#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s82 s VAL 17 N 0.00 5.47 -0.06 1.39 1.01 0.03 -4.03 120.40 124.20 1s82 s VAL 17 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1s82 s VAL 17 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1s82 s VAL 17 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1s82 n GLY 18 N 2.60 0.47 0.00 4.51 0.00 -1.23 -1.95 105.19 109.60 1s82 n GLY 18 Ca -0.18 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1s82 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s82 n GLY 19 N -2.79 1.58 3.17 -0.02 0.00 -1.26 -4.85 105.19 101.02 1s82 n GLY 19 Ca -0.01 -1.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.02 1s82 n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1s82 s TYR 20 N 2.01 0.21 -0.02 1.61 1.13 -0.26 -4.97 117.35 117.07 1s82 s TYR 20 Ca 0.00 -0.62 -0.30 0.00 -1.41 0.00 0.00 57.07 54.74 1s82 s TYR 20 Cb 0.00 -0.12 -0.05 0.00 -1.10 0.00 0.00 41.96 40.69 1s82 s TYR 20 CO 0.00 -0.48 1.37 0.99 -2.51 0.00 0.00 175.55 174.92 1s82 s THR 21 N -3.56 3.82 0.55 -3.49 2.01 -1.26 -0.43 115.64 113.28 1s82 s THR 21 Ca 0.03 1.18 -0.22 0.00 0.31 0.00 0.00 61.69 62.99 1s82 s THR 21 Cb 0.04 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 1s82 s THR 21 CO -0.09 -0.01 1.34 0.00 -0.69 0.00 0.00 174.62 175.17 1s82 n ALA 23 N -1.07 0.35 -1.67 0.00 0.00 -1.26 -4.86 120.51 112.00 1s82 n ALA 23 Ca 0.11 0.34 -0.46 0.00 0.00 0.00 0.00 53.44 53.43 1s82 n ALA 23 Cb 0.45 -2.11 -0.04 0.00 0.00 0.00 0.00 19.45 17.75 1s82 n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s82 n ALA 24 N 0.09 1.30 -1.42 0.00 0.00 -1.26 -2.27 120.51 116.95 1s82 n ALA 24 Ca 0.08 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.77 1s82 n ALA 24 Cb 0.35 -2.41 -0.06 0.00 0.00 0.00 0.00 19.45 17.33 1s82 n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s82 n ASN 25 N 4.47 -5.51 0.00 0.00 4.13 -1.26 -4.86 115.26 112.23 1s82 n ASN 25 Ca 0.19 0.35 0.14 0.00 1.68 0.00 0.00 54.58 56.94 1s82 n ASN 25 Cb 0.30 -4.27 0.74 0.00 -1.54 0.00 0.00 39.78 35.01 1s82 n ASN 25 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1s82 n SER 26 N -1.12 0.00 -3.25 6.41 3.41 -0.96 -3.93 113.62 114.17 1s82 n SER 26 Ca -0.14 -0.31 -0.26 0.00 -0.26 0.00 0.00 58.87 57.90 1s82 n SER 26 Cb 0.60 -0.22 -0.07 0.00 -0.26 0.00 0.00 64.21 64.27 1s82 n SER 26 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1s82 n ILE 27 N -1.22 1.99 0.38 -1.33 2.08 -1.26 -4.97 119.36 115.03 1s82 n ILE 27 Ca 0.15 -5.12 0.11 0.00 0.56 0.00 0.00 62.75 58.46 1s82 n ILE 27 Cb 0.19 -1.78 0.49 0.00 -0.75 0.00 0.00 39.64 37.78 1s82 n ILE 27 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1s82 n PRO 28 N 0.60 0.18 0.03 0.38 -0.04 -1.25 -1.56 135.00 133.34 1s82 n PRO 28 Ca 0.29 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 64.30 1s82 n PRO 28 Cb 0.44 -1.86 0.26 0.00 -0.04 0.00 0.00 33.50 32.30 1s82 n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1s82 n TYR 29 N -2.20 0.31 -2.18 0.54 0.18 -1.13 -2.22 117.16 110.46 1s82 n TYR 29 Ca 0.02 0.09 -0.42 0.00 1.88 0.00 0.00 57.90 59.47 1s82 n TYR 29 Cb 0.21 -0.50 -0.03 0.00 -0.38 0.00 0.00 39.34 38.64 1s82 n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1s82 s GLN 30 N -3.08 4.32 0.27 -3.48 2.00 -0.60 -0.91 119.66 118.17 1s82 s GLN 30 Ca 0.09 2.06 0.11 0.00 -2.00 0.00 0.00 55.36 55.62 1s82 s GLN 30 Cb 0.15 -3.28 -0.05 0.00 0.80 0.00 0.00 33.01 30.64 1s82 s GLN 30 CO 0.68 -0.44 -0.12 0.14 -0.50 0.00 0.00 175.29 175.06 1s82 s VAL 31 N 1.20 2.90 -0.15 1.34 -7.23 -0.40 -4.45 120.40 113.60 1s82 s VAL 31 Ca 0.64 -2.17 -0.04 0.00 -1.81 0.00 0.00 61.98 58.60 1s82 s VAL 31 Cb -0.36 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 1s82 s VAL 31 CO 0.30 -0.37 -0.02 -0.55 -0.31 0.00 0.00 175.10 174.14 1s82 s SER 32 N -3.54 4.93 -0.18 4.85 0.15 -0.63 -2.29 113.70 116.99 1s82 s SER 32 Ca 0.30 -0.08 -0.18 0.00 0.70 0.00 0.00 55.95 56.69 1s82 s SER 32 Cb -0.06 -1.78 -0.04 0.00 -1.71 0.00 0.00 66.02 62.44 1s82 s SER 32 CO 0.17 0.19 0.49 -0.76 1.20 0.00 0.00 173.24 174.52 1s82 s LEU 33 N 0.27 4.18 -0.08 3.45 1.43 0.07 -0.67 118.68 127.34 1s82 s LEU 33 Ca -0.02 0.69 0.02 0.00 -1.03 0.00 0.00 54.13 53.79 1s82 s LEU 33 Cb -0.14 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.42 1s82 s LEU 33 CO 0.02 -0.11 -0.13 0.21 0.23 0.00 0.00 176.35 176.57 1s82 s ASN 34 N 0.98 1.95 -0.45 2.29 3.84 -0.29 -1.25 114.94 122.01 1s82 s ASN 34 Ca 0.24 -0.33 0.08 0.00 0.21 0.00 0.00 52.86 53.06 1s82 s ASN 34 Cb -0.15 -0.89 0.29 0.00 -0.55 0.00 0.00 41.25 39.95 1s82 s ASN 34 CO 0.10 0.03 0.67 -0.24 -2.79 0.00 0.00 177.10 174.86 1s82 n SER 37 N 3.92 1.50 0.00 -4.21 2.88 -1.26 -1.14 113.62 115.32 1s82 n SER 37 Ca -0.21 -3.03 0.00 0.00 -1.33 0.00 0.00 58.87 54.30 1s82 n SER 37 Cb 0.52 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 1s82 n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s82 n GLY 38 N 0.82 2.67 3.40 0.46 0.00 -1.26 -4.93 105.19 106.35 1s82 n GLY 38 Ca 0.25 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1s82 n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s82 s SER 39 N 0.40 -0.02 0.19 1.61 1.04 -1.26 -5.14 113.70 110.52 1s82 s SER 39 Ca 0.00 -0.85 -0.33 0.00 0.48 0.00 0.00 55.95 55.25 1s82 s SER 39 Cb 0.00 0.48 -0.14 0.00 0.10 0.00 0.00 66.02 66.46 1s82 s SER 39 CO 0.00 -0.96 1.46 1.57 0.98 0.00 0.00 173.24 176.29 1s82 n HIS 40 N -0.27 2.12 0.00 5.02 -0.00 -1.26 -4.34 115.22 116.48 1s82 n HIS 40 Ca -0.06 0.39 0.00 0.00 0.46 0.00 0.00 57.72 58.51 1s82 n HIS 40 Cb 0.63 -2.48 0.00 0.00 -0.12 0.00 0.00 29.99 28.02 1s82 n HIS 40 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 1s82 n PHE 41 N 2.58 0.00 -3.67 1.57 -1.74 -0.38 -4.94 117.46 110.88 1s82 n PHE 41 Ca 0.15 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.94 1s82 n PHE 41 Cb 0.29 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.26 1s82 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1s82 s GLY 43 N -2.85 1.78 0.24 0.00 0.00 -0.05 -0.75 107.32 105.70 1s82 s GLY 43 Ca 0.07 -1.83 -0.21 0.00 0.00 0.00 0.00 44.72 42.75 1s82 s GLY 43 CO -0.04 -1.39 0.94 -0.32 0.00 0.00 0.00 173.10 172.29 1s82 s GLY 44 N -4.62 0.11 -0.07 0.20 0.00 -0.97 -3.59 107.32 98.38 1s82 s GLY 44 Ca 0.62 -0.37 0.01 0.00 0.00 0.00 0.00 44.72 44.98 1s82 s GLY 44 CO 0.40 1.09 -0.08 -0.56 0.00 0.00 0.00 173.10 173.95 1s82 s SER 45 N -3.20 1.54 -0.19 1.64 0.01 -0.13 -1.27 113.70 112.10 1s82 s SER 45 Ca 0.18 -0.22 -0.29 0.00 1.31 0.00 0.00 55.95 56.92 1s82 s SER 45 Cb -0.03 -0.67 -0.02 0.00 0.21 0.00 0.00 66.02 65.51 1s82 s SER 45 CO 0.07 -0.04 1.36 -0.22 0.41 0.00 0.00 173.24 174.82 1s82 s LEU 46 N 1.03 4.09 0.00 2.44 2.96 -0.09 -0.78 118.68 128.33 1s82 s LEU 46 Ca -0.09 1.64 0.05 0.00 -0.22 0.00 0.00 54.13 55.51 1s82 s LEU 46 Cb -0.14 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1s82 s LEU 46 CO -0.00 -0.91 0.29 2.30 -1.32 0.00 0.00 176.35 176.70 1s82 n ILE 47 N 5.70 0.00 -3.54 6.68 -5.35 -0.58 -1.26 119.36 121.01 1s82 n ILE 47 Ca 0.15 -0.40 -0.14 0.00 -0.27 0.00 0.00 62.75 62.10 1s82 n ILE 47 Cb 0.45 1.02 -0.05 0.00 -1.74 0.00 0.00 39.64 39.32 1s82 n