#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s83 s VAL 17 N 0.00 5.44 -0.54 1.39 1.01 -0.10 -4.11 120.40 123.50 1s83 s VAL 17 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1s83 s VAL 17 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1s83 s VAL 17 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1s83 n GLY 18 N 2.56 0.73 0.00 4.51 0.00 -1.21 -1.47 105.19 110.31 1s83 n GLY 18 Ca -0.18 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1s83 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s83 n GLY 19 N -2.26 1.52 3.12 -0.02 0.00 -1.26 -4.85 105.19 101.44 1s83 n GLY 19 Ca -0.05 -1.99 -0.07 0.00 0.00 0.00 0.00 46.02 43.90 1s83 n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1s83 s TYR 20 N 1.57 0.43 -0.07 1.61 1.13 -0.43 -4.96 117.35 116.63 1s83 s TYR 20 Ca 0.00 -0.95 -0.30 0.00 -1.41 0.00 0.00 57.07 54.42 1s83 s TYR 20 Cb 0.00 -0.31 -0.03 0.00 -1.10 0.00 0.00 41.96 40.52 1s83 s TYR 20 CO 0.00 -0.42 1.29 0.99 -2.51 0.00 0.00 175.55 174.90 1s83 s THR 21 N -3.87 4.10 0.70 -3.49 2.01 -1.26 -0.71 115.64 113.12 1s83 s THR 21 Ca 0.06 1.41 -0.16 0.00 0.31 0.00 0.00 61.69 63.31 1s83 s THR 21 Cb 0.07 -3.91 0.02 0.00 0.01 0.00 0.00 72.50 68.69 1s83 s THR 21 CO -0.10 -0.04 1.26 0.00 -0.69 0.00 0.00 174.62 175.05 1s83 s ALA 23 N -1.65 3.49 0.15 0.00 0.00 -1.26 -4.86 121.76 117.62 1s83 s ALA 23 Ca 0.79 1.50 -0.34 0.00 0.00 0.00 0.00 51.96 53.92 1s83 s ALA 23 Cb -0.34 -3.59 -0.13 0.00 0.00 0.00 0.00 23.12 19.06 1s83 s ALA 23 CO 0.43 -1.02 1.63 0.00 0.00 0.00 0.00 175.76 176.80 1s83 n ALA 24 N 0.36 1.54 -1.47 0.00 0.00 -1.26 -1.75 120.51 117.94 1s83 n ALA 24 Ca 0.02 0.42 -0.16 0.00 0.00 0.00 0.00 53.44 53.72 1s83 n ALA 24 Cb 0.40 -2.39 -0.07 0.00 0.00 0.00 0.00 19.45 17.39 1s83 n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s83 n ASN 25 N 3.82 -5.38 0.00 0.00 4.13 -1.26 -4.86 115.26 111.71 1s83 n ASN 25 Ca 0.17 0.40 0.13 0.00 1.68 0.00 0.00 54.58 56.96 1s83 n ASN 25 Cb 0.30 -4.30 0.59 0.00 -1.54 0.00 0.00 39.78 34.83 1s83 n ASN 25 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1s83 n SER 26 N -1.07 0.00 -3.35 6.41 3.41 -0.71 -3.84 113.62 114.47 1s83 n SER 26 Ca -0.16 0.46 -0.28 0.00 -0.26 0.00 0.00 58.87 58.63 1s83 n SER 26 Cb 0.60 -0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 64.00 1s83 n SER 26 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1s83 n ILE 27 N -1.49 2.80 0.54 -1.33 2.08 -1.26 -4.97 119.36 115.73 1s83 n ILE 27 Ca 0.07 -5.37 0.08 0.00 0.56 0.00 0.00 62.75 58.09 1s83 n ILE 27 Cb 0.32 -1.93 0.36 0.00 -0.75 0.00 0.00 39.64 37.64 1s83 n ILE 27 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1s83 n PRO 28 N 0.60 0.02 0.00 0.38 -0.04 -1.25 -1.39 135.00 133.32 1s83 n PRO 28 Ca 0.30 0.24 0.12 0.00 -0.04 0.00 0.00 63.50 64.13 1s83 n PRO 28 Cb 0.40 -1.54 0.28 0.00 -0.04 0.00 0.00 33.50 32.60 1s83 n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1s83 n TYR 29 N -1.58 0.00 -2.51 0.54 0.18 -1.16 -1.95 117.16 110.68 1s83 n TYR 29 Ca 0.04 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.40 1s83 n TYR 29 Cb 0.19 -0.24 -0.03 0.00 -0.38 0.00 0.00 39.34 38.89 1s83 n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1s83 s GLN 30 N -2.92 4.49 0.27 -3.48 2.00 -0.48 -1.04 119.66 118.50 1s83 s GLN 30 Ca 0.13 1.68 0.11 0.00 -2.00 0.00 0.00 55.36 55.28 1s83 s GLN 30 Cb 0.18 -3.37 -0.05 0.00 0.80 0.00 0.00 33.01 30.58 1s83 s GLN 30 CO 0.67 -0.16 -0.14 0.14 -0.50 0.00 0.00 175.29 175.29 1s83 s VAL 31 N 0.87 2.77 -0.17 1.34 -7.23 -0.49 -4.45 120.40 113.04 1s83 s VAL 31 Ca 0.56 -2.25 -0.06 0.00 -1.81 0.00 0.00 61.98 58.42 1s83 s VAL 31 Cb -0.27 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.17 1s83 s VAL 31 CO 0.30 -0.39 0.02 -0.55 -0.31 0.00 0.00 175.10 174.17 1s83 s SER 32 N -3.54 5.24 -0.21 4.85 0.15 -0.51 -2.50 113.70 117.19 1s83 s SER 32 Ca 0.30 -0.02 -0.14 0.00 0.70 0.00 0.00 55.95 56.80 1s83 s SER 32 Cb -0.05 -1.88 -0.04 0.00 -1.71 0.00 0.00 66.02 62.33 1s83 s SER 32 CO 0.16 0.17 0.32 -0.76 1.20 0.00 0.00 173.24 174.34 1s83 s LEU 33 N 0.36 4.16 -0.07 3.45 1.43 0.06 -0.71 118.68 127.36 1s83 s LEU 33 Ca -0.00 0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.54 1s83 s LEU 33 Cb -0.13 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.71 1s83 s LEU 33 CO 0.01 -0.01 -0.19 0.21 0.23 0.00 0.00 176.35 176.60 1s83 s ASN 34 N 0.96 2.47 -0.23 2.29 3.84 0.06 -1.11 114.94 123.21 1s83 s ASN 34 Ca 0.16 -0.43 0.14 0.00 0.21 0.00 0.00 52.86 52.94 1s83 s ASN 34 Cb -0.14 -0.98 0.46 0.00 -0.55 0.00 0.00 41.25 40.04 1s83 s ASN 34 CO 0.06 0.13 1.17 -1.54 -2.79 0.00 0.00 177.10 174.13 1s83 n SER 37 N 3.46 2.95 0.00 -4.21 3.41 -1.26 -1.11 113.62 116.85 1s83 n SER 37 Ca -0.20 -3.11 0.00 0.00 -0.26 0.00 0.00 58.87 55.30 1s83 n SER 37 Cb 0.52 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1s83 n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s83 n GLY 38 N -0.61 1.84 3.27 5.00 0.00 -1.26 -5.04 105.19 108.38 1s83 n GLY 38 Ca 0.25 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1s83 n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s83 s SER 39 N -0.12 0.11 0.27 1.61 1.04 -1.26 -5.13 113.70 110.21 1s83 s SER 39 Ca 0.00 -0.85 -0.31 0.00 0.48 0.00 0.00 55.95 55.28 1s83 s SER 39 Cb 0.00 0.38 -0.12 0.00 0.10 0.00 0.00 66.02 66.38 1s83 s SER 39 CO 0.00 -0.82 1.53 1.57 0.98 0.00 0.00 173.24 176.50 1s83 n HIS 40 N -0.14 2.57 0.00 5.02 -0.00 -1.26 -4.30 115.22 117.11 1s83 n HIS 40 Ca -0.10 0.31 0.00 0.00 0.46 0.00 0.00 57.72 58.40 1s83 n HIS 40 Cb 0.63 -2.55 0.00 0.00 -0.12 0.00 0.00 29.99 27.95 1s83 n HIS 40 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 1s83 n PHE 41 N 2.15 0.00 -3.59 1.57 -1.74 -0.27 -4.93 117.46 110.66 1s83 n PHE 41 Ca 0.10 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.89 1s83 n PHE 41 Cb 0.34 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.32 1s83 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1s83 s GLY 43 N -2.81 1.76 0.18 0.00 0.00 0.34 -0.76 107.32 106.03 1s83 s GLY 43 Ca 0.05 -1.87 -0.23 0.00 0.00 0.00 0.00 44.72 42.67 1s83 s GLY 43 CO -0.05 -1.38 1.02 -0.32 0.00 0.00 0.00 173.10 172.37 1s83 s GLY 44 N -4.67 0.01 -0.07 0.20 0.00 -1.04 -3.61 107.32 98.14 1s83 s GLY 44 Ca 0.63 -0.19 0.02 0.00 0.00 0.00 0.00 44.72 45.19 1s83 s GLY 44 CO 0.41 1.60 -0.10 -0.56 0.00 0.00 0.00 173.10 174.45 1s83 s SER 45 N -3.25 1.70 -0.22 1.64 0.01 -0.38 -1.40 113.70 111.79 1s83 s SER 45 Ca 0.19 -0.27 -0.29 0.00 1.31 0.00 0.00 55.95 56.88 1s83 s SER 45 Cb -0.02 -0.77 0.00 0.00 0.21 0.00 0.00 66.02 65.44 1s83 s SER 45 CO 0.04 0.00 1.16 -0.22 0.41 0.00 0.00 173.24 174.64 1s83 s LEU 46 N 0.83 4.09 0.00 2.44 2.96 -0.21 -1.05 118.68 127.75 1s83 s LEU 46 Ca -0.12 1.45 0.02 0.00 -0.22 0.00 0.00 54.13 55.26 1s83 s LEU 46 Cb -0.15 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1s83 s LEU 46 CO 0.02 -0.78 0.36 2.30 -1.32 0.00 0.00 176.35 176.93 1s83 n ILE 47 N 5.51 0.00 -3.53 6.68 -5.35 -0.60 -1.36 119.36 120.70 1s83 n ILE 47 Ca 0.13 -0.49 -0.12 0.00 -0.27 0.00 0.00 62.75 62.01 1s83 n ILE 47 Cb 0.46 1.02 -0.04 0.00 -1.74 0.00 0.00 39.64 39.34 1s83 n ILE 47 