#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6h s VAL 17 N 0.00 5.32 -0.07 1.39 1.01 0.14 -4.05 120.40 124.14 1s6h s VAL 17 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1s6h s VAL 17 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1s6h s VAL 17 CO 0.00 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1s6h n GLY 18 N 3.01 0.47 0.00 4.51 0.00 -1.21 -1.45 105.19 110.52 1s6h n GLY 18 Ca -0.14 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1s6h n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s6h n GLY 19 N -2.81 1.23 3.15 -0.02 0.00 -1.26 -4.84 105.19 100.63 1s6h n GLY 19 Ca -0.01 -1.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.02 1s6h n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1s6h s TYR 20 N 1.54 0.28 -0.11 1.61 1.13 -0.53 -4.97 117.35 116.30 1s6h s TYR 20 Ca 0.00 -0.72 -0.29 0.00 -1.41 0.00 0.00 57.07 54.64 1s6h s TYR 20 Cb 0.00 -0.19 -0.04 0.00 -1.10 0.00 0.00 41.96 40.63 1s6h s TYR 20 CO 0.00 -0.45 1.58 0.99 -2.51 0.00 0.00 175.55 175.17 1s6h s THR 21 N -3.59 3.72 0.69 -3.49 2.01 -1.26 -0.63 115.64 113.09 1s6h s THR 21 Ca 0.03 0.86 -0.17 0.00 0.31 0.00 0.00 61.69 62.72 1s6h s THR 21 Cb 0.04 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 68.97 1s6h s THR 21 CO -0.09 -0.12 1.21 0.00 -0.69 0.00 0.00 174.62 174.93 1s6h n ALA 23 N -2.31 2.27 -1.65 0.00 0.00 -1.26 -4.85 120.51 112.71 1s6h n ALA 23 Ca 0.15 0.38 -0.52 0.00 0.00 0.00 0.00 53.44 53.44 1s6h n ALA 23 Cb 0.49 -2.43 -0.06 0.00 0.00 0.00 0.00 19.45 17.45 1s6h n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6h n ALA 24 N 2.08 -0.23 -1.29 0.00 0.00 -1.26 -1.74 120.51 118.07 1s6h n ALA 24 Ca 0.09 0.44 -0.10 0.00 0.00 0.00 0.00 53.44 53.88 1s6h n ALA 24 Cb 0.36 -2.20 -0.04 0.00 0.00 0.00 0.00 19.45 17.56 1s6h n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s6h n ASN 25 N 3.92 -5.09 -0.00 0.00 4.13 -1.26 -4.86 115.26 112.10 1s6h n ASN 25 Ca 0.21 0.25 0.14 0.00 1.68 0.00 0.00 54.58 56.86 1s6h n ASN 25 Cb 0.20 -3.47 0.61 0.00 -1.54 0.00 0.00 39.78 35.58 1s6h n ASN 25 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1s6h n SER 26 N -0.67 0.04 -3.19 6.41 3.41 -0.71 -3.94 113.62 114.97 1s6h n SER 26 Ca -0.10 0.39 -0.27 0.00 -0.26 0.00 0.00 58.87 58.63 1s6h n SER 26 Cb 0.48 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.94 1s6h n SER 26 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1s6h n ILE 27 N -1.48 2.60 0.44 -1.33 2.08 -1.26 -4.96 119.36 115.45 1s6h n ILE 27 Ca 0.08 -5.36 0.11 0.00 0.56 0.00 0.00 62.75 58.13 1s6h n ILE 27 Cb 0.33 -1.75 0.44 0.00 -0.75 0.00 0.00 39.64 37.92 1s6h n ILE 27 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1s6h n PRO 28 N 0.35 0.14 0.00 0.38 -0.04 -1.25 -1.31 135.00 133.26 1s6h n PRO 28 Ca 0.30 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 64.25 1s6h n PRO 28 Cb 0.41 -1.77 0.36 0.00 -0.04 0.00 0.00 33.50 32.46 1s6h n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1s6h n TYR 29 N -2.04 0.00 -2.52 0.54 0.18 -1.18 -1.92 117.16 110.23 1s6h n TYR 29 Ca 0.03 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.38 1s6h n TYR 29 Cb 0.22 -0.26 -0.03 0.00 -0.38 0.00 0.00 39.34 38.90 1s6h n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1s6h s GLN 30 N -2.86 4.44 0.27 -3.48 2.00 -0.43 -1.17 119.66 118.43 1s6h s GLN 30 Ca 0.16 1.63 0.11 0.00 -2.00 0.00 0.00 55.36 55.26 1s6h s GLN 30 Cb 0.18 -3.45 -0.05 0.00 0.80 0.00 0.00 33.01 30.50 1s6h s GLN 30 CO 0.62 -0.27 -0.09 0.14 -0.50 0.00 0.00 175.29 175.19 1s6h s VAL 31 N 1.47 3.02 -0.17 1.34 -7.23 -0.44 -4.44 120.40 113.95 1s6h s VAL 31 Ca 0.56 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 58.54 1s6h s VAL 31 Cb -0.25 -2.60 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 1s6h s VAL 31 CO 0.26 -0.38 0.01 -0.55 -0.31 0.00 0.00 175.10 174.12 1s6h s SER 32 N -3.59 5.12 -0.16 4.85 0.15 -0.38 -2.22 113.70 117.46 1s6h s SER 32 Ca 0.31 -0.06 -0.15 0.00 0.70 0.00 0.00 55.95 56.74 1s6h s SER 32 Cb -0.06 -1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 62.35 1s6h s SER 32 CO 0.18 0.15 0.37 -0.76 1.20 0.00 0.00 173.24 174.38 1s6h s LEU 33 N 0.47 4.23 -0.05 3.45 1.43 0.03 -0.38 118.68 127.86 1s6h s LEU 33 Ca -0.01 0.60 0.03 0.00 -1.03 0.00 0.00 54.13 53.72 1s6h s LEU 33 Cb -0.14 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.59 1s6h s LEU 33 CO 0.02 0.04 -0.15 0.21 0.23 0.00 0.00 176.35 176.70 1s6h s ASN 34 N 0.63 1.94 -0.13 2.29 3.84 0.02 -1.15 114.94 122.38 1s6h s ASN 34 Ca 0.20 -0.32 0.18 0.00 0.21 0.00 0.00 52.86 53.12 1s6h s ASN 34 Cb -0.14 -0.68 0.32 0.00 -0.55 0.00 0.00 41.25 40.20 1s6h s ASN 34 CO 0.06 0.10 1.19 -1.54 -2.79 0.00 0.00 177.10 174.13 1s6h n SER 37 N 3.42 2.62 0.00 -4.21 3.41 -1.26 -0.85 113.62 116.75 1s6h n SER 37 Ca -0.20 -3.02 0.00 0.00 -0.26 0.00 0.00 58.87 55.39 1s6h n SER 37 Cb 0.53 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1s6h n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6h n GLY 38 N -1.22 1.86 3.34 5.00 0.00 -1.26 -5.06 105.19 107.85 1s6h n GLY 38 Ca 0.16 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 1s6h n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s6h s SER 39 N -0.26 0.03 0.25 1.61 1.04 -1.26 -5.13 113.70 109.97 1s6h s SER 39 Ca 0.00 -0.84 -0.31 0.00 0.48 0.00 0.00 55.95 55.28 1s6h s SER 39 Cb 0.00 0.44 -0.13 0.00 0.10 0.00 0.00 66.02 66.43 1s6h s SER 39 CO 0.00 -0.89 1.53 1.57 0.98 0.00 0.00 173.24 176.44 1s6h n HIS 40 N -0.21 2.50 0.00 5.02 -0.00 -1.26 -4.29 115.22 116.97 1s6h n HIS 40 Ca -0.08 0.30 0.00 0.00 0.46 0.00 0.00 57.72 58.40 1s6h n HIS 40 Cb 0.63 -2.55 0.00 0.00 -0.12 0.00 0.00 29.99 27.95 1s6h n HIS 40 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 1s6h n PHE 41 N 2.42 0.00 -3.71 1.57 -1.74 -0.30 -4.94 117.46 110.77 1s6h n PHE 41 Ca 0.12 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.92 1s6h n PHE 41 Cb 0.33 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.31 1s6h n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1s6h s GLY 43 N -2.86 1.77 0.31 0.00 0.00 0.69 -0.79 107.32 106.45 1s6h s GLY 43 Ca 0.08 -2.07 -0.19 0.00 0.00 0.00 0.00 44.72 42.54 1s6h s GLY 43 CO 0.00 -1.67 0.83 -0.32 0.00 0.00 0.00 173.10 171.93 1s6h s GLY 44 N -4.62 0.16 -0.04 0.20 0.00 -0.94 -3.63 107.32 98.44 1s6h s GLY 44 Ca 0.60 -0.50 0.03 0.00 0.00 0.00 0.00 44.72 44.85 1s6h s GLY 44 CO 0.38 0.18 -0.12 -0.56 0.00 0.00 0.00 173.10 172.97 1s6h s SER 45 N -3.07 1.64 -0.29 1.64 0.01 -0.09 -1.33 113.70 112.22 1s6h s SER 45 Ca 0.15 -0.27 -0.29 0.00 1.31 0.00 0.00 55.95 56.85 1s6h s SER 45 Cb -0.05 -0.56 0.01 0.00 0.21 0.00 0.00 66.02 65.64 1s6h s SER 45 CO 0.09 0.08 1.09 -0.22 0.41 0.00 0.00 173.24 174.68 1s6h s LEU 46 N 0.33 3.98 0.00 2.44 2.96 -0.31 -0.80 118.68 127.27 1s6h s LEU 46 Ca -0.07 1.17 0.00 0.00 -0.22 0.00 0.00 54.13 55.00 1s6h s LEU 46 Cb -0.12 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1s6h s LEU 46 CO 0.02 -0.84 0.27 2.30 -1.32 0.00 0.00 176.35 176.78 1s6h n ILE 47 N 5.73 0.00 -3.57 6.68 -6.64 -0.63 -1.55 119.36 119.38 1s6h n ILE 47 Ca 0.12 -0.47 -0.11 0.00 -1.77 0.00 0.00 62.75 60.52 1s6h n ILE 47 Cb 0.47 1.03 -0.04 0.00 -1.44 0.00 0.00 