ILE 47 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1s82 s ASN 48 N -1.33 -0.48 0.57 7.28 3.84 -1.11 -4.69 114.94 119.02 1s82 s ASN 48 Ca 0.03 0.17 0.27 0.00 0.21 0.00 0.00 52.86 53.54 1s82 s ASN 48 Cb 0.04 0.52 1.50 0.00 -0.55 0.00 0.00 41.25 42.76 1s82 s ASN 48 CO 0.19 -0.76 2.00 0.77 -2.79 0.00 0.00 177.10 176.50 1s82 h SER 49 N 2.63 0.00 -0.01 -4.21 4.64 -1.96 -1.50 113.55 113.13 1s82 h SER 49 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1s82 h SER 49 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1s82 h SER 49 CO 0.41 0.00 -0.16 0.00 -0.87 0.00 0.00 176.83 176.20 1s82 n GLN 50 N -3.98 1.48 -3.98 4.77 6.02 -1.26 -0.95 117.38 119.48 1s82 n GLN 50 Ca 0.07 -1.06 -0.16 0.00 -0.01 0.00 0.00 57.00 55.84 1s82 n GLN 50 Cb 0.54 -1.26 -0.15 0.00 1.02 0.00 0.00 30.24 30.39 1s82 n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1s82 s TRP 51 N -1.54 0.30 -0.07 1.08 0.52 -0.57 -0.98 118.94 117.69 1s82 s TRP 51 Ca 0.15 -0.03 0.03 0.00 0.02 0.00 0.00 56.10 56.27 1s82 s TRP 51 Cb 0.12 -0.30 -0.02 0.00 -1.15 0.00 0.00 33.47 32.12 1s82 s TRP 51 CO 0.29 -0.07 -0.14 0.08 0.02 0.00 0.00 176.95 177.13 1s82 s VAL 52 N 0.50 3.09 -0.09 4.03 1.01 -0.29 -1.52 120.40 127.13 1s82 s VAL 52 Ca -0.05 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 1s82 s VAL 52 Cb -0.08 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1s82 s VAL 52 CO -0.01 0.58 0.01 0.54 0.00 0.00 0.00 175.10 176.22 1s82 s VAL 53 N -0.50 4.37 0.03 2.92 0.11 0.04 -0.67 120.40 126.69 1s82 s VAL 53 Ca 0.07 -0.22 -0.00 0.00 -2.93 0.00 0.00 61.98 58.89 1s82 s VAL 53 Cb -0.12 -2.85 0.00 0.00 -1.53 0.00 0.00 36.38 31.89 1s82 s VAL 53 CO 0.02 0.60 0.04 -0.24 -3.33 0.00 0.00 175.10 172.19 1s82 n SER 54 N 2.21 -0.12 -4.77 3.54 2.88 -0.43 -0.95 113.62 115.99 1s82 n SER 54 Ca -0.19 -1.15 -0.38 0.00 -1.33 0.00 0.00 58.87 55.82 1s82 n SER 54 Cb 0.54 0.22 -0.06 0.00 -0.75 0.00 0.00 64.21 64.16 1s82 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s82 s ALA 55 N -1.58 3.55 0.49 -1.46 0.00 -1.26 -1.07 121.76 120.43 1s82 s ALA 55 Ca 0.02 -0.12 0.17 0.00 0.00 0.00 0.00 51.96 52.04 1s82 s ALA 55 Cb -0.00 -2.61 1.21 0.00 0.00 0.00 0.00 23.12 21.73 1s82 s ALA 55 CO 0.02 0.21 2.07 0.00 0.00 0.00 0.00 175.76 178.05 1s82 h ALA 56 N 5.71 2.11 0.00 0.00 0.00 -1.67 -1.30 119.26 124.10 1s82 h ALA 56 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1s82 h ALA 56 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1s82 h ALA 56 CO 0.69 -0.18 0.00 -2.39 0.00 0.00 0.00 179.25 177.38 1s82 n HIS 57 N -4.48 0.16 1.74 0.00 1.44 -1.26 -1.30 115.22 111.52 1s82 n HIS 57 Ca 0.04 0.07 0.15 0.00 -2.01 0.00 0.00 57.72 55.96 1s82 n HIS 57 Cb 0.28 -0.61 0.81 0.00 0.12 0.00 0.00 29.99 30.59 1s82 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1s82 n TYR 59 N -0.90 1.94 -4.05 0.00 9.36 -0.42 -5.01 117.16 118.09 1s82 n TYR 59 Ca 0.20 0.45 -0.09 0.00 3.32 0.00 0.00 57.90 61.78 1s82 n TYR 59 Cb 0.19 -2.44 -0.11 0.00 -0.63 0.00 0.00 39.34 36.36 1s82 n TYR 59 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1s82 s LYS 60 N 0.31 0.49 0.45 2.98 1.02 -1.26 -5.07 119.74 118.66 1s82 s LYS 60 Ca 0.77 -0.91 0.25 0.00 0.02 0.00 0.00 55.97 56.09 1s82 s LYS 60 Cb -0.76 0.08 0.89 0.00 -0.52 0.00 0.00 37.83 37.52 1s82 s LYS 60 CO 0.45 -0.06 1.81 0.66 -0.92 0.00 0.00 175.35 177.29 1s82 h SER 61 N 3.94 0.00 -3.70 2.83 4.64 -2.00 -3.41 113.55 115.85 1s82 h SER 61 Ca -0.33 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.43 1s82 h SER 61 Cb 1.18 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.95 1s82 h SER 61 CO 0.52 0.19 -0.83 -0.13 -0.87 0.00 0.00 176.83 175.71 1s82 s ARG 62 N -3.57 1.85 -0.09 4.77 3.00 -1.26 -5.01 118.95 118.65 1s82 s ARG 62 Ca 0.01 -0.57 -0.05 0.00 0.00 0.00 0.00 55.73 55.13 1s82 s ARG 62 Cb 0.09 -1.56 0.04 0.00 0.00 0.00 0.00 34.95 33.52 1s82 s ARG 62 CO 0.63 0.17 0.21 0.42 0.00 0.00 0.00 175.30 176.73 1s82 s ILE 63 N 0.25 -0.03 -0.25 1.52 1.01 -1.26 -4.82 121.20 117.61 1s82 s ILE 63 Ca -0.08 0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.59 1s82 s ILE 63 Cb -0.13 -0.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 1s82 s ILE 63 CO 0.03 0.05 0.14 -1.58 0.00 0.00 0.00 174.94 173.58 1s82 s GLN 64 N 0.91 3.89 -0.03 2.79 0.74 -0.29 -1.29 119.66 126.38 1s82 s GLN 64 Ca -0.07 -0.36 -0.23 0.00 0.05 0.00 0.00 55.36 54.75 1s82 s GLN 64 Cb -0.08 -3.50 -0.04 0.00 1.10 0.00 0.00 33.01 30.49 1s82 s GLN 64 CO -0.05 -0.10 0.70 0.08 -0.55 0.00 0.00 175.29 175.37 1s82 s VAL 65 N 1.46 4.96 -0.29 1.34 1.01 -0.39 -1.14 120.40 127.34 1s82 s VAL 65 Ca 0.06 1.46 0.02 0.00 0.00 0.00 0.00 61.98 63.52 1s82 s VAL 65 Cb -0.15 -4.04 0.07 0.00 0.00 0.00 0.00 36.38 32.25 1s82 s VAL 65 CO 0.07 0.30 -0.03 -0.13 0.00 0.00 0.00 175.10 175.30 1s82 s ARG 66 N 0.47 2.13 0.27 2.72 0.52 0.15 -1.20 118.95 124.01 1s82 s ARG 66 Ca 0.37 -1.45 0.06 0.00 -0.52 0.00 0.00 55.73 54.18 1s82 s ARG 66 Cb -0.18 -3.06 -0.03 0.00 0.52 0.00 0.00 34.95 32.19 1s82 s ARG 66 CO 0.19 -0.68 0.33 -0.51 0.02 0.00 0.00 175.30 174.65 1s82 s LEU 67 N 1.10 4.09 -1.47 2.53 1.02 0.01 -1.61 118.68 124.35 1s82 s LEU 67 Ca -0.03 -0.09 0.00 0.00 0.02 0.00 0.00 54.13 54.02 1s82 s LEU 67 Cb -0.20 -2.67 0.00 0.00 0.02 0.00 0.00 46.19 43.34 1s82 s LEU 67 CO -0.05 -0.14 0.00 0.61 0.02 0.00 0.00 176.35 176.79 1s82 n GLY 69 N -1.39 1.41 3.82 -3.19 0.00 -1.26 -1.60 105.19 102.98 1s82 n GLY 69 Ca -0.07 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 1s82 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s82 s GLU 70 N -3.22 4.25 0.17 1.61 0.41 -1.26 -3.87 118.70 116.79 1s82 s GLU 70 Ca 0.00 1.13 0.00 0.00 -0.41 0.00 0.00 54.97 55.69 1s82 s GLU 70 Cb 0.00 -2.22 0.00 0.00 -1.78 0.00 0.00 34.13 30.13 1s82 s GLU 70 CO 0.00 -0.01 0.00 1.58 -0.49 0.00 0.00 175.26 176.34 1s82 n HIS 71 N -0.56 -1.00 -2.90 1.61 -0.00 -1.26 -4.61 115.22 106.50 1s82 n HIS 71 Ca 0.07 0.18 -0.43 0.00 -0.00 0.00 0.00 57.72 57.53 1s82 n HIS 71 Cb 0.54 0.24 -0.04 0.00 -0.00 0.00 0.00 29.99 30.73 1s82 n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1s82 s ASN 72 N -5.55 6.25 0.00 0.26 3.84 -1.26 -2.08 114.94 116.40 1s82 s ASN 72 Ca 0.00 -0.72 0.15 0.00 0.21 0.00 0.00 52.86 52.50 1s82 s ASN 72 Cb 0.00 -2.40 0.69 0.00 -0.55 0.00 0.00 41.25 38.98 1s82 s ASN 72 CO 0.00 -1.26 1.47 2.30 -2.79 0.00 0.00 177.10 176.81 1s82 n ILE 73 N 5.98 0.84 0.87 -5.21 -5.35 -0.58 -2.77 119.36 113.13 1s82 n ILE 73 Ca -0.02 0.21 0.10 0.00 -0.27 0.00 0.00 62.75 62.77 1s82 n ILE 73 Cb 0.46 -0.95 0.05 0.00 -1.74 0.00 0.00 39.64 37.46 1s82 n ILE 73 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1s82 n ASP 74 N -1.43 2.33 -3.83 7.28 8.00 -1.26 -4.94 116.55 122.69 1s82 n ASP 74 Ca 0.05 -1.66 -0.14 0.00 0.71 0.00 0.00 54.79 53.74 1s82 n ASP 74 Cb 0.16 0.22 -0.15 0.00 -0.02 0.00 0.00 41.12 41.33 1s82 n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s82 s VAL 75 N -1.95 0.02 -0.46 2.53 1.01 -1.12 -5.11 120.40 115.32 1s82 s VAL 75 Ca 0.21 0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.99 1s82 s VAL 75 Cb 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.46 1s82 s VAL 75 CO 0.37 