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1s83 s ASN 48 N -0.54 -0.41 0.55 7.28 3.84 -1.10 -4.77 114.94 119.78 1s83 s ASN 48 Ca 0.01 -0.10 0.26 0.00 0.21 0.00 0.00 52.86 53.24 1s83 s ASN 48 Cb 0.01 0.53 1.45 0.00 -0.55 0.00 0.00 41.25 42.69 1s83 s ASN 48 CO 0.04 -0.88 1.99 0.77 -2.79 0.00 0.00 177.10 176.23 1s83 h SER 49 N 2.27 0.00 -0.02 -4.21 4.64 -1.96 -2.40 113.55 111.88 1s83 h SER 49 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1s83 h SER 49 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1s83 h SER 49 CO 0.42 0.00 -0.06 0.00 -0.87 0.00 0.00 176.83 176.32 1s83 n GLN 50 N -4.20 1.18 -4.13 4.77 6.02 -1.26 -0.42 117.38 119.34 1s83 n GLN 50 Ca 0.08 -1.23 -0.17 0.00 -0.01 0.00 0.00 57.00 55.68 1s83 n GLN 50 Cb 0.58 -1.26 -0.15 0.00 1.02 0.00 0.00 30.24 30.43 1s83 n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1s83 s TRP 51 N -1.31 0.51 -0.05 1.08 0.52 -0.90 -0.51 118.94 118.28 1s83 s TRP 51 Ca 0.16 -0.10 0.03 0.00 0.02 0.00 0.00 56.10 56.21 1s83 s TRP 51 Cb 0.12 -0.40 -0.03 0.00 -1.15 0.00 0.00 33.47 32.01 1s83 s TRP 51 CO 0.21 -0.06 -0.13 0.08 0.02 0.00 0.00 176.95 177.07 1s83 s VAL 52 N 0.27 3.19 -0.09 4.03 1.01 -0.29 -1.56 120.40 126.95 1s83 s VAL 52 Ca -0.03 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 1s83 s VAL 52 Cb -0.07 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1s83 s VAL 52 CO -0.00 0.59 -0.03 0.54 0.00 0.00 0.00 175.10 176.20 1s83 s VAL 53 N -0.73 4.03 0.00 2.92 0.11 -0.21 -0.67 120.40 125.85 1s83 s VAL 53 Ca 0.11 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.82 1s83 s VAL 53 Cb -0.11 -2.69 0.00 0.00 -1.53 0.00 0.00 36.38 32.05 1s83 s VAL 53 CO 0.01 0.59 0.00 -0.24 -3.33 0.00 0.00 175.10 172.13 1s83 n SER 54 N 2.34 0.00 -4.85 3.54 2.88 0.01 -1.25 113.62 116.29 1s83 n SER 54 Ca -0.18 -0.55 -0.37 0.00 -1.33 0.00 0.00 58.87 56.43 1s83 n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1s83 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s83 s ALA 55 N -1.66 3.80 0.48 -1.46 0.00 -1.26 -1.32 121.76 120.34 1s83 s ALA 55 Ca 0.00 -0.49 0.24 0.00 0.00 0.00 0.00 51.96 51.71 1s83 s ALA 55 Cb 0.00 -2.14 1.44 0.00 0.00 0.00 0.00 23.12 22.42 1s83 s ALA 55 CO 0.00 0.53 2.11 0.00 0.00 0.00 0.00 175.76 178.41 1s83 h ALA 56 N 5.02 1.51 0.00 0.00 0.00 -1.68 -1.99 119.26 122.12 1s83 h ALA 56 Ca -0.53 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1s83 h ALA 56 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1s83 h ALA 56 CO 0.61 0.11 0.00 -2.39 0.00 0.00 0.00 179.25 177.58 1s83 n HIS 57 N -3.93 0.12 1.32 0.00 1.44 -1.26 -1.42 115.22 111.49 1s83 n HIS 57 Ca -0.02 0.04 0.14 0.00 -2.01 0.00 0.00 57.72 55.87 1s83 n HIS 57 Cb 0.18 -0.57 0.67 0.00 0.12 0.00 0.00 29.99 30.39 1s83 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1s83 n TYR 59 N -1.24 1.18 -4.04 0.00 9.36 -0.51 -5.01 117.16 116.90 1s83 n TYR 59 Ca 0.13 0.71 -0.10 0.00 3.32 0.00 0.00 57.90 61.96 1s83 n TYR 59 Cb 0.27 -2.25 -0.11 0.00 -0.63 0.00 0.00 39.34 36.62 1s83 n TYR 59 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1s83 s LYS 60 N -0.43 0.46 0.45 2.98 -0.14 -1.26 -5.07 119.74 116.73 1s83 s LYS 60 Ca 0.73 -0.80 0.27 0.00 -1.36 0.00 0.00 55.97 54.81 1s83 s LYS 60 Cb -0.87 -0.02 0.82 0.00 -1.68 0.00 0.00 37.83 36.07 1s83 s LYS 60 CO 0.53 -0.03 1.78 0.66 -0.76 0.00 0.00 175.35 177.53 1s83 h SER 61 N 4.25 0.00 -3.55 2.83 4.64 -2.01 -3.42 113.55 116.29 1s83 h SER 61 Ca -0.34 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.52 1s83 h SER 61 Cb 1.19 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.96 1s83 h SER 61 CO 0.46 0.00 -0.80 -0.13 -0.87 0.00 0.00 176.83 175.50 1s83 s ARG 62 N -3.39 1.27 -0.08 4.77 0.52 -1.26 -5.01 118.95 115.77 1s83 s ARG 62 Ca 0.05 -0.31 -0.06 0.00 -0.52 0.00 0.00 55.73 54.90 1s83 s ARG 62 Cb 0.07 -1.12 0.03 0.00 0.52 0.00 0.00 34.95 34.45 1s83 s ARG 62 CO 0.60 0.03 0.19 0.42 0.02 0.00 0.00 175.30 176.56 1s83 s ILE 63 N 0.59 -0.02 -0.19 1.52 1.01 -1.26 -4.82 121.20 118.03 1s83 s ILE 63 Ca -0.11 0.07 -0.06 0.00 0.00 0.00 0.00 60.65 60.55 1s83 s ILE 63 Cb -0.14 -0.29 -0.03 0.00 0.01 0.00 0.00 42.46 42.01 1s83 s ILE 63 CO 0.02 0.03 0.03 -1.58 0.00 0.00 0.00 174.94 173.44 1s83 s GLN 64 N 0.57 3.81 -0.14 2.79 0.74 -0.27 -0.96 119.66 126.20 1s83 s GLN 64 Ca -0.04 -0.43 -0.19 0.00 0.05 0.00 0.00 55.36 54.75 1s83 s GLN 64 Cb -0.05 -3.15 -0.04 0.00 1.10 0.00 0.00 33.01 30.87 1s83 s GLN 64 CO -0.03 0.15 0.52 0.08 -0.55 0.00 0.00 175.29 175.47 1s83 s VAL 65 N 0.66 5.14 -0.30 1.34 1.01 0.06 -0.76 120.40 127.56 1s83 s VAL 65 Ca 0.02 1.02 -0.01 0.00 0.00 0.00 0.00 61.98 63.01 1s83 s VAL 65 Cb -0.14 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.44 1s83 s VAL 65 CO 0.02 0.26 -0.00 -0.13 0.00 0.00 0.00 175.10 175.25 1s83 s ARG 66 N 1.00 2.41 0.27 2.72 0.52 0.11 -0.89 118.95 125.09 1s83 s ARG 66 Ca 0.27 -1.28 0.06 0.00 -0.52 0.00 0.00 55.73 54.25 1s83 s ARG 66 Cb -0.15 -3.17 -0.02 0.00 0.52 0.00 0.00 34.95 32.12 1s83 s ARG 66 CO 0.11 -0.62 0.38 -0.51 0.02 0.00 0.00 175.30 174.68 1s83 s LEU 67 N 1.24 4.20 -1.62 2.53 1.02 -0.06 -1.42 118.68 124.57 1s83 s LEU 67 Ca -0.05 -0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.08 1s83 s LEU 67 Cb -0.20 -2.81 0.00 0.00 0.02 0.00 0.00 46.19 43.20 1s83 s LEU 67 CO -0.01 -0.17 0.00 0.61 0.02 0.00 0.00 176.35 176.80 1s83 n GLY 69 N -1.46 1.41 3.80 -3.19 0.00 -1.26 -1.15 105.19 103.34 1s83 n GLY 69 Ca -0.07 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 1s83 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s83 s GLU 70 N -3.45 4.38 0.04 1.61 0.41 -1.26 -3.69 118.70 116.74 1s83 s GLU 70 Ca 0.00 1.07 -0.00 0.00 -0.41 0.00 0.00 54.97 55.63 1s83 s GLU 70 Cb 0.00 -2.78 -0.00 0.00 -1.78 0.00 0.00 34.13 29.57 1s83 s GLU 70 CO 0.00 0.31 -0.00 1.58 -0.49 0.00 0.00 175.26 176.65 1s83 n HIS 71 N 0.51 0.00 -2.82 1.61 -0.00 -1.26 -4.62 115.22 108.64 1s83 n HIS 71 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.30 1s83 n HIS 71 Cb 0.51 -0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.46 1s83 n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1s83 s ASN 72 N -5.43 6.42 0.00 0.26 3.84 -1.26 -2.54 114.94 116.24 1s83 s ASN 72 Ca -0.00 -0.10 0.24 0.00 0.21 0.00 0.00 52.86 53.21 1s83 s ASN 72 Cb 0.00 -2.45 1.22 0.00 -0.55 0.00 0.00 41.25 39.47 1s83 s ASN 72 CO 0.00 -1.15 1.80 2.30 -2.79 0.00 0.00 177.10 177.27 1s83 n ILE 73 N 6.33 0.23 0.90 -5.21 -5.35 -0.45 -2.55 119.36 113.26 1s83 n ILE 73 Ca 0.04 0.06 0.10 0.00 -0.27 0.00 0.00 62.75 62.68 1s83 n ILE 73 Cb 0.48 -0.66 -0.00 0.00 -1.74 0.00 0.00 39.64 37.72 1s83 n ILE 73 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1s83 n ASP 74 N -1.30 1.91 -3.91 7.28 8.00 -1.26 -4.93 116.55 122.33 1s83 n ASP 74 Ca 0.11 -1.45 -0.18 0.00 0.71 0.00 0.00 54.79 53.98 1s83 n ASP 74 Cb 0.20 0.47 -0.16 0.00 -0.02 0.00 0.00 41.12 41.62 1s83 n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s83 s VAL 75 N -2.28 0.47 -0.69 2.53 1.01 -1.06 -5.10 120.40 115.28 1s83 s VAL 75 Ca 0.17 -0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.73 1s83 s VAL 75 Cb 0.16 -0.47 0.03 0.00 0.00 0.00 0.00 36.38 36.11 1s83 s VAL 75 