00 0.00 0.00 23.12 19.47 1smn s ALA 163 CO 0.37 -0.35 0.58 -3.38 0.00 0.00 0.00 175.76 172.98 1smn s HIS 164 N -0.12 -0.43 -0.14 0.00 -0.00 -1.26 -4.73 115.29 108.60 1smn s HIS 164 Ca 0.52 0.17 -0.01 0.00 -0.00 0.00 0.00 55.06 55.75 1smn s HIS 164 Cb -0.32 0.52 0.04 0.00 -0.00 0.00 0.00 32.58 32.82 1smn s HIS 164 CO 0.37 -0.87 -0.05 0.99 -0.00 0.00 0.00 174.74 175.17 1smn s THR 165 N -3.78 1.00 0.15 -5.38 2.01 -0.79 -4.99 115.64 103.86 1smn s THR 165 Ca 0.03 -0.46 -0.30 0.00 0.31 0.00 0.00 61.69 61.27 1smn s THR 165 Cb -0.01 -1.14 -0.07 0.00 0.01 0.00 0.00 72.50 71.29 1smn s THR 165 CO -0.10 0.20 1.15 -0.63 -0.69 0.00 0.00 174.62 174.54 1smn s ILE 166 N 1.69 3.85 0.74 1.82 1.01 -1.26 -4.86 121.20 124.19 1smn s ILE 166 Ca 0.02 1.51 -0.15 0.00 0.00 0.00 0.00 60.65 62.03 1smn s ILE 166 Cb -0.14 -3.96 0.04 0.00 0.01 0.00 0.00 42.46 38.41 1smn s ILE 166 CO -0.08 0.22 1.21 -2.84 0.00 0.00 0.00 174.94 173.45 1smn s PRO 167 N 0.02 2.10 -0.01 2.79 0.02 -1.26 -4.51 135.00 134.15 1smn s PRO 167 Ca 0.52 1.75 0.18 0.00 0.02 0.00 0.00 61.00 63.48 1smn s PRO 167 Cb -0.30 -1.83 -0.23 0.00 0.02 0.00 0.00 34.50 32.16 1smn s PRO 167 CO 0.34 -1.87 0.67 -1.13 -0.33 0.00 0.00 177.00 174.68 1smn n SER 168 N -2.78 0.81 -3.79 2.53 3.41 -0.29 -4.87 113.62 108.64 1smn n SER 168 Ca 0.13 -0.65 -0.05 0.00 -0.26 0.00 0.00 58.87 58.05 1smn n SER 168 Cb 0.50 1.26 -0.02 0.00 -0.26 0.00 0.00 64.21 65.70 1smn n SER 168 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1smn s ALA 169 N -2.91 -1.51 0.02 7.33 0.00 -1.23 -0.37 121.76 123.10 1smn s ALA 169 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.96 1smn s ALA 169 Cb 0.13 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 1smn s ALA 169 CO 0.76 -1.04 0.00 0.71 0.00 0.00 0.00 175.76 176.20 1smn s TYR 170 N -3.51 0.21 0.11 0.00 2.02 0.19 -1.22 117.35 115.16 1smn s TYR 170 Ca 0.12 -0.44 0.02 0.00 -0.37 0.00 0.00 57.07 56.41 1smn s TYR 170 Cb -0.03 -0.16 -0.04 0.00 -0.40 0.00 0.00 41.96 41.33 1smn s TYR 170 CO 0.04 -0.20 -0.07 1.67 -1.57 0.00 0.00 175.55 175.41 1smn s TRP 171 N -1.39 0.99 -0.11 2.71 1.48 -0.34 -0.43 118.94 121.85 1smn s TRP 171 Ca -0.15 -0.88 -0.06 0.00 -1.06 0.00 0.00 56.10 53.95 1smn s TRP 171 Cb -0.09 -0.55 0.04 0.00 -1.16 0.00 0.00 33.47 31.71 1smn s TRP 171 CO -0.00 -0.09 0.27 0.21 -4.06 0.00 0.00 176.95 173.27 1smn s LYS 172 N -3.81 0.24 -0.12 3.25 2.20 -0.57 -2.26 119.74 118.67 1smn s LYS 172 Ca 0.13 0.54 0.03 0.00 -0.36 0.00 0.00 55.97 56.31 1smn s LYS 172 Cb 0.05 -0.07 0.01 0.00 -1.51 0.00 0.00 37.83 36.30 1smn s LYS 172 CO -0.03 -0.14 -0.21 0.08 -0.36 0.00 0.00 175.35 174.68 1smn s VAL 173 N 1.12 1.94 0.03 4.02 1.01 -0.38 -1.03 120.40 127.11 1smn s VAL 173 Ca -0.08 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.01 1smn s VAL 