#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q82 s ARG 2 N 0.00 0.72 0.00 -0.52 3.52 -1.26 -1.42 118.95 119.99 1q82 s ARG 2 Ca 0.00 1.12 0.07 0.00 -0.13 0.00 0.00 55.73 56.79 1q82 s ARG 2 Cb 0.00 0.21 -0.02 0.00 -1.56 0.00 0.00 34.95 33.58 1q82 s ARG 2 CO 0.00 -0.13 -0.21 0.14 -0.81 0.00 0.00 175.30 174.29 1q82 s VAL 3 N 1.26 1.63 -0.15 7.11 -7.23 0.62 -4.99 120.40 118.65 1q82 s VAL 3 Ca -0.07 -0.98 0.02 0.00 -1.81 0.00 0.00 61.98 59.14 1q82 s VAL 3 Cb -0.05 -1.37 0.01 0.00 0.56 0.00 0.00 36.38 35.52 1q82 s VAL 3 CO -0.14 0.37 -0.19 -1.61 -0.31 0.00 0.00 175.10 173.22 1q82 s GLU 4 N -0.71 3.09 -0.39 4.82 2.02 -1.26 -1.78 118.70 124.48 1q82 s GLU 4 Ca 0.08 -0.81 -0.06 0.00 0.02 0.00 0.00 54.97 54.19 1q82 s GLU 4 Cb -0.08 -2.51 0.08 0.00 0.10 0.00 0.00 34.13 31.72 1q82 s GLU 4 CO 0.00 -0.01 0.19 -0.51 0.02 0.00 0.00 175.26 174.95 1q82 s LEU 5 N 0.84 4.95 -0.05 1.80 1.43 0.00 -4.96 118.68 122.69 1q82 s LEU 5 Ca -0.06 -1.62 -0.30 0.00 -1.03 0.00 0.00 54.13 51.13 1q82 s LEU 5 Cb -0.15 -1.89 -0.06 0.00 0.03 0.00 0.00 46.19 44.12 1q82 s LEU 5 CO -0.02 -0.49 1.65 -1.61 0.23 0.00 0.00 176.35 176.12 1q82 s GLU 6 N 1.31 4.18 0.21 1.70 2.02 -1.26 -1.47 118.70 125.39 1q82 s GLU 6 Ca 0.03 2.19 -0.30 0.00 0.02 0.00 0.00 54.97 56.91 1q82 s GLU 6 Cb -0.22 -3.98 -0.08 0.00 0.10 0.00 0.00 34.13 29.94 1q82 s GLU 6 CO -0.00 -0.84 1.07 -1.50 0.02 0.00 0.00 175.26 174.00 1q82 s ILE 7 N 4.03 3.82 0.50 -1.63 2.07 -0.62 -4.97 121.20 124.40 1q82 s ILE 7 Ca 0.73 1.68 -0.23 0.00 -1.41 0.00 0.00 60.65 61.42 1q82 s ILE 7 Cb -0.33 -4.07 -0.07 0.00 0.13 0.00 0.00 42.46 38.12 1q82 s ILE 7 CO 0.29 0.34 1.23 -2.65 -1.91 0.00 0.00 174.94 172.24 1q82 n PRO 8 N 1.92 1.63 0.22 3.50 -0.02 -1.26 -4.88 135.00 136.12 1q82 n PRO 8 Ca 0.01 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 62.20 1q82 n PRO 8 Cb 0.46 -2.39 0.72 0.00 -0.02 0.00 0.00 33.50 32.27 1q82 n PRO 8 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1q82 h GLU 9 N 1.55 0.00 0.00 -0.52 4.11 -1.99 0.63 114.58 118.36 1q82 h GLU 9 Ca -0.49 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.92 1q82 h GLU 9 Cb 1.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 1q82 h GLU 9 CO 0.57 0.00 -0.12 0.22 0.07 0.00 0.00 179.01 179.75 1q82 h ASP 10 N 0.00 0.00 -2.00 3.06 1.82 -1.97 -3.46 116.42 113.87 1q82 h ASP 10 Ca 0.05 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 56.16 1q82 h ASP 10 Cb 0.20 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 40.14 1q82 h ASP 10 CO -0.00 0.12 -0.54 -0.69 -1.61 0.00 0.00 179.24 176.53 1q82 s VAL 11 N -3.69 3.51 -0.06 2.25 1.01 0.21 -4.55 120.40 119.08 1q82 s VAL 11 Ca 0.01 -1.60 -0.01 0.00 0.00 0.00 0.00 61.98 60.38 1q82 s VAL 11 Cb 0.10 -3.08 0.03 0.00 0.00 0.00 0.00 36.38 33.42 1q82 s VAL 11 CO 0.59 -0.25 -0.01 -1.81 0.00 0.00 0.00 175.10 173.62 1q82 s ASP 12 N -3.85 1.37 -0.14 3.32 1.01 -0.86 -4.77 116.67 112.76 1q82 s ASP 12 Ca 0.36 -0.10 0.01 0.00 0.71 0.00 0.00 52.55 53.53 1q82 s ASP 12 Cb -0.05 -0.44 0.02 0.00 1.01 0.00 0.00 42.92 43.46 1q82 s ASP 12 CO 0.23 -0.15 -0.15 0.00 0.21 0.00 0.00 175.17 175.31 1q82 s ALA 13 N 1.65 1.84 0.29 5.23 0.00 -1.26 -0.68 121.76 128.83 1q82 s ALA 13 Ca 0.00 -0.87 0.10 0.00 0.00 0.00 0.00 51.96 51.19 1q82 s ALA 13 Cb -0.13 -0.99 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 1q82 s ALA 13 CO -0.04 -0.28 -0.07 -2.00 0.00 0.00 0.00 175.76 173.37 1q82 s GLU 14 N 1.31 2.02 -0.29 0.00 2.12 -0.43 -4.92 118.70 118.50 1q82 s GLU 14 Ca 0.01 -1.62 -0.13 0.00 0.36 0.00 0.00 54.97 53.58 1q82 s GLU 14 Cb -0.14 -1.96 0.13 0.00 0.26 0.00 0.00 34.13 32.42 1q82 s GLU 14 CO -0.08 0.30 0.77 -1.14 -0.54 0.00 0.00 175.26 174.58 1q82 s GLN 15 N -3.62 0.52 -0.10 4.30 -0.44 -1.26 -0.73 119.66 118.34 1q82 s GLN 15 Ca 0.32 1.14 0.03 0.00 -2.50 0.00 0.00 55.36 54.35 1q82 s GLN 15 Cb -0.04 0.50 0.01 0.00 -1.64 0.00 0.00 33.01 31.83 1q82 s GLN 15 CO 0.18 -0.15 -0.20 0.16 0.50 0.00 0.00 175.29 175.78 1q82 s ASP 16 N 2.28 2.73 1.50 6.67 -4.77 -1.04 -4.87 116.67 119.19 1q82 s ASP 16 Ca -0.07 -0.49 0.00 0.00 -3.30 0.00 0.00 52.55 48.69 1q82 s ASP 16 Cb -0.08 -1.25 0.00 0.00 -1.09 0.00 0.00 42.92 40.50 1q82 s ASP 16 CO -0.18 0.11 0.00 1.41 0.70 0.00 0.00 175.17 177.21 1q82 n HIS 17 N 3.69 0.00 -0.19 2.11 8.25 -1.26 -2.47 115.22 125.35 1q82 n HIS 17 Ca -0.20 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.34 1q82 n HIS 17 Cb 0.52 0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.85 1q82 n HIS 17 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1q82 n LEU 18 N 0.00 3.31 -4.54 2.41 4.77 -1.26 -4.93 117.00 116.76 1q82 n LEU 18 Ca 0.00 -1.92 -0.34 0.00 -0.03 0.00 0.00 56.01 53.72 1q82 n LEU 18 Cb 0.00 -0.32 -0.11 0.00 -2.33 0.00 0.00 43.42 40.66 1q82 n LEU 18 CO 0.00 0.81 -0.33 -1.81 -1.33 0.00 0.00 177.39 174.74 1q82 s ASP 19 N -1.03 5.02 -0.06 -1.43 1.01 -1.03 -1.08 116.67 118.06 1q82 s ASP 19 Ca 0.34 -0.06 0.04 0.00 0.71 0.00 0.00 52.55 53.58 1q82 s ASP 19 Cb 0.18 -1.79 -0.02 0.00 1.01 0.00 0.00 42.92 42.29 1q82 s ASP 19 CO 0.23 0.19 -0.18 -0.63 0.21 0.00 0.00 175.17 174.99 1q82 s ILE 20 N 0.25 2.72 -0.01 0.77 1.01 0.11 -2.48 121.20 123.56 1q82 s ILE 20 Ca -0.01 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 59.87 1q82 s ILE 20 Cb -0.13 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 1q82 s ILE 20 CO 0.02 0.57 -0.21 -0.89 0.00 0.00 0.00 174.94 174.44 1q82 s THR 21 N -0.38 1.64 -0.08 2.92 2.01 0.09 -0.40 115.64 121.44 1q82 s THR 21 Ca 0.03 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.14 1q82 s THR 21 Cb -0.12 -1.37 0.01 0.00 0.01 0.00 0.00 72.50 71.04 1q82 s THR 21 CO 0.02 0.44 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.57 1q82 s VAL 22 N -0.51 1.24 -0.03 3.82 1.01 0.22 -1.32 120.40 124.83 1q82 s VAL 22 Ca 