CO 0.52 0.18 1.27 -0.22 0.00 0.00 0.00 175.10 176.84 1s83 s LEU 76 N 0.54 3.25 0.00 3.92 2.96 -1.26 -4.65 118.68 123.43 1s83 s LEU 76 Ca -0.07 -0.26 0.22 0.00 -0.22 0.00 0.00 54.13 53.80 1s83 s LEU 76 Cb -0.10 -2.74 -0.01 0.00 0.50 0.00 0.00 46.19 43.84 1s83 s LEU 76 CO -0.00 -1.74 1.06 -0.62 -1.32 0.00 0.00 176.35 173.72 1s83 n GLU 77 N 9.10 0.10 0.00 1.98 1.02 -1.26 -5.01 120.64 126.57 1s83 n GLU 77 Ca 0.05 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1s83 n GLU 77 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1s83 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s83 n GLY 78 N 1.49 2.81 0.23 0.62 0.00 -1.26 -4.95 105.19 104.13 1s83 n GLY 78 Ca 0.05 -1.03 0.14 0.00 0.00 0.00 0.00 46.02 45.18 1s83 n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s83 n ASN 79 N 0.00 0.86 -4.77 1.61 3.02 -1.26 -4.93 115.26 109.79 1s83 n ASN 79 Ca 0.00 -0.90 -0.36 0.00 -0.03 0.00 0.00 54.58 53.29 1s83 n ASN 79 Cb 0.00 0.02 0.01 0.00 -0.61 0.00 0.00 39.78 39.20 1s83 n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1s83 s GLU 80 N -2.36 3.31 -0.12 3.52 8.01 -1.24 -4.41 118.70 125.41 1s83 s GLU 80 Ca 0.30 1.71 0.00 0.00 0.01 0.00 0.00 54.97 56.99 1s83 s GLU 80 Cb 0.20 -2.05 0.02 0.00 -4.31 0.00 0.00 34.13 27.99 1s83 s GLU 80 CO 0.46 -0.91 -0.11 -0.65 0.01 0.00 0.00 175.26 174.06 1s83 s GLN 81 N -3.20 1.86 -0.25 1.61 -0.21 -0.30 -4.97 119.66 114.20 1s83 s GLN 81 Ca 0.73 -0.39 -0.08 0.00 0.02 0.00 0.00 55.36 55.63 1s83 s GLN 81 Cb -0.27 -1.78 -0.03 0.00 1.00 0.00 0.00 33.01 31.93 1s83 s GLN 81 CO 0.30 -0.22 0.09 -0.06 -2.12 0.00 0.00 175.29 173.28 1s83 s PHE 82 N 1.51 3.11 -0.03 0.91 0.08 -1.26 -0.88 117.98 121.42 1s83 s PHE 82 Ca 0.03 -0.32 -0.00 0.00 0.12 0.00 0.00 56.93 56.76 1s83 s PHE 82 Cb -0.13 -2.25 0.03 0.00 -0.57 0.00 0.00 43.02 40.09 1s83 s PHE 82 CO -0.08 -0.31 0.02 0.42 -0.10 0.00 0.00 175.22 175.17 1s83 s ILE 83 N 1.59 0.10 0.49 0.64 1.01 -0.07 -4.99 121.20 119.96 1s83 s ILE 83 Ca 0.06 0.17 -0.21 0.00 0.00 0.00 0.00 60.65 60.67 1s83 s ILE 83 Cb -0.15 -0.23 -0.07 0.00 0.01 0.00 0.00 42.46 42.02 1s83 s ILE 83 CO 0.05 0.15 1.11 0.20 0.00 0.00 0.00 174.94 176.44 1s83 s ASN 84 N 1.27 6.10 0.09 3.58 0.01 -1.26 -0.76 114.94 123.98 1s83 s ASN 84 Ca -0.06 2.14 -0.31 0.00 -0.71 0.00 0.00 52.86 53.92 1s83 s ASN 84 Cb -0.13 -2.58 -0.07 0.00 0.41 0.00 0.00 41.25 38.87 1s83 s ASN 84 CO -0.02 -0.96 1.35 0.00 -1.51 0.00 0.00 177.10 175.96 1s83 s ALA 85 N -1.74 3.55 -0.11 0.60 0.00 -0.13 -0.95 121.76 122.98 1s83 s ALA 85 Ca 0.67 1.05 0.07 0.00 0.00 0.00 0.00 51.96 53.76 1s83 s ALA 85 Cb -0.23 -3.52 -0.24 0.00 0.00 0.00 0.00 23.12 19.13 1s83 s ALA 85 CO 0.28 -0.60 0.39 0.00 0.00 0.00 0.00 175.76 175.82 1s83 n ALA 86 N 4.07 1.33 -2.89 0.00 0.00 0.11 -4.77 120.51 118.36 1s83 n ALA 86 Ca 0.11 -0.86 -0.12 0.00 0.00 0.00 0.00 53.44 52.58 1s83 n ALA 86 Cb 0.43 -0.61 -0.13 0.00 0.00 0.00 0.00 19.45 19.14 1s83 n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1s83 s LYS 87 N -2.56 0.11 -0.16 0.00 1.02 -1.14 -4.98 119.74 112.03 1s83 s LYS 87 Ca -0.13 -0.17 -0.03 0.00 0.02 0.00 0.00 55.97 55.65 1s83 s LYS 87 Cb 0.07 -0.01 0.05 0.00 -0.52 0.00 0.00 37.83 37.43 1s83 s LYS 87 CO 0.79 -0.00 0.04 0.42 -0.92 0.00 0.00 175.35 175.68 1s83 s ILE 88 N -0.38 0.35 -0.27 2.17 1.01 -1.26 -1.00 121.20 121.82 1s83 s ILE 88 Ca -0.04 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1s83 s ILE 88 Cb -0.03 -0.80 0.07 0.00 0.01 0.00 0.00 42.46 41.72 1s83 s ILE 88 CO -0.00 -0.11 -0.01 -0.63 0.00 0.00 0.00 174.94 174.19 1s83 s ILE 89 N 1.95 1.65 0.44 2.92 1.01 0.02 -5.00 121.20 124.20 1s83 s ILE 89 Ca 0.01 -1.53 -0.18 0.00 0.00 0.00 0.00 60.65 58.95 1s83 s ILE 89 Cb -0.16 -2.01 -0.09 0.00 0.01 0.00 0.00 42.46 40.21 1s83 s ILE 89 CO -0.07 -0.29 0.92 0.42 0.00 0.00 0.00 174.94 175.92 1s83 s THR 90 N 1.29 4.50 0.21 2.92 -4.23 -1.26 -0.81 115.64 118.26 1s83 s THR 90 Ca -0.00 1.27 -0.32 0.00 -1.18 0.00 0.00 61.69 61.45 1s83 s THR 90 Cb -0.19 -3.65 -0.13 0.00 1.34 0.00 0.00 72.50 69.88 1s83 s THR 90 CO -0.09 -0.43 1.60 1.57 -0.54 0.00 0.00 174.62 176.73 1s83 n HIS 91 N -0.95 2.50 0.32 3.99 -0.00 -0.57 -4.85 115.22 115.66 1s83 n HIS 91 Ca 0.06 0.22 0.19 0.00 0.46 0.00 0.00 57.72 58.65 1s83 n HIS 91 Cb 0.54 -2.58 1.05 0.00 -0.12 0.00 0.00 29.99 28.88 1s83 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1s83 h PRO 92 N 5.76 0.00 -0.33 1.57 0.13 -1.93 -1.82 132.00 135.38 1s83 h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1s83 h PRO 92 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1s83 h PRO 92 CO 0.88 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.75 1s83 n ASN 93 N -3.38 3.99 -4.67 1.44 3.02 -1.26 -4.99 115.26 109.41 1s83 n ASN 93 Ca -0.03 -2.80 -0.46 0.00 -0.03 0.00 0.00 54.58 51.26 1s83 n ASN 93 Cb 0.10 -0.51 -0.04 0.00 -0.61 0.00 0.00 39.78 38.72 1s83 n ASN 93 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1s83 n PHE 94 N -0.11 2.22 -4.04 3.10 7.35 -0.69 -4.62 117.46 120.67 1s83 n PHE 94 Ca 0.21 0.32 -0.33 0.00 -0.76 0.00 0.00 57.45 56.89 1s83 n PHE 94 Cb 0.85 -2.52 -0.15 0.00 0.35 0.00 0.00 39.48 38.01 1s83 n PHE 94 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1s83 s ASN 95 N 0.75 3.98 0.00 -2.13 3.84 -0.77 -5.01 114.94 115.60 1s83 s ASN 95 Ca 0.77 -0.96 0.22 0.00 0.21 0.00 0.00 52.86 53.09 1s83 s ASN 95 Cb -0.68 -1.57 1.04 0.00 -0.55 0.00 0.00 41.25 39.49 1s83 s ASN 95 CO 0.41 -0.11 1.71 0.61 -2.79 0.00 0.00 177.10 176.93 1s83 n GLY 96 N 4.58 -1.11 0.06 1.21 0.00 -1.26 -0.37 105.19 108.29 1s83 n GLY 96 Ca -0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 1s83 n GLY 96 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1s83 h ASN 97 N 0.00 0.00 1.18 1.61 -0.73 -1.97 -3.39 115.58 112.27 1s83 h ASN 97 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1s83 h ASN 97 Cb 0.28 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.87 1s83 h ASN 97 CO 0.00 0.61 -0.11 0.35 -0.37 0.00 0.00 177.43 177.92 1s83 n THR 98 N -4.46 0.33 -1.35 -3.57 -2.24 -1.22 -4.92 114.28 96.85 1s83 n THR 98 Ca -0.04 -0.17 -0.12 0.00 -2.27 0.00 0.00 64.05 61.45 1s83 n THR 98 Cb 0.16 -0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 67.90 1s83 n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1s83 n LEU 99 N -1.93 -0.50 -4.77 3.22 4.77 0.50 -5.00 117.00 113.28 1s83 n LEU 99 Ca 0.06 0.30 -0.40 0.00 -0.03 0.00 0.00 56.01 55.93 1s83 n LEU 99 Cb 0.39 -2.60 -0.01 0.00 -2.33 0.00 0.00 43.42 38.88 1s83 n LEU 99 CO 0.30 -1.00 1.02 -0.62 -1.33 0.00 0.00 177.39 175.77 1s83 s ASP 100 N -2.48 6.38 -1.27 -1.43 2.15 -1.23 -3.00 116.67 115.79 1s83 s ASP 100 Ca 0.00 2.80 -0.02 0.00 0.43 0.00 0.00 52.55 55.76 1s83 s ASP 100 Cb 0.00 -2.65 0.01 0.00 -0.30 0.00 0.00 42.92 39.98 1s83 s ASP 100 CO 0.00 -0.82 0.93 0.59 -0.17 0.00 0.00 175.17 175.71 1s83 n ASN 101 N 0.34 -2.51 -4.44 -0.34 3.02 -1.26 -1.85 115.26 108.21 1s83 n ASN 101 Ca 0.02 -0.68 -0.43 0.00 -0.03 0.00 0.00 54.58 53.46 1s83 n ASN 101 Cb 0.42 -4.72 0.00 0.00 -0.61 0.00 0.00 39.78 34.87 1s83 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1s83 n ASP 102 N -3.08 4.91 -3.74 6.41 2.03 -1.16 -4.17 116.55 117.75 