0.06 1.52 -0.76 0.00 0.00 0.00 175.10 176.29 1s82 s LEU 76 N 0.56 3.49 0.00 3.92 1.43 -1.26 -4.66 118.68 122.16 1s82 s LEU 76 Ca -0.05 0.70 0.21 0.00 -1.03 0.00 0.00 54.13 53.96 1s82 s LEU 76 Cb -0.07 -3.30 -0.16 0.00 0.03 0.00 0.00 46.19 42.69 1s82 s LEU 76 CO -0.01 -1.65 0.93 -0.62 0.23 0.00 0.00 176.35 175.22 1s82 n GLU 77 N 8.42 0.53 0.00 1.70 1.02 -1.26 -5.00 120.64 126.04 1s82 n GLU 77 Ca 0.17 -0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1s82 n GLU 77 Cb 0.48 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 1s82 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s82 n GLY 78 N 1.46 0.57 0.60 0.62 0.00 -1.26 -4.95 105.19 102.23 1s82 n GLY 78 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 1s82 n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s82 n ASN 79 N 0.00 2.22 -4.78 1.61 3.02 -1.26 -5.03 115.26 111.03 1s82 n ASN 79 Ca 0.00 -1.61 -0.36 0.00 -0.03 0.00 0.00 54.58 52.58 1s82 n ASN 79 Cb 0.00 0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 1s82 n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1s82 s GLU 80 N -1.86 3.97 -0.10 3.52 8.01 -1.25 -4.41 118.70 126.58 1s82 s GLU 80 Ca 0.19 1.59 0.00 0.00 0.01 0.00 0.00 54.97 56.77 1s82 s GLU 80 Cb 0.16 -2.44 0.02 0.00 -4.31 0.00 0.00 34.13 27.55 1s82 s GLU 80 CO 0.35 -0.33 -0.10 -0.65 0.01 0.00 0.00 175.26 174.55 1s82 s GLN 81 N -2.65 1.64 -0.28 1.61 -0.21 -0.63 -4.98 119.66 114.16 1s82 s GLN 81 Ca 0.61 -0.33 -0.07 0.00 0.02 0.00 0.00 55.36 55.59 1s82 s GLN 81 Cb -0.24 -1.57 -0.00 0.00 1.00 0.00 0.00 33.01 32.20 1s82 s GLN 81 CO 0.29 -0.17 0.07 -0.06 -2.12 0.00 0.00 175.29 173.30 1s82 s PHE 82 N 1.36 3.11 -0.11 0.91 0.08 -1.26 -0.81 117.98 121.26 1s82 s PHE 82 Ca -0.01 -0.82 -0.02 0.00 0.12 0.00 0.00 56.93 56.20 1s82 s PHE 82 Cb -0.14 -2.24 0.04 0.00 -0.57 0.00 0.00 43.02 40.11 1s82 s PHE 82 CO -0.05 -0.51 0.02 0.42 -0.10 0.00 0.00 175.22 175.00 1s82 s ILE 83 N 1.53 0.34 0.51 0.64 1.01 -0.34 -4.99 121.20 119.90 1s82 s ILE 83 Ca 0.04 -0.05 -0.22 0.00 0.00 0.00 0.00 60.65 60.41 1s82 s ILE 83 Cb -0.16 -0.64 -0.06 0.00 0.01 0.00 0.00 42.46 41.61 1s82 s ILE 83 CO 0.02 0.09 1.27 0.20 0.00 0.00 0.00 174.94 176.52 1s82 s ASN 84 N 1.97 5.66 0.16 3.58 0.01 -1.26 -1.26 114.94 123.80 1s82 s ASN 84 Ca 0.03 2.55 -0.31 0.00 -0.71 0.00 0.00 52.86 54.43 1s82 s ASN 84 Cb -0.14 -2.62 -0.09 0.00 0.41 0.00 0.00 41.25 38.81 1s82 s ASN 84 CO -0.06 -1.29 1.43 0.00 -1.51 0.00 0.00 177.10 175.67 1s82 s ALA 85 N -1.42 3.64 -0.11 0.60 0.00 -0.41 -0.97 121.76 123.09 1s82 s ALA 85 Ca 0.68 1.22 0.11 0.00 0.00 0.00 0.00 51.96 53.97 1s82 s ALA 85 Cb -0.35 -3.55 -0.24 0.00 0.00 0.00 0.00 23.12 18.98 1s82 s ALA 85 CO 0.42 -0.66 0.39 0.00 0.00 0.00 0.00 175.76 175.90 1s82 n ALA 86 N 3.49 1.42 -3.10 0.00 0.00 0.31 -4.73 120.51 117.91 1s82 n ALA 86 Ca 0.10 -0.95 -0.13 0.00 0.00 0.00 0.00 53.44 52.47 1s82 n ALA 86 Cb 0.41 -0.58 -0.14 0.00 0.00 0.00 0.00 19.45 19.14 1s82 n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1s82 s LYS 87 N -2.56 0.05 -0.19 0.00 1.02 -1.08 -4.99 119.74 111.99 1s82 s LYS 87 Ca -0.10 0.11 -0.02 0.00 0.02 0.00 0.00 55.97 55.98 1s82 s LYS 87 Cb 0.07 -0.02 0.06 0.00 -0.52 0.00 0.00 37.83 37.42 1s82 s LYS 87 CO 0.81 -0.04 0.02 0.42 -0.92 0.00 0.00 175.35 175.64 1s82 s ILE 88 N 0.25 0.65 -0.27 2.17 1.01 -1.26 -0.44 121.20 123.31 1s82 s ILE 88 Ca -0.02 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.04 1s82 s ILE 88 Cb -0.03 -1.11 0.07 0.00 0.01 0.00 0.00 42.46 41.40 1s82 s ILE 88 CO -0.01 -0.17 -0.05 -0.63 0.00 0.00 0.00 174.94 174.08 1s82 s ILE 89 N 1.80 1.96 0.46 2.92 1.01 -0.12 -4.99 121.20 124.24 1s82 s ILE 89 Ca -0.01 -1.67 -0.20 0.00 0.00 0.00 0.00 60.65 58.76 1s82 s ILE 89 Cb -0.17 -2.21 -0.10 0.00 0.01 0.00 0.00 42.46 39.99 1s82 s ILE 89 CO -0.08 -0.20 0.98 0.42 0.00 0.00 0.00 174.94 176.06 1s82 s THR 90 N 1.16 4.20 0.24 2.92 -4.23 -1.26 -0.94 115.64 117.74 1s82 s THR 90 Ca -0.03 1.34 -0.31 0.00 -1.18 0.00 0.00 61.69 61.51 1s82 s THR 90 Cb -0.19 -3.56 -0.12 0.00 1.34 0.00 0.00 72.50 69.96 1s82 s THR 90 CO -0.07 -0.33 1.57 1.57 -0.54 0.00 0.00 174.62 176.83 1s82 n HIS 91 N -0.83 2.58 0.31 3.99 -0.00 -0.50 -4.86 115.22 115.91 1s82 n HIS 91 Ca 0.08 0.26 0.19 0.00 0.46 0.00 0.00 57.72 58.70 1s82 n HIS 91 Cb 0.54 -2.57 0.98 0.00 -0.12 0.00 0.00 29.99 28.82 1s82 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1s82 h PRO 92 N 5.19 0.00 -0.52 1.57 0.13 -1.93 -1.58 132.00 134.86 1s82 h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1s82 h PRO 92 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1s82 h PRO 92 CO 0.83 0.03 0.00 0.09 -0.23 0.00 0.00 178.00 178.72 1s82 n ASN 93 N -3.31 3.90 -4.68 1.44 5.03 -1.26 -4.98 115.26 111.40 1s82 n ASN 93 Ca -0.02 -2.29 -0.46 0.00 0.87 0.00 0.00 54.58 52.68 1s82 n ASN 93 Cb 0.15 -0.45 -0.04 0.00 -1.02 0.00 0.00 39.78 38.42 1s82 n ASN 93 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1s82 n PHE 94 N 0.82 2.40 -3.55 3.10 7.35 -0.60 -4.65 117.46 122.34 1s82 n PHE 94 Ca 0.20 -0.01 -0.41 0.00 -0.76 0.00 0.00 57.45 56.47 1s82 n PHE 94 Cb 0.69 -2.67 -0.11 0.00 0.35 0.00 0.00 39.48 37.74 1s82 n PHE 94 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1s82 s ASN 95 N 3.03 5.85 0.51 -2.13 3.84 -0.60 -4.98 114.94 120.46 1s82 s ASN 95 Ca 0.86 -0.97 0.34 0.00 0.21 0.00 0.00 52.86 53.30 1s82 s ASN 95 Cb -0.61 -2.07 1.72 0.00 -0.55 0.00 0.00 41.25 39.74 1s82 s ASN 95 CO 0.44 -0.41 2.03 1.23 -2.79 0.00 0.00 177.10 177.61 1s82 h GLY 96 N 8.50 0.00 0.00 1.21 0.00 -1.93 -0.20 103.07 110.66 1s82 h GLY 96 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1s82 h GLY 96 CO 0.69 0.00 -0.34 -0.57 0.00 0.00 0.00 176.54 176.32 1s82 h ASN 97 N 0.00 0.00 1.42 0.19 -1.24 -1.97 -3.40 115.58 110.58 1s82 h ASN 97 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1s82 h ASN 97 Cb 0.16 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.21 1s82 h ASN 97 CO 0.00 0.52 0.00 0.71 -1.29 0.00 0.00 177.43 177.37 1s82 h THR 98 N -0.69 0.00 -1.45 -3.57 1.35 -2.00 -3.47 112.91 103.08 1s82 h THR 98 Ca 0.00 -0.55 -0.42 0.00 -0.55 0.00 0.00 66.41 64.90 1s82 h THR 98 Cb 0.34 1.50 -0.13 0.00 -1.73 0.00 0.00 68.15 68.13 1s82 h THR 98 CO 0.00 0.00 -0.41 0.18 -0.25 0.00 0.00 175.52 175.04 1s82 n LEU 99 N -2.50 -1.60 -4.77 3.87 4.77 -0.09 -5.01 117.00 111.68 1s82 n LEU 99 Ca 0.04 0.38 -0.41 0.00 -0.03 0.00 0.00 56.01 55.99 1s82 n LEU 99 Cb 0.41 -2.83 0.00 0.00 -2.33 0.00 0.00 43.42 38.67 1s82 n LEU 99 CO 0.29 -0.86 1.10 -0.62 -1.33 0.00 0.00 177.39 175.97 1s82 s ASP 100 N -2.61 6.21 -1.26 -1.43 2.15 -1.24 -2.86 116.67 115.64 1s82 s ASP 100 Ca 0.00 2.97 -0.03 0.00 0.43 0.00 0.00 52.55 55.93 1s82 s ASP 100 Cb 0.00 -2.66 0.01 0.00 -0.30 0.00 0.00 42.92 39.96 1s82 s ASP 100 CO 0.00 -0.95 1.02 0.59 -0.17 0.00 0.00 175.17 175.66 1s82 n ASN 101 N 0.25 -3.15 -4.11 -0.34 3.02 -1.26 -1.56 115.26 108.11 1s82 n ASN 101 Ca 0.02 -0.62 -0.42 0.00 -0.03 0.00 0.00 54.58 53.53 1s82 n ASN 101 Cb 0.40 -4.99 0.00 0.00 -0.61 0.00 0.00 39.78 34.59 1s82 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1s82 n ASP 102 N -3.09 4.41 -3.80 6.41 2.03 -1.13 -4.22 116.55 