39.64 39.66 1s6h n ILE 47 CO 0.00 0.00 0.00 0.21 -1.77 0.00 0.00 176.55 174.99 1s6h s ASN 48 N -0.40 -0.35 0.58 7.28 3.84 -1.06 -4.79 114.94 120.04 1s6h s ASN 48 Ca 0.00 -0.15 0.28 0.00 0.21 0.00 0.00 52.86 53.20 1s6h s ASN 48 Cb 0.00 0.51 1.52 0.00 -0.55 0.00 0.00 41.25 42.73 1s6h s ASN 48 CO 0.00 -0.85 1.98 0.77 -2.79 0.00 0.00 177.10 176.21 1s6h h SER 49 N 2.36 0.00 -0.14 -4.21 4.64 -1.95 -2.18 113.55 112.07 1s6h h SER 49 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1s6h h SER 49 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1s6h h SER 49 CO 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.40 1s6h n GLN 50 N -3.87 1.86 -3.90 4.77 6.02 -1.26 -0.38 117.38 120.62 1s6h n GLN 50 Ca 0.07 -1.50 -0.14 0.00 -0.01 0.00 0.00 57.00 55.42 1s6h n GLN 50 Cb 0.55 -1.15 -0.15 0.00 1.02 0.00 0.00 30.24 30.51 1s6h n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1s6h s TRP 51 N -0.84 0.12 -0.06 1.08 0.52 -0.82 -0.57 118.94 118.37 1s6h s TRP 51 Ca 0.12 0.02 0.02 0.00 0.02 0.00 0.00 56.10 56.27 1s6h s TRP 51 Cb 0.07 -0.17 -0.03 0.00 -1.15 0.00 0.00 33.47 32.19 1s6h s TRP 51 CO 0.09 -0.04 -0.10 0.08 0.02 0.00 0.00 176.95 177.00 1s6h s VAL 52 N 0.41 3.45 -0.10 4.03 1.01 -0.40 -1.61 120.40 127.19 1s6h s VAL 52 Ca -0.04 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1s6h s VAL 52 Cb -0.06 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1s6h s VAL 52 CO -0.01 0.59 -0.02 0.54 0.00 0.00 0.00 175.10 176.20 1s6h s VAL 53 N -0.72 4.08 0.00 2.92 0.11 0.02 -0.80 120.40 126.01 1s6h s VAL 53 Ca 0.11 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 1s6h s VAL 53 Cb -0.11 -2.72 0.00 0.00 -1.53 0.00 0.00 36.38 32.02 1s6h s VAL 53 CO 0.01 0.58 0.00 -0.24 -3.33 0.00 0.00 175.10 172.12 1s6h n SER 54 N 2.47 0.00 -4.81 3.54 2.88 0.09 -0.91 113.62 116.88 1s6h n SER 54 Ca -0.18 -0.65 -0.36 0.00 -1.33 0.00 0.00 58.87 56.35 1s6h n SER 54 Cb 0.53 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.92 1s6h n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s6h s ALA 55 N -1.59 3.78 0.50 -1.46 0.00 -1.26 -1.27 121.76 120.46 1s6h s ALA 55 Ca 0.00 -0.63 0.19 0.00 0.00 0.00 0.00 51.96 51.52 1s6h s ALA 55 Cb 0.00 -2.09 1.31 0.00 0.00 0.00 0.00 23.12 22.34 1s6h s ALA 55 CO 0.00 0.41 2.11 0.00 0.00 0.00 0.00 175.76 178.28 1s6h h ALA 56 N 5.70 1.75 0.00 0.00 0.00 -1.69 -2.26 119.26 122.76 1s6h h ALA 56 Ca -0.49 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1s6h h ALA 56 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1s6h h ALA 56 CO 0.66 0.09 0.00 -2.39 0.00 0.00 0.00 179.25 177.60 1s6h n HIS 57 N -4.26 0.65 0.87 0.00 1.44 -1.26 -1.30 115.22 111.36 1s6h n HIS 57 Ca -0.03 0.25 0.11 0.00 -2.01 0.00 0.00 57.72 56.04 1s6h n HIS 57 Cb 0.15 -0.91 0.51 0.00 0.12 0.00 0.00 29.99 29.86 1s6h n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1s6h n TYR 59 N -1.42 1.55 -4.08 0.00 9.36 -0.42 -5.01 117.16 117.15 1s6h n TYR 59 Ca 0.07 0.61 -0.12 0.00 3.32 0.00 0.00 57.90 61.78 1s6h n TYR 59 Cb 0.23 -2.33 -0.11 0.00 -0.63 0.00 0.00 39.34 36.50 1s6h n TYR 59 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1s6h s LYS 60 N -0.64 0.58 0.49 2.98 -0.14 -1.26 -5.07 119.74 116.67 1s6h s LYS 60 Ca 0.69 -0.87 0.28 0.00 -1.36 0.00 0.00 55.97 54.70 1s6h s LYS 60 Cb -0.76 -0.26 0.83 0.00 -1.68 0.00 0.00 37.83 35.96 1s6h s LYS 60 CO 0.53 0.03 1.79 0.66 -0.76 0.00 0.00 175.35 177.60 1s6h h SER 61 N 4.19 0.00 -3.70 2.83 4.64 -2.00 -3.42 113.55 116.09 1s6h h SER 61 Ca -0.36 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.48 1s6h h SER 61 Cb 1.19 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.97 1s6h h SER 61 CO 0.46 0.02 -0.81 -0.13 -0.87 0.00 0.00 176.83 175.50 1s6h s ARG 62 N -3.43 1.37 -0.10 4.77 0.52 -1.26 -5.00 118.95 115.82 1s6h s ARG 62 Ca 0.04 -0.40 -0.06 0.00 -0.52 0.00 0.00 55.73 54.80 1s6h s ARG 62 Cb 0.07 -1.20 0.04 0.00 0.52 0.00 0.00 34.95 34.38 1s6h s ARG 62 CO 0.61 0.11 0.23 0.42 0.02 0.00 0.00 175.30 176.69 1s6h s ILE 63 N 0.34 -0.03 -0.20 1.52 1.01 -1.26 -4.82 121.20 117.76 1s6h s ILE 63 Ca -0.07 0.12 -0.08 0.00 0.00 0.00 0.00 60.65 60.62 1s6h s ILE 63 Cb -0.12 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 1s6h s ILE 63 CO 0.02 0.05 0.07 -1.58 0.00 0.00 0.00 174.94 173.50 1s6h s GLN 64 N 0.99 3.94 -0.19 2.79 0.74 -0.03 -1.09 119.66 126.81 1s6h s GLN 64 Ca -0.07 -0.36 -0.17 0.00 0.05 0.00 0.00 55.36 54.81 1s6h s GLN 64 Cb -0.08 -3.26 -0.04 0.00 1.10 0.00 0.00 33.01 30.72 1s6h s GLN 64 CO -0.06 0.18 0.45 0.08 -0.55 0.00 0.00 175.29 175.39 1s6h s VAL 65 N 0.63 5.16 -0.33 1.34 1.01 0.02 -0.80 120.40 127.44 1s6h s VAL 65 Ca 0.04 0.83 -0.04 0.00 0.00 0.00 0.00 61.98 62.81 1s6h s VAL 65 Cb -0.13 -3.78 0.05 0.00 0.00 0.00 0.00 36.38 32.52 1s6h s VAL 65 CO 0.01 0.24 0.07 -0.13 0.00 0.00 0.00 175.10 175.29 1s6h s ARG 66 N 1.33 2.45 0.26 2.72 0.52 0.48 -0.89 118.95 125.82 1s6h s ARG 66 Ca 0.22 -1.31 0.06 0.00 -0.52 0.00 0.00 55.73 54.18 1s6h s ARG 66 Cb -0.15 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 31.95 1s6h s ARG 66 CO 0.09 -0.70 0.33 -0.51 0.02 0.00 0.00 175.30 174.53 1s6h s LEU 67 N 1.29 4.13 -0.56 2.53 1.02 0.09 -1.25 118.68 125.94 1s6h s LEU 67 Ca -0.02 -0.06 0.00 0.00 0.02 0.00 0.00 54.13 54.07 1s6h s LEU 67 Cb -0.20 -2.69 0.00 0.00 0.02 0.00 0.00 46.19 43.31 1s6h s LEU 67 CO -0.00 -0.11 0.00 0.61 0.02 0.00 0.00 176.35 176.87 1s6h n GLY 69 N -1.37 0.77 3.85 -3.19 0.00 -1.26 -0.98 105.19 103.00 1s6h n GLY 69 Ca -0.08 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 1s6h n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s6h s GLU 70 N -2.04 4.02 0.06 1.61 0.41 -1.26 -3.92 118.70 117.57 1s6h s GLU 70 Ca 0.00 0.64 0.00 0.00 -0.41 0.00 0.00 54.97 55.20 1s6h s GLU 70 Cb 0.00 -2.57 0.00 0.00 -1.78 0.00 0.00 34.13 29.78 1s6h s GLU 70 CO 0.00 0.24 0.00 1.58 -0.49 0.00 0.00 175.26 176.59 1s6h n HIS 71 N -0.06 -0.01 -2.97 1.61 -0.00 -1.26 -4.66 115.22 107.87 1s6h n HIS 71 Ca 0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.31 1s6h n HIS 71 Cb 0.53 0.01 -0.05 0.00 -0.00 0.00 0.00 29.99 30.47 1s6h n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1s6h s ASN 72 N -5.58 6.33 0.00 0.26 3.84 -1.25 -2.11 114.94 116.42 1s6h s ASN 72 Ca 0.00 -0.41 0.17 0.00 0.21 0.00 0.00 52.86 52.82 1s6h s ASN 72 Cb 0.00 -2.38 0.72 0.00 -0.55 0.00 0.00 41.25 39.04 1s6h s ASN 72 CO 0.00 -1.03 1.54 2.30 -2.79 0.00 0.00 177.10 177.12 1s6h n ILE 73 N 6.02 0.84 0.93 -5.21 -5.35 -0.34 -2.85 119.36 113.40 1s6h n ILE 73 Ca -0.00 0.21 0.11 0.00 -0.27 0.00 0.00 62.75 62.79 1s6h n ILE 73 Cb 0.47 -0.92 0.03 0.00 -1.74 0.00 0.00 39.64 37.48 1s6h n ILE 73 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1s6h n ASP 74 N -1.50 2.23 -3.90 7.28 8.00 -1.26 -4.92 116.55 122.46 1s6h n ASP 74 Ca 0.04 -1.61 -0.16 0.00 0.71 0.00 0.00 54.79 53.77 1s6h n ASP 74 Cb 0.20 0.33 -0.15 0.00 -0.02 0.00 0.00 41.12 41.48 1s6h n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s6h s VAL 75 N -2.19 0.32 -0.60 2.53 1.01 -1.13 -5.10 120.40 115.23 1s6h s VAL 75 Ca 0.20 -0.