1s83 n ASP 102 Ca -0.23 -2.93 -0.13 0.00 0.52 0.00 0.00 54.79 52.01 1s83 n ASP 102 Cb 0.65 -1.69 -0.09 0.00 -0.72 0.00 0.00 41.12 39.27 1s83 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1s83 s ILE 103 N 3.35 0.02 -0.07 5.18 2.07 -1.26 -3.92 121.20 126.57 1s83 s ILE 103 Ca 0.50 -0.20 -0.13 0.00 -1.41 0.00 0.00 60.65 59.41 1s83 s ILE 103 Cb 0.04 -0.59 0.03 0.00 0.13 0.00 0.00 42.46 42.07 1s83 s ILE 103 CO 0.04 -0.11 0.32 -0.32 -1.91 0.00 0.00 174.94 172.96 1s83 s MET 104 N -0.51 0.52 -0.04 3.50 -2.45 -0.44 -1.51 119.30 118.37 1s83 s MET 104 Ca -0.06 0.13 0.04 0.00 -1.25 0.00 0.00 55.69 54.55 1s83 s MET 104 Cb -0.04 0.24 -0.03 0.00 1.25 0.00 0.00 34.83 36.26 1s83 s MET 104 CO 0.03 -0.11 -0.15 -0.51 1.05 0.00 0.00 175.02 175.32 1s83 s LEU 105 N -0.57 2.70 -0.14 4.11 1.43 0.01 -0.81 118.68 125.41 1s83 s LEU 105 Ca -0.07 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1s83 s LEU 105 Cb -0.04 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.66 1s83 s LEU 105 CO 0.02 0.34 -0.15 -0.63 0.23 0.00 0.00 176.35 176.17 1s83 s ILE 106 N -0.74 1.55 -0.10 -0.59 1.01 0.16 -0.80 121.20 121.69 1s83 s ILE 106 Ca 0.12 -0.64 -0.20 0.00 0.00 0.00 0.00 60.65 59.93 1s83 s ILE 106 Cb -0.11 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1s83 s ILE 106 CO 0.01 0.45 0.55 -0.75 0.00 0.00 0.00 174.94 175.20 1s83 s LYS 107 N 1.32 4.37 0.35 2.79 2.20 -0.17 -1.14 119.74 129.46 1s83 s LYS 107 Ca 0.01 0.59 -0.26 0.00 -0.36 0.00 0.00 55.97 55.94 1s83 s LYS 107 Cb -0.13 -3.44 -0.09 0.00 -1.51 0.00 0.00 37.83 32.65 1s83 s LYS 107 CO -0.08 0.12 1.07 -0.51 -0.36 0.00 0.00 175.35 175.59 1s83 s LEU 108 N 0.71 4.31 0.46 5.43 1.43 0.34 0.08 118.68 131.44 1s83 s LEU 108 Ca 0.30 2.14 0.23 0.00 -1.03 0.00 0.00 54.13 55.77 1s83 s LEU 108 Cb -0.16 -3.95 1.13 0.00 0.03 0.00 0.00 46.19 43.24 1s83 s LEU 108 CO 0.13 -0.35 1.94 0.28 0.23 0.00 0.00 176.35 178.57 1s83 h SER 109 N 3.05 0.00 -5.17 2.29 0.02 -1.35 -3.42 113.55 108.98 1s83 h SER 109 Ca -0.48 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.34 1s83 h SER 109 Cb 1.21 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.60 1s83 h SER 109 CO 0.64 0.21 -0.68 -0.94 -1.14 0.00 0.00 176.83 174.92 1s83 s SER 110 N -6.31 0.49 0.37 3.07 1.04 -1.26 -5.01 113.70 106.09 1s83 s SER 110 Ca -0.02 -0.92 -0.27 0.00 0.48 0.00 0.00 55.95 55.22 1s83 s SER 110 Cb 0.12 0.18 -0.10 0.00 0.10 0.00 0.00 66.02 66.33 1s83 s SER 110 CO 0.63 -0.55 1.30 -2.84 0.98 0.00 0.00 173.24 172.76 1s83 s PRO 111 N -3.54 4.18 0.47 4.02 0.02 -1.26 -4.89 135.00 133.99 1s83 s PRO 111 Ca 0.04 2.17 -0.24 0.00 0.02 0.00 0.00 61.00 62.98 1s83 s PRO 111 Cb 0.05 -2.92 -0.07 0.00 0.02 0.00 0.00 34.50 31.58 1s83 s PRO 111 CO -0.08 -0.32 1.40 0.00 -0.33 0.00 0.00 177.00 177.67 1s83 s ALA 112 N -1.21 3.14 -0.31 -1.55 0.00 0.44 -4.98 121.76 117.30 1s83 s ALA 112 Ca 0.53 1.42 -0.19 0.00 0.00 0.00 0.00 51.96 53.72 1s83 s ALA 112 Cb -0.38 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.14 1s83 s ALA 112 CO 0.50 -1.21 0.55 0.99 0.00 0.00 0.00 175.76 176.59 1s83 s THR 113 N -1.23 5.01 0.04 0.00 2.01 -1.26 -4.84 115.64 115.36 1s83 s THR 113 Ca 0.63 0.68 -0.24 0.00 0.31 0.00 0.00 61.69 63.07 1s83 s THR 113 Cb -0.43 -3.93 -0.06 0.00 0.01 0.00 0.00 72.50 68.10 1s83 s THR 113 CO 0.54 -0.10 0.72 -0.76 -0.69 0.00 0.00 174.62 174.33 1s83 s LEU 114 N 2.44 4.45 0.00 4.42 1.43 -1.26 -4.74 118.68 125.42 1s83 s LEU 114 Ca 0.22 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.69 1s83 s LEU 114 Cb -0.15 -3.14 0.00 0.00 0.03 0.00 0.00 46.19 42.92 1s83 s LEU 114 CO 0.12 0.05 0.00 -0.46 0.23 0.00 0.00 176.35 176.28 1s83 n ASN 115 N 2.73 0.00 0.22 2.29 0.23 -0.06 -4.99 115.26 115.68 1s83 n ASN 115 Ca -0.04 -0.68 0.06 0.00 -0.53 0.00 0.00 54.58 53.40 1s83 n ASN 115 Cb 0.50 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.70 1s83 n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1s83 h SER 116 N 0.00 0.00 0.03 0.53 4.64 -1.99 -3.17 113.55 113.58 1s83 h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s83 h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1s83 h SER 116 CO 0.00 0.25 -1.11 0.54 -0.87 0.00 0.00 176.83 175.64 1s83 n ARG 117 N -4.04 0.09 -3.75 4.77 1.74 -1.26 -4.77 116.66 109.43 1s83 n ARG 117 Ca -0.02 -0.03 -0.28 0.00 -0.77 0.00 0.00 57.85 56.75 1s83 n ARG 117 Cb 0.31 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.09 1s83 n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1s83 s VAL 118 N -3.07 0.67 0.02 1.55 1.01 -1.20 -4.26 120.40 115.13 1s83 s VAL 118 Ca 0.06 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 1s83 s VAL 118 Cb 0.16 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.33 1s83 s VAL 118 CO 0.87 -0.28 0.23 0.00 0.00 0.00 0.00 175.10 175.91 1s83 s ALA 119 N 1.78 -0.50 0.54 5.51 0.00 -0.82 -0.88 121.76 127.38 1s83 s ALA 119 Ca 0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 51.96 51.73 1s83 s ALA 119 Cb -0.17 0.21 -0.07 0.00 0.00 0.00 0.00 23.12 23.09 1s83 s ALA 119 CO -0.11 -0.32 1.01 0.95 0.00 0.00 0.00 175.76 177.29 1s83 s THR 120 N -2.07 4.31 -0.04 0.00 -4.23 -1.26 -3.00 115.64 109.35 1s83 s THR 120 Ca -0.09 1.11 0.01 0.00 -1.18 0.00 0.00 61.69 61.54 1s83 s THR 120 Cb -0.03 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.16 1s83 s THR 120 CO -0.01 -0.63 -0.04 0.54 -0.54 0.00 0.00 174.62 173.94 1s83 s VAL 121 N -2.57 3.91 0.39 2.29 0.11 -0.46 -4.85 120.40 119.23 1s83 s VAL 121 Ca 0.60 -0.54 -0.26 0.00 -2.93 0.00 0.00 61.98 58.85 1s83 s VAL 121 Cb -0.12 -2.67 -0.09 0.00 -1.53 0.00 0.00 36.38 31.97 1s83 s VAL 121 CO 0.33 0.50 1.31 -0.44 -3.33 0.00 0.00 175.10 173.47 1s83 s SER 122 N -1.15 6.38 0.83 3.54 0.01 -1.25 -4.60 113.70 117.46 1s83 s SER 122 Ca 0.15 2.67 -0.11 0.00 1.31 0.00 0.00 55.95 59.98 1s83 s SER 122 Cb -0.11 -2.64 0.09 0.00 0.21 0.00 0.00 66.02 63.57 1s83 s SER 122 CO 0.05 -0.80 1.10 -0.76 0.41 0.00 0.00 173.24 173.24 1s83 s LEU 123 N -2.33 2.77 0.42 2.44 1.43 -1.26 -0.90 118.68 121.25 1s83 s LEU 123 Ca 0.56 1.77 -0.26 0.00 -1.03 0.00 0.00 54.13 55.17 1s83 s LEU 123 Cb -0.38 -4.35 -0.09 0.00 0.03 0.00 0.00 46.19 41.40 1s83 s LEU 123 CO 0.50 -2.36 1.43 -2.84 0.23 0.00 0.00 176.35 173.32 1s83 s PRO 124 N -4.87 3.84 0.11 1.29 0.02 -1.26 -4.65 135.00 129.48 1s83 s PRO 124 Ca 0.62 2.44 0.16 0.00 0.02 0.00 0.00 61.00 64.25 1s83 s PRO 124 Cb -0.18 -2.76 -0.09 0.00 0.02 0.00 0.00 34.50 31.48 1s83 s PRO 124 CO 0.57 -0.70 1.00 0.00 -0.33 0.00 0.00 177.00 177.53 1s83 h ARG 125 N 2.57 0.00 -3.36 5.54 3.08 -1.96 -3.49 114.38 116.76 1s83 h ARG 125 Ca -0.51 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.51 1s83 h ARG 125 Cb 1.26 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.25 1s83 h ARG 125 CO 0.62 0.39 0.07 -1.54 -1.07 0.00 0.00 179.97 178.44 1s83 s SER 127 N -6.01 -0.02 0.72 7.04 1.04 -1.26 -5.16 113.70 110.05 1s83 s SER 127 Ca -0.01 -0.93 -0.11 0.00 0.48 0.00 0.00 55.95 55.38 1s83 s SER 127 Cb 0.08 0.69 0.03 0.00 0.10 0.00 0.00 66.02 66.93 1s83 s SER 127 CO 0.80 -1.34 1.07 0.00 0.98 0.00 0.00 173.24 174.76 1s83 s ALA 129 N -2.94 3.73 0.65 0.00 0.00 -1.26 -5.07 121.76 116.86 1s83 s ALA 129 Ca 