117.16 1s82 n ASP 102 Ca -0.21 -2.89 -0.12 0.00 0.52 0.00 0.00 54.79 52.09 1s82 n ASP 102 Cb 0.64 -1.69 -0.11 0.00 -0.72 0.00 0.00 41.12 39.24 1s82 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1s82 s ILE 103 N 3.46 0.02 0.07 5.18 2.07 -1.26 -3.79 121.20 126.95 1s82 s ILE 103 Ca 0.49 -0.19 -0.07 0.00 -1.41 0.00 0.00 60.65 59.47 1s82 s ILE 103 Cb 0.09 -0.38 -0.01 0.00 0.13 0.00 0.00 42.46 42.29 1s82 s ILE 103 CO -0.01 -0.10 0.15 0.00 -1.91 0.00 0.00 174.94 173.06 1s82 s MET 104 N -0.33 0.74 -0.04 3.50 0.23 -0.23 -1.40 119.30 121.76 1s82 s MET 104 Ca -0.04 -0.89 0.07 0.00 -1.03 0.00 0.00 55.69 53.79 1s82 s MET 104 Cb -0.03 0.30 -0.02 0.00 -1.53 0.00 0.00 34.83 33.54 1s82 s MET 104 CO 0.01 -0.21 -0.23 -0.51 -2.03 0.00 0.00 175.02 172.04 1s82 s LEU 105 N -2.59 2.19 -0.19 0.18 1.43 -0.12 -1.31 118.68 118.27 1s82 s LEU 105 Ca 0.02 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1s82 s LEU 105 Cb 0.03 -1.39 0.03 0.00 0.03 0.00 0.00 46.19 44.89 1s82 s LEU 105 CO -0.08 0.30 -0.18 -0.63 0.23 0.00 0.00 176.35 175.98 1s82 s ILE 106 N -0.50 2.08 -0.12 -0.59 1.01 0.15 -0.94 121.20 122.30 1s82 s ILE 106 Ca 0.07 -1.06 -0.22 0.00 0.00 0.00 0.00 60.65 59.44 1s82 s ILE 106 Cb -0.11 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 1s82 s ILE 106 CO 0.01 0.44 0.65 -0.75 0.00 0.00 0.00 174.94 175.29 1s82 s LYS 107 N 1.26 4.35 0.34 2.79 2.20 0.42 -1.14 119.74 129.96 1s82 s LYS 107 Ca 0.03 0.74 -0.26 0.00 -0.36 0.00 0.00 55.97 56.12 1s82 s LYS 107 Cb -0.14 -3.49 -0.09 0.00 -1.51 0.00 0.00 37.83 32.60 1s82 s LYS 107 CO -0.12 -0.02 1.04 -0.51 -0.36 0.00 0.00 175.35 175.39 1s82 s LEU 108 N 1.13 4.32 0.52 5.43 1.43 -0.15 -0.53 118.68 130.83 1s82 s LEU 108 Ca 0.33 2.08 0.28 0.00 -1.03 0.00 0.00 54.13 55.79 1s82 s LEU 108 Cb -0.17 -3.96 1.42 0.00 0.03 0.00 0.00 46.19 43.52 1s82 s LEU 108 CO 0.14 -0.29 2.05 0.77 0.23 0.00 0.00 176.35 179.25 1s82 h SER 109 N 3.08 0.00 -5.20 2.29 4.64 -1.34 -3.42 113.55 113.61 1s82 h SER 109 Ca -0.47 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.72 1s82 h SER 109 Cb 1.21 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.14 1s82 h SER 109 CO 0.64 0.12 -0.68 -0.94 -0.87 0.00 0.00 176.83 175.11 1s82 s SER 110 N -6.06 0.44 0.30 4.97 1.04 -1.26 -4.99 113.70 108.13 1s82 s SER 110 Ca -0.02 -0.91 -0.29 0.00 0.48 0.00 0.00 55.95 55.20 1s82 s SER 110 Cb 0.12 0.19 -0.10 0.00 0.10 0.00 0.00 66.02 66.33 1s82 s SER 110 CO 0.58 -0.55 1.31 -2.84 0.98 0.00 0.00 173.24 172.71 1s82 s PRO 111 N -3.53 4.37 0.30 4.02 0.02 -1.26 -4.88 135.00 134.04 1s82 s PRO 111 Ca 0.03 2.17 -0.29 0.00 0.02 0.00 0.00 61.00 62.93 1s82 s PRO 111 Cb 0.05 -3.11 -0.10 0.00 0.02 0.00 0.00 34.50 31.36 1s82 s PRO 111 CO -0.09 -0.20 1.36 0.00 -0.33 0.00 0.00 177.00 177.75 1s82 s ALA 112 N -0.79 3.55 0.00 -1.55 0.00 -0.12 -4.99 121.76 117.85 1s82 s ALA 112 Ca 0.51 1.29 -0.30 0.00 0.00 0.00 0.00 51.96 53.47 1s82 s ALA 112 Cb -0.39 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.19 1s82 s ALA 112 CO 0.48 -0.70 0.97 -0.08 0.00 0.00 0.00 175.76 176.44 1s82 s THR 113 N -0.68 4.86 -0.22 0.00 -1.32 -1.26 -4.84 115.64 112.18 1s82 s THR 113 Ca 0.53 2.05 -0.17 0.00 -1.21 0.00 0.00 61.69 62.88 1s82 s THR 113 Cb -0.41 -4.31 -0.03 0.00 -1.51 0.00 0.00 72.50 66.24 1s82 s THR 113 CO 0.49 0.17 0.48 -0.76 -2.21 0.00 0.00 174.62 172.79 1s82 s LEU 114 N 0.97 4.12 0.00 9.08 1.43 -1.26 -4.75 118.68 128.26 1s82 s LEU 114 Ca 0.51 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 54.19 1s82 s LEU 114 Cb -0.21 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.38 1s82 s LEU 114 CO 0.28 -0.18 0.00 -0.46 0.23 0.00 0.00 176.35 176.22 1s82 n ASN 115 N 4.92 0.00 0.23 2.29 0.23 -0.02 -4.98 115.26 117.92 1s82 n ASN 115 Ca -0.06 -0.76 0.06 0.00 -0.53 0.00 0.00 54.58 53.30 1s82 n ASN 115 Cb 0.50 0.00 0.53 0.00 -2.08 0.00 0.00 39.78 38.73 1s82 n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1s82 h SER 116 N 0.00 0.00 0.43 0.53 4.64 -1.99 -3.11 113.55 114.06 1s82 h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s82 h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1s82 h SER 116 CO 0.00 0.17 -0.86 0.54 -0.87 0.00 0.00 176.83 175.80 1s82 n ARG 117 N -4.30 0.18 -3.63 4.77 5.12 -1.26 -4.76 116.66 112.78 1s82 n ARG 117 Ca -0.02 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.63 1s82 n ARG 117 Cb 0.23 -1.57 -0.17 0.00 -1.16 0.00 0.00 32.46 29.80 1s82 n ARG 117 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1s82 s VAL 118 N -3.12 0.03 0.03 1.55 1.01 -1.17 -4.14 120.40 114.59 1s82 s VAL 118 Ca 0.06 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 1s82 s VAL 118 Cb 0.15 -0.70 -0.00 0.00 0.00 0.00 0.00 36.38 35.83 1s82 s VAL 118 CO 0.78 -0.32 0.14 0.00 0.00 0.00 0.00 175.10 175.70 1s82 s ALA 119 N 2.08 -0.21 0.61 5.51 0.00 -0.94 -0.84 121.76 127.96 1s82 s ALA 119 Ca 0.02 -0.39 -0.12 0.00 0.00 0.00 0.00 51.96 51.48 1s82 s ALA 119 Cb -0.16 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 1s82 s ALA 119 CO -0.12 -0.31 1.02 0.95 0.00 0.00 0.00 175.76 177.31 1s82 s THR 120 N -2.36 4.62 -0.02 0.00 -4.23 -1.26 -2.85 115.64 109.54 1s82 s THR 120 Ca -0.07 0.93 0.08 0.00 -1.18 0.00 0.00 61.69 61.44 1s82 s THR 120 Cb -0.02 -3.81 -0.02 0.00 1.34 0.00 0.00 72.50 69.99 1s82 s THR 120 CO -0.03 -1.04 -0.26 0.54 -0.54 0.00 0.00 174.62 173.29 1s82 s VAL 121 N -3.06 2.05 0.40 2.29 0.11 -0.39 -4.86 120.40 116.94 1s82 s VAL 121 Ca 0.56 -1.10 -0.27 0.00 -2.93 0.00 0.00 61.98 58.24 1s82 s VAL 121 Cb -0.11 -1.70 -0.09 0.00 -1.53 0.00 0.00 36.38 32.95 1s82 s VAL 121 CO 0.50 0.58 1.34 -0.44 -3.33 0.00 0.00 175.10 173.74 1s82 s SER 122 N -0.55 6.33 0.71 3.54 0.01 -1.24 -4.53 113.70 117.97 1s82 s SER 122 Ca 0.08 2.73 -0.12 0.00 1.31 0.00 0.00 55.95 59.95 1s82 s SER 122 Cb -0.10 -2.64 0.02 0.00 0.21 0.00 0.00 66.02 63.50 1s82 s SER 122 CO -0.00 -0.85 1.08 -0.76 0.41 0.00 0.00 173.24 173.12 1s82 s LEU 123 N -2.34 3.16 0.31 2.44 1.43 -1.26 -1.21 118.68 121.21 1s82 s LEU 123 Ca 0.56 1.77 -0.27 0.00 -1.03 0.00 0.00 54.13 55.15 1s82 s LEU 123 Cb -0.40 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.21 1s82 s LEU 123 CO 0.52 -1.67 1.01 -2.16 0.23 0.00 0.00 176.35 174.28 1s82 s PRO 124 N -4.77 4.56 0.21 1.29 0.04 -1.26 -4.74 135.00 130.33 1s82 s PRO 124 Ca 0.61 1.55 -0.05 0.00 0.04 0.00 0.00 61.00 63.15 1s82 s PRO 124 Cb -0.16 -2.96 0.19 0.00 0.04 0.00 0.00 34.50 31.61 1s82 s PRO 124 CO 0.52 0.21 1.64 -0.09 0.04 0.00 0.00 177.00 179.32 1s82 h ARG 125 N 3.41 0.80 -3.47 4.56 2.43 -1.97 -3.48 114.38 116.67 1s82 h ARG 125 Ca -0.47 -0.31 -0.03 0.00 -0.81 0.00 0.00 59.98 58.36 1s82 h ARG 125 Cb 1.20 -0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 30.62 1s82 h ARG 125 CO 0.66 0.93 -0.04 0.45 -1.51 0.00 0.00 179.97 180.45 1s82 s SER 127 N -6.73 -0.16 0.48 -3.80 0.15 -1.26 -5.16 113.70 97.23 1s82 s SER 127 Ca -0.10 -0.74 -0.21 0.00 0.70 0.00 0.00 55.95 55.61 1s82 s SER 127 Cb 0.13 0.59 -0.08 0.00 -1.71 0.00 0.00 66.02 64.96 1s82 s SER 127 CO 0.84 -1.12 1.08 0.00 1.20 0.00 0.00 173.24 175.24 1s82 s ALA 129 N -1.81 3.37 0.63 0.00 0.00 -1.26 -5.03 121.76 117.66 1s82 s ALA 129 Ca 