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.80 1s6h s VAL 75 Cb 0.17 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 36.25 1s6h s VAL 75 CO 0.45 0.12 1.47 -0.76 0.00 0.00 0.00 175.10 176.39 1s6h s LEU 76 N 0.34 3.34 -0.06 3.92 1.43 -1.26 -4.71 118.68 121.68 1s6h s LEU 76 Ca -0.03 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 1s6h s LEU 76 Cb -0.07 -2.89 -0.25 0.00 0.03 0.00 0.00 46.19 43.01 1s6h s LEU 76 CO -0.01 -1.84 0.61 -0.33 0.23 0.00 0.00 176.35 175.01 1s6h h GLU 77 N 11.55 0.16 0.00 1.70 5.08 -1.97 -3.49 114.58 127.60 1s6h h GLU 77 Ca -0.27 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1s6h h GLU 77 Cb 1.10 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1s6h h GLU 77 CO 1.20 0.91 0.00 0.41 -1.00 0.00 0.00 179.01 180.53 1s6h n GLY 78 N 1.74 1.26 0.19 -3.84 0.00 -1.26 -4.99 105.19 98.29 1s6h n GLY 78 Ca -0.22 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.95 1s6h n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s6h n ASN 79 N 0.00 0.62 -4.79 1.61 3.02 -1.26 -4.93 115.26 109.53 1s6h n ASN 79 Ca 0.00 -1.02 -0.34 0.00 -0.03 0.00 0.00 54.58 53.19 1s6h n ASN 79 Cb 0.00 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.12 1s6h n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1s6h s GLU 80 N -2.15 3.72 -0.13 3.52 8.01 -1.25 -4.47 118.70 125.94 1s6h s GLU 80 Ca 0.39 1.42 0.01 0.00 0.01 0.00 0.00 54.97 56.80 1s6h s GLU 80 Cb 0.21 -2.09 0.02 0.00 -4.31 0.00 0.00 34.13 27.96 1s6h s GLU 80 CO 0.39 -0.51 -0.14 -0.65 0.01 0.00 0.00 175.26 174.36 1s6h s GLN 81 N -3.21 2.19 -0.28 1.61 -0.21 -0.15 -4.97 119.66 114.64 1s6h s GLN 81 Ca 0.68 -0.53 -0.09 0.00 0.02 0.00 0.00 55.36 55.45 1s6h s GLN 81 Cb -0.18 -1.98 -0.02 0.00 1.00 0.00 0.00 33.01 31.83 1s6h s GLN 81 CO 0.22 -0.18 0.12 -0.06 -2.12 0.00 0.00 175.29 173.27 1s6h s PHE 82 N 1.33 3.14 -0.04 0.91 0.40 -1.26 -0.73 117.98 121.74 1s6h s PHE 82 Ca 0.01 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1s6h s PHE 82 Cb -0.14 -2.30 0.02 0.00 0.51 0.00 0.00 43.02 41.12 1s6h s PHE 82 CO -0.07 -0.37 -0.02 0.42 0.70 0.00 0.00 175.22 175.88 1s6h s ILE 83 N 1.63 0.34 0.51 0.64 1.01 -0.07 -4.99 121.20 120.27 1s6h s ILE 83 Ca 0.06 -0.01 -0.20 0.00 0.00 0.00 0.00 60.65 60.50 1s6h s ILE 83 Cb -0.16 -0.41 -0.07 0.00 0.01 0.00 0.00 42.46 41.83 1s6h s ILE 83 CO 0.06 0.18 1.07 0.20 0.00 0.00 0.00 174.94 176.45 1s6h s ASN 84 N 1.00 6.12 0.04 3.58 0.01 -1.26 -0.80 114.94 123.63 1s6h s ASN 84 Ca -0.10 2.02 -0.31 0.00 -0.71 0.00 0.00 52.86 53.76 1s6h s ASN 84 Cb -0.14 -2.57 -0.06 0.00 0.41 0.00 0.00 41.25 38.90 1s6h s ASN 84 CO -0.01 -0.94 1.32 0.00 -1.51 0.00 0.00 177.10 175.96 1s6h s ALA 85 N -1.91 3.52 -0.12 0.60 0.00 -0.25 -0.95 121.76 122.65 1s6h s ALA 85 Ca 0.69 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 53.55 1s6h s ALA 85 Cb -0.19 -3.53 -0.24 0.00 0.00 0.00 0.00 23.12 19.16 1s6h s ALA 85 CO 0.23 -0.67 0.35 0.00 0.00 0.00 0.00 175.76 175.66 1s6h n ALA 86 N 4.54 1.10 -2.85 0.00 0.00 0.96 -4.79 120.51 119.47 1s6h n ALA 86 Ca 0.11 -0.71 -0.13 0.00 0.00 0.00 0.00 53.44 52.71 1s6h n ALA 86 Cb 0.44 -0.63 -0.14 0.00 0.00 0.00 0.00 19.45 19.13 1s6h n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1s6h s LYS 87 N -2.56 0.19 -0.24 0.00 1.02 -1.16 -4.99 119.74 112.01 1s6h s LYS 87 Ca -0.20 -0.17 -0.02 0.00 0.02 0.00 0.00 55.97 55.60 1s6h s LYS 87 Cb 0.07 -0.13 0.07 0.00 -0.52 0.00 0.00 37.83 37.33 1s6h s LYS 87 CO 0.76 0.03 0.05 0.42 -0.92 0.00 0.00 175.35 175.69 1s6h s ILE 88 N -0.28 0.71 -0.30 2.17 1.01 -1.26 -0.70 121.20 122.55 1s6h s ILE 88 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.75 1s6h s ILE 88 Cb -0.02 -1.30 0.06 0.00 0.01 0.00 0.00 42.46 41.21 1s6h s ILE 88 CO -0.00 -0.36 -0.02 -0.63 0.00 0.00 0.00 174.94 173.93 1s6h s ILE 89 N 1.75 2.65 0.30 2.92 1.01 0.04 -4.99 121.20 124.88 1s6h s ILE 89 Ca 0.02 -1.61 -0.17 0.00 0.00 0.00 0.00 60.65 58.90 1s6h s ILE 89 Cb -0.17 -2.60 -0.09 0.00 0.01 0.00 0.00 42.46 39.61 1s6h s ILE 89 CO -0.14 -0.16 0.75 0.42 0.00 0.00 0.00 174.94 175.81 1s6h s THR 90 N 1.16 4.61 0.22 2.92 -4.23 -1.26 -0.69 115.64 118.37 1s6h s THR 90 Ca -0.04 1.10 -0.32 0.00 -1.18 0.00 0.00 61.69 61.25 1s6h s THR 90 Cb -0.20 -3.69 -0.13 0.00 1.34 0.00 0.00 72.50 69.82 1s6h s THR 90 CO -0.03 -0.07 1.51 1.57 -0.54 0.00 0.00 174.62 177.05 1s6h n HIS 91 N -0.05 2.35 0.31 3.99 -0.00 -0.57 -4.85 115.22 116.39 1s6h n HIS 91 Ca 0.02 0.33 0.18 0.00 0.46 0.00 0.00 57.72 58.71 1s6h n HIS 91 Cb 0.53 -2.52 0.98 0.00 -0.12 0.00 0.00 29.99 28.85 1s6h n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1s6h h PRO 92 N 4.99 0.00 -0.40 1.57 0.13 -1.93 -1.59 132.00 134.77 1s6h h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1s6h h PRO 92 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1s6h h PRO 92 CO 0.82 0.03 0.00 0.09 -0.23 0.00 0.00 178.00 178.70 1s6h n ASN 93 N -3.44 4.28 -4.66 1.44 3.02 -1.26 -4.99 115.26 109.66 1s6h n ASN 93 Ca -0.02 -2.76 -0.47 0.00 -0.03 0.00 0.00 54.58 51.30 1s6h n ASN 93 Cb 0.13 -0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 38.72 1s6h n ASN 93 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1s6h n PHE 94 N 0.14 2.14 -4.09 3.10 7.35 -0.60 -4.64 117.46 120.85 1s6h n PHE 94 Ca 0.22 0.35 -0.33 0.00 -0.76 0.00 0.00 57.45 56.93 1s6h n PHE 94 Cb 0.89 -2.50 -0.16 0.00 0.35 0.00 0.00 39.48 38.06 1s6h n PHE 94 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1s6h s ASN 95 N 0.76 3.36 0.15 -2.13 3.84 -0.95 -5.02 114.94 114.96 1s6h s ASN 95 Ca 0.78 -0.68 0.23 0.00 0.21 0.00 0.00 52.86 53.40 1s6h s ASN 95 Cb -0.72 -1.51 0.90 0.00 -0.55 0.00 0.00 41.25 39.37 1s6h s ASN 95 CO 0.41 -0.02 1.71 0.61 -2.79 0.00 0.00 177.10 177.02 1s6h n GLY 96 N 4.63 -1.37 0.06 1.21 0.00 -1.26 -0.60 105.19 107.86 1s6h n GLY 96 Ca -0.20 -0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 1s6h n GLY 96 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1s6h h ASN 97 N 0.00 0.00 1.30 1.61 -0.73 -1.98 -3.39 115.58 112.40 1s6h h ASN 97 Ca 0.00 -0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.08 1s6h h ASN 97 Cb 0.46 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.05 1s6h h ASN 97 CO 0.00 0.72 -0.27 0.71 -0.37 0.00 0.00 177.43 178.22 1s6h h THR 98 N -1.00 0.00 -0.81 -3.57 1.35 -1.98 -3.47 112.91 103.43 1s6h h THR 98 Ca -0.02 -0.57 -0.32 0.00 -0.55 0.00 0.00 66.41 64.95 1s6h h THR 98 Cb 0.39 1.40 -0.13 0.00 -1.73 0.00 0.00 68.15 68.08 1s6h h THR 98 CO -0.01 0.00 -0.29 0.18 -0.25 0.00 0.00 175.52 175.14 1s6h n LEU 99 N -2.32 -0.94 -4.77 3.87 4.77 0.23 -4.99 117.00 112.84 1s6h n LEU 99 Ca 0.04 0.39 -0.41 0.00 -0.03 0.00 0.00 56.01 56.01 1s6h n LEU 99 Cb 0.45 -2.71 -0.01 0.00 -2.33 0.00 0.00 43.42 38.82 1s6h n LEU 99 CO 0.33 -1.04 1.05 -0.62 -1.33 0.00 0.00 177.39 175.78 1s6h s ASP 100 N -2.54 6.55 -1.24 -1.43 2.15 -1.24 -2.89 116.67 116.03 1s6h s ASP 100 Ca 0.00 2.85 -0.04 0.00 0.43 0.00 0.00 52.55 55.78 1s6h s ASP 100 Cb 0.00 -2.66 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1s6h s ASP 100 CO 0.00 -0.71 1.06 0.59 -0.17 0.00 0.00 175.17 175.94 1s6h n ASN 101 N 0.59 -4.17 -4.45 -0.34 3.02 -1.26 -2.24 115.26 106.41 1s6h n ASN 101 Ca 0.01 -0.56 -0.43 0.00 -0.03 0.00 0.00 54.58 53.57 1s6h n ASN 101 Cb 0.41 -4.92 0.00 0.00 -0.61 0.00 0.00 39.78 34.65 1s6h