0.08 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.62 1q82 s VAL 22 Cb -0.08 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1q82 s VAL 22 CO -0.01 0.39 -0.24 -1.61 0.00 0.00 0.00 175.10 173.63 1q82 s GLU 23 N 0.87 2.03 0.25 2.72 2.02 0.14 -0.68 118.70 126.05 1q82 s GLU 23 Ca -0.10 -0.85 0.02 0.00 0.02 0.00 0.00 54.97 54.05 1q82 s GLU 23 Cb -0.15 -1.91 -0.01 0.00 0.10 0.00 0.00 34.13 32.16 1q82 s GLU 23 CO 0.01 0.49 0.30 0.41 0.02 0.00 0.00 175.26 176.48 1q82 n GLY 24 N 2.58 2.72 0.27 -1.39 0.00 0.15 -2.02 105.19 107.52 1q82 n GLY 24 Ca -0.16 -1.67 0.15 0.00 0.00 0.00 0.00 46.02 44.34 1q82 n GLY 24 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1q82 h ASP 25 N 1.48 0.00 0.20 1.61 3.32 -1.68 -2.17 116.42 119.18 1q82 h ASP 25 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1q82 h ASP 25 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1q82 h ASP 25 CO 0.26 0.08 -0.20 -3.20 -1.72 0.00 0.00 179.24 174.47 1q82 n ASN 26 N -3.39 1.05 0.00 6.45 5.15 -0.21 -5.04 115.26 119.27 1q82 n ASN 26 Ca -0.01 -0.96 0.00 0.00 -0.60 0.00 0.00 54.58 53.00 1q82 n ASN 26 Cb 0.25 0.10 0.00 0.00 -0.53 0.00 0.00 39.78 39.59 1q82 n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1q82 n GLY 27 N 1.31 0.79 3.14 8.20 0.00 -0.82 -4.73 105.19 113.08 1q82 n GLY 27 Ca 0.13 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.30 1q82 n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q82 s SER 28 N -4.00 -0.32 -0.05 1.61 1.04 -1.26 0.35 113.70 111.07 1q82 s SER 28 Ca 0.00 0.60 0.04 0.00 0.48 0.00 0.00 55.95 57.07 1q82 s SER 28 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1q82 s SER 28 CO 0.00 -0.13 -0.16 -0.69 0.98 0.00 0.00 173.24 173.24 1q82 s VAL 29 N 0.70 1.33 -0.07 5.02 1.01 0.15 -4.94 120.40 123.60 1q82 s VAL 29 Ca -0.04 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.35 1q82 s VAL 29 Cb -0.06 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1q82 s VAL 29 CO -0.04 0.39 -0.25 -0.89 0.00 0.00 0.00 175.10 174.31 1q82 s THR 30 N 0.20 2.05 0.15 3.92 2.01 -1.26 -0.61 115.64 122.10 1q82 s THR 30 Ca -0.07 -1.05 0.03 0.00 0.31 0.00 0.00 61.69 60.91 1q82 s THR 30 Cb -0.12 -1.74 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 1q82 s THR 30 CO 0.03 0.57 -0.04 -0.13 -0.69 0.00 0.00 174.62 174.35 1q82 s ARG 31 N -0.05 1.04 -0.19 4.92 0.52 0.46 -4.96 118.95 120.70 1q82 s ARG 31 Ca -0.07 -1.47 -0.04 0.00 -0.52 0.00 0.00 55.73 53.63 1q82 s ARG 31 Cb -0.15 -0.36 -0.02 0.00 0.52 0.00 0.00 34.95 34.94 1q82 s ARG 31 CO 0.05 -0.05 -0.03 0.50 0.02 0.00 0.00 175.30 175.79 1q82 s ARG 32 N -3.85 3.55 -0.60 3.54 3.52 -1.26 0.03 118.95 123.89 1q82 s ARG 32 Ca 0.19 -0.56 0.04 0.00 -0.13 0.00 0.00 55.73 55.28 1q82 s ARG 32 Cb 0.05 -2.99 0.15 0.00 -1.56 0.00 0.00 34.95 30.60 1q82 s ARG 32 CO 0.01 0.03 0.37 -0.51 -0.81 0.00 0.00 175.30 174.39 1q82 s LEU 33 N 0.92 4.46 -0.25 -0.88 