0.67 0.82 -0.18 0.00 0.00 0.00 0.00 51.96 53.26 1s82 s ALA 129 Cb -0.21 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 1s82 s ALA 129 CO 0.25 -0.21 1.23 0.00 0.00 0.00 0.00 175.76 177.02 1s82 s ALA 130 N -0.22 2.44 0.29 0.00 0.00 -1.26 -4.96 121.76 118.05 1s82 s ALA 130 Ca 0.49 1.04 -0.30 0.00 0.00 0.00 0.00 51.96 53.20 1s82 s ALA 130 Cb -0.29 -3.48 -0.12 0.00 0.00 0.00 0.00 23.12 19.22 1s82 s ALA 130 CO 0.35 -1.39 1.46 0.00 0.00 0.00 0.00 175.76 176.19 1s82 n ALA 132 N -1.85 1.81 -0.27 0.00 0.00 -1.26 -1.98 120.51 116.96 1s82 n ALA 132 Ca 0.14 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1s82 n ALA 132 Cb 0.49 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1s82 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s82 n GLY 133 N 1.71 1.38 3.70 0.00 0.00 0.48 -4.97 105.19 107.49 1s82 n GLY 133 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1s82 n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s82 n THR 134 N -2.00 0.08 -2.63 2.61 -1.04 -0.84 -4.66 114.28 105.81 1s82 n THR 134 Ca 0.00 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.59 1s82 n THR 134 Cb 0.00 -1.88 -0.04 0.00 -1.82 0.00 0.00 70.33 66.59 1s82 n THR 134 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1s82 s GLU 135 N 1.46 4.65 0.27 -2.82 0.41 -1.26 -1.38 118.70 120.03 1s82 s GLU 135 Ca 0.78 1.58 0.04 0.00 -0.41 0.00 0.00 54.97 56.96 1s82 s GLU 135 Cb -0.56 -3.33 -0.06 0.00 -1.78 0.00 0.00 34.13 28.41 1s82 s GLU 135 CO 0.35 0.16 0.00 0.00 -0.49 0.00 0.00 175.26 175.28 1s82 s LEU 137 N -3.39 2.05 -0.11 0.00 2.96 0.45 -1.28 118.68 119.37 1s82 s LEU 137 Ca 0.31 -0.62 -0.03 0.00 -0.22 0.00 0.00 54.13 53.57 1s82 s LEU 137 Cb 0.06 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 45.29 1s82 s LEU 137 CO 0.11 -0.01 0.01 -0.63 -1.32 0.00 0.00 176.35 174.51 1s82 s ILE 138 N 1.32 4.35 0.07 6.68 1.01 -0.24 -1.34 121.20 133.06 1s82 s ILE 138 Ca 0.05 -0.22 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 1s82 s ILE 138 Cb -0.13 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 1s82 s ILE 138 CO -0.13 0.58 0.11 -0.94 0.00 0.00 0.00 174.94 174.56 1s82 s SER 139 N -0.61 0.23 0.00 3.58 1.04 -1.19 -0.98 113.70 115.78 1s82 s SER 139 Ca 0.10 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1s82 s SER 139 Cb -0.12 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1s82 s SER 139 CO 0.02 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.21 1s82 n GLY 140 N 0.19 -0.40 1.74 7.32 0.00 -0.74 -4.28 105.19 109.02 1s82 n GLY 140 Ca -0.16 -1.20 -0.01 0.00 0.00 0.00 0.00 46.02 44.65 1s82 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1s82 n TRP 141 N -0.73 2.05 -1.46 1.61 8.01 -1.26 -2.01 117.44 123.64 1s82 n TRP 141 Ca 0.00 -1.11 -0.27 0.00 -1.31 0.00 0.00 57.50 54.81 1s82 n TRP 141 Cb 0.00 -0.59 0.21 0.00 -2.01 0.00 0.00 31.31 28.92 1s82 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1s82 n GLY 142 N -0.17 -2.05 3.69 6.99 0.00 -1.25 -4.29 105.19 108.12 1s82 n GLY 142 Ca 0.35 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 1s82 n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1s82 n ASN 143 N -4.19 2.89 -0.43 1.61 5.15 0.22 -3.21 115.26 117.29 1s82 n ASN 143 Ca 0.15 1.17 0.08 0.00 -0.60 0.00 0.00 54.58 55.38 1s82 n ASN 143 Cb 0.53 -1.47 0.01 0.00 -0.53 0.00 0.00 39.78 38.32 1s82 n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1s82 n THR 144 N 1.29 0.00 -4.19 -0.44 -2.24 -0.39 -0.70 114.28 107.61 1s82 n THR 144 Ca 0.08 -0.35 -0.34 0.00 -2.27 0.00 0.00 64.05 61.17 1s82 n THR 144 Cb 0.34 1.22 -0.11 0.00 -2.10 0.00 0.00 70.33 69.69 1s82 n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1s82 s LYS 145 N -1.91 3.79 0.16 -0.78 3.01 -1.26 -4.41 119.74 118.33 1s82 s LYS 145 Ca 0.15 -0.42 0.26 0.00 -1.01 0.00 0.00 55.97 54.95 1s82 s LYS 145 Cb 0.14 -3.06 0.75 0.00 -1.01 0.00 0.00 37.83 34.64 1s82 s LYS 145 CO 0.40 0.30 1.68 -1.13 0.51 0.00 0.00 175.35 177.11 1s82 n SER 146 N 3.42 0.69 -0.02 2.83 3.41 -1.26 -4.49 113.62 118.20 1s82 n SER 146 Ca -0.17 0.44 -0.01 0.00 -0.26 0.00 0.00 58.87 58.87 1s82 n SER 146 Cb 0.52 -0.52 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1s82 n SER 146 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1s82 n SER 147 N -2.12 0.54 0.00 4.04 2.88 -1.26 -5.00 113.62 112.70 1s82 n SER 147 Ca 0.05 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1s82 n SER 147 Cb 0.42 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 1s82 n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s82 n GLY 148 N 1.71 1.71 2.87 0.46 0.00 -1.26 -5.16 105.19 105.51 1s82 n GLY 148 Ca -0.02 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 1s82 n GLY 148 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s82 s SER 149 N 0.05 -0.01 -0.08 1.61 1.04 -1.26 -4.68 113.70 110.37 1s82 s SER 149 Ca 0.00 0.09 -0.03 0.00 0.48 0.00 0.00 55.95 56.49 1s82 s SER 149 Cb 0.00 0.04 0.04 0.00 0.10 0.00 0.00 66.02 66.21 1s82 s SER 149 CO 0.00 -0.07 0.17 -0.55 0.98 0.00 0.00 173.24 173.77 1s82 s SER 150 N 0.50 0.15 -0.24 7.02 0.15 -1.26 -4.96 113.70 115.07 1s82 s SER 150 Ca -0.04 0.35 -0.08 0.00 0.70 0.00 0.00 55.95 56.88 1s82 s SER 150 Cb -0.06 0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 64.49 1s82 s SER 150 CO -0.02 -0.18 0.09 -0.31 1.20 0.00 0.00 173.24 174.02 1s82 s TYR 151 N 1.59 3.14 0.50 3.44 1.51 -1.26 -1.26 117.35 125.01 1s82 s TYR 151 Ca -0.05 -0.22 -0.17 0.00 -1.01 0.00 0.00 57.07 55.62 1s82 s TYR 151 Cb -0.12 -2.23 -0.08 0.00 -0.11 0.00 0.00 41.96 39.43 1s82 s TYR 151 CO -0.06 -0.21 0.97 -1.25 -1.11 0.00 0.00 175.55 173.88 1s82 s PRO 152 N 1.36 3.96 0.08 -1.71 0.04 -1.26 -4.98 135.00 132.49 1s82 s PRO 152 Ca 0.05 0.94 -0.07 0.00 0.04 0.00 0.00 61.00 61.96 1s82 s PRO 152 Cb -0.15 -2.16 -0.24 0.00 0.04 0.00 0.00 34.50 32.00 1s82 s PRO 152 CO 0.04 -0.23 1.17 0.77 0.04 0.00 0.00 177.00 178.79 1s82 h SER 153 N 1.03 0.55 -2.76 6.66 0.02 -1.94 -3.47 113.55 113.64 1s82 h SER 153 Ca -0.47 -0.54 -0.65 0.00 -0.84 0.00 0.00 61.79 59.30 1s82 h SER 153 Cb 1.18 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 63.49 1s82 h SER 153 CO 0.62 1.39 -0.44 -0.76 -1.14 0.00 0.00 176.83 176.49 1s82 s LEU 154 N -7.44 4.39 0.13 5.07 1.43 -1.26 -1.53 118.68 119.47 1s82 s LEU 154 Ca -0.06 0.50 -0.31 0.00 -1.03 0.00 0.00 54.13 53.23 1s82 s LEU 154 Cb 0.07 -2.37 -0.10 0.00 0.03 0.00 0.00 46.19 43.82 1s82 s LEU 154 CO 0.89 0.33 1.77 -0.22 0.23 0.00 0.00 176.35 179.35 1s82 s LEU 155 N -1.41 4.39 0.14 1.79 2.96 -0.88 -4.85 118.68 120.81 1s82 s LEU 155 Ca 0.21 2.72 -0.02 0.00 -0.22 0.00 0.00 54.13 56.83 1s82 s LEU 155 Cb -0.13 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 1s82 s LEU 155 CO 0.11 -0.97 0.32 -1.10 -1.32 0.00 0.00 176.35 173.39 1s82 s GLN 156 N 2.38 3.52 0.09 1.98 -1.52 -0.85 -1.06 119.66 124.19 1s82 s GLN 156 Ca 0.78 -0.31 0.05 0.00 -1.95 0.00 0.00 55.36 53.93 1s82 s GLN 156 Cb -0.45 -2.91 -0.03 0.00 -0.22 0.00 0.00 33.01 29.39 1s82 s GLN 156 CO 0.35 0.50 -0.14 0.00 -0.25 0.00 0.00 175.29 175.75 1s82 s LEU 158 N -2.02 -0.18 0.01 0.00 2.96 -0.15 -1.10 118.68 118.20 1s82 s LEU 158 Ca 0.02 0.80 -0.28 0.00 -0.22 0.00 0.00 54.13 54.45 1s82 s LEU 158 Cb -0.08 1.12 -0.04 0.00 0.50 0.00 0.00 46.19 47.69 1s82 s LEU 158 CO 0.02 -0.21 0.88 -0.54 -1.32 0.00 0.00 176.35 175.18 1s82 s LYS 159 N 1.88 4.55 -0.16 1.98 -0.14 -1.26 -1.07 119.74 125.51 1s82 s LYS 159 Ca -0.06 1.24 -0.24 0.00 -1.36 0.00 0.00 55.97 55.55 1s82 s LYS 159 Cb -0.10 -3.43 0.06 0.00 -1.68 0.00 0.00 37.83 32.68 1s82 s LYS 159 CO -0.11 0.08 0.62 0.00 -0.76 0.00 0.00 175.35 175.18 1s82 s ALA 160 N 0.60 -1.57 0.28 5.17 0.00 -0.40 -4.99 121.76 120.84 1s82 s ALA 160 Ca 0.45 1.53 -0.09 0.00 0.00 0.00 0.00 51.96 53.85 1s82 s ALA 160 Cb -0.21 -0.63 -0.07 0.00 0.00 0.00 0.00 23.12 22.22 1s82 s ALA 160 CO 0.25 -0.32 0.60 -1.25 0.00 0.00 0.00 175.76 175.04 1s82 s PRO 161 N -0.28 3.79 0.21 0.00 0.04 -1.26 -0.89 135.00 136.61 1s82 s PRO 161 Ca -0.05 0.29 -0.31 0.00 0.04 0.00 0.00 61.00 60.97 1s82 s PRO 161 Cb -0.03 -2.59 -0.10 0.00 0.04 0.00 0.00 34.50 31.82 1s82 s PRO 161 CO 0.04 0.23 1.53 0.08 0.04 0.00 0.00 177.00 178.93 1s82 s VAL 162 N -1.96 2.54 0.22 -0.36 1.01 -0.48 -1.78 120.40 119.59 1s82 s VAL 162 Ca 0.48 0.42 -0.10 0.00 0.00 0.00 0.00 61.98 62.78 1s82 s VAL 162 Cb -0.11 -3.27 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 1s82 s VAL 162 CO 0.24 0.05 0.54 -0.76 0.00 0.00 0.00 175.10 175.17 1s82 s LEU 163 N 0.45 4.18 0.64 3.92 1.43 -0.15 -0.39 118.68 128.75 1s82 s LEU 163 Ca 0.66 0.92 -0.18 0.00 -1.03 0.00 0.00 54.13 54.50 1s82 s LEU 163 Cb -0.44 -3.66 -0.02 0.00 0.03 0.00 0.00 46.19 42.11 1s82 s LEU 163 CO 0.37 -0.06 1.20 -1.54 0.23 0.00 0.00 176.35 176.55 1s82 n SER 164 N -0.09 1.71 0.21 2.29 3.41 -1.26 -4.58 113.62 115.30 1s82 n SER 164 Ca 0.00 0.82 0.04 0.00 -0.26 0.00 0.00 58.87 59.48 1s82 n SER 164 Cb 0.52 -1.51 0.44 0.00 -0.26 0.00 0.00 64.21 63.40 1s82 n SER 164 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1s82 h ASP 165 N 0.53 0.00 0.12 4.04 3.04 -1.97 -1.64 116.42 120.53 1s82 h ASP 165 Ca -0.50 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.28 1s82 h ASP 165 Cb 1.35 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.64 1s82 h ASP 165 CO 0.52 0.28 -0.06 0.77 -2.04 0.00 0.00 179.24 178.72 1s82 h SER 166 N 0.00 -0.14 -0.35 4.15 4.64 -1.99 -0.93 113.55 118.94 1s82 h SER 166 Ca -0.00 -0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 1s82 h SER 166 Cb 0.51 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 1s82 h SER 166 CO 0.04 0.18 0.18 0.28 -0.87 0.00 0.00 176.83 176.63 1s82 h SER 167 N -0.46 0.48 -0.22 4.97 0.02 -1.88 0.44 113.55 116.89 1s82 h SER 167 Ca -0.02 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 1s82 h SER 167 Cb 0.37 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1s82 h SER 167 CO 0.03 0.41 0.01 0.00 -1.14 0.00 0.00 176.83 176.14 1s82 h LYS 169 N 0.17 0.26 -0.01 0.00 1.57 -0.79 -2.61 116.57 115.16 1s82 h LYS 169 Ca 0.06 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 1s82 h LYS 169 Cb 0.39 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1s82 h LYS 169 CO 0.01 0.61 -0.59 0.66 -0.57 0.00 0.00 179.45 179.57 1s82 h SER 170 N 0.22 0.02 0.61 0.86 4.64 -0.82 -2.58 113.55 116.51 1s82 h SER 170 Ca 0.02 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.21 1s82 h SER 170 Cb 0.78 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.84 1s82 h SER 170 CO 0.06 0.60 -0.58 0.28 -0.87 0.00 0.00 176.83 176.33 1s82 h SER 171 N 0.01 0.00 -2.02 4.97 0.02 -1.15 -3.38 113.55 112.00 1s82 h SER 171 Ca -0.01 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.38 1s82 h SER 171 Cb 1.04 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.19 1s82 h SER 171 CO 0.08 0.58 -1.08 -1.22 -1.14 0.00 0.00 176.83 174.05 1s82 n TYR 172 N -3.81 -0.14 -1.66 3.45 4.02 -1.01 -4.84 117.16 113.17 1s82 n TYR 172 Ca -0.01 -3.59 -0.50 0.00 -0.01 0.00 0.00 57.90 53.79 1s82 n TYR 172 Cb 0.59 -0.35 -0.05 0.00 -0.02 0.00 0.00 39.34 39.51 1s82 n TYR 172 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1s82 n PRO 173 N 1.41 1.78 -0.95 -0.72 -0.02 -0.99 -1.82 135.00 133.68 1s82 n PRO 173 Ca 0.22 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1s82 n PRO 173 Cb 0.52 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1s82 n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s82 n GLY 174 N 3.56 0.43 0.00 -1.23 0.00 -1.26 -4.86 105.19 101.82 1s82 n GLY 174 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 1s82 n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s82 n GLN 175 N -1.76 3.44 -3.37 1.61 6.02 -0.75 -4.95 117.38 117.61 1s82 n GLN 175 Ca 0.00 -0.02 -0.43 0.00 -0.01 0.00 0.00 57.00 56.54 1s82 n GLN 175 Cb 0.12 -0.95 -0.09 0.00 1.02 0.00 0.00 30.24 30.34 1s82 n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1s82 s ILE 176 N -1.94 5.15 0.96 5.09 -1.09 -1.25 -5.06 121.20 123.06 1s82 s ILE 176 Ca 0.02 -0.46 -0.16 0.00 -2.23 0.00 0.00 60.65 57.82 1s82 s ILE 176 Cb 0.06 -3.99 0.19 0.00 -1.58 0.00 0.00 42.46 37.14 1s82 s ILE 176 CO 0.33 -0.37 1.30 0.42 -1.23 0.00 0.00 174.94 175.39 1s82 s THR 177 N 1.96 1.98 -0.80 2.92 -4.23 -1.26 -4.96 115.64 111.26 1s82 s THR 177 Ca 0.09 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.77 1s82 s THR 177 Cb -0.18 -2.98 0.16 0.00 1.34 0.00 0.00 72.50 70.84 1s82 s THR 177 CO 0.12 0.00 1.53 0.61 -0.54 0.00 0.00 174.62 176.34 1s82 n GLY 178 N -3.60 -1.06 1.53 3.99 0.00 -1.26 -2.73 105.19 102.05 1s82 n GLY 178 Ca 0.14 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.26 1s82 n GLY 178 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s82 n ASN 179 N -1.77 4.51 -4.07 1.61 3.02 -1.26 -4.92 115.26 112.39 1s82 n ASN 179 Ca 0.03 -2.37 -0.19 0.00 -0.03 0.00 0.00 54.58 52.02 1s82 n ASN 179 Cb 0.18 -0.56 -0.14 0.00 -0.61 0.00 0.00 39.78 38.65 1s82 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1s82 s MET 180 N -1.72 0.85 0.06 3.52 -1.94 -1.11 -1.19 119.30 117.78 1s82 s MET 180 Ca 0.49 -0.48 0.04 0.00 -1.71 0.00 0.00 55.69 54.03 1s82 s MET 180 Cb 0.31 -0.82 -0.03 0.00 2.01 0.00 0.00 34.83 36.30 1s82 s MET 180 CO 0.25 0.22 -0.12 0.96 -0.01 0.00 0.00 175.02 176.32 1s82 s ILE 181 N -0.44 0.89 -0.10 2.53 -4.36 -0.10 -4.80 121.20 114.82 1s82 s ILE 181 Ca 0.03 -1.21 -0.09 0.00 -0.26 0.00 0.00 60.65 59.11 1s82 s ILE 181 Cb -0.05 -0.89 -0.04 0.00 1.25 0.00 0.00 42.46 42.73 1s82 s ILE 181 CO 0.00 -0.28 0.21 0.00 0.24 0.00 0.00 174.94 175.10 1s82 s VAL 183 N -0.91 0.15 -0.65 0.00 1.01 -0.97 -0.98 120.40 118.05 1s82 s VAL 183 Ca 0.17 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1s82 s VAL 183 Cb -0.13 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.00 1s82 s VAL 183 CO 0.06 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1s82 n GLY 184 N 4.17 0.44 2.66 4.51 0.00 -0.74 -3.54 105.19 112.68 1s82 n GLY 184 Ca -0.26 -1.27 -0.22 0.00 0.00 0.00 0.00 46.02 44.27 1s82 n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s82 s PHE 184 N -4.00 0.08 0.43 1.61 0.40 -1.26 -4.33 117.98 110.92 1s82 s PHE 184 Ca 0.00 0.11 0.24 0.00 -0.60 0.00 0.00 56.93 56.67 1s82 s PHE 184 Cb 0.00 -0.53 1.33 0.00 0.51 0.00 0.00 43.02 44.33 1s82 s PHE 184 CO 0.00 -0.29 2.05 -0.07 0.70 0.00 0.00 175.22 177.61 1s82 h LEU 185 