0.60 -0.30 -0.18 0.00 0.00 0.00 0.00 51.96 52.08 1s83 s ALA 129 Cb -0.16 -2.32 -0.01 0.00 0.00 0.00 0.00 23.12 20.64 1s83 s ALA 129 CO 0.54 0.51 1.26 0.00 0.00 0.00 0.00 175.76 178.08 1s83 s ALA 130 N -1.13 2.38 0.41 0.00 0.00 -1.26 -4.95 121.76 117.21 1s83 s ALA 130 Ca 0.24 1.12 -0.27 0.00 0.00 0.00 0.00 51.96 53.06 1s83 s ALA 130 Cb -0.16 -3.52 -0.10 0.00 0.00 0.00 0.00 23.12 19.35 1s83 s ALA 130 CO 0.13 -1.53 1.45 0.00 0.00 0.00 0.00 175.76 175.81 1s83 n ALA 132 N -1.94 2.16 -0.42 0.00 0.00 -1.26 -2.22 120.51 116.83 1s83 n ALA 132 Ca 0.15 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1s83 n ALA 132 Cb 0.49 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1s83 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s83 n GLY 133 N 0.53 1.22 3.75 0.00 0.00 0.14 -4.98 105.19 105.85 1s83 n GLY 133 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1s83 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s83 s THR 134 N -3.07 2.29 0.19 2.61 2.01 -0.94 -4.63 115.64 114.10 1s83 s THR 134 Ca 0.00 0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 1s83 s THR 134 Cb 0.00 -3.15 -0.08 0.00 0.01 0.00 0.00 72.50 69.28 1s83 s THR 134 CO 0.00 0.04 1.03 -1.61 -0.69 0.00 0.00 174.62 173.38 1s83 s GLU 135 N -0.36 4.69 0.18 4.92 0.41 -1.26 -0.90 118.70 126.38 1s83 s GLU 135 Ca 0.62 1.61 0.03 0.00 -0.41 0.00 0.00 54.97 56.82 1s83 s GLU 135 Cb -0.46 -3.29 -0.05 0.00 -1.78 0.00 0.00 34.13 28.56 1s83 s GLU 135 CO 0.45 0.24 -0.02 0.00 -0.49 0.00 0.00 175.26 175.44 1s83 s LEU 137 N -3.20 2.10 -0.10 0.00 2.96 0.07 -1.22 118.68 119.29 1s83 s LEU 137 Ca 0.24 -0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 53.49 1s83 s LEU 137 Cb 0.05 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.26 1s83 s LEU 137 CO 0.04 -0.01 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.40 1s83 s ILE 138 N 1.31 3.95 0.05 6.68 1.01 -0.04 -1.40 121.20 132.76 1s83 s ILE 138 Ca 0.05 -0.37 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 1s83 s ILE 138 Cb -0.13 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 1s83 s ILE 138 CO -0.13 0.57 0.08 -0.94 0.00 0.00 0.00 174.94 174.53 1s83 s SER 139 N -0.52 0.25 0.00 3.58 1.04 -1.19 -0.97 113.70 115.89 1s83 s SER 139 Ca 0.08 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1s83 s SER 139 Cb -0.12 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1s83 s SER 139 CO 0.02 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.26 1s83 n GLY 140 N 0.37 0.54 1.74 7.32 0.00 -0.43 -4.35 105.19 110.37 1s83 n GLY 140 Ca -0.17 -1.11 -0.06 0.00 0.00 0.00 0.00 46.02 44.68 1s83 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1s83 n TRP 141 N -0.72 2.11 -1.55 1.61 8.01 -1.26 -1.94 117.44 123.69 1s83 n TRP 141 Ca 0.00 -1.32 -0.25 0.00 -1.31 0.00 0.00 57.50 54.62 1s83 n TRP 141 Cb 0.00 -0.64 0.18 0.00 -2.01 0.00 0.00 31.31 28.84 1s83 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1s83 n GLY 142 N -0.52 -1.80 3.67 6.99 0.00 -1.24 -4.28 105.19 108.01 1s83 n GLY 142 Ca 0.40 -1.64 -0.44 0.00 0.00 0.00 0.00 46.02 44.33 1s83 n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1s83 n ASN 143 N -3.95 2.68 -0.22 1.61 5.15 -0.27 -3.13 115.26 117.12 1s83 n ASN 143 Ca 0.14 1.16 0.07 0.00 -0.60 0.00 0.00 54.58 55.34 1s83 n ASN 143 Cb 0.49 -1.43 -0.03 0.00 -0.53 0.00 0.00 39.78 38.28 1s83 n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1s83 n THR 144 N 1.55 0.00 -4.11 -0.44 -2.24 -0.45 -1.10 114.28 107.49 1s83 n THR 144 Ca 0.10 -0.28 -0.36 0.00 -2.27 0.00 0.00 64.05 61.24 1s83 n THR 144 Cb 0.32 1.12 -0.08 0.00 -2.10 0.00 0.00 70.33 69.59 1s83 n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1s83 s LYS 145 N -1.99 3.32 0.20 -0.78 3.01 -1.26 -4.51 119.74 117.73 1s83 s LYS 145 Ca 0.10 -0.28 0.25 0.00 -1.01 0.00 0.00 55.97 55.03 1s83 s LYS 145 Cb 0.12 -3.03 0.51 0.00 -1.01 0.00 0.00 37.83 34.42 1s83 s LYS 145 CO 0.45 0.67 1.52 0.66 0.51 0.00 0.00 175.35 179.17 1s83 h SER 146 N 5.30 0.00 -3.30 2.83 4.64 -1.94 -3.43 113.55 117.66 1s83 h SER 146 Ca -0.51 -0.08 -0.47 0.00 -0.47 0.00 0.00 61.79 60.26 1s83 h SER 146 Cb 1.20 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.93 1s83 h SER 146 CO 0.58 0.04 -0.79 -0.44 -0.87 0.00 0.00 176.83 175.36 1s83 s SER 147 N -4.67 1.66 0.29 4.97 0.01 -1.26 -5.00 113.70 109.71 1s83 s SER 147 Ca 0.08 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1s83 s SER 147 Cb 0.12 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 65.71 1s83 s SER 147 CO 0.67 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.82 1s83 n GLY 148 N 4.63 0.40 3.57 3.44 0.00 -1.26 -4.95 105.19 111.03 1s83 n GLY 148 Ca -0.15 -0.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.84 1s83 n GLY 148 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s83 s SER 149 N -4.00 -0.85 -0.29 1.61 0.15 -1.26 -4.77 113.70 104.28 1s83 s SER 149 Ca 0.00 1.40 0.01 0.00 0.70 0.00 0.00 55.95 58.05 1s83 s SER 149 Cb 0.00 1.28 0.18 0.00 -1.71 0.00 0.00 66.02 65.77 1s83 s SER 149 CO 0.00 -0.23 0.54 -0.55 1.20 0.00 0.00 173.24 174.19 1s83 s SER 150 N 1.51 -0.96 -0.01 5.45 0.15 -1.26 -4.92 113.70 113.66 1s83 s SER 150 Ca -0.09 0.46 -0.30 0.00 0.70 0.00 0.00 55.95 56.72 1s83 s SER 150 Cb -0.06 1.83 -0.03 0.00 -1.71 0.00 0.00 66.02 66.05 1s83 s SER 150 CO -0.17 -0.29 0.97 -0.31 1.20 0.00 0.00 173.24 174.64 1s83 s TYR 151 N 2.76 3.65 0.39 3.44 1.51 -1.26 -1.34 117.35 126.49 1s83 s TYR 151 Ca 0.16 1.67 -0.10 0.00 -1.01 0.00 0.00 57.07 57.79 1s83 s TYR 151 Cb -0.14 -3.11 -0.06 0.00 -0.11 0.00 0.00 41.96 38.54 1s83 s TYR 151 CO -0.22 -0.02 0.74 -1.25 -1.11 0.00 0.00 175.55 173.69 1s83 s PRO 152 N 1.08 3.77 0.10 -1.71 0.04 -1.26 -5.00 135.00 132.01 1s83 s PRO 152 Ca 0.51 0.42 -0.11 0.00 0.04 0.00 0.00 61.00 61.86 1s83 s PRO 152 Cb -0.21 -2.42 -0.16 0.00 0.04 0.00 0.00 34.50 31.75 1s83 s PRO 152 CO 0.27 0.00 1.27 0.77 0.04 0.00 0.00 177.00 179.35 1s83 h SER 153 N 1.35 0.86 -2.74 6.66 0.02 -1.94 -3.46 113.55 114.29 1s83 h SER 153 Ca -0.47 -0.62 -0.65 0.00 -0.84 0.00 0.00 61.79 59.20 1s83 h SER 153 Cb 1.19 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 63.41 1s83 h SER 153 CO 0.64 1.42 -0.46 -0.76 -1.14 0.00 0.00 176.83 176.53 1s83 s LEU 154 N -8.20 4.38 0.21 5.07 1.43 -1.26 -1.35 118.68 118.97 1s83 s LEU 154 Ca -0.09 0.45 -0.32 0.00 -1.03 0.00 0.00 54.13 53.14 1s83 s LEU 154 Cb 0.08 -2.35 -0.12 0.00 0.03 0.00 0.00 46.19 43.83 1s83 s LEU 154 CO 0.90 0.34 1.72 -0.22 0.23 0.00 0.00 176.35 179.32 1s83 s LEU 155 N -1.44 4.37 0.07 1.79 2.96 -1.05 -4.87 118.68 120.51 1s83 s LEU 155 Ca 0.21 2.88 0.01 0.00 -0.22 0.00 0.00 54.13 57.01 1s83 s LEU 155 Cb -0.13 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 1s83 s LEU 155 CO 0.11 -0.98 0.18 -1.10 -1.32 0.00 0.00 176.35 173.25 1s83 s GLN 156 N 1.11 3.31 0.14 1.98 -1.52 -0.82 -1.29 119.66 122.58 1s83 s GLN 156 Ca 0.74 -0.50 0.07 0.00 -1.95 0.00 0.00 55.36 53.72 1s83 s GLN 156 Cb -0.50 -2.97 -0.04 0.00 -0.22 0.00 0.00 33.01 29.29 1s83 s GLN 156 CO 0.33 0.60 -0.16 0.00 -0.25 0.00 0.00 175.29 175.80 1s83 s LEU 158 N -2.55 -0.15 -0.11 0.00 2.96 -0.14 -1.31 118.68 117.38 1s83 s LEU 158 Ca 0.12 0.88 -0.20 