173 Cb -0.09 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1smn s VAL 173 CO -0.08 0.53 -0.10 -0.63 0.00 0.00 0.00 175.10 174.82 1smn s ILE 174 N 0.68 0.76 0.06 2.22 1.01 0.59 -1.20 121.20 125.32 1smn s ILE 174 Ca -0.11 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.57 1smn s ILE 174 Cb -0.16 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.59 1smn s ILE 174 CO 0.02 -0.12 0.21 0.72 0.00 0.00 0.00 174.94 175.77 1smn s PHE 175 N -0.89 0.07 0.25 3.97 -0.12 -0.55 -0.49 117.98 120.22 1smn s PHE 175 Ca -0.03 -0.37 0.09 0.00 -0.05 0.00 0.00 56.93 56.57 1smn s PHE 175 Cb -0.07 -0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 1smn s PHE 175 CO 0.01 -0.49 0.03 0.96 -0.05 0.00 0.00 175.22 175.67 1smn s ILE 176 N -3.14 3.65 0.00 -4.49 -4.36 -1.05 -0.93 121.20 110.89 1smn s ILE 176 Ca -0.01 -1.77 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 1smn s ILE 176 Cb 0.02 -2.94 0.00 0.00 1.25 0.00 0.00 42.46 40.78 1smn s ILE 176 CO -0.07 -0.34 0.00 0.59 0.24 0.00 0.00 174.94 175.36 1smn n ASN 177 N -0.86 0.00 -0.11 4.36 3.02 -0.31 -4.06 115.26 117.30 1smn n ASN 177 Ca -0.07 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.27 1smn n ASN 177 Cb 0.58 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.68 1smn n ASN 177 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1smn n ASN 178 N 7.74 1.78 -3.58 6.41 4.13 -1.26 -4.67 115.26 125.81 1smn n ASN 178 Ca 0.00 0.31 -0.11 0.00 1.68 0.00 0.00 54.58 56.46 1smn n ASN 178 Cb 0.00 -0.72 -0.05 0.00 -1.54 0.00 0.00 39.78 37.46 1smn n ASN 178 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1smn s SER 179 N -6.84 -0.40 0.22 6.41 0.15 -1.26 -4.82 113.70 107.16 1smn s SER 179 Ca -0.32 0.48 0.20 0.00 0.70 0.00 0.00 55.95 57.01 1smn s SER 179 Cb 0.10 0.38 0.92 0.00 -1.71 0.00 0.00 66.02 65.71 1smn s SER 179 CO 0.42 -0.35 1.62 -0.81 1.20 0.00 0.00 173.24 175.33 1smn n PRO 180 N 0.89 0.14 0.27 5.44 -0.04 -1.26 -0.69 135.00 139.75 1smn n PRO 180 Ca -0.11 0.46 0.11 0.00 -0.04 0.00 0.00 63.50 63.92 1smn n PRO 180 Cb 0.58 -1.82 0.73 0.00 -0.04 0.00 0.00 33.50 32.95 1smn n PRO 180 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1smn h ALA 181 N 2.22 1.56 0.00 0.55 0.00 -1.97 -3.31 119.26 118.31 1smn h ALA 181 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1smn h ALA 181 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1smn h ALA 181 CO 0.00 0.09 -0.16 1.33 0.00 0.00 0.00 179.25 180.51 1smn n VAL 182 N -3.99 0.00 -4.31 0.00 0.24 -0.80 -5.11 118.33 104.37 1smn n VAL 182 Ca -0.03 -0.13 -0.25 0.00 -2.04 0.00 0.00 64.34 61.89 1smn n VAL 182 Cb 0.16 0.70 -0.09 0.00 -1.47 0.00 0.00 33.84 33.15 1smn n VAL 182 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1smn s ASN 183 N -0.59 4.29 0.62 -1.34 -0.87 0.13 -5.02 114.94 