n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1s6h n ASP 102 N -2.96 4.79 -3.72 6.41 2.03 -1.14 -4.16 116.55 117.80 1s6h n ASP 102 Ca -0.13 -2.91 -0.14 0.00 0.52 0.00 0.00 54.79 52.13 1s6h n ASP 102 Cb 0.61 -1.73 -0.09 0.00 -0.72 0.00 0.00 41.12 39.19 1s6h n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1s6h s ILE 103 N 4.01 0.02 -0.07 5.18 2.07 -1.26 -3.96 121.20 127.19 1s6h s ILE 103 Ca 0.53 -0.14 -0.10 0.00 -1.41 0.00 0.00 60.65 59.53 1s6h s ILE 103 Cb 0.05 -0.63 0.02 0.00 0.13 0.00 0.00 42.46 42.03 1s6h s ILE 103 CO 0.05 -0.08 0.25 -0.32 -1.91 0.00 0.00 174.94 172.93 1s6h s MET 104 N -0.34 0.39 -0.03 3.50 -2.45 -0.40 -1.51 119.30 118.47 1s6h s MET 104 Ca -0.05 0.15 0.03 0.00 -1.25 0.00 0.00 55.69 54.57 1s6h s MET 104 Cb -0.03 0.18 -0.03 0.00 1.25 0.00 0.00 34.83 36.19 1s6h s MET 104 CO 0.02 -0.07 -0.08 -0.51 1.05 0.00 0.00 175.02 175.43 1s6h s LEU 105 N -0.34 3.08 -0.16 4.11 1.43 0.13 -0.73 118.68 126.21 1s6h s LEU 105 Ca -0.04 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1s6h s LEU 105 Cb -0.03 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.49 1s6h s LEU 105 CO 0.01 0.32 -0.15 -0.63 0.23 0.00 0.00 176.35 176.13 1s6h s ILE 106 N -0.89 1.68 -0.14 -0.59 1.01 0.02 -0.78 121.20 121.51 1s6h s ILE 106 Ca 0.15 -0.71 -0.21 0.00 0.00 0.00 0.00 60.65 59.88 1s6h s ILE 106 Cb -0.11 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 1s6h s ILE 106 CO 0.04 0.47 0.60 -0.75 0.00 0.00 0.00 174.94 175.30 1s6h s LYS 107 N 1.44 4.31 0.44 2.79 2.20 0.12 -1.28 119.74 129.77 1s6h s LYS 107 Ca 0.05 0.64 -0.23 0.00 -0.36 0.00 0.00 55.97 56.06 1s6h s LYS 107 Cb -0.13 -3.50 -0.08 0.00 -1.51 0.00 0.00 37.83 32.61 1s6h s LYS 107 CO -0.11 -0.04 1.12 -0.51 -0.36 0.00 0.00 175.35 175.46 1s6h s LEU 108 N 1.22 4.06 0.40 5.43 1.43 0.27 -0.03 118.68 131.46 1s6h s LEU 108 Ca 0.30 2.21 0.16 0.00 -1.03 0.00 0.00 54.13 55.78 1s6h s LEU 108 Cb -0.16 -4.21 0.85 0.00 0.03 0.00 0.00 46.19 42.70 1s6h s LEU 108 CO 0.12 -0.75 1.86 0.28 0.23 0.00 0.00 176.35 178.09 1s6h h SER 109 N 2.23 0.00 -4.72 2.29 0.02 -1.35 -3.42 113.55 108.60 1s6h h SER 109 Ca -0.49 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.21 1s6h h SER 109 Cb 1.23 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.59 1s6h h SER 109 CO 0.61 0.32 -0.72 -0.94 -1.14 0.00 0.00 176.83 174.97 1s6h s SER 110 N -6.71 0.95 0.40 3.07 1.04 -1.26 -5.01 113.70 106.18 1s6h s SER 110 Ca -0.02 -0.75 -0.26 0.00 0.48 0.00 0.00 55.95 55.40 1s6h s SER 110 Cb 0.14 0.07 -0.09 0.00 0.10 0.00 0.00 66.02 66.23 1s6h s SER 110 CO 0.69 -0.32 1.32 -2.84 0.98 0.00 0.00 173.24 173.07 1s6h s PRO 111 N -2.55 3.98 0.50 4.02 0.02 -1.26 -4.89 135.00 134.83 1s6h s PRO 111 Ca -0.01 2.20 -0.23 0.00 0.02 0.00 0.00 61.00 62.99 1s6h s PRO 111 Cb -0.03 -2.78 -0.06 0.00 0.02 0.00 0.00 34.50 31.64 1s6h s PRO 111 CO -0.02 -0.50 1.29 0.00 -0.33 0.00 0.00 177.00 177.44 1s6h s ALA 112 N -1.24 2.92 -0.28 -1.55 0.00 0.49 -4.99 121.76 117.11 1s6h s ALA 112 Ca 0.56 1.19 -0.17 0.00 0.00 0.00 0.00 51.96 53.55 1s6h s ALA 112 Cb -0.39 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.20 1s6h s ALA 112 CO 0.51 -1.08 0.45 0.99 0.00 0.00 0.00 175.76 176.62 1s6h s THR 113 N -1.38 5.11 -0.02 0.00 2.01 -1.26 -4.84 115.64 115.25 1s6h s THR 113 Ca 0.67 0.65 -0.24 0.00 0.31 0.00 0.00 61.69 63.08 1s6h s THR 113 Cb -0.36 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1s6h s THR 113 CO 0.44 0.07 0.74 -0.76 -0.69 0.00 0.00 174.62 174.42 1s6h s LEU 114 N 2.22 4.37 0.00 4.42 1.43 -1.26 -4.72 118.68 125.13 1s6h s LEU 114 Ca 0.18 1.31 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 1s6h s LEU 114 Cb -0.16 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 42.89 1s6h s LEU 114 CO 0.10 -0.08 0.00 -0.46 0.23 0.00 0.00 176.35 176.14 1s6h n ASN 115 N 3.46 0.00 0.20 2.29 0.23 0.05 -4.98 115.26 116.51 1s6h n ASN 115 Ca -0.01 -0.61 0.05 0.00 -0.53 0.00 0.00 54.58 53.47 1s6h n ASN 115 Cb 0.51 0.00 0.43 0.00 -2.08 0.00 0.00 39.78 38.64 1s6h n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1s6h h SER 116 N 0.00 0.00 0.32 0.53 4.64 -1.99 -3.11 113.55 113.94 1s6h h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s6h h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1s6h h SER 116 CO 0.00 0.31 -0.94 0.54 -0.87 0.00 0.00 176.83 175.87 1s6h n ARG 117 N -4.01 0.17 -3.70 4.77 5.12 -1.26 -4.80 116.66 112.95 1s6h n ARG 117 Ca -0.02 -0.01 -0.26 0.00 -1.93 0.00 0.00 57.85 55.63 1s6h n ARG 117 Cb 0.37 -1.55 -0.17 0.00 -1.16 0.00 0.00 32.46 29.95 1s6h n ARG 117 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1s6h s VAL 118 N -3.12 0.28 0.01 1.55 1.01 -1.17 -4.25 120.40 114.72 1s6h s VAL 118 Ca 0.06 -0.27 -0.14 0.00 0.00 0.00 0.00 61.98 61.63 1s6h s VAL 118 Cb 0.15 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.79 1s6h s VAL 118 CO 0.80 -0.13 0.29 0.00 0.00 0.00 0.00 175.10 176.06 1s6h s ALA 119 N 1.98 -0.69 0.58 5.51 0.00 -0.81 -0.77 121.76 127.57 1s6h s ALA 119 Ca 0.01 0.13 -0.14 0.00 0.00 0.00 0.00 51.96 51.96 1s6h s ALA 119 Cb -0.16 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 1s6h s ALA 119 CO -0.08 -0.32 1.02 0.95 0.00 0.00 0.00 175.76 177.33 1s6h s THR 120 N -1.90 4.40 -0.04 0.00 -4.23 -1.26 -3.10 115.64 109.51 1s6h s THR 120 Ca -0.10 0.99 0.03 0.00 -1.18 0.00 0.00 61.69 61.43 1s6h s THR 120 Cb -0.03 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.11 1s6h s THR 120 CO 0.01 -0.82 -0.11 0.54 -0.54 0.00 0.00 174.62 173.70 1s6h s VAL 121 N -2.82 3.36 0.45 2.29 0.11 -0.59 -4.84 120.40 118.36 1s6h s VAL 121 Ca 0.58 -0.68 -0.25 0.00 -2.93 0.00 0.00 61.98 58.71 1s6h s VAL 121 Cb -0.12 -2.36 -0.08 0.00 -1.53 0.00 0.00 36.38 32.29 1s6h s VAL 121 CO 0.42 0.55 1.35 -0.44 -3.33 0.00 0.00 175.10 173.65 1s6h s SER 122 N -0.91 5.93 0.77 3.54 0.01 -1.25 -4.60 113.70 117.19 1s6h s SER 122 Ca 0.13 2.75 -0.11 0.00 1.31 0.00 0.00 55.95 60.03 1s6h s SER 122 Cb -0.11 -2.64 0.05 0.00 0.21 0.00 0.00 66.02 63.53 1s6h s SER 122 CO 0.02 -1.12 1.08 -0.76 0.41 0.00 0.00 173.24 172.88 1s6h s LEU 123 N -2.79 2.82 0.29 2.44 1.43 -1.26 -0.92 118.68 120.68 1s6h s LEU 123 Ca 0.62 1.53 -0.29 0.00 -1.03 0.00 0.00 54.13 54.95 1s6h s LEU 123 Cb -0.40 -4.23 -0.10 0.00 0.03 0.00 0.00 46.19 41.49 1s6h s LEU 123 CO 0.51 -1.88 1.31 -2.84 0.23 0.00 0.00 176.35 173.67 1s6h s PRO 124 N -5.04 4.37 0.08 1.29 0.02 -1.26 -4.69 135.00 129.77 1s6h s PRO 124 Ca 0.60 2.16 0.10 0.00 0.02 0.00 0.00 61.00 63.88 1s6h s PRO 124 Cb -0.15 -3.11 -0.19 0.00 0.02 0.00 0.00 34.50 31.07 1s6h s PRO 124 CO 0.55 -0.20 1.10 0.00 -0.33 0.00 0.00 177.00 178.12 1s6h h ARG 125 N 4.02 0.00 -4.08 5.54 3.08 -1.96 -3.48 114.38 117.51 1s6h h ARG 125 Ca -0.48 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.44 1s6h h ARG 125 Cb 1.22 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.14 1s6h h ARG 125 CO 0.69 0.79 -0.41 -1.54 -1.07 0.00 0.00 179.97 178.43 1s6h s SER 127 N -6.48 0.10 0.79 7.04 1.04 -1.26 -5.16 113.70 109.78 1s6h s SER 127 Ca -0.01 -1.03 -0.12 0.00 0.48 0.00 0.00 55.95 55.28 1s6h s SER 127 Cb 0.09 0.41 0.07 0.00 0.10 0.00 0.00 66.02 66.70 1s6h s SER 127 CO 0.82 -0.88 1.13 0.00 0.98 0.00 0.00 173.24 175.29 1s6h s