1.43 -0.24 -5.01 118.68 119.10 1q82 s LEU 33 Ca 0.00 -3.39 -0.01 0.00 -1.03 0.00 0.00 54.13 49.70 1q82 s LEU 33 Cb -0.14 -1.60 0.03 0.00 0.03 0.00 0.00 46.19 44.50 1q82 s LEU 33 CO 0.01 -0.16 -0.06 0.86 0.23 0.00 0.00 176.35 177.23 1q82 s TRP 34 N -0.81 3.09 -0.04 0.29 -0.00 -1.26 -4.89 118.94 115.32 1q82 s TRP 34 Ca 0.21 -1.66 -0.17 0.00 -0.00 0.00 0.00 56.10 54.48 1q82 s TRP 34 Cb -0.16 -2.05 0.03 0.00 -0.00 0.00 0.00 33.47 31.30 1q82 s TRP 34 CO -0.08 -0.75 0.37 -0.47 -0.00 0.00 0.00 176.95 176.02 1q82 s TYR 35 N 1.30 -0.28 -0.27 5.86 5.04 -1.26 -5.12 117.35 122.61 1q82 s TYR 35 Ca -0.01 0.50 -0.37 0.00 -2.44 0.00 0.00 57.07 54.75 1q82 s TYR 35 Cb -0.17 0.15 -0.13 0.00 0.35 0.00 0.00 41.96 42.16 1q82 s TYR 35 CO -0.04 -0.39 1.98 -2.30 -1.34 0.00 0.00 175.55 173.45 1q82 n PRO 36 N 1.45 1.32 -2.66 4.97 -0.02 -1.26 -2.59 135.00 136.21 1q82 n PRO 36 Ca -0.20 0.44 -0.19 0.00 -2.02 0.00 0.00 63.50 61.53 1q82 n PRO 36 Cb 0.56 -2.37 0.01 0.00 -0.02 0.00 0.00 33.50 31.68 1q82 n PRO 36 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1q82 n ASP 37 N 7.69 -5.49 -4.09 2.55 8.00 -1.26 -5.00 116.55 118.96 1q82 n ASP 37 Ca 0.33 -0.15 -0.32 0.00 0.71 0.00 0.00 54.79 55.36 1q82 n ASP 37 Cb 0.21 -4.43 -0.16 0.00 -0.02 0.00 0.00 41.12 36.72 1q82 n ASP 37 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1q82 s ILE 38 N -3.02 2.01 -0.21 0.53 1.01 -1.07 -4.16 121.20 116.29 1q82 s ILE 38 Ca 0.14 -1.08 -0.09 0.00 0.00 0.00 0.00 60.65 59.62 1q82 s ILE 38 Cb -0.06 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 1q82 s ILE 38 CO 0.18 0.37 0.12 -1.81 0.00 0.00 0.00 174.94 173.80 1q82 s ASP 39 N 1.27 6.04 -0.11 3.58 1.01 -0.12 -4.69 116.67 123.65 1q82 s ASP 39 Ca 0.01 0.16 -0.00 0.00 0.71 0.00 0.00 52.55 53.43 1q82 s ASP 39 Cb -0.15 -2.06 -0.02 0.00 1.01 0.00 0.00 42.92 41.70 1q82 s ASP 39 CO -0.11 0.15 -0.09 -0.69 0.21 0.00 0.00 175.17 174.64 1q82 s VAL 40 N 0.55 3.45 0.08 -1.27 1.01 -1.26 -2.19 120.40 120.77 1q82 s VAL 40 Ca 0.07 -0.54 -0.14 0.00 0.00 0.00 0.00 61.98 61.37 1q82 s VAL 40 Cb -0.12 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.83 1q82 s VAL 40 CO 0.00 0.54 0.31 -0.94 0.00 0.00 0.00 175.10 175.02 1q82 s SER 41 N -0.05 -0.11 -0.48 3.32 1.04 -0.32 -4.97 113.70 112.12 1q82 s SER 41 Ca -0.01 -0.32 -0.12 0.00 0.48 0.00 0.00 55.95 55.99 1q82 s SER 41 Cb -0.14 0.39 0.11 0.00 0.10 0.00 0.00 66.02 66.49 1q82 s SER 41 CO 0.03 -0.71 0.38 -0.69 0.98 0.00 0.00 173.24 173.23 1q82 s VAL 42 N -3.20 4.57 -1.19 5.02 1.01 -1.26 0.41 120.40 125.76 1q82 s VAL 42 Ca -0.00 -1.59 -0.12 0.00 0.00 0.00 0.00 61.98 60.26 1q82 s VAL 42 Cb 0.01 -3.93 0.20 0.00 0.00 0.00 0.00 36.38 32.66 1q82 s VAL 42 CO -0.07 -0.74 1.39 -0.67 0.00 0.00 0.00 175.10 175.00 1q82 n ASP 43 N 5.03 5.32 0.00 3.32 2.03 0.20 -4.93 116.55 127.52 1q82 n ASP 43 Ca -0.10 -3.01 0.00 0.00 0.52 0.00 0.00 54.79 52.20 1q82 n