112.16 1smn s ASN 183 Ca 0.00 -0.64 -0.19 0.00 -1.57 0.00 0.00 52.86 50.47 1smn s ASN 183 Cb 0.00 -0.73 -0.03 0.00 -0.02 0.00 0.00 41.25 40.47 1smn s ASN 183 CO 0.00 0.06 1.16 1.41 -2.57 0.00 0.00 177.10 177.17 1smn n HIS 184 N -0.32 1.50 -4.09 2.20 8.25 -1.26 -4.43 115.22 117.06 1smn n HIS 184 Ca -0.09 0.43 -0.11 0.00 -0.26 0.00 0.00 57.72 57.69 1smn n HIS 184 Cb 0.57 -2.22 -0.07 0.00 1.12 0.00 0.00 29.99 29.39 1smn n HIS 184 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1smn s TYR 185 N -1.43 0.77 0.10 4.41 -0.85 -1.26 -2.52 117.35 116.56 1smn s TYR 185 Ca 0.79 -1.05 -0.21 0.00 -0.52 0.00 0.00 57.07 56.08 1smn s TYR 185 Cb -0.40 -0.15 0.05 0.00 0.38 0.00 0.00 41.96 41.84 1smn s TYR 185 CO 0.44 -0.86 0.50 0.00 -1.52 0.00 0.00 175.55 174.11 1smn s ALA 186 N -3.99 -1.28 -0.09 9.51 0.00 0.36 -2.24 121.76 124.04 1smn s ALA 186 Ca 0.30 0.38 -0.07 0.00 0.00 0.00 0.00 51.96 52.57 1smn s ALA 186 Cb 0.02 0.59 0.03 0.00 0.00 0.00 0.00 23.12 23.77 1smn s ALA 186 CO 0.11 -0.61 0.23 0.00 0.00 0.00 0.00 175.76 175.50 1smn s ALA 187 N -3.15 -0.55 0.06 0.00 0.00 -1.26 -0.30 121.76 116.55 1smn s ALA 187 Ca -0.01 0.74 0.03 0.00 0.00 0.00 0.00 51.96 52.72 1smn s ALA 187 Cb 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1smn s ALA 187 CO -0.07 -0.13 -0.10 -0.06 0.00 0.00 0.00 175.76 175.39 1smn s PHE 188 N 0.46 0.91 -0.09 0.00 0.40 -0.20 -0.78 117.98 118.68 1smn s PHE 188 Ca -0.03 -0.49 -0.04 0.00 -0.60 0.00 0.00 56.93 55.77 1smn s PHE 188 Cb -0.04 -0.52 0.05 0.00 0.51 0.00 0.00 43.02 43.01 1smn s PHE 188 CO -0.02 -0.02 0.19 -1.17 0.70 0.00 0.00 175.22 174.89 1smn s LEU 189 N -1.68 0.31 -0.07 -0.37 2.96 -0.33 -1.52 118.68 117.99 1smn s LEU 189 Ca -0.06 0.41 0.05 0.00 -0.22 0.00 0.00 54.13 54.30 1smn s LEU 189 Cb -0.10 0.49 -0.00 0.00 0.50 0.00 0.00 46.19 47.08 1smn s LEU 189 CO 0.01 -0.19 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.28 1smn s PHE 190 N 1.63 2.19 0.51 5.38 0.40 0.43 -4.80 117.98 123.71 1smn s PHE 190 Ca -0.05 -0.74 -0.18 0.00 -0.60 0.00 0.00 56.93 55.36 1smn s PHE 190 Cb -0.11 -1.46 -0.07 0.00 0.51 0.00 0.00 43.02 41.88 1smn s PHE 190 CO -0.07 -0.27 1.02 0.34 0.70 0.00 0.00 175.22 176.94 1smn s ASP 191 N 0.12 6.36 0.43 1.36 2.15 -1.26 -0.64 116.67 125.19 1smn s ASP 191 Ca -0.09 1.78 0.16 0.00 0.43 0.00 0.00 52.55 54.83 1smn s ASP 191 Cb -0.15 -2.54 1.07 0.00 -0.30 0.00 0.00 42.92 41.00 1smn s ASP 191 CO 0.05 -0.77 1.92 1.56 -0.17 0.00 0.00 175.17 177.76 1smn h GLN 192 N 1.18 0.39 -0.84 4.34 1.08 -1.05 -2.32 115.11 117.89 1smn h GLN 192 Ca -0.48 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 56.66 1smn h GLN 192 Cb 1.21 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.53 1smn h GLN 192 CO 0.59 0.26 0.04 0.09 -0.95 0.00 0.00 178.83 178.86 1smn n ASN 193 N -4.48 3.17 -4.72 1.46 5.03 -1.26 -4.54 115.26 109.92 1smn n ASN 193 Ca 0.15 -2.46 -0.42 0.00 0.87 0.00 0.00 54.58 52.71 1smn n ASN 193 Cb 0.55 -0.59 -0.03 0.00 -1.02 0.00 0.00 39.78 38.69 1smn n ASN 193 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1smn n THR 194 N 0.21 0.22 -1.74 3.41 -1.04 -0.88 -4.92 114.28 109.54 1smn n THR 194 Ca 0.14 -0.06 -0.36 0.00 -2.04 0.00 0.00 64.05 61.74 1smn n THR 194 Cb 0.73 -1.93 0.06 0.00 -1.82 0.00 0.00 70.33 67.37 1smn n THR 194 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1smn s PRO 195 N 0.78 2.58 0.28 -2.82 0.02 -1.26 -3.97 135.00 130.60 1smn s PRO 195 Ca 0.73 1.85 0.02 0.00 0.02 0.00 0.00 61.00 63.62 1smn s PRO 195 Cb -0.52 -1.88 0.67 0.00 0.02 0.00 0.00 34.50 32.79 1smn s PRO 195 CO 0.36 -1.52 1.69 -0.22 -0.33 0.00 0.00 177.00 176.98 1smn h LYS 196 N 0.37 0.34 -0.64 5.54 3.11 -1.92 -2.39 116.57 120.98 1smn h LYS 196 Ca -0.49 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.32 1smn h LYS 196 Cb 1.31 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.46 1smn h LYS 196 CO 0.53 0.23 0.00 0.41 -2.81 0.00 0.00 179.45 177.80 1smn n GLY 197 N -1.35 2.55 3.76 5.01 0.00 -1.26 -4.27 105.19 109.64 1smn n GLY 197 Ca 0.20 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 1smn n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smn s ALA 198 N -2.11 3.54 -0.16 4.61 0.00 -0.90 -4.97 121.76 121.77 1smn s ALA 198 Ca 0.46 1.31 -0.29 0.00 0.00 0.00 0.00 51.96 53.44 1smn s ALA 198 Cb 0.32 -3.51 -0.00 0.00 0.00 0.00 0.00 23.12 19.92 1smn s ALA 198 CO 0.18 -0.71 1.01 0.34 0.00 0.00 0.00 175.76 176.58 1smn s ASP 199 N -0.22 7.17 0.62 0.00 2.15 -1.26 -4.20 116.67 120.93 1smn s ASP 199 Ca 0.52 1.45 0.39 0.00 0.43 0.00 0.00 52.55 55.33 1smn s ASP 199 Cb -0.41 -2.54 2.06 0.00 -0.30 0.00 0.00 42.92 41.73 1smn s ASP 199 CO 0.51 -0.54 2.26 2.19 -0.17 0.00 0.00 175.17 179.43 1smn h PHE 200 N 7.26 0.00 0.00 -5.34 -5.15 -1.93 -2.32 116.94 109.46 1smn h PHE 200 Ca -0.26 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.50 1smn h PHE 200 Cb 1.11 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.28 1smn h PHE 200 CO 0.73 0.02 -0.07 0.00 -2.00 0.00 0.00 178.31 176.99 1smn n GLN 202 N -3.56 0.11 -0.71 0.00 6.02 -0.87 -3.66 117.38 114.71 1smn n GLN 202 Ca -0.02 0.15 -0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1smn n GLN 202 Cb 0.19 -1.50 0.24 0.00 1.02 0.00 0.00 30.24 30.18 1smn n GLN 202 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1smn n PHE 203 N -1.42 1.31 -2.33 1.08 3.72 -0.77 -5.00 117.46 114.06 1smn n PHE 203 Ca 0.06 -1.27 -0.41 0.00 -0.05 0.00 0.00 57.45 55.79 1smn n PHE 203 Cb 0.20 -0.47 -0.03 0.00 -0.94 0.00 0.00 39.48 38.23 1smn n PHE 203 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1smn s ARG 204 N -3.05 4.48 