N 8.43 0.00 -0.86 -0.37 3.38 -1.95 -2.57 115.31 121.38 1s82 h LEU 185 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1s82 h LEU 185 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1s82 h LEU 185 CO 0.19 0.14 0.00 1.05 0.09 0.00 0.00 178.44 179.91 1s82 h GLU 186 N 0.00 0.00 0.00 1.13 -0.00 -1.96 0.12 114.58 113.87 1s82 h GLU 186 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1s82 h GLU 186 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.07 1s82 h GLU 186 CO 0.02 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 179.44 1s82 n GLY 187 N -0.14 -0.27 1.89 1.06 0.00 -0.97 -4.48 105.19 102.29 1s82 n GLY 187 Ca 0.02 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1s82 n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s82 n GLY 188 N -0.35 2.65 2.63 -0.02 0.00 -0.10 -4.94 105.19 105.07 1s82 n GLY 188 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1s82 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s82 s LYS 188 N -0.48 0.14 0.11 1.61 1.02 -1.26 -3.56 119.74 117.32 1s82 s LYS 188 Ca 0.00 -0.13 -0.26 0.00 0.02 0.00 0.00 55.97 55.60 1s82 s LYS 188 Cb 0.00 -1.45 0.07 0.00 -0.52 0.00 0.00 37.83 35.93 1s82 s LYS 188 CO 0.00 -0.78 0.86 0.34 -0.92 0.00 0.00 175.35 174.86 1s82 s ASP 189 N 2.19 -0.30 0.55 2.83 -1.08 -0.82 -4.26 116.67 115.77 1s82 s ASP 189 Ca 0.05 -0.24 -0.11 0.00 -0.52 0.00 0.00 52.55 51.74 1s82 s ASP 189 Cb -0.16 0.49 -0.05 0.00 -1.46 0.00 0.00 42.92 41.75 1s82 s ASP 189 CO -0.18 -0.86 0.94 -0.94 0.52 0.00 0.00 175.17 174.65 1s82 s SER 190 N -2.76 6.33 0.30 -0.34 1.04 -1.26 -0.79 113.70 116.23 1s82 s SER 190 Ca 0.08 1.30 0.01 0.00 0.48 0.00 0.00 55.95 57.82 1s82 s SER 190 Cb -0.02 -2.41 -0.00 0.00 0.10 0.00 0.00 66.02 63.69 1s82 s SER 190 CO -0.03 -0.71 0.37 0.00 0.98 0.00 0.00 173.24 173.85 1s82 n GLN 192 N -0.52 1.18 0.00 0.00 -0.06 -1.26 -1.12 117.38 115.60 1s82 n GLN 192 Ca 0.02 0.43 0.00 0.00 -2.00 0.00 0.00 57.00 55.45 1s82 n GLN 192 Cb 0.51 -2.11 0.00 0.00 -4.06 0.00 0.00 30.24 24.58 1s82 n GLN 192 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1s82 n GLY 193 N 3.93 0.63 0.12 1.69 0.00 -1.26 -0.61 105.19 109.69 1s82 n GLY 193 Ca 0.25 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.40 1s82 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s82 h ASP 194 N 0.00 0.00 -3.14 1.61 3.32 -1.43 -3.32 116.42 113.46 1s82 h ASP 194 Ca 0.00 -0.04 -0.58 0.00 0.02 0.00 0.00 57.03 56.43 1s82 h ASP 194 Cb 0.00 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.67 1s82 h ASP 194 CO 0.00 0.02 0.31 -1.20 -1.72 0.00 0.00 179.24 176.65 1s82 n SER 195 N -2.45 1.88 0.00 6.45 7.64 -1.26 -1.68 113.62 124.20 1s82 n SER 195 Ca 0.04 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1s82 n SER 195 Cb 0.46 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 1s82 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s82 n GLY 196 N 1.02 2.67 3.88 0.23 0.00 0.05 -0.87 105.19 112.16 1s82 n GLY 196 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1s82 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s82 s GLY 197 N -1.93 1.72 0.26 -0.02 0.00 -0.67 -3.38 107.32 103.30 1s82 s GLY 197 Ca 0.00 -1.07 -0.21 0.00 0.00 0.00 0.00 44.72 43.44 1s82 s GLY 197 CO 0.00 -0.33 0.79 2.56 0.00 0.00 0.00 173.10 176.12 1s82 s PRO 198 N -5.77 4.33 -0.25 2.90 0.04 -1.26 -1.31 135.00 133.68 1s82 s PRO 198 Ca 0.72 0.99 0.03 0.00 0.04 0.00 0.00 61.00 62.77 1s82 s PRO 198 Cb -0.06 -2.81 0.06 0.00 0.04 0.00 0.00 34.50 31.72 1s82 s PRO 198 CO 0.53 0.34 -0.12 0.08 0.04 0.00 0.00 177.00 177.87 1s82 s VAL 199 N -1.59 2.14 -0.13 -0.36 1.01 -0.16 -3.14 120.40 118.17 1s82 s VAL 199 Ca 0.46 -1.56 0.02 0.00 0.00 0.00 0.00 61.98 60.90 1s82 s VAL 199 Cb -0.17 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 1s82 s VAL 199 CO 0.21 0.02 -0.18 -0.69 0.00 0.00 0.00 175.10 174.46 1s82 s VAL 200 N 1.13 2.49 -0.08 2.92 1.01 -0.45 -1.01 120.40 126.41 1s82 s VAL 200 Ca -0.08 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 1s82 s VAL 200 Cb -0.19 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.20 1s82 s VAL 200 CO -0.06 0.54 -0.04 0.00 0.00 0.00 0.00 175.10 175.54 1s82 n ASN 202 N 4.78 -0.49 -0.46 0.00 3.02 -1.26 -1.73 115.26 119.12 1s82 n ASN 202 Ca -0.13 -1.02 -0.06 0.00 -0.03 0.00 0.00 54.58 53.33 1s82 n ASN 202 Cb 0.50 -2.94 -0.03 0.00 -0.61 0.00 0.00 39.78 36.71 1s82 n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s82 n GLY 203 N -1.98 0.79 3.12 7.41 0.00 -1.26 -5.00 105.19 108.28 1s82 n GLY 203 Ca -0.28 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 1s82 n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s82 s GLN 204 N -2.09 1.50 -0.62 1.61 -0.21 -0.70 -3.70 119.66 115.45 1s82 s GLN 204 Ca 0.00 -0.56 -0.27 0.00 0.02 0.00 0.00 55.36 54.55 1s82 s GLN 204 Cb 0.00 -1.37 0.01 0.00 1.00 0.00 0.00 33.01 32.65 1s82 s GLN 204 CO 0.00 0.27 1.48 -1.17 -2.12 0.00 0.00 175.29 173.75 1s82 s LEU 209 N -0.11 3.31 -0.12 2.90 2.96 -0.35 -1.26 118.68 126.01 1s82 s LEU 209 Ca 0.00 0.10 0.19 0.00 -0.22 0.00 0.00 54.13 54.20 1s82 s LEU 209 Cb -0.09 -2.81 -0.27 0.00 0.50 0.00 0.00 46.19 43.52 1s82 s LEU 209 CO 0.01 -1.89 0.22 0.00 -1.32 0.00 0.00 176.35 173.37 1s82 n GLN 210 N 8.97 0.77 -4.12 1.98 1.13 -0.18 -4.16 117.38 121.76 1s82 n GLN 210 Ca 0.12 -0.08 -0.12 0.00 -1.94 0.00 0.00 57.00 54.98 1s82 n GLN 210 Cb 0.50 -1.49 -0.11 0.00 0.11 0.00 0.00 30.24 29.25 1s82 n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1s82 s GLY 211 N -4.97 0.65 -0.11 1.08 0.00 -0.88 -1.89 107.32 101.20 1s82 s GLY 211 Ca -0.09 -1.10 0.03 0.00 0.00 0.00 0.00 44.72 43.56 1s82 s GLY 211 CO 0.82 -1.19 -0.20 -0.42 0.00 0.00 0.00 173.10 172.11 1s82 s ILE 212 N -2.69 1.82 -0.06 0.90 1.01 -1.06 -0.99 121.20 120.14 1s82 s ILE 212 Ca 0.03 -0.85 -0.34 0.00 0.00 0.00 0.00 60.65 59.49 1s82 s ILE 212 Cb -0.01 -1.61 -0.11 0.00 0.01 0.00 0.00 42.46 40.73 1s82 s ILE 212 CO -0.03 0.50 1.89 0.52 0.00 0.00 0.00 174.94 177.82 1s82 n VAL 213 N 3.94 0.59 0.01 2.92 0.31 -0.42 -1.35 118.33 124.32 1s82 n VAL 213 Ca -0.20 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1s82 n VAL 213 Cb 0.52 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 1s82 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1s82 n SER 214 N 6.66 0.09 -3.50 4.52 2.88 -0.99 -0.77 113.62 122.50 1s82 n SER 214 Ca 0.22 0.02 -0.10 0.00 -1.33 0.00 0.00 58.87 57.69 1s82 n SER 214 Cb 0.31 -0.02 -0.02 0.00 -0.75 0.00 0.00 64.21 63.73 1s82 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1s82 s TRP 215 N -1.10 0.30 0.08 0.66 1.48 -0.74 -4.93 118.94 114.70 1s82 s TRP 215 Ca 0.00 -0.76 -0.27 0.00 -1.06 0.00 0.00 56.10 54.01 1s82 s TRP 215 Cb 0.00 0.45 0.09 0.00 -1.16 0.00 0.00 33.47 32.84 1s82 s TRP 215 CO 0.00 -1.25 1.12 0.20 -4.06 0.00 0.00 176.95 172.96 1s82 s GLY 216 N -3.05 -0.27 -0.65 3.67 0.00 -1.26 -0.38 107.32 105.37 1s82 s GLY 216 Ca 0.19 0.31 -0.23 0.00 0.00 0.00 0.00 44.72 45.00 1s82 s GLY 216 CO 0.11 0.47 0.96 -0.47 0.00 0.00 0.00 173.10 174.18 1s82 s TYR 217 N -2.78 2.69 0.00 1.90 5.04 -1.26 -4.85 117.35 118.09 1s82 s TYR 217 Ca 0.15 -0.52 0.00 0.00 -2.44 0.00 0.00 57.07 