ASP 43 Cb 0.41 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.30 1q82 n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1q82 n GLY 44 N 3.58 0.26 0.08 0.27 0.00 -1.26 -1.52 105.19 106.60 1q82 n GLY 44 Ca 0.34 0.59 0.12 0.00 0.00 0.00 0.00 46.02 47.06 1q82 n GLY 44 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1q82 h ASP 45 N 0.00 0.00 -4.53 1.61 2.03 -1.97 -3.47 116.42 110.08 1q82 h ASP 45 Ca 0.00 -0.16 -0.37 0.00 -0.73 0.00 0.00 57.03 55.77 1q82 h ASP 45 Cb 0.00 0.00 -0.22 0.00 -0.83 0.00 0.00 39.33 38.28 1q82 h ASP 45 CO 0.00 0.08 -0.77 0.42 -1.03 0.00 0.00 179.24 177.94 1q82 s THR 46 N -3.19 0.92 -0.10 1.15 -4.23 -0.58 -1.59 115.64 108.03 1q82 s THR 46 Ca 0.06 -1.17 -0.11 0.00 -1.18 0.00 0.00 61.69 59.28 1q82 s THR 46 Cb 0.12 -0.90 -0.05 0.00 1.34 0.00 0.00 72.50 73.02 1q82 s THR 46 CO 0.72 -0.24 0.26 -0.69 -0.54 0.00 0.00 174.62 174.13 1q82 s VAL 47 N -1.23 5.30 -0.11 2.29 1.01 -0.55 0.59 120.40 127.71 1q82 s VAL 47 Ca -0.04 0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.45 1q82 s VAL 47 Cb -0.10 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 1q82 s VAL 47 CO 0.02 0.54 -0.17 -0.69 0.00 0.00 0.00 175.10 174.79 1q82 s VAL 48 N -0.58 2.69 -0.19 2.92 1.01 0.17 -0.82 120.40 125.60 1q82 s VAL 48 Ca 0.18 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1q82 s VAL 48 Cb -0.14 -2.09 0.03 0.00 0.00 0.00 0.00 36.38 34.19 1q82 s VAL 48 CO 0.06 0.54 -0.16 -0.63 0.00 0.00 0.00 175.10 174.92 1q82 s ILE 49 N 0.20 1.93 0.08 2.22 1.01 -0.74 -1.18 121.20 124.73 1q82 s ILE 49 Ca -0.10 -1.03 -0.08 0.00 0.00 0.00 0.00 60.65 59.44 1q82 s ILE 49 Cb -0.16 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 1q82 s ILE 49 CO 0.06 0.36 0.17 -1.83 0.00 0.00 0.00 174.94 173.70 1q82 s GLU 50 N 1.31 0.81 0.07 2.79 -1.05 -0.93 -0.28 118.70 121.42 1q82 s GLU 50 Ca 0.01 -0.97 -0.23 0.00 -0.15 0.00 0.00 54.97 53.64 1q82 s GLU 50 Cb -0.15 0.32 0.06 0.00 -0.44 0.00 0.00 34.13 33.92 1q82 s GLU 50 CO -0.10 -0.25 0.54 0.45 0.95 0.00 0.00 175.26 176.85 1q82 s SER 51 N -2.82 -0.47 0.14 0.83 0.15 -0.51 -0.95 113.70 110.07 1q82 s SER 51 Ca 0.05 0.13 0.25 0.00 0.70 0.00 0.00 55.95 57.08 1q82 s SER 51 Cb 0.05 0.52 0.50 0.00 -1.71 0.00 0.00 66.02 65.38 1q82 s SER 51 CO -0.11 -0.78 1.47 0.47 1.20 0.00 0.00 173.24 175.49 1q82 n ASP 52 N 0.19 0.72 -4.92 5.45 8.00 -1.26 -1.88 116.55 122.86 1q82 n ASP 52 Ca -0.18 0.25 -0.30 0.00 0.71 0.00 0.00 54.79 55.28 1q82 n ASP 52 Cb 0.61 -0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.54 1q82 n ASP 52 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1q82 s GLU 53 N -3.14 3.53 -0.09 -1.24 2.02 -1.26 -4.67 118.70 113.85 1q82 s GLU 53 Ca 0.08 -0.29 0.13 0.00 0.02 0.00 0.00 54.97 54.91 1q82 s GLU 53 Cb 0.13 -2.89 0.20 0.00 0.10 0.00 0.00 34.13 31.67 1q82 s GLU 53 CO 0.68 0.48 1.09 -0.40 0.02 0.00 0.00 175.26 177.13 1q82 n ASP 54 N -0.18 