0.25 -1.08 0.52 -1.24 -1.19 118.95 117.64 1smn s ARG 204 Ca 0.46 1.94 0.05 0.00 -0.52 0.00 0.00 55.73 57.66 1smn s ARG 204 Cb 0.39 -3.20 -0.02 0.00 0.52 0.00 0.00 34.95 32.64 1smn s ARG 204 CO 0.06 -0.07 0.24 1.33 0.02 0.00 0.00 175.30 176.87 1smn n VAL 205 N 2.02 0.00 -3.32 3.52 0.24 0.04 -4.90 118.33 115.93 1smn n VAL 205 Ca 0.03 -1.75 -0.23 0.00 -2.04 0.00 0.00 64.34 60.35 1smn n VAL 205 Cb 0.44 0.90 -0.01 0.00 -1.47 0.00 0.00 33.84 33.70 1smn n VAL 205 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1smn s THR 206 N -2.97 4.70 0.29 3.34 -4.23 -1.26 -4.14 115.64 111.37 1smn s THR 206 Ca 0.29 -0.57 0.07 0.00 -1.18 0.00 0.00 61.69 60.31 1smn s THR 206 Cb 0.01 -3.71 0.01 0.00 1.34 0.00 0.00 72.50 70.16 1smn s THR 206 CO 0.20 -0.44 1.67 0.58 -0.54 0.00 0.00 174.62 176.09 1smn h VAL 207 N 0.70 1.35 -0.77 2.29 2.07 -1.77 -2.93 116.25 117.18 1smn h VAL 207 Ca -0.48 -1.70 0.02 0.00 0.82 0.00 0.00 66.70 65.35 1smn h VAL 207 Cb 1.23 1.84 -0.04 0.00 -1.52 0.00 0.00 31.29 32.80 1smn h VAL 207 CO 0.59 0.50 0.50 -0.78 0.02 0.00 0.00 177.57 178.40 1smn h ASP 208 N 0.13 0.84 -0.35 0.57 3.58 -1.04 -1.44 116.42 118.71 1smn h ASP 208 Ca 0.01 -0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.48 1smn h ASP 208 Cb 0.91 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.73 1smn h ASP 208 CO 0.07 0.60 0.13 -0.08 -2.88 0.00 0.00 179.24 177.08 1smn h GLU 209 N 0.99 0.28 -0.05 0.28 4.81 -1.77 -1.00 114.58 118.12 1smn h GLU 209 Ca 0.29 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1smn h GLU 209 Cb -0.05 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1smn h GLU 209 CO -0.09 0.19 0.01 0.82 -0.73 0.00 0.00 179.01 179.21 1smn h ILE 210 N 0.29 0.98 -0.79 2.32 2.04 -1.44 -1.50 117.51 119.40 1smn h ILE 210 Ca 0.16 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 66.08 1smn h ILE 210 Cb 0.12 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 1smn h ILE 210 CO -0.15 0.00 0.47 -0.33 0.00 0.00 0.00 178.15 178.14 1smn h GLU 211 N 0.03 0.81 0.00 2.37 5.08 -1.03 0.25 114.58 122.08 1smn h GLU 211 Ca 0.02 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1smn h GLU 211 Cb 0.02 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1smn h GLU 211 CO -0.03 0.53 -0.34 0.87 -1.00 0.00 0.00 179.01 179.04 1smn h LYS 212 N 0.83 0.00 -0.01 2.33 1.57 -0.94 0.22 116.57 120.57 1smn h LYS 212 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1smn h LYS 212 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1smn h LYS 212 CO -0.20 0.34 -0.35 0.54 -0.57 0.00 0.00 179.45 179.21 1smn n ARG 213 N -4.03 1.05 -0.01 3.15 1.74 -0.33 -4.36 116.66 113.88 1smn n ARG 213 Ca -0.02 -0.76 -0.00 0.00 -0.77 0.00 0.00 57.85 56.30 1smn n ARG 213 Cb 0.39 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.33 1smn