ALA 129 N -2.57 3.79 0.58 0.00 0.00 -1.26 -5.07 121.76 117.24 1s6h s ALA 129 Ca 0.66 -0.47 -0.19 0.00 0.00 0.00 0.00 51.96 51.96 1s6h s ALA 129 Cb -0.22 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 1s6h s ALA 129 CO 0.52 0.60 1.22 0.00 0.00 0.00 0.00 175.76 178.10 1s6h s ALA 130 N -1.28 2.58 0.35 0.00 0.00 -1.26 -4.96 121.76 117.20 1s6h s ALA 130 Ca 0.28 1.05 -0.29 0.00 0.00 0.00 0.00 51.96 53.00 1s6h s ALA 130 Cb -0.14 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.40 1s6h s ALA 130 CO 0.15 -1.18 1.48 0.00 0.00 0.00 0.00 175.76 176.22 1s6h n ALA 132 N -1.50 2.23 -0.27 0.00 0.00 -1.26 -2.04 120.51 117.67 1s6h n ALA 132 Ca 0.13 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1s6h n ALA 132 Cb 0.49 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1s6h n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s6h n GLY 133 N 0.93 1.49 3.72 0.00 0.00 0.31 -4.98 105.19 106.66 1s6h n GLY 133 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1s6h n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s6h n THR 134 N -2.00 0.16 -2.66 2.61 -1.04 -0.86 -4.65 114.28 105.83 1s6h n THR 134 Ca 0.00 -0.04 -0.40 0.00 -2.04 0.00 0.00 64.05 61.57 1s6h n THR 134 Cb 0.00 -1.98 -0.05 0.00 -1.82 0.00 0.00 70.33 66.48 1s6h n THR 134 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1s6h s GLU 135 N 0.91 4.78 0.24 -2.82 2.12 -1.26 -1.06 118.70 121.61 1s6h s GLU 135 Ca 0.73 1.59 0.03 0.00 0.36 0.00 0.00 54.97 57.68 1s6h s GLU 135 Cb -0.51 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 30.57 1s6h s GLU 135 CO 0.35 0.40 0.04 0.00 -0.54 0.00 0.00 175.26 175.50 1s6h s LEU 137 N -3.30 2.02 -0.05 0.00 2.96 0.56 -1.42 118.68 119.43 1s6h s LEU 137 Ca 0.31 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 1s6h s LEU 137 Cb 0.07 -1.39 -0.03 0.00 0.50 0.00 0.00 46.19 45.33 1s6h s LEU 137 CO 0.10 0.00 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.42 1s6h s ILE 138 N 1.23 3.58 0.04 6.68 1.01 0.10 -1.36 121.20 132.48 1s6h s ILE 138 Ca 0.02 -0.57 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 1s6h s ILE 138 Cb -0.14 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.88 1s6h s ILE 138 CO -0.10 0.57 0.26 -0.94 0.00 0.00 0.00 174.94 174.73 1s6h s SER 139 N -0.89 -0.07 0.00 3.58 1.04 -1.20 -0.87 113.70 115.29 1s6h s SER 139 Ca 0.13 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1s6h s SER 139 Cb -0.11 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1s6h s SER 139 CO 0.02 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1s6h n GLY 140 N 0.65 0.89 1.67 7.32 0.00 -0.36 -4.31 105.19 111.05 1s6h n GLY 140 Ca -0.19 -1.02 -0.05 0.00 0.00 0.00 0.00 46.02 44.76 1s6h n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1s6h n TRP 141 N -0.57 2.00 -1.32 1.61 8.01 -1.26 -2.05 117.44 123.86 1s6h n TRP 141 Ca 0.00 -1.29 -0.26 0.00 -1.31 0.00 0.00 57.50 54.64 1s6h n TRP 141 Cb 0.00 -0.61 0.21 0.00 -2.01 0.00 0.00 31.31 28.89 1s6h n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1s6h n GLY 142 N -0.51 -2.23 3.70 6.99 0.00 -1.25 -4.29 105.19 107.60 1s6h n GLY 142 Ca 0.38 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 1s6h n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1s6h n ASN 143 N -4.31 2.94 -0.66 1.61 5.15 0.00 -3.27 115.26 116.73 1s6h n ASN 143 Ca 0.14 1.17 0.08 0.00 -0.60 0.00 0.00 54.58 55.38 1s6h n ASN 143 Cb 0.52 -1.48 0.07 0.00 -0.53 0.00 0.00 39.78 38.36 1s6h n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1s6h n THR 144 N 1.24 0.00 -4.36 -0.44 -2.24 -0.39 -0.88 114.28 107.21 1s6h n THR 144 Ca 0.08 -0.49 -0.34 0.00 -2.27 0.00 0.00 64.05 61.03 1s6h n THR 144 Cb 0.34 1.34 -0.09 0.00 -2.10 0.00 0.00 70.33 69.82 1s6h n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1s6h s LYS 145 N -1.41 2.90 0.16 -0.78 3.01 -1.26 -4.37 119.74 117.99 1s6h s LYS 145 Ca 0.19 -0.48 0.24 0.00 -1.01 0.00 0.00 55.97 54.91 1s6h s LYS 145 Cb 0.14 -2.74 0.31 0.00 -1.01 0.00 0.00 37.83 34.53 1s6h s LYS 145 CO 0.22 0.67 1.31 0.66 0.51 0.00 0.00 175.35 178.73 1s6h h SER 146 N 4.88 0.00 -3.47 2.83 4.64 -1.94 -3.44 113.55 117.06 1s6h h SER 146 Ca -0.50 -0.15 -0.41 0.00 -0.47 0.00 0.00 61.79 60.26 1s6h h SER 146 Cb 1.19 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.94 1s6h h SER 146 CO 0.55 0.08 -0.77 -0.44 -0.87 0.00 0.00 176.83 175.38 1s6h s SER 147 N -4.56 0.91 0.27 4.97 0.01 -1.26 -4.95 113.70 109.10 1s6h s SER 147 Ca 0.05 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1s6h s SER 147 Cb 0.12 -0.44 0.00 0.00 0.21 0.00 0.00 66.02 65.91 1s6h s SER 147 CO 0.72 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.93 1s6h n GLY 148 N 4.02 0.11 3.42 3.44 0.00 -1.26 -4.95 105.19 109.96 1s6h n GLY 148 Ca -0.25 -0.96 -0.07 0.00 0.00 0.00 0.00 46.02 44.74 1s6h n GLY 148 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s6h s SER 149 N -4.00 -0.64 -0.15 1.61 0.15 -1.26 -4.69 113.70 104.72 1s6h s SER 149 Ca 0.00 1.20 -0.07 0.00 0.70 0.00 0.00 55.95 57.78 1s6h s SER 149 Cb 0.00 1.49 0.06 0.00 -1.71 0.00 0.00 66.02 65.86 1s6h s SER 149 CO 0.00 -0.22 0.34 -0.55 1.20 0.00 0.00 173.24 174.00 1s6h s SER 150 N 2.31 -0.26 -0.24 5.45 0.15 -1.26 -4.96 113.70 114.88 1s6h s SER 150 Ca -0.06 0.74 -0.05 0.00 0.70 0.00 0.00 55.95 57.28 1s6h s SER 150 Cb -0.10 0.73 -0.01 0.00 -1.71 0.00 0.00 66.02 64.92 1s6h s SER 150 CO -0.15 -0.20 0.01 -0.31 1.20 0.00 0.00 173.24 173.79 1s6h s TYR 151 N 1.70 3.03 0.60 3.44 1.51 -1.26 -1.26 117.35 125.10 1s6h s TYR 151 Ca -0.07 -0.79 -0.13 0.00 -1.01 0.00 0.00 57.07 55.06 1s6h s TYR 151 Cb -0.10 -2.17 -0.04 0.00 -0.11 0.00 0.00 41.96 39.54 1s6h s TYR 151 CO -0.11 -0.50 1.03 -1.25 -1.11 0.00 0.00 175.55 173.61 1s6h s PRO 152 N 1.52 3.54 0.03 -1.71 0.04 -1.26 -4.98 135.00 132.18 1s6h s PRO 152 Ca 0.05 0.92 -0.06 0.00 0.04 0.00 0.00 61.00 61.95 1s6h s PRO 152 Cb -0.15 -2.07 -0.30 0.00 0.04 0.00 0.00 34.50 32.02 1s6h s PRO 152 CO -0.00 -0.61 0.97 0.77 0.04 0.00 0.00 177.00 178.17 1s6h h SER 153 N 0.11 0.50 -2.87 6.66 0.02 -1.94 -3.47 113.55 112.56 1s6h h SER 153 Ca -0.45 -0.60 -0.67 0.00 -0.84 0.00 0.00 61.79 59.23 1s6h h SER 153 Cb 1.20 -0.16 -0.09 0.00 0.14 0.00 0.00 62.40 63.49 1s6h h SER 153 CO 0.60 1.48 -0.52 -0.76 -1.14 0.00 0.00 176.83 176.49 1s6h s LEU 154 N -7.17 4.15 0.30 5.07 1.43 -1.26 -1.20 118.68 120.01 1s6h s LEU 154 Ca -0.08 0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 53.06 1s6h s LEU 154 Cb 0.06 -2.13 -0.12 0.00 0.03 0.00 0.00 46.19 44.03 1s6h s LEU 154 CO 0.88 0.36 1.55 -0.11 0.23 0.00 0.00 176.35 179.26 1s6h n LEU 155 N 1.74 4.23 -4.78 1.79 7.94 -0.90 -4.88 117.00 122.13 1s6h n LEU 155 Ca -0.17 1.16 -0.32 0.00 -1.11 0.00 0.00 56.01 55.56 1s6h n LEU 155 Cb 0.54 -1.57 -0.07 0.00 0.53 0.00 0.00 43.42 42.85 1s6h n LEU 155 CO 0.33 0.05 -0.26 -1.10 -1.11 0.00 0.00 177.39 175.31 1s6h s GLN 156 N -0.71 3.01 0.13 1.96 -1.52 -0.87 -1.17 119.66 120.49 1s6h s GLN 156 Ca 0.63 -0.54 0.06 0.00 -1.95 0.00 0.00 55.36 53.56 1s6h s GLN 156 Cb -0.51 -2.82 -0.04 0.00 -0.22 0.00 0.00 33.01 29.42 1s6h s GLN 156 CO 0.51 0.63 -0.14 0.00 -0.25 0.00 0.00 175.29 176.04 1s6h s LEU 158 N -2.59 -0.18 -0.14 0.00 2.96 -0.05 -1.45 118.68 