1.77 -4.78 -0.19 5.75 -1.26 -4.43 116.55 113.23 1q82 n ASP 54 Ca -0.04 -2.73 -0.35 0.00 -0.01 0.00 0.00 54.79 51.66 1q82 n ASP 54 Cb 0.52 -0.34 -0.01 0.00 -1.03 0.00 0.00 41.12 40.27 1q82 n ASP 54 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1q82 s ASN 55 N -2.27 5.98 0.27 -1.12 2.20 -1.26 -4.74 114.94 114.00 1q82 s ASN 55 Ca 0.22 2.12 -0.04 0.00 -0.94 0.00 0.00 52.86 54.22 1q82 s ASN 55 Cb 0.19 -2.58 0.53 0.00 -2.00 0.00 0.00 41.25 37.39 1q82 s ASN 55 CO 0.02 -1.04 1.45 0.00 -2.94 0.00 0.00 177.10 174.59 1q82 n ALA 56 N -1.06 0.31 0.21 3.54 0.00 -1.26 0.02 120.51 122.28 1q82 n ALA 56 Ca 0.10 1.01 0.06 0.00 0.00 0.00 0.00 53.44 54.61 1q82 n ALA 56 Cb 0.51 -0.65 0.56 0.00 0.00 0.00 0.00 19.45 19.86 1q82 n ALA 56 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1q82 h LYS 57 N 0.00 0.09 0.12 0.00 1.57 -2.00 -0.13 116.57 116.22 1q82 h LYS 57 Ca 0.49 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 59.09 1q82 h LYS 57 Cb 0.85 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 33.16 1q82 h LYS 57 CO -0.92 0.12 -0.71 1.15 -0.57 0.00 0.00 179.45 178.52 1q82 h THR 58 N 0.09 1.54 -0.62 -0.16 2.02 -0.75 -3.15 112.91 111.88 1q82 h THR 58 Ca 0.02 -2.48 0.01 0.00 0.77 0.00 0.00 66.41 64.74 1q82 h THR 58 Cb 0.10 3.18 -0.03 0.00 -1.74 0.00 0.00 68.15 69.66 1q82 h THR 58 CO 0.00 0.70 0.41 0.24 0.37 0.00 0.00 175.52 177.24 1q82 h MET 59 N -0.42 0.78 0.31 6.66 2.86 -1.04 -0.57 114.93 123.52 1q82 h MET 59 Ca -0.12 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1q82 h MET 59 Cb 1.55 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 33.01 1q82 h MET 59 CO 0.13 0.52 -0.31 0.77 1.06 0.00 0.00 176.91 179.08 1q82 h SER 60 N 0.80 -0.84 -0.42 1.22 0.02 -1.06 -1.54 113.55 111.73 1q82 h SER 60 Ca 0.23 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 1q82 h SER 60 Cb -0.05 0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1q82 h SER 60 CO -0.05 -0.44 0.22 0.74 -1.14 0.00 0.00 176.83 176.15 1q82 h THR 61 N -0.66 1.16 -0.60 -2.27 2.02 -1.36 -1.55 112.91 109.66 1q82 h THR 61 Ca -0.02 -0.42 0.12 0.00 0.77 0.00 0.00 66.41 66.86 1q82 h THR 61 Cb 0.60 0.68 -0.10 0.00 -1.74 0.00 0.00 68.15 67.58 1q82 h THR 61 CO -0.06 0.17 -0.01 0.40 0.37 0.00 0.00 175.52 176.39 1q82 h ILE 62 N 0.54 0.51 -0.83 3.11 2.04 -0.92 0.40 117.51 122.36 1q82 h ILE 62 Ca 0.15 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 66.03 1q82 h ILE 62 Cb 0.07 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 1q82 h ILE 62 CO -0.02 0.02 0.54 1.23 0.00 0.00 0.00 178.15 179.92 1q82 h GLY 63 N 0.11 1.16 0.69 5.37 0.00 -0.67 -1.30 103.07 108.43 1q82 h GLY 63 Ca 0.31 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 1q82 h GLY 63 CO -0.51 0.28 -0.03 -0.84 0.00 0.00 0.00 176.54 175.44 1q82 h THR 64 N 0.93 1.13 -0.66 4.70 2.02 0.57 -2.73 112.91 118.87 1q82 h THR 64 Ca 0.35 -0.69 0.09 0.00 0.77 0.00 0.00 