0.00 -0.22 0.00 0.00 54.13 54.72 1s83 s LEU 158 Cb -0.05 1.31 -0.04 0.00 0.50 0.00 0.00 46.19 47.91 1s83 s LEU 158 CO 0.04 -0.20 0.55 -0.54 -1.32 0.00 0.00 176.35 174.89 1s83 s LYS 159 N 1.57 4.36 -0.04 1.98 -0.14 -1.26 -0.86 119.74 125.35 1s83 s LYS 159 Ca -0.08 0.58 -0.21 0.00 -1.36 0.00 0.00 55.97 54.90 1s83 s LYS 159 Cb -0.09 -3.45 0.04 0.00 -1.68 0.00 0.00 37.83 32.65 1s83 s LYS 159 CO -0.13 0.10 0.45 0.00 -0.76 0.00 0.00 175.35 175.02 1s83 s ALA 160 N 0.76 -1.15 0.21 5.17 0.00 -0.36 -4.98 121.76 121.41 1s83 s ALA 160 Ca 0.29 0.73 -0.04 0.00 0.00 0.00 0.00 51.96 52.95 1s83 s ALA 160 Cb -0.16 -0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 1s83 s ALA 160 CO 0.13 -0.30 0.45 -1.25 0.00 0.00 0.00 175.76 174.79 1s83 s PRO 161 N -1.18 3.62 0.13 0.00 0.04 -1.26 -0.76 135.00 135.59 1s83 s PRO 161 Ca -0.12 -0.08 -0.31 0.00 0.04 0.00 0.00 61.00 60.53 1s83 s PRO 161 Cb -0.03 -2.77 -0.10 0.00 0.04 0.00 0.00 34.50 31.64 1s83 s PRO 161 CO 0.06 0.36 1.64 0.08 0.04 0.00 0.00 177.00 179.18 1s83 s VAL 162 N -1.85 2.69 0.51 -0.36 1.01 -0.08 -1.78 120.40 120.54 1s83 s VAL 162 Ca 0.42 0.38 -0.08 0.00 0.00 0.00 0.00 61.98 62.69 1s83 s VAL 162 Cb -0.11 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1s83 s VAL 162 CO 0.27 0.02 0.86 -0.76 0.00 0.00 0.00 175.10 175.48 1s83 s LEU 163 N 1.81 3.55 0.94 3.92 1.43 -0.09 -0.68 118.68 129.56 1s83 s LEU 163 Ca 0.73 1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 54.85 1s83 s LEU 163 Cb -0.43 -4.09 0.14 0.00 0.03 0.00 0.00 46.19 41.83 1s83 s LEU 163 CO 0.32 -0.63 1.03 -1.54 0.23 0.00 0.00 176.35 175.76 1s83 n SER 164 N -2.20 -0.12 0.16 2.29 3.41 -1.26 -4.75 113.62 111.14 1s83 n SER 164 Ca 0.03 0.38 0.01 0.00 -0.26 0.00 0.00 58.87 59.03 1s83 n SER 164 Cb 0.55 -1.43 0.24 0.00 -0.26 0.00 0.00 64.21 63.31 1s83 n SER 164 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1s83 h ASP 165 N -1.89 0.00 0.43 4.04 3.32 -1.98 -1.42 116.42 118.92 1s83 h ASP 165 Ca -0.44 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 1s83 h ASP 165 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1s83 h ASP 165 CO 0.40 0.51 -0.21 -1.28 -1.72 0.00 0.00 179.24 176.95 1s83 h SER 166 N 0.00 -0.49 -0.81 6.45 0.87 -1.99 -2.78 113.55 114.80 1s83 h SER 166 Ca -0.01 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 1s83 h SER 166 Cb 0.99 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 63.04 1s83 h SER 166 CO 0.07 -0.24 0.42 0.28 -0.53 0.00 0.00 176.83 176.83 1s83 h SER 167 N -0.73 1.03 0.17 6.23 0.02 -1.88 -1.40 113.55 117.00 1s83 h SER 167 Ca -0.06 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1s83 h SER 167 Cb 0.52 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1s83 h SER 167 CO 0.10 0.85 -0.08 0.00 -1.14 0.00 0.00 176.83 176.56 1s83 h LYS 169 N -0.84 0.04 0.00 0.00 1.57 -1.54 -2.40 116.57 113.39 1s83 h LYS 169 Ca -0.02 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 1s83 h LYS 169 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1s83 h LYS 169 CO 0.04 0.57 -0.46 0.77 -0.57 0.00 0.00 179.45 179.80 1s83 h SER 170 N 0.03 0.00 0.71 0.86 0.02 -1.35 -3.05 113.55 110.77 1s83 h SER 170 Ca -0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1s83 h SER 170 Cb 0.97 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 1s83 h SER 170 CO 0.07 0.46 -0.51 0.28 -1.14 0.00 0.00 176.83 175.99 1s83 h SER 171 N 0.00 0.00 -2.05 3.07 0.02 -1.23 -3.37 113.55 110.00 1s83 h SER 171 Ca -0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 1s83 h SER 171 Cb 0.87 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.01 1s83 h SER 171 CO 0.06 0.51 -0.99 -1.22 -1.14 0.00 0.00 176.83 174.05 1s83 n TYR 172 N -3.70 0.58 -1.67 3.45 4.02 -1.16 -4.88 117.16 113.81 1s83 n TYR 172 Ca -0.01 -3.70 -0.50 0.00 -0.01 0.00 0.00 57.90 53.69 1s83 n TYR 172 Cb 0.56 -0.40 -0.05 0.00 -0.02 0.00 0.00 39.34 39.44 1s83 n TYR 172 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1s83 n PRO 173 N 1.28 1.84 -0.96 -0.72 -0.02 -1.18 -1.47 135.00 133.77 1s83 n PRO 173 Ca 0.23 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1s83 n PRO 173 Cb 0.50 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1s83 n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s83 n GLY 174 N 3.72 0.74 0.04 -1.23 0.00 -1.26 -4.87 105.19 102.34 1s83 n GLY 174 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.25 1s83 n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s83 n GLN 175 N -2.18 4.25 -3.23 1.61 6.02 -0.54 -4.93 117.38 118.39 1s83 n GLN 175 Ca 0.00 -0.17 -0.42 0.00 -0.01 0.00 0.00 57.00 56.40 1s83 n GLN 175 Cb 0.02 -0.80 -0.08 0.00 1.02 0.00 0.00 30.24 30.40 1s83 n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1s83 s ILE 176 N -1.22 5.00 0.79 5.09 -1.09 -1.25 -5.03 121.20 123.49 1s83 s ILE 176 Ca 0.03 0.29 -0.05 0.00 -2.23 0.00 0.00 60.65 58.68 1s83 s ILE 176 Cb 0.04 -4.00 0.15 0.00 -1.58 0.00 0.00 42.46 37.07 1s83 s ILE 176 CO 0.16 -0.27 1.09 0.42 -1.23 0.00 0.00 174.94 175.12 1s83 s THR 177 N 2.44 2.09 -0.91 2.92 -4.23 -1.26 -4.96 115.64 111.72 1s83 s THR 177 Ca 0.19 -0.42 0.13 0.00 -1.18 0.00 0.00 61.69 60.41 1s83 s THR 177 Cb -0.15 -2.67 0.11 0.00 1.34 0.00 0.00 72.50 71.13 1s83 s THR 177 CO 0.14 0.00 1.40 0.61 -0.54 0.00 0.00 174.62 176.23 1s83 n GLY 178 N -3.12 -0.92 1.79 3.99 0.00 -1.26 -2.55 105.19 103.13 1s83 n GLY 178 Ca 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 1s83 n GLY 178 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s83 n ASN 179 N -1.61 4.91 -4.02 1.61 3.02 -1.26 -4.94 115.26 112.97 1s83 n ASN 179 Ca 0.02 -3.14 -0.14 0.00 -0.03 0.00 0.00 54.58 51.30 1s83 n ASN 179 Cb 0.13 -0.70 -0.12 0.00 -0.61 0.00 0.00 39.78 38.48 1s83 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1s83 s MET 180 N -2.92 0.46 0.11 3.52 -1.94 -1.06 -1.16 119.30 116.31 1s83 s MET 180 Ca 0.53 -0.54 0.04 0.00 -1.71 0.00 0.00 55.69 54.01 1s83 s MET 180 Cb 0.42 -0.29 -0.04 0.00 2.01 0.00 0.00 34.83 36.94 1s83 s MET 180 CO 0.13 0.06 -0.10 0.96 -0.01 0.00 0.00 175.02 176.06 1s83 s ILE 181 N -0.94 1.02 -0.08 2.53 -4.36 -0.33 -4.79 121.20 114.24 1s83 s ILE 181 Ca -0.06 -1.76 -0.03 0.00 -0.26 0.00 0.00 60.65 58.54 1s83 s ILE 181 Cb -0.07 -1.50 -0.04 0.00 1.25 0.00 0.00 42.46 42.10 1s83 s ILE 181 CO 0.00 -0.60 0.06 0.00 0.24 0.00 0.00 174.94 174.64 1s83 s VAL 183 N -0.98 0.05 -2.42 0.00 1.01 -1.01 -0.91 120.40 116.13 1s83 s VAL 183 Ca 0.15 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1s83 s VAL 183 Cb -0.12 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.09 1s83 s VAL 183 CO 0.05 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1s83 n GLY 184 N 4.22 0.37 2.91 4.51 0.00 -0.73 -3.79 105.19 112.68 1s83 n GLY 184 Ca -0.26 -1.27 -0.15 0.00 0.00 0.00 0.00 46.02 44.35 1s83 n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s83 s PHE 184 N -4.00 0.30 -0.16 1.61 0.40 -1.26 -4.22 117.98 110.64 1s83 s PHE 184 Ca 0.00 -0.05 0.16 0.00 -0.60 0.00 0.00 56.93 56.44 1s83 s PHE 184 Cb 0.00 -0.22 0.04 0.00 0.51 0.00 0.00 43.02 43.35 1s83 s PHE 184 CO 0.00 -0.02 1.35 -0.07 0.70 0.00 0.00 175.22 177.18 1s83 h LEU 185 N 6.22 0.00 -0.88 -0.37 