117.22 1s6h s LEU 158 Ca 0.11 0.95 -0.17 0.00 -0.22 0.00 0.00 54.13 54.79 1s6h s LEU 158 Cb -0.04 1.43 -0.04 0.00 0.50 0.00 0.00 46.19 48.04 1s6h s LEU 158 CO 0.03 -0.20 0.44 -0.54 -1.32 0.00 0.00 176.35 174.76 1s6h s LYS 159 N 1.45 4.29 -0.11 1.98 -0.14 -1.26 -0.72 119.74 125.23 1s6h s LYS 159 Ca -0.09 0.36 -0.23 0.00 -1.36 0.00 0.00 55.97 54.65 1s6h s LYS 159 Cb -0.08 -3.46 0.05 0.00 -1.68 0.00 0.00 37.83 32.66 1s6h s LYS 159 CO -0.13 0.11 0.55 0.00 -0.76 0.00 0.00 175.35 175.12 1s6h s ALA 160 N 0.80 -1.39 0.28 5.17 0.00 -0.51 -4.98 121.76 121.13 1s6h s ALA 160 Ca 0.23 1.21 -0.09 0.00 0.00 0.00 0.00 51.96 53.31 1s6h s ALA 160 Cb -0.15 -0.37 -0.07 0.00 0.00 0.00 0.00 23.12 22.54 1s6h s ALA 160 CO 0.09 -0.30 0.60 -1.25 0.00 0.00 0.00 175.76 174.89 1s6h s PRO 161 N -0.61 3.76 0.14 0.00 0.04 -1.26 -0.42 135.00 136.65 1s6h s PRO 161 Ca -0.07 0.25 -0.31 0.00 0.04 0.00 0.00 61.00 60.91 1s6h s PRO 161 Cb -0.03 -2.59 -0.10 0.00 0.04 0.00 0.00 34.50 31.82 1s6h s PRO 161 CO 0.05 0.22 1.65 0.08 0.04 0.00 0.00 177.00 179.04 1s6h s VAL 162 N -2.00 2.62 0.40 -0.36 1.01 -0.22 -1.51 120.40 120.34 1s6h s VAL 162 Ca 0.47 0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.70 1s6h s VAL 162 Cb -0.11 -3.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.00 1s6h s VAL 162 CO 0.25 0.02 0.73 -0.76 0.00 0.00 0.00 175.10 175.34 1s6h s LEU 163 N 1.76 3.83 0.56 3.92 1.43 -0.03 -0.53 118.68 129.62 1s6h s LEU 163 Ca 0.73 1.02 -0.21 0.00 -1.03 0.00 0.00 54.13 54.65 1s6h s LEU 163 Cb -0.44 -3.90 -0.05 0.00 0.03 0.00 0.00 46.19 41.83 1s6h s LEU 163 CO 0.32 -0.40 1.16 -1.54 0.23 0.00 0.00 176.35 176.13 1s6h n SER 164 N -1.42 1.74 -0.17 2.29 3.41 -1.26 -4.64 113.62 113.56 1s6h n SER 164 Ca 0.01 0.91 0.20 0.00 -0.26 0.00 0.00 58.87 59.73 1s6h n SER 164 Cb 0.54 -1.48 0.57 0.00 -0.26 0.00 0.00 64.21 63.59 1s6h n SER 164 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1s6h h ASP 165 N 1.01 0.28 0.15 4.04 3.04 -1.96 -1.31 116.42 121.67 1s6h h ASP 165 Ca -0.49 0.02 -0.01 0.00 -3.24 0.00 0.00 57.03 53.32 1s6h h ASP 165 Cb 1.33 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.60 1s6h h ASP 165 CO 0.54 0.12 -0.07 -1.28 -2.04 0.00 0.00 179.24 176.52 1s6h h SER 166 N 0.28 -0.17 -0.68 4.15 0.87 -1.98 0.90 113.55 116.92 1s6h h SER 166 Ca 0.40 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1s6h h SER 166 Cb 1.14 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.11 1s6h h SER 166 CO -0.11 0.16 0.42 -1.28 -0.53 0.00 0.00 176.83 175.50 1s6h h SER 167 N -0.52 0.81 0.11 6.23 0.87 -1.74 0.38 113.55 119.69 1s6h h SER 167 Ca -0.02 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 1s6h h SER 167 Cb 0.41 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1s6h h SER 167 CO 0.03 0.61 -0.05 0.00 -0.53 0.00 0.00 176.83 176.89 1s6h h LYS 169 N -0.34 0.22 -0.06 0.00 1.57 -0.25 -2.36 116.57 115.35 1s6h h LYS 169 Ca -0.02 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 1s6h h LYS 169 Cb 0.28 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1s6h h LYS 169 CO 0.03 0.72 -0.35 0.66 -0.57 0.00 0.00 179.45 179.94 1s6h h SER 170 N 0.17 0.12 0.38 0.86 4.64 -0.99 -2.95 113.55 115.79 1s6h h SER 170 Ca -0.00 -0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 61.14 1s6h h SER 170 Cb 1.04 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 1s6h h SER 170 CO 0.09 0.47 -0.56 0.28 -0.87 0.00 0.00 176.83 176.23 1s6h h SER 171 N 0.11 0.22 -2.12 4.97 0.02 -1.19 -3.38 113.55 112.19 1s6h h SER 171 Ca 0.01 -0.12 -0.58 0.00 -0.84 0.00 0.00 61.79 60.27 1s6h h SER 171 Cb 0.67 -0.06 -0.40 0.00 0.14 0.00 0.00 62.40 62.75 1s6h h SER 171 CO 0.05 0.74 -0.91 -1.22 -1.14 0.00 0.00 176.83 174.35 1s6h n TYR 172 N -3.90 1.09 -1.67 3.45 4.02 -1.05 -4.88 117.16 114.22 1s6h n TYR 172 Ca -0.02 -3.77 -0.48 0.00 -0.01 0.00 0.00 57.90 53.62 1s6h n TYR 172 Cb 0.59 -0.40 -0.05 0.00 -0.02 0.00 0.00 39.34 39.46 1s6h n TYR 172 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1s6h n PRO 173 N 1.31 2.00 -0.90 -0.72 -0.02 -1.13 -1.71 135.00 133.83 1s6h n PRO 173 Ca 0.25 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1s6h n PRO 173 Cb 0.48 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1s6h n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s6h n GLY 174 N 3.62 0.53 0.04 -1.23 0.00 -1.26 -4.87 105.19 102.01 1s6h n GLY 174 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 1s6h n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s6h n GLN 175 N -1.86 4.35 -3.38 1.61 6.02 -0.70 -4.94 117.38 118.48 1s6h n GLN 175 Ca 0.00 -0.13 -0.40 0.00 -0.01 0.00 0.00 57.00 56.46 1s6h n GLN 175 Cb 0.07 -0.82 -0.09 0.00 1.02 0.00 0.00 30.24 30.41 1s6h n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1s6h s ILE 176 N -1.40 5.15 0.74 5.09 -1.09 -1.25 -5.02 121.20 123.42 1s6h s ILE 176 Ca 0.03 0.18 -0.04 0.00 -2.23 0.00 0.00 60.65 58.59 1s6h s ILE 176 Cb 0.04 -3.81 0.12 0.00 -1.58 0.00 0.00 42.46 37.23 1s6h s ILE 176 CO 0.21 -0.06 1.03 0.42 -1.23 0.00 0.00 174.94 175.31 1s6h s THR 177 N 2.07 2.19 -0.89 2.92 -4.23 -1.26 -4.97 115.64 111.47 1s6h s THR 177 Ca 0.13 -0.46 0.10 0.00 -1.18 0.00 0.00 61.69 60.28 1s6h s THR 177 Cb -0.16 -2.73 0.09 0.00 1.34 0.00 0.00 72.50 71.04 1s6h s THR 177 CO 0.12 0.00 1.31 0.61 -0.54 0.00 0.00 174.62 176.11 1s6h n GLY 178 N -2.94 -0.80 1.90 3.99 0.00 -1.26 -2.62 105.19 103.45 1s6h n GLY 178 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.17 1s6h n GLY 178 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s6h n ASN 179 N -1.62 5.27 -3.97 1.61 3.02 -1.26 -4.94 115.26 113.37 1s6h n ASN 179 Ca 0.02 -3.07 -0.12 0.00 -0.03 0.00 0.00 54.58 51.37 1s6h n ASN 179 Cb 0.09 -0.71 -0.12 0.00 -0.61 0.00 0.00 39.78 38.43 1s6h n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1s6h s MET 180 N -2.88 0.31 0.11 3.52 -1.94 -1.08 -1.00 119.30 116.34 1s6h s MET 180 Ca 0.54 -0.43 0.06 0.00 -1.71 0.00 0.00 55.69 54.15 1s6h s MET 180 Cb 0.43 -0.11 -0.04 0.00 2.01 0.00 0.00 34.83 37.12 1s6h s MET 180 CO 0.14 0.02 -0.15 0.96 -0.01 0.00 0.00 175.02 175.98 1s6h s ILE 181 N -0.87 1.31 -0.11 2.53 -4.36 -0.30 -4.80 121.20 114.60 1s6h s ILE 181 Ca -0.08 -1.61 -0.06 0.00 -0.26 0.00 0.00 60.65 58.64 1s6h s ILE 181 Cb -0.06 -1.43 -0.04 0.00 1.25 0.00 0.00 42.46 42.18 1s6h s ILE 181 CO -0.00 -0.35 0.13 0.00 0.24 0.00 0.00 174.94 174.96 1s6h s VAL 183 N -1.04 0.19 -1.60 0.00 1.01 -0.82 -0.85 120.40 117.29 1s6h s VAL 183 Ca 0.16 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1s6h s VAL 183 Cb -0.12 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 35.98 1s6h s VAL 183 CO 0.05 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.90 1s6h n GLY 184 N 4.08 0.44 3.10 4.51 0.00 -0.57 -3.54 105.19 113.20 1s6h n GLY 184 Ca -0.27 -1.29 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 1s6h n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s6h s PHE 184 N -4.00 -0.47 0.37 1.61 0.40 -1.26 -4.23 117.98 110.39 1s6h s PHE 184 Ca 0.00 1.04 0.23 0.00 -0.60 0.00 0.00 56.93 57.60 1s6h s PHE 184 Cb 0.00 0.08 1.20 0.00 0.51 0.00 0.00 43.02 44.82 1s6h s PHE 184 CO 0.00 -0.33 1.99 -0.07 0.70 0.00 0.00 175.22 177.50 1s6h h LEU 185 N 7.76 