66.41 66.93 1q82 h THR 64 Cb 0.19 1.59 -0.07 0.00 -1.74 0.00 0.00 68.15 68.11 1q82 h THR 64 CO -0.12 0.17 0.31 -0.26 0.37 0.00 0.00 175.52 175.99 1q82 h PHE 65 N -0.40 0.56 0.07 3.16 0.05 -0.08 -0.56 116.94 119.74 1q82 h PHE 65 Ca -0.01 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.81 1q82 h PHE 65 Cb 0.35 -0.15 -0.02 0.00 2.00 0.00 0.00 35.95 38.13 1q82 h PHE 65 CO 0.03 0.20 -0.23 0.37 -0.18 0.00 0.00 178.31 178.50 1q82 h GLN 66 N 0.54 -0.33 -0.33 1.51 4.15 -1.16 -0.32 115.11 119.18 1q82 h GLN 66 Ca 0.33 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.87 1q82 h GLN 66 Cb 0.34 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1q82 h GLN 66 CO -0.27 -0.22 0.34 0.77 -1.93 0.00 0.00 178.83 177.53 1q82 h SER 67 N -0.34 0.00 -0.23 -0.69 0.02 -1.16 -0.80 113.55 110.35 1q82 h SER 67 Ca -0.01 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 1q82 h SER 67 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1q82 h SER 67 CO -0.11 0.00 -0.63 0.45 -1.14 0.00 0.00 176.83 175.40 1q82 h HIS 68 N 0.00 1.08 -0.09 3.45 3.86 0.17 -1.80 115.15 121.82 1q82 h HIS 68 Ca 0.16 -0.42 -0.05 0.00 -1.16 0.00 0.00 60.37 58.90 1q82 h HIS 68 Cb 0.85 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 29.13 1q82 h HIS 68 CO 0.00 1.25 -0.13 0.82 0.86 0.00 0.00 177.93 180.74 1q82 h ILE 69 N 0.60 1.39 -0.60 2.45 2.04 0.22 -2.47 117.51 121.14 1q82 h ILE 69 Ca -0.01 -1.36 0.04 0.00 1.00 0.00 0.00 64.86 64.53 1q82 h ILE 69 Cb 1.25 2.09 -0.05 0.00 -0.74 0.00 0.00 36.82 39.37 1q82 h ILE 69 CO 0.14 0.38 0.33 -0.33 0.00 0.00 0.00 178.15 178.67 1q82 h GLU 70 N -0.21 0.62 -0.10 2.37 5.08 -1.29 0.68 114.58 121.73 1q82 h GLU 70 Ca 0.01 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1q82 h GLU 70 Cb 0.68 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1q82 h GLU 70 CO 0.03 0.41 0.08 -0.91 -1.00 0.00 0.00 179.01 177.61 1q82 h ASN 71 N 0.64 0.00 0.44 1.42 4.21 -1.28 -0.65 115.58 120.36 1q82 h ASN 71 Ca 0.26 0.00 -0.23 0.00 1.21 0.00 0.00 56.30 57.53 1q82 h ASN 71 Cb 0.12 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.32 1q82 h ASN 71 CO -0.15 0.00 -1.00 0.24 -1.29 0.00 0.00 177.43 175.22 1q82 h MET 72 N 0.00 0.35 -0.02 0.81 2.86 -0.44 -2.10 114.93 116.39 1q82 h MET 72 Ca 0.05 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 1q82 h MET 72 Cb 0.20 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 1q82 h MET 72 CO -0.00 1.11 0.01 0.74 1.06 0.00 0.00 176.91 179.83 1q82 h PHE 73 N 0.17 0.03 -0.09 -0.22 0.05 0.15 -1.92 116.94 115.11 1q82 h PHE 73 Ca -0.09 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.67 1q82 h PHE 73 Cb 1.66 -0.01 -0.01 0.00 2.00 0.00 0.00 35.95 39.59 1q82 h PHE 73 CO 0.06 0.03 -0.11 1.25 -0.18 0.00 0.00 178.31 179.36 1q82 h HIS 74 N 0.01 0.15 -0.13 -0.55 2.76 -1.33 -2.92 115.15 113.14 1q82 h HIS 74 Ca 0.01 -0.01 -0.19 0.00 -2.20 0.00 0.00 60.37 57.98 1q82 