54.25 1s82 s TYR 217 Cb 0.01 -4.27 0.00 0.00 0.35 0.00 0.00 41.96 38.05 1s82 s TYR 217 CO -0.00 -1.62 0.00 0.41 -1.34 0.00 0.00 175.55 173.00 1s82 n GLY 219 N 5.31 1.59 3.05 8.97 0.00 -1.26 -4.68 105.19 118.18 1s82 n GLY 219 Ca -0.04 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 1s82 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s82 n ALA 221 N 1.73 -0.07 -1.63 0.00 0.00 -1.26 -4.89 120.51 114.39 1s82 n ALA 221 Ca -0.22 0.07 -0.33 0.00 0.00 0.00 0.00 53.44 52.96 1s82 n ALA 221 Cb 0.56 -1.48 0.02 0.00 0.00 0.00 0.00 19.45 18.55 1s82 n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1s82 s GLN 221 N -2.21 3.14 0.33 0.00 -0.21 -1.26 -0.93 119.66 118.52 1s82 s GLN 221 Ca 0.00 1.38 -0.29 0.00 0.02 0.00 0.00 55.36 56.47 1s82 s GLN 221 Cb 0.00 -2.00 -0.12 0.00 1.00 0.00 0.00 33.01 31.90 1s82 s GLN 221 CO 0.00 -0.98 1.49 1.17 -2.12 0.00 0.00 175.29 174.85 1s82 n LYS 222 N -1.97 2.55 -2.12 2.91 4.81 -1.26 -2.87 118.16 120.21 1s82 n LYS 222 Ca 0.10 0.90 -0.11 0.00 -0.87 0.00 0.00 58.31 58.33 1s82 n LYS 222 Cb 0.52 -2.62 -0.02 0.00 0.02 0.00 0.00 35.03 32.93 1s82 n LYS 222 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1s82 n ASN 223 N 1.22 -3.46 -3.25 3.14 5.15 0.41 -4.90 115.26 113.58 1s82 n ASN 223 Ca 0.05 0.24 -0.25 0.00 -0.60 0.00 0.00 54.58 54.02 1s82 n ASN 223 Cb 0.37 -3.05 -0.07 0.00 -0.53 0.00 0.00 39.78 36.51 1s82 n ASN 223 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1s82 n LYS 224 N -2.48 1.40 -1.25 1.20 4.76 -1.14 -4.59 118.16 116.06 1s82 n LYS 224 Ca -0.13 -3.75 -0.31 0.00 -2.87 0.00 0.00 58.31 51.26 1s82 n LYS 224 Cb 0.53 -1.61 0.10 0.00 -1.84 0.00 0.00 35.03 32.21 1s82 n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1s82 s PRO 225 N -1.78 2.10 0.55 1.97 0.04 -1.26 -4.37 135.00 132.25 1s82 s PRO 225 Ca 0.38 1.11 -0.22 0.00 0.04 0.00 0.00 61.00 62.31 1s82 s PRO 225 Cb 0.18 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.80 1s82 s PRO 225 CO -0.08 -1.73 1.36 0.20 0.04 0.00 0.00 177.00 176.79 1s82 s GLY 226 N -3.40 2.89 -0.08 0.56 0.00 -1.23 -4.75 107.32 101.31 1s82 s GLY 226 Ca 0.61 1.34 0.03 0.00 0.00 0.00 0.00 44.72 46.70 1s82 s GLY 226 CO 0.56 1.85 -0.15 0.14 0.00 0.00 0.00 173.10 175.51 1s82 s VAL 227 N -1.30 2.98 0.00 1.40 1.01 0.49 -2.30 120.40 122.68 1s82 s VAL 227 Ca 0.72 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1s82 s VAL 227 Cb -0.40 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1s82 s VAL 227 CO 0.48 0.57 -0.08 -0.31 0.00 0.00 0.00 175.10 175.75 1s82 s TYR 228 N -0.32 0.71 0.17 5.22 1.51 0.33 -1.78 117.35 123.19 1s82 s TYR 228 Ca 0.03 -0.18 -0.32 0.00 -1.01 0.00 0.00 57.07 55.59 1s82 s TYR 228 Cb -0.13 -0.45 -0.10 0.00 -0.11 0.00 0.00 41.96 41.17 1s82 s TYR 228 CO 0.02 -0.01 1.60 0.99 -1.11 0.00 0.00 175.55 177.04 1s82 s THR 229 N -0.35 2.55 -1.04 -0.71 2.01 -0.45 -0.93 115.64 116.71 1s82 s THR 229 Ca 0.01 0.38 -0.23 0.00 0.31 0.00 0.00 61.69 62.17 1s82 s THR 229 Cb -0.04 -3.24 0.05 0.00 0.01 0.00 0.00 72.50 69.27 1s82 s THR 229 CO -0.00 0.03 1.50 -0.75 -0.69 0.00 0.00 174.62 174.71 1s82 s LYS 230 N 1.22 3.58 0.51 4.92 2.20 -0.33 -2.55 119.74 129.29 1s82 s LYS 230 Ca 0.71 -1.17 0.15 0.00 -0.36 0.00 0.00 55.97 55.30 1s82 s LYS 230 Cb -0.44 -5.36 1.22 0.00 -1.51 0.00 0.00 37.83 31.73 1s82 s LYS 230 CO 0.31 -2.27 2.13 0.28 -0.36 0.00 0.00 175.35 175.44 1s82 h VAL 231 N 6.70 1.02 0.00 4.02 2.07 -1.67 -2.25 116.25 126.14 1s82 h VAL 231 Ca 0.22 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1s82 h VAL 231 Cb 1.00 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1s82 h VAL 231 CO 1.42 0.02 0.00 0.00 0.02 0.00 0.00 177.57 179.03 1s82 n ASN 233 N -2.98 0.69 -0.29 0.00 4.13 -0.85 -4.09 115.26 111.88 1s82 n ASN 233 Ca -0.01 0.64 0.02 0.00 1.68 0.00 0.00 54.58 56.91 1s82 n ASN 233 Cb 0.16 -0.80 0.07 0.00 -1.54 0.00 0.00 39.78 37.67 1s82 n ASN 233 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1s82 n TYR 234 N -2.23 0.21 -0.30 3.10 4.01 -0.01 -4.67 117.16 117.27 1s82 n TYR 234 Ca 0.03 -0.50 -0.05 0.00 -0.16 0.00 0.00 57.90 57.22 1s82 n TYR 234 Cb 0.29 -0.04 0.07 0.00 -0.31 0.00 0.00 39.34 39.35 1s82 n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1s82 h VAL 235 N 0.90 1.25 -0.08 -0.72 2.07 -1.71 -0.21 116.25 117.75 1s82 h VAL 235 Ca 0.00 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1s82 h VAL 235 Cb 0.61 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1s82 h VAL 235 CO 0.00 0.30 0.04 0.78 0.02 0.00 0.00 177.57 178.71 1s82 h ASN 236 N 1.15 0.10 -0.70 0.57 2.35 -1.91 -1.42 115.58 115.74 1s82 h ASN 236 Ca 0.28 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1s82 h ASN 236 Cb 0.10 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1s82 h ASN 236 CO -0.04 0.16 0.38 -0.25 -1.65 0.00 0.00 177.43 176.04 1s82 h TRP 237 N 0.04 0.95 -0.13 1.19 7.01 -1.79 -1.32 115.95 121.89 1s82 h TRP 237 Ca 0.03 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 1s82 h TRP 237 Cb 0.08 -0.31 -0.00 0.00 -2.10 0.00 0.00 29.16 26.83 1s82 h TRP 237 CO -0.04 0.68 0.02 0.82 -2.79 0.00 0.00 178.44 177.12 1s82 h ILE 238 N 0.95 1.23 -0.44 2.65 2.04 -0.95 -1.47 117.51 121.52 1s82 h ILE 238 Ca 0.24 -0.73 -0.08 0.00 1.00 0.00 0.00 64.86 65.30 1s82 h ILE 238 Cb 0.04 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1s82 h ILE 238 CO -0.04 0.21 -0.06 1.56 0.00 0.00 0.00 178.15 179.83 1s82 h GLN 239 N -0.02 0.75 0.21 2.37 1.08 -1.03 -1.23 115.11 117.25 1s82 h GLN 239 Ca 0.04 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1s82 h GLN 239 Cb 0.31 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 1s82 h GLN 239 CO 0.00 0.80 -0.21 1.96 -0.95 0.00 0.00 178.83 180.43 1s82 h GLN 240 N 0.69 -0.44 -0.66 1.46 4.20 -1.21 -0.75 115.11 118.40 1s82 h GLN 240 Ca 0.13 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 1s82 h GLN 240 Cb 0.51 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 1s82 h GLN 240 CO 0.03 -0.29 0.34 1.15 -0.67 0.00 0.00 178.83 179.39 1s82 h THR 241 N -0.45 1.21 -0.28 -0.54 2.02 -1.03 -0.81 112.91 113.04 1s82 h THR 241 Ca -0.00 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 1s82 h THR 241 Cb 0.42 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1s82 h THR 241 CO -0.05 0.24 0.12 0.40 0.37 0.00 0.00 175.52 176.60 1s82 h ILE 242 N 0.90 1.17 -0.32 3.11 2.04 -1.12 -2.83 117.51 120.46 1s82 h ILE 242 Ca 0.23 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1s82 h ILE 242 Cb 0.07 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1s82 h ILE 242 CO -0.03 0.18 0.07 0.00 0.00 0.00 0.00 178.15 178.36 1s82 h ALA 243 N 0.96 1.52 -0.00 1.87 0.00 -0.72 -2.94 119.26 119.95 1s82 h ALA 243 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1s82 h ALA 243 Cb 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1s82 h ALA 243 CO -0.01 0.36 -0.13 0.00 0.00 0.00 0.00 179.25 179.46 1s82 n ALA 244 N -2.48 2.66 -0.76 0.00 0.00 -0.34 -5.10 120.51 114.50 1s82 n ALA 244 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1s82 n ALA 244 Cb 0.18 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1s82 n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59