0.00 -1.11 -0.37 3.38 -1.95 -2.68 115.31 120.35 1s6h h LEU 185 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1s6h h LEU 185 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1s6h h LEU 185 CO 0.23 0.19 0.00 -0.33 0.09 0.00 0.00 178.44 178.62 1s6h h GLU 186 N 0.00 0.00 -0.59 1.13 3.07 -1.95 0.16 114.58 116.39 1s6h h GLU 186 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1s6h h GLU 186 Cb 0.45 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1s6h h GLU 186 CO 0.02 0.00 -0.15 0.41 -1.40 0.00 0.00 179.01 177.89 1s6h n GLY 187 N 0.07 -2.99 0.00 -3.84 0.00 -1.01 -4.43 105.19 92.99 1s6h n GLY 187 Ca 0.01 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1s6h n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s6h n GLY 188 N -1.69 1.18 2.62 -0.02 0.00 0.05 -4.90 105.19 102.43 1s6h n GLY 188 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1s6h n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s6h s LYS 188 N -0.64 0.14 0.09 1.61 1.02 -1.26 -3.34 119.74 117.35 1s6h s LYS 188 Ca 0.00 -0.15 -0.26 0.00 0.02 0.00 0.00 55.97 55.57 1s6h s LYS 188 Cb 0.00 -1.82 0.08 0.00 -0.52 0.00 0.00 37.83 35.57 1s6h s LYS 188 CO 0.00 -0.69 0.88 0.34 -0.92 0.00 0.00 175.35 174.96 1s6h s ASP 189 N 2.10 -0.31 0.84 2.83 2.15 -0.53 -4.35 116.67 119.40 1s6h s ASP 189 Ca 0.02 -0.18 -0.12 0.00 0.43 0.00 0.00 52.55 52.70 1s6h s ASP 189 Cb -0.16 0.46 0.10 0.00 -0.30 0.00 0.00 42.92 43.02 1s6h s ASP 189 CO -0.11 -0.80 1.17 -0.94 -0.17 0.00 0.00 175.17 174.33 1s6h s SER 190 N -2.71 4.25 0.00 -0.34 1.04 -1.26 -0.68 113.70 114.00 1s6h s SER 190 Ca 0.08 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.32 1s6h s SER 190 Cb -0.01 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 64.80 1s6h s SER 190 CO -0.04 -2.07 0.00 0.00 0.98 0.00 0.00 173.24 172.11 1s6h n GLN 192 N 0.00 2.59 0.00 0.00 3.00 -1.26 -1.83 117.38 119.88 1s6h n GLN 192 Ca 0.00 0.92 0.00 0.00 -0.01 0.00 0.00 57.00 57.91 1s6h n GLN 192 Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 30.24 27.56 1s6h n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1s6h n GLY 193 N 2.20 2.04 0.16 1.08 0.00 -1.26 -0.82 105.19 108.60 1s6h n GLY 193 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.22 1s6h n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s6h h ASP 194 N 0.00 0.00 -1.63 1.61 3.32 -1.68 -3.31 116.42 114.73 1s6h h ASP 194 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 1s6h h ASP 194 Cb 0.00 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.66 1s6h h ASP 194 CO 0.00 0.04 -0.24 -1.20 -1.72 0.00 0.00 179.24 176.12 1s6h n SER 195 N -2.89 -0.15 0.00 6.45 7.64 -1.25 -1.54 113.62 121.89 1s6h n SER 195 Ca 0.01 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1s6h n SER 195 Cb 0.56 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1s6h n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s6h n GLY 196 N 1.66 3.02 3.91 0.23 0.00 0.06 -0.22 105.19 113.86 1s6h n GLY 196 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1s6h n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s6h s GLY 197 N -1.75 1.81 0.25 -0.02 0.00 -0.59 -3.44 107.32 103.59 1s6h s GLY 197 Ca 0.00 -1.32 -0.14 0.00 0.00 0.00 0.00 44.72 43.26 1s6h s GLY 197 CO 0.00 -0.47 0.65 2.56 0.00 0.00 0.00 173.10 175.83 1s6h s PRO 198 N -5.94 3.96 -0.27 2.90 0.04 -1.26 -1.15 135.00 133.28 1s6h s PRO 198 Ca 0.77 0.53 0.03 0.00 0.04 0.00 0.00 61.00 62.37 1s6h s PRO 198 Cb -0.02 -2.62 0.06 0.00 0.04 0.00 0.00 34.50 31.95 1s6h s PRO 198 CO 0.54 0.28 -0.09 0.08 0.04 0.00 0.00 177.00 177.86 1s6h s VAL 199 N -1.80 2.26 -0.16 -0.36 1.01 -0.58 -3.22 120.40 117.55 1s6h s VAL 199 Ca 0.48 -1.66 -0.01 0.00 0.00 0.00 0.00 61.98 60.79 1s6h s VAL 199 Cb -0.12 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1s6h s VAL 199 CO 0.19 -0.08 -0.12 -0.69 0.00 0.00 0.00 175.10 174.41 1s6h s VAL 200 N 1.10 2.96 -0.11 2.92 1.01 -0.47 -1.17 120.40 126.65 1s6h s VAL 200 Ca -0.07 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 1s6h s VAL 200 Cb -0.20 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 33.93 1s6h s VAL 200 CO -0.05 0.50 -0.09 0.00 0.00 0.00 0.00 175.10 175.47 1s6h n ASN 202 N 4.83 -0.34 0.00 0.00 3.02 -1.26 -1.58 115.26 119.93 1s6h n ASN 202 Ca -0.14 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 1s6h n ASN 202 Cb 0.50 -2.73 0.00 0.00 -0.61 0.00 0.00 39.78 36.94 1s6h n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s6h n GLY 203 N -2.10 0.45 3.11 7.41 0.00 -1.26 -5.00 105.19 107.80 1s6h n GLY 203 Ca -0.30 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 1s6h n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s6h s GLN 204 N -0.30 1.10 -0.71 1.61 -0.21 -0.62 -3.95 119.66 116.59 1s6h s GLN 204 Ca 0.00 -0.53 -0.26 0.00 0.02 0.00 0.00 55.36 54.59 1s6h s GLN 204 Cb 0.00 -1.07 0.00 0.00 1.00 0.00 0.00 33.01 32.94 1s6h s GLN 204 CO 0.00 0.29 1.58 -1.17 -2.12 0.00 0.00 175.29 173.87 1s6h s LEU 209 N -0.42 3.23 -0.02 2.90 2.96 -0.10 -0.97 118.68 126.26 1s6h s LEU 209 Ca 0.05 -0.16 0.19 0.00 -0.22 0.00 0.00 54.13 53.99 1s6h s LEU 209 Cb -0.06 -2.55 -0.21 0.00 0.50 0.00 0.00 46.19 43.87 1s6h s LEU 209 CO -0.00 -2.11 0.54 0.00 -1.32 0.00 0.00 176.35 173.47 1s6h n GLN 210 N 9.25 0.65 -4.05 1.98 1.13 -0.31 -4.09 117.38 121.93 1s6h n GLN 210 Ca 0.14 0.03 -0.10 0.00 -1.94 0.00 0.00 57.00 55.13 1s6h n GLN 210 Cb 0.50 -1.65 -0.11 0.00 0.11 0.00 0.00 30.24 29.10 1s6h n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1s6h s GLY 211 N -4.85 0.43 -0.10 1.08 0.00 -0.91 -1.79 107.32 101.18 1s6h s GLY 211 Ca -0.06 -0.86 0.03 0.00 0.00 0.00 0.00 44.72 43.83 1s6h s GLY 211 CO 0.84 -0.93 -0.19 -0.42 0.00 0.00 0.00 173.10 172.40 1s6h s ILE 212 N -2.18 1.75 -0.09 0.90 1.01 -0.99 -1.53 121.20 120.07 1s6h s ILE 212 Ca -0.06 -0.82 -0.35 0.00 0.00 0.00 0.00 60.65 59.42 1s6h s ILE 212 Cb -0.05 -1.55 -0.12 0.00 0.01 0.00 0.00 42.46 40.75 1s6h s ILE 212 CO -0.03 0.49 1.84 0.52 0.00 0.00 0.00 174.94 177.77 1s6h n VAL 213 N 3.87 0.51 0.04 2.92 0.31 -0.30 -1.25 118.33 124.42 1s6h n VAL 213 Ca -0.20 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1s6h n VAL 213 Cb 0.52 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 1s6h n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1s6h n SER 214 N 6.27 0.41 -2.92 4.52 2.88 -1.08 -0.76 113.62 122.94 1s6h n SER 214 Ca 0.23 0.11 -0.11 0.00 -1.33 0.00 0.00 58.87 57.76 1s6h n SER 214 Cb 0.28 -0.08 0.01 0.00 -0.75 0.00 0.00 64.21 63.66 1s6h n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1s6h s TRP 215 N -1.50 0.48 -0.09 0.66 1.48 -0.67 -4.95 118.94 114.35 1s6h s TRP 215 Ca 0.00 -1.02 0.00 0.00 -1.06 0.00 0.00 56.10 54.02 1s6h s TRP 215 Cb 0.00 0.54 0.00 0.00 -1.16 0.00 0.00 33.47 32.85 1s6h s TRP 215 CO 0.00 -1.47 0.00 0.41 -4.06 0.00 0.00 176.95 171.83 1s6h n GLY 216 N -0.56 -0.83 3.13 3.67 0.00 -1.26 -0.88 105.19 108.47 1s6h n GLY 216 Ca -0.06 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 1s6h n GLY 216 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1s6h s TYR 217 N -3.00 3.52 0.00 1.61 5.04 -1.26 -5.02 117.35 118.24 1s6h s TYR 217 Ca 0.00 -2.28 0.00 0.00 -2.44 0.00 0.00 57.07 52.35 1s6h s TYR 217 Cb 0.00 -2.97 0.00 0.00 0.35 0.00 0.00 41.96 39.34 1s6h s TYR 217 CO 0.00 -0.93 0.00 0.41 -1.34 0.00 0.00 175.55 173.69 1s6h n GLY 219 N 4.60 0.77 3.22 8.97 0.00 -1.26 -4.66 105.19 116.83 1s6h n GLY 219 Ca -0.05 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 1s6h n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6h n ALA 221 N -0.08 -0.38 -1.98 0.00 0.00 -1.26 -4.91 120.51 111.89 1s6h n ALA 221 Ca -0.11 0.18 -0.32 0.00 0.00 0.00 0.00 53.44 53.18 1s6h n ALA 221 Cb 0.63 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 1s6h n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1s6h s GLN 221 N -3.73 4.03 0.33 0.00 -0.21 -1.26 -0.77 119.66 118.05 1s6h s GLN 221 Ca 0.00 0.85 -0.29 0.00 0.02 0.00 0.00 55.36 55.94 1s6h s GLN 221 Cb 0.00 -2.28 -0.12 0.00 1.00 0.00 0.00 33.01 31.61 1s6h s GLN 221 CO 0.00 -0.02 1.41 1.63 -2.12 0.00 0.00 175.29 176.18 1s6h n LYS 222 N -0.85 2.36 -2.12 2.91 5.02 -1.26 -2.79 118.16 121.43 1s6h n LYS 222 Ca 0.05 0.83 -0.16 0.00 -2.02 0.00 0.00 58.31 57.01 1s6h n LYS 222 Cb 0.54 -2.