3.38 -1.95 -3.35 115.31 118.36 1s83 h LEU 185 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1s83 h LEU 185 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1s83 h LEU 185 CO 0.50 0.49 0.00 1.05 0.09 0.00 0.00 178.44 180.57 1s83 h GLU 186 N 0.00 0.00 0.00 1.13 4.11 -1.96 0.30 114.58 118.16 1s83 h GLU 186 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1s83 h GLU 186 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1s83 h GLU 186 CO 0.06 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.55 1s83 n GLY 187 N -0.23 -1.46 0.30 1.06 0.00 -1.25 -4.46 105.19 99.15 1s83 n GLY 187 Ca 0.01 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1s83 n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s83 n GLY 188 N -1.38 1.23 2.64 -0.02 0.00 -0.03 -4.95 105.19 102.69 1s83 n GLY 188 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1s83 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s83 s LYS 188 N -0.91 0.26 0.13 1.61 1.02 -1.26 -3.32 119.74 117.26 1s83 s LYS 188 Ca 0.00 -0.24 -0.25 0.00 0.02 0.00 0.00 55.97 55.50 1s83 s LYS 188 Cb 0.00 -1.87 0.07 0.00 -0.52 0.00 0.00 37.83 35.51 1s83 s LYS 188 CO 0.00 -0.70 0.91 0.34 -0.92 0.00 0.00 175.35 174.98 1s83 s ASP 189 N 2.04 -0.25 0.52 2.83 2.15 -0.54 -4.33 116.67 119.10 1s83 s ASP 189 Ca 0.02 -0.30 -0.09 0.00 0.43 0.00 0.00 52.55 52.60 1s83 s ASP 189 Cb -0.16 0.49 -0.05 0.00 -0.30 0.00 0.00 42.92 42.90 1s83 s ASP 189 CO -0.11 -0.87 0.89 -0.94 -0.17 0.00 0.00 175.17 173.96 1s83 s SER 190 N -2.82 6.32 0.31 -0.34 1.04 -1.26 -0.92 113.70 116.03 1s83 s SER 190 Ca 0.10 1.18 0.07 0.00 0.48 0.00 0.00 55.95 57.78 1s83 s SER 190 Cb -0.02 -2.36 -0.03 0.00 0.10 0.00 0.00 66.02 63.72 1s83 s SER 190 CO -0.01 -0.66 0.25 0.00 0.98 0.00 0.00 173.24 173.80 1s83 n GLN 192 N -0.61 1.14 0.00 0.00 10.64 -1.26 -0.90 117.38 126.39 1s83 n GLN 192 Ca 0.06 0.41 0.00 0.00 -1.83 0.00 0.00 57.00 55.63 1s83 n GLN 192 Cb 0.56 -1.91 0.00 0.00 -0.86 0.00 0.00 30.24 28.03 1s83 n GLN 192 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1s83 n GLY 193 N 2.04 2.94 0.15 2.61 0.00 -1.26 -1.11 105.19 110.55 1s83 n GLY 193 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1s83 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s83 h ASP 194 N 0.00 0.00 -1.06 1.61 3.32 -1.33 -3.29 116.42 115.68 1s83 h ASP 194 Ca 0.00 -0.03 -0.74 0.00 0.02 0.00 0.00 57.03 56.28 1s83 h ASP 194 Cb 0.00 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.62 1s83 h ASP 194 CO 0.00 0.02 -0.12 -1.20 -1.72 0.00 0.00 179.24 176.21 1s83 n SER 195 N -2.70 -0.34 0.00 6.45 7.64 -1.24 -1.39 113.62 122.05 1s83 n SER 195 Ca 0.03 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1s83 n SER 195 Cb 0.51 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1s83 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s83 n GLY 196 N 1.71 2.56 3.89 0.23 0.00 -0.00 -0.50 105.19 113.07 1s83 n GLY 196 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1s83 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s83 s GLY 197 N -1.89 1.75 0.37 -0.02 0.00 -0.49 -3.46 107.32 103.58 1s83 s GLY 197 Ca 0.00 -1.16 -0.16 0.00 0.00 0.00 0.00 44.72 43.40 1s83 s GLY 197 CO 0.00 -0.38 0.81 2.56 0.00 0.00 0.00 173.10 176.09 1s83 s PRO 198 N -5.82 4.05 -0.26 2.90 0.04 -1.26 -1.04 135.00 133.61 1s83 s PRO 198 Ca 0.73 0.80 0.02 0.00 0.04 0.00 0.00 61.00 62.59 1s83 s PRO 198 Cb -0.05 -2.34 0.07 0.00 0.04 0.00 0.00 34.50 32.22 1s83 s PRO 198 CO 0.53 0.07 -0.06 0.08 0.04 0.00 0.00 177.00 177.67 1s83 s VAL 199 N -2.09 1.84 -0.18 -0.36 1.01 -0.44 -3.17 120.40 117.02 1s83 s VAL 199 Ca 0.56 -1.53 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 1s83 s VAL 199 Cb -0.10 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 1s83 s VAL 199 CO 0.18 -0.15 -0.08 -0.69 0.00 0.00 0.00 175.10 174.35 1s83 s VAL 200 N 1.23 3.30 -0.10 2.92 1.01 -0.49 -1.21 120.40 127.05 1s83 s VAL 200 Ca -0.05 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1s83 s VAL 200 Cb -0.19 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.76 1s83 s VAL 200 CO -0.07 0.47 -0.11 0.00 0.00 0.00 0.00 175.10 175.40 1s83 n ASN 202 N 4.40 -0.41 -0.03 0.00 3.02 -1.26 -1.47 115.26 119.52 1s83 n ASN 202 Ca -0.18 -1.05 -0.00 0.00 -0.03 0.00 0.00 54.58 53.31 1s83 n ASN 202 Cb 0.51 -2.77 -0.00 0.00 -0.61 0.00 0.00 39.78 36.91 1s83 n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s83 n GLY 203 N -2.02 0.43 3.14 7.41 0.00 -1.26 -5.00 105.19 107.89 1s83 n GLY 203 Ca -0.27 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 1s83 n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s83 s GLN 204 N -0.56 1.22 -0.76 1.61 -0.21 -0.54 -3.93 119.66 116.48 1s83 s GLN 204 Ca 0.00 -0.59 -0.26 0.00 0.02 0.00 0.00 55.36 54.53 1s83 s GLN 204 Cb 0.00 -1.19 0.01 0.00 1.00 0.00 0.00 33.01 32.83 1s83 s GLN 204 CO 0.00 0.32 1.54 -1.17 -2.12 0.00 0.00 175.29 173.86 1s83 s LEU 209 N -0.47 3.25 0.03 2.90 2.96 -0.08 -1.08 118.68 126.18 1s83 s LEU 209 Ca 0.06 -0.40 0.21 0.00 -0.22 0.00 0.00 54.13 53.78 1s83 s LEU 209 Cb -0.06 -2.55 -0.22 0.00 0.50 0.00 0.00 46.19 43.86 1s83 s LEU 209 CO -0.00 -2.04 0.64 0.00 -1.32 0.00 0.00 176.35 173.63 1s83 n GLN 210 N 9.20 0.64 -4.02 1.98 1.13 -0.35 -4.04 117.38 121.91 1s83 n GLN 210 Ca 0.17 -0.05 -0.08 0.00 -1.94 0.00 0.00 57.00 55.09 1s83 n GLN 210 Cb 0.50 -1.64 -0.10 0.00 0.11 0.00 0.00 30.24 29.11 1s83 n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1s83 s GLY 211 N -4.58 0.34 -0.09 1.08 0.00 -0.94 -1.83 107.32 101.29 1s83 s GLY 211 Ca -0.06 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 43.82 1s83 s GLY 211 CO 0.86 -0.98 -0.18 -0.42 0.00 0.00 0.00 173.10 172.39 1s83 s ILE 212 N -2.78 1.63 -0.05 0.90 1.01 -1.05 -1.33 121.20 119.54 1s83 s ILE 212 Ca -0.04 -0.75 -0.34 0.00 0.00 0.00 0.00 60.65 59.52 1s83 s ILE 212 Cb -0.00 -1.45 -0.12 0.00 0.01 0.00 0.00 42.46 40.90 1s83 s ILE 212 CO -0.06 0.47 1.84 0.52 0.00 0.00 0.00 174.94 177.71 1s83 n VAL 213 N 3.83 0.50 0.01 2.92 0.31 -0.21 -1.65 118.33 124.04 1s83 n VAL 213 Ca -0.20 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1s83 n VAL 213 Cb 0.52 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 1s83 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1s83 n SER 214 N 6.18 0.09 -3.93 4.52 2.88 -1.08 -0.82 113.62 121.46 1s83 n SER 214 Ca 0.22 0.03 -0.08 0.00 -1.33 0.00 0.00 58.87 57.70 1s83 n SER 214 Cb 0.30 -0.02 -0.04 0.00 -0.75 0.00 0.00 64.21 63.70 1s83 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1s83 s TRP 215 N -1.12 0.09 -0.05 0.66 1.48 -0.66 -4.94 118.94 114.40 1s83 s TRP 215 Ca 0.00 -0.50 -0.30 0.00 -1.06 0.00 0.00 56.10 54.24 1s83 s TRP 215 Cb 0.00 0.44 0.11 0.00 -1.16 0.00 0.00 33.47 32.86 1s83 s TRP 215 CO 0.00 -1.11 1.34 0.20 -4.06 0.00 0.00 176.95 173.32 1s83 s GLY 216 N -2.97 -0.26 -0.68 3.67 0.00 -1.26 -0.70 107.32 105.11 1s83 s GLY 216 Ca 0.17 0.33 -0.15 0.00 0.00 0.00 0.00 44.72 45.08 1s83 s GLY 216 CO 0.08 4.21 0.63 -0.47 0.00 0.00 0.00 173.10 177.54 1s83 s TYR 217 N -2.08 3.51 0.00 1.90 5.04 -1.26 -4.95 117.35 119.51 1s83 s TYR 217 Ca 0.25 -1.66 0.00 0.00 -2.44 0.00 0.00 57.07 53.22 1s83 s TYR 217 Cb 