n ARG 213 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1smn n THR 214 N -0.31 0.12 -0.68 0.55 -2.24 -0.07 -4.81 114.28 106.84 1smn n THR 214 Ca 0.11 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1smn n THR 214 Cb 0.41 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1smn n THR 214 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1smn n GLY 215 N 2.64 0.70 3.98 3.38 0.00 0.75 -5.05 105.19 111.59 1smn n GLY 215 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1smn n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1smn s LEU 216 N 0.00 4.05 -0.24 0.99 1.43 -1.23 -4.66 118.68 119.02 1smn s LEU 216 Ca 0.00 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1smn s LEU 216 Cb 0.00 -2.76 0.05 0.00 0.03 0.00 0.00 46.19 43.51 1smn s LEU 216 CO 0.00 -0.33 -0.12 -0.63 0.23 0.00 0.00 176.35 175.50 1smn s ILE 217 N -2.13 2.06 0.32 -0.59 1.01 -0.37 -4.57 121.20 116.92 1smn s ILE 217 Ca 0.42 -1.43 -0.16 0.00 0.00 0.00 0.00 60.65 59.48 1smn s ILE 217 Cb -0.09 -2.12 -0.09 0.00 0.01 0.00 0.00 42.46 40.17 1smn s ILE 217 CO 0.30 0.08 0.75 -0.63 0.00 0.00 0.00 174.94 175.44 1smn s ILE 218 N 1.18 4.66 -1.32 2.92 1.01 -1.26 -1.90 121.20 126.50 1smn s ILE 218 Ca -0.06 1.00 -0.01 0.00 0.00 0.00 0.00 60.65 61.58 1smn s ILE 218 Cb -0.18 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.67 1smn s ILE 218 CO -0.07 -0.17 0.73 0.79 0.00 0.00 0.00 174.94 176.23 1smn n TRP 219 N -0.31 -1.95 0.25 3.97 8.01 -1.24 -4.83 117.44 121.35 1smn n TRP 219 Ca 0.03 0.85 0.06 0.00 -1.31 0.00 0.00 57.50 57.13 1smn n TRP 219 Cb 0.53 -4.40 0.28 0.00 -2.01 0.00 0.00 31.31 25.71 1smn n TRP 219 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1smn n ALA 220 N -4.30 1.33 0.71 6.99 0.00 -1.17 -2.49 120.51 121.58 1smn n ALA 220 Ca -0.28 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.31 1smn n ALA 220 Cb 0.67 -1.19 0.27 0.00 0.00 0.00 0.00 19.45 19.20 1smn n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smn n GLY 221 N -0.74 1.11 3.82 0.00 0.00 0.75 -4.95 105.19 105.17 1smn n GLY 221 Ca 0.01 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 1smn n GLY 221 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1smn s LEU 222 N -1.52 3.90 0.61 0.99 1.43 -1.04 -4.91 118.68 118.15 1smn s LEU 222 Ca 0.36 1.74 -0.19 0.00 -1.03 0.00 0.00 54.13 55.01 1smn s LEU 222 Cb 0.20 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.85 1smn s LEU 222 CO 0.29 -0.48 1.11 -2.65 0.23 0.00 0.00 176.35 174.85 1smn n PRO 223 N -0.78 1.03 -0.26 1.29 -0.02 -1.26 -4.78 135.00 130.22 1smn n PRO 223 Ca 0.08 0.40 -0.01 0.00 -2.02 0.00 0.00 63.50 61.95 1smn n PRO 223 Cb 0.54 -2.33 0.11 0.00 -0.02 0.00 0.00 33.50 31.81 1smn n PRO 223 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1smn h ASP 224 N 0.58 0.66 -0.09 2.55 3.32 -1.98 -1.88 116.42 119.57 1smn h ASP 224 Ca -0.49 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 56.51 1smn h ASP 224 Cb 1.35 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 1smn h ASP 224 CO 0.52 0.42 -0.14 -2.24 -1.72 0.00 0.00 179.24 176.08 1smn h ASP 225 N 0.79 0.43 -0.35 6.45 2.03 -1.99 0.18 116.42 123.96 1smn h ASP 225 Ca 0.33 -0.11 -0.07 0.00 -0.73 0.00 0.00 57.03 56.45 1smn h ASP 225 Cb 0.18 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.56 1smn h ASP 225 CO -0.18 0.60 -0.04 0.58 -1.03 0.00 0.00 179.24 179.17 1smn h VAL 226 N 0.41 1.27 -0.44 4.15 2.07 -1.73 -1.64 116.25 120.35 1smn h VAL 226 Ca 0.08 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1smn h VAL 226 Cb 0.49 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1smn h VAL 226 CO 0.03 0.35 0.23 1.56 0.02 0.00 0.00 177.57 179.76 1smn h GLN 227 N 0.44 0.61 -0.58 1.57 4.20 -1.02 -0.32 115.11 120.02 1smn h GLN 227 Ca 0.09 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1smn h GLN 227 Cb 0.52 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1smn h GLN 227 CO 0.03 0.50 0.24 0.00 -0.67 0.00 0.00 178.83 178.92 1smn h ALA 228 N 1.08 0.75 0.21 3.87 0.00 -0.76 -2.59 119.26 121.83 1smn h ALA 228 Ca 0.15 -0.16 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 1smn h ALA 228 Cb 0.07 -0.23 0.03 0.00 0.00 0.00 0.00 17.79 17.66 1smn h ALA 228 CO -0.02 0.36 -1.44 0.66 0.00 0.00 0.00 179.25 178.81 1smn h SER 229 N 0.80 0.71 1.11 0.00 4.64 -1.05 -3.37 113.55 116.38 1smn h SER 229 Ca 0.19 -0.78 -0.14 0.00 -0.47 0.00 0.00 61.79 60.59 1smn h SER 229 Cb 0.19 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 1smn h SER 229 CO -0.02 1.61 -0.94 -0.07 -0.87 0.00 0.00 176.83 176.55 1smn h LEU 230 N 0.12 0.00 -1.24 5.97 3.38 -1.12 -3.35 115.31 119.09 1smn h LEU 230 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1smn h LEU 230 Cb 2.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.86 1smn h LEU 230 CO 0.25 0.59 0.00 0.11 0.09 0.00 0.00 178.44 179.48 1smn h LYS 231 N 0.00 0.00 -0.63 1.13 1.57 -1.62 -2.40 116.57 114.62 1smn h LYS 231 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1smn h LYS 231 Cb 1.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.83 1smn h LYS 231 CO 0.06 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.81 1smn n SER 232 N -2.93 3.79 -4.16 0.86 3.41 -1.25 -0.32 113.62 113.03 1smn n SER 232 Ca 0.01 -2.05 -0.33 0.00 -0.26 0.00 0.00 58.87 56.23 1smn n SER 232 Cb 0.31 -0.44 -0.15 0.00 -0.26 0.00 0.00 64.21 63.66 1smn n SER 232 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1smn s LYS 233 N -1.10 2.96 0.37 4.33 2.47 -0.90 -4.98 119.74 122.89 1smn s LYS 233 Ca 0.43 -0.86 -0.28 0.00 -1.56 0.00 0.00 55.97 53.70 1smn s LYS 233 Cb 0.23 -2.72 -0.11 0.00 -1.46 0.00 0.00 37.83 33.77 1smn s LYS 233 CO 0.28 -0.27 1.50 -2.14 0.16 0.00 0.00 175.35 174.89 1smn s PRO 234 N 1.31 4.11 0.81 4.03 0.02 -1.26 -4.83 135.00 139.19 1smn s PRO 234 Ca 0.03 2.58 -0.11 0.00 0.02 0.00 0.00 61.00 63.52 1smn s PRO 234 Cb -0.14 -2.97 0.11 0.00 0.02 0.00 0.00 34.50 31.51 1smn s PRO 234 CO -0.10 -0.55 1.16 0.20 -0.33 0.00 0.00 177.00 177.39 1smn s GLY 235 N -0.06 1.68 0.00 0.52 0.00 -1.25 -5.02 107.32 103.19 1smn s GLY 235 Ca 0.54 -0.94 0.21 0.00 0.00 0.00 0.00 44.72 44.53 1smn s GLY 235 CO 0.61 -0.39 1.17 3.33 0.00 0.00 0.00 173.10 177.82 1smn n VAL 236 N -3.30 0.01 -0.09 1.40 0.24 -1.19 -4.52 118.33 110.88 1smn n VAL 236 Ca 0.10 -0.50 0.13 0.00 -2.04 0.00 0.00 64.34 62.03 1smn n VAL 236 Cb 0.60 1.43 0.52 0.00 -1.47 0.00 0.00 33.84 34.92 1smn n VAL 236 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1smn h LEU 237 N 4.13 0.34 -2.30 1.34 5.85 -1.77 -1.47 115.31 121.42 1smn h LEU 237 Ca 0.00 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1smn h LEU 237 Cb 0.88 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 1smn h LEU 237 CO 0.00 0.19 0.06 -0.65 -0.34 0.00 0.00 178.44 177.71 1smn h PRO 238 N 0.37 0.00 0.00 5.25 0.11 -1.79 -0.27 132.00 135.67 1smn h PRO 238 Ca 0.30 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.39 1smn h PRO 238 Cb 0.66 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.76 1smn h PRO 238 CO -0.08 0.00 -0.09 0.93 -0.21 0.00 0.00 178.00 178.55 1smn h GLU 239 N 0.00 0.00 -0.00 1.05 3.07 -1.44 0.14 114.58 117.39 1smn h GLU 239 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1smn h GLU 239 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1smn h GLU 239 CO -0.00 0.09 -0.19 1.28 -1.40 0.00 0.00 179.01 178.79 1smn n LEU 240 N -3.85 0.63 -1.17 1.33 4.77 -0.12 -3.41 117.00 115.19 1smn n LEU 240 Ca -0.02 -0.06 0.08 0.00 -0.03 0.00 0.00 56.01 55.98 1smn n LEU 240 Cb 0.18 -0.18 0.28 0.00 -2.33 0.00 0.00 43.42 41.37 1smn n LEU 240 CO 0.30 0.12 0.74 0.23 -1.33 0.00 0.00 177.39 177.46 1smn n MET 241 N -0.92 3.30 -0.26 3.23 2.81 0.39 -4.95 117.12 120.71 1smn n MET 241 Ca 0.13 -2.65 0.00 0.00 -1.81 0.00 0.00 57.70 53.37 1smn n MET 241 Cb 0.31 -1.70 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 1smn n MET 241 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1smn n GLY 242 N 0.63 0.66 3.87 3.03 0.00 -1.10 -5.00 105.19 107.29 1smn n GLY 242 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1smn n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smn s LYS 244 N -3.91 2.16 0.00 0.00 -0.14 -1.26 -4.26 119.74 112.33 1smn s LYS 244 Ca 0.53 -1.54 0.00 0.00 -1.36 0.00 0.00 55.97 53.61 1smn s LYS 244 Cb -0.10 -2.06 0.00 0.00 -1.68 0.00 0.00 37.83 33.99 1smn s LYS 244 CO 0.31 0.31 0.00 0.09 -0.76 0.00 0.00 175.35 175.30