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.02 1s6h n LYS 222 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1s6h n ASN 223 N 1.03 -4.71 -3.21 4.39 3.02 0.55 -4.90 115.26 111.43 1s6h n ASN 223 Ca 0.05 0.19 -0.24 0.00 -0.03 0.00 0.00 54.58 54.56 1s6h n ASN 223 Cb 0.36 -4.05 -0.06 0.00 -0.61 0.00 0.00 39.78 35.43 1s6h n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1s6h n LYS 224 N -2.64 1.46 -1.09 3.52 4.76 -1.12 -4.71 118.16 118.34 1s6h n LYS 224 Ca -0.19 -3.76 -0.31 0.00 -2.87 0.00 0.00 58.31 51.18 1s6h n LYS 224 Cb 0.61 -1.68 0.12 0.00 -1.84 0.00 0.00 35.03 32.24 1s6h n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1s6h s PRO 225 N -2.04 1.84 0.38 1.97 0.04 -1.26 -4.47 135.00 131.45 1s6h s PRO 225 Ca 0.39 1.27 -0.28 0.00 0.04 0.00 0.00 61.00 62.42 1s6h s PRO 225 Cb 0.22 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.82 1s6h s PRO 225 CO -0.09 -1.97 1.41 0.20 0.04 0.00 0.00 177.00 176.59 1s6h s GLY 226 N -3.18 2.96 -0.11 0.56 0.00 -1.23 -4.76 107.32 101.56 1s6h s GLY 226 Ca 0.63 1.43 0.00 0.00 0.00 0.00 0.00 44.72 46.78 1s6h s GLY 226 CO 0.57 2.09 -0.10 0.14 0.00 0.00 0.00 173.10 175.79 1s6h s VAL 227 N -1.15 3.34 0.00 1.40 1.01 -0.06 -1.94 120.40 123.00 1s6h s VAL 227 Ca 0.53 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.96 1s6h s VAL 227 Cb -0.43 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 1s6h s VAL 227 CO 0.58 0.55 -0.12 -0.31 0.00 0.00 0.00 175.10 175.80 1s6h s TYR 228 N -0.09 1.03 0.27 5.22 1.51 0.17 -1.67 117.35 123.79 1s6h s TYR 228 Ca -0.01 -0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 55.52 1s6h s TYR 228 Cb -0.14 -0.65 -0.10 0.00 -0.11 0.00 0.00 41.96 40.96 1s6h s TYR 228 CO 0.03 -0.01 1.44 0.99 -1.11 0.00 0.00 175.55 176.89 1s6h s THR 229 N -0.44 2.58 -1.04 -0.71 2.01 -0.38 -1.15 115.64 116.51 1s6h s THR 229 Ca 0.03 0.50 -0.19 0.00 0.31 0.00 0.00 61.69 62.35 1s6h s THR 229 Cb -0.05 -3.32 0.11 0.00 0.01 0.00 0.00 72.50 69.25 1s6h s THR 229 CO -0.00 0.09 1.33 -0.75 -0.69 0.00 0.00 174.62 174.60 1s6h s LYS 230 N -0.70 3.73 0.47 4.92 2.20 -0.17 -2.35 119.74 127.85 1s6h s LYS 230 Ca 0.58 -1.77 0.18 0.00 -0.36 0.00 0.00 55.97 54.59 1s6h s LYS 230 Cb -0.42 -5.13 1.18 0.00 -1.51 0.00 0.00 37.83 31.95 1s6h s LYS 230 CO 0.46 -1.94 2.00 0.28 -0.36 0.00 0.00 175.35 175.80 1s6h h VAL 231 N 5.84 0.85 0.00 4.02 2.07 -1.63 -1.92 116.25 125.48 1s6h h VAL 231 Ca 0.23 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.67 1s6h h VAL 231 Cb 0.98 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1s6h h VAL 231 CO 1.25 0.04 0.00 0.00 0.02 0.00 0.00 177.57 178.89 1s6h n ASN 233 N -1.52 1.40 -0.18 0.00 3.02 -0.72 -4.40 115.26 112.85 1s6h n ASN 233 Ca 0.02 -1.18 0.02 0.00 -0.03 0.00 0.00 54.58 53.41 1s6h n ASN 233 Cb 0.11 0.15 0.04 0.00 -0.61 0.00 0.00 39.78 39.47 1s6h n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1s6h n TYR 234 N -0.26 0.09 -0.20 3.10 4.01 -0.25 -4.72 117.16 118.92 1s6h n TYR 234 Ca 0.13 -0.31 -0.04 0.00 -0.16 0.00 0.00 57.90 57.53 1s6h n TYR 234 Cb 0.38 -0.03 0.14 0.00 -0.31 0.00 0.00 39.34 39.52 1s6h n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1s6h h VAL 235 N 0.66 1.24 -0.56 -0.72 2.07 -1.77 -0.14 116.25 117.03 1s6h h VAL 235 Ca 0.00 -0.81 -0.09 0.00 0.82 0.00 0.00 66.70 66.63 1s6h h VAL 235 Cb 0.41 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1s6h h VAL 235 CO 0.00 0.32 0.01 0.78 0.02 0.00 0.00 177.57 178.70 1s6h h ASN 236 N 0.97 0.96 -0.63 0.57 2.35 -1.93 -0.58 115.58 117.29 1s6h h ASN 236 Ca 0.22 -0.30 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 1s6h h ASN 236 Cb 0.25 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 1s6h h ASN 236 CO -0.01 1.03 0.20 -0.25 -1.65 0.00 0.00 177.43 176.75 1s6h h TRP 237 N 0.87 1.01 -0.11 1.19 7.01 -1.75 0.06 115.95 124.23 1s6h h TRP 237 Ca 0.16 -0.10 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 1s6h h TRP 237 Cb 0.53 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 27.29 1s6h h TRP 237 CO 0.04 0.82 0.05 0.82 -2.79 0.00 0.00 178.44 177.38 1s6h h ILE 238 N 0.91 1.12 -0.38 2.65 2.04 -0.87 -1.43 117.51 121.56 1s6h h ILE 238 Ca 0.20 -0.37 -0.13 0.00 1.00 0.00 0.00 64.86 65.57 1s6h h ILE 238 Cb 0.28 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1s6h h ILE 238 CO -0.01 0.11 -0.28 -0.61 0.00 0.00 0.00 178.15 177.36 1s6h h GLN 239 N 0.04 0.81 -0.45 2.37 -0.00 -0.87 -1.32 115.11 115.70 1s6h h GLN 239 Ca 0.04 -0.36 -0.10 0.00 -0.00 0.00 0.00 58.65 58.23 1s6h h GLN 239 Cb 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.57 1s6h h GLN 239 CO -0.00 0.99 -0.11 1.96 0.00 0.00 0.00 178.83 181.67 1s6h h GLN 240 N 0.70 0.81 -0.21 1.69 4.20 -0.97 -0.92 115.11 120.39 1s6h h GLN 240 Ca 0.08 -0.27 -0.15 0.00 0.06 0.00 0.00 58.65 58.37 1s6h h GLN 240 Cb 0.82 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.53 1s6h h GLN 240 CO 0.07 0.88 -0.45 1.15 -0.67 0.00 0.00 178.83 179.81 1s6h h THR 241 N 0.73 1.31 -0.31 -0.54 2.02 -1.00 -1.71 112.91 113.42 1s6h h THR 241 Ca 0.12 -1.67 0.03 0.00 0.77 0.00 0.00 66.41 65.66 1s6h h THR 241 Cb 0.60 1.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.81 1s6h h THR 241 CO 0.04 0.52 0.13 0.40 0.37 0.00 0.00 175.52 176.98 1s6h h ILE 242 N 0.38 0.95 -0.04 3.11 2.04 -1.15 -1.70 117.51 121.11 1s6h h ILE 242 Ca 0.00 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 1s6h h ILE 242 Cb 1.06 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1s6h h ILE 242 CO 0.10 0.05 -0.27 0.00 0.00 0.00 0.00 178.15 178.03 1s6h h ALA 243 N 1.18 1.48 0.00 1.87 0.00 -0.92 -3.15 119.26 119.72 1s6h h ALA 243 Ca 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1s6h h ALA 243 Cb 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1s6h h ALA 243 CO -0.12 0.38 -0.59 0.00 0.00 0.00 0.00 179.25 178.93 1s6h h ALA 244 N 1.67 0.65 0.00 0.00 0.00 -1.06 -3.51 119.26 117.00 1s6h h ALA 244 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1s6h h ALA 244 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1s6h h ALA 244 CO 0.04 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.38