0.02 -3.80 0.00 0.00 0.35 0.00 0.00 41.96 38.53 1s83 s TYR 217 CO -0.03 -1.00 0.00 0.41 -1.34 0.00 0.00 175.55 173.59 1s83 n GLY 219 N 4.60 1.64 3.13 8.97 0.00 -1.26 -4.68 105.19 117.58 1s83 n GLY 219 Ca 0.00 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 1s83 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s83 n ALA 221 N 2.29 -0.21 -1.94 0.00 0.00 -1.26 -4.93 120.51 114.45 1s83 n ALA 221 Ca -0.17 0.23 -0.32 0.00 0.00 0.00 0.00 53.44 53.18 1s83 n ALA 221 Cb 0.57 -1.61 -0.05 0.00 0.00 0.00 0.00 19.45 18.37 1s83 n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1s83 s GLN 221 N -3.14 3.99 0.27 0.00 -0.21 -1.26 -0.85 119.66 118.45 1s83 s GLN 221 Ca 0.00 0.86 -0.30 0.00 0.02 0.00 0.00 55.36 55.94 1s83 s GLN 221 Cb 0.00 -2.23 -0.13 0.00 1.00 0.00 0.00 33.01 31.65 1s83 s GLN 221 CO 0.00 -0.12 1.46 1.17 -2.12 0.00 0.00 175.29 175.69 1s83 n LYS 222 N -1.16 2.28 -2.15 2.91 4.81 -1.26 -2.85 118.16 120.75 1s83 n LYS 222 Ca 0.05 0.81 -0.16 0.00 -0.87 0.00 0.00 58.31 58.15 1s83 n LYS 222 Cb 0.54 -2.51 -0.02 0.00 0.02 0.00 0.00 35.03 33.06 1s83 n LYS 222 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1s83 n ASN 223 N 2.02 -4.52 -3.21 3.14 4.13 0.09 -4.90 115.26 112.01 1s83 n ASN 223 Ca 0.10 0.19 -0.23 0.00 1.68 0.00 0.00 54.58 56.32 1s83 n ASN 223 Cb 0.34 -3.89 -0.06 0.00 -1.54 0.00 0.00 39.78 34.63 1s83 n ASN 223 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1s83 n LYS 224 N -2.64 1.19 -1.32 3.52 4.76 -1.13 -4.71 118.16 117.82 1s83 n LYS 224 Ca -0.18 -3.57 -0.32 0.00 -2.87 0.00 0.00 58.31 51.37 1s83 n LYS 224 Cb 0.60 -1.55 0.09 0.00 -1.84 0.00 0.00 35.03 32.34 1s83 n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1s83 s PRO 225 N -1.82 2.18 0.49 1.97 0.04 -1.26 -4.46 135.00 132.14 1s83 s PRO 225 Ca 0.38 1.37 -0.23 0.00 0.04 0.00 0.00 61.00 62.55 1s83 s PRO 225 Cb 0.22 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.82 1s83 s PRO 225 CO -0.09 -1.73 1.34 0.20 0.04 0.00 0.00 177.00 176.76 1s83 s GLY 226 N -2.88 2.88 -0.10 0.56 0.00 -1.25 -4.79 107.32 101.76 1s83 s GLY 226 Ca 0.65 1.29 -0.01 0.00 0.00 0.00 0.00 44.72 46.65 1s83 s GLY 226 CO 0.51 1.83 -0.06 0.14 0.00 0.00 0.00 173.10 175.52 1s83 s VAL 227 N -1.31 3.79 0.03 1.40 1.01 0.12 -2.40 120.40 123.04 1s83 s VAL 227 Ca 0.65 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.24 1s83 s VAL 227 Cb -0.39 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1s83 s VAL 227 CO 0.48 0.57 -0.12 -0.31 0.00 0.00 0.00 175.10 175.72 1s83 s TYR 228 N -0.46 1.04 0.20 5.22 1.51 0.28 -1.65 117.35 123.49 1s83 s TYR 228 Ca 0.07 -0.32 -0.30 0.00 -1.01 0.00 0.00 57.07 55.51 1s83 s TYR 228 Cb -0.12 -0.63 -0.09 0.00 -0.11 0.00 0.00 41.96 41.01 1s83 s TYR 228 CO 0.02 0.01 1.35 0.99 -1.11 0.00 0.00 175.55 176.81 1s83 s THR 229 N -0.76 3.09 -0.97 -0.71 2.01 -0.66 -1.18 115.64 116.45 1s83 s THR 229 Ca 0.00 0.89 -0.20 0.00 0.31 0.00 0.00 61.69 62.69 1s83 s THR 229 Cb -0.07 -3.57 0.10 0.00 0.01 0.00 0.00 72.50 68.98 1s83 s THR 229 CO 0.01 0.13 1.25 -0.75 -0.69 0.00 0.00 174.62 174.57 1s83 s LYS 230 N -0.06 3.61 0.56 4.92 2.20 -0.31 -2.53 119.74 128.13 1s83 s LYS 230 Ca 0.58 -1.56 0.24 0.00 -0.36 0.00 0.00 55.97 54.88 1s83 s LYS 230 Cb -0.38 -5.08 1.60 0.00 -1.51 0.00 0.00 37.83 32.46 1s83 s LYS 230 CO 0.39 -1.93 2.21 0.28 -0.36 0.00 0.00 175.35 175.94 1s83 h VAL 231 N 6.15 0.72 0.00 4.02 2.07 -1.64 -2.06 116.25 125.50 1s83 h VAL 231 Ca 0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1s83 h VAL 231 Cb 1.01 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1s83 h VAL 231 CO 1.23 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.82 1s83 n ASN 233 N -1.96 0.39 -0.07 0.00 3.02 -0.78 -4.45 115.26 111.41 1s83 n ASN 233 Ca 0.01 -0.17 0.01 0.00 -0.03 0.00 0.00 54.58 54.40 1s83 n ASN 233 Cb 0.11 -0.06 0.01 0.00 -0.61 0.00 0.00 39.78 39.24 1s83 n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1s83 n TYR 234 N -1.29 0.03 -0.22 3.10 4.01 -0.26 -4.73 117.16 117.80 1s83 n TYR 234 Ca 0.09 -0.24 -0.03 0.00 -0.16 0.00 0.00 57.90 57.56 1s83 n TYR 234 Cb 0.32 -0.02 0.16 0.00 -0.31 0.00 0.00 39.34 39.48 1s83 n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1s83 h VAL 235 N 0.29 1.23 -0.16 -0.72 2.07 -1.78 -0.57 116.25 116.62 1s83 h VAL 235 Ca 0.00 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1s83 h VAL 235 Cb 0.29 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1s83 h VAL 235 CO 0.00 0.29 0.06 0.78 0.02 0.00 0.00 177.57 178.72 1s83 h ASN 236 N 1.01 0.22 -0.72 0.57 2.35 -1.94 -0.84 115.58 116.23 1s83 h ASN 236 Ca 0.24 -0.18 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1s83 h ASN 236 Cb 0.15 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 1s83 h ASN 236 CO -0.03 0.34 0.47 -0.25 -1.65 0.00 0.00 177.43 176.31 1s83 h TRP 237 N 0.09 0.88 0.28 1.19 7.01 -1.78 0.10 115.95 123.72 1s83 h TRP 237 Ca 0.05 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 1s83 h TRP 237 Cb 0.19 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 26.96 1s83 h TRP 237 CO -0.01 0.54 -0.13 0.82 -2.79 0.00 0.00 178.44 176.86 1s83 h ILE 238 N 0.94 0.74 -0.50 2.65 2.04 -1.01 -1.18 117.51 121.20 1s83 h ILE 238 Ca 0.27 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.95 1s83 h ILE 238 Cb -0.06 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1s83 h ILE 238 CO -0.08 0.03 0.05 -0.61 0.00 0.00 0.00 178.15 177.54 1s83 h GLN 239 N -0.44 0.80 -0.54 2.37 5.75 -0.91 -1.50 115.11 120.64 1s83 h GLN 239 Ca -0.04 -0.19 -0.08 0.00 -0.15 0.00 0.00 58.65 58.18 1s83 h GLN 239 Cb 0.33 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 1s83 h GLN 239 CO 0.06 0.77 -0.00 1.96 -2.65 0.00 0.00 178.83 178.98 1s83 h GLN 240 N 0.76 0.92 -0.25 1.69 4.20 -0.90 -0.65 115.11 120.88 1s83 h GLN 240 Ca 0.16 -0.27 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 1s83 h GLN 240 Cb 0.39 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1s83 h GLN 240 CO 0.01 0.91 -0.13 1.15 -0.67 0.00 0.00 178.83 180.10 1s83 h THR 241 N 0.85 1.30 -0.28 -0.54 2.02 -0.90 -1.90 112.91 113.46 1s83 h THR 241 Ca 0.16 -1.22 0.03 0.00 0.77 0.00 0.00 66.41 66.15 1s83 h THR 241 Cb 0.50 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 1s83 h THR 241 CO 0.02 0.38 0.07 0.40 0.37 0.00 0.00 175.52 176.77 1s83 h ILE 242 N 0.25 0.89 -0.01 3.11 2.04 -1.11 -2.39 117.51 120.29 1s83 h ILE 242 Ca 0.05 -0.06 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 1s83 h ILE 242 Cb 0.64 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1s83 h ILE 242 CO 0.04 0.03 -0.25 0.00 0.00 0.00 0.00 178.15 177.97 1s83 h ALA 243 N 1.19 1.56 0.05 1.87 0.00 -0.98 -3.04 119.26 119.91 1s83 h ALA 243 Ca 0.13 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 1s83 h ALA 243 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1s83 h ALA 243 CO -0.15 0.33 -1.05 0.00 0.00 0.00 0.00 179.25 178.38 1s83 h ALA 244 N 1.73 0.31 -0.02 0.00 0.00 -1.12 -3.51 119.26 116.65 1s83 h ALA 244 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1s83 h ALA 244 Cb 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1s83 h ALA 244 CO 0.03 1.00 0.00 0.09 0.00 0.00 0.00 179.25 180.37