h HIS 74 Cb 0.02 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 28.93 1q82 h HIS 74 CO -0.07 0.26 -0.70 0.78 -1.30 0.00 0.00 177.93 176.90 1q82 h GLY 75 N 0.59 0.63 1.03 5.26 0.00 -0.87 0.36 103.07 110.06 1q82 h GLY 75 Ca 0.03 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1q82 h GLY 75 CO 0.02 0.75 -0.04 3.33 0.00 0.00 0.00 176.54 180.60 1q82 n VAL 76 N -3.90 0.00 0.00 4.60 0.24 -0.77 -3.29 118.33 115.21 1q82 n VAL 76 Ca -0.05 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1q82 n VAL 76 Cb 0.69 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 1q82 n VAL 76 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1q82 n THR 77 N -0.98 0.00 -0.03 3.34 -2.24 -1.12 -1.04 114.28 112.21 1q82 n THR 77 Ca 0.17 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.98 1q82 n THR 77 Cb 0.23 -0.05 0.39 0.00 -2.10 0.00 0.00 70.33 68.79 1q82 n THR 77 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1q82 h GLU 78 N 0.00 0.60 0.00 -0.78 5.08 -1.63 -3.41 114.58 114.45 1q82 h GLU 78 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1q82 h GLU 78 Cb 0.00 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1q82 h GLU 78 CO 0.00 0.42 0.00 0.41 -1.00 0.00 0.00 179.01 178.84 1q82 n GLY 79 N -1.41 -0.42 3.13 -3.84 0.00 0.12 -4.98 105.19 97.78 1q82 n GLY 79 Ca 0.04 -1.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.00 1q82 n GLY 79 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1q82 s TRP 80 N -1.38 1.78 -0.02 1.61 0.52 -0.26 -4.67 118.94 116.52 1q82 s TRP 80 Ca 0.00 -0.57 0.01 0.00 0.02 0.00 0.00 56.10 55.56 1q82 s TRP 80 Cb 0.00 -1.21 0.02 0.00 -1.15 0.00 0.00 33.47 31.13 1q82 s TRP 80 CO 0.00 -0.22 -0.01 -1.21 0.02 0.00 0.00 176.95 175.54 1q82 s GLU 81 N 0.18 0.27 -0.06 4.98 2.02 -1.26 -1.14 118.70 123.70 1q82 s GLU 81 Ca -0.08 0.03 0.04 0.00 0.02 0.00 0.00 54.97 54.99 1q82 s GLU 81 Cb -0.13 -0.40 -0.02 0.00 0.10 0.00 0.00 34.13 33.68 1q82 s GLU 81 CO 0.03 -0.08 -0.17 0.71 0.02 0.00 0.00 175.26 175.77 1q82 s TYR 82 N 0.73 2.63 -0.10 1.61 1.51 0.20 -3.72 117.35 120.20 1q82 s TYR 82 Ca -0.07 -0.32 -0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1q82 s TYR 82 Cb -0.10 -1.63 -0.03 0.00 -0.11 0.00 0.00 41.96 40.09 1q82 s TYR 82 CO -0.01 0.06 -0.03 0.20 -1.11 0.00 0.00 175.55 174.66 1q82 s GLY 83 N -0.52 1.77 0.15 0.71 0.00 -0.65 -0.60 107.32 108.17 1q82 s GLY 83 Ca 0.07 -0.83 0.06 0.00 0.00 0.00 0.00 44.72 44.02 1q82 s GLY 83 CO 0.01 -0.43 -0.14 1.06 0.00 0.00 0.00 173.10 173.60 1q82 s MET 84 N -0.46 1.13 -0.11 2.90 -1.94 0.90 0.18 119.30 121.90 1q82 s MET 84 Ca 0.08 -1.36 0.00 0.00 -1.71 0.00 0.00 55.69 52.70 1q82 s MET 84 Cb -0.12 -0.98 0.02 0.00 2.01 0.00 0.00 34.83 35.77 1q82 s MET 84 CO 0.02 0.18 -0.10 -1.21 -0.01 0.00 0.00 175.02 173.90 1q82 s GLU 85 N -3.02 1.72 0.26 2.03 2.02 -0.19 -0.32 118.70 121.20 1q82 s GLU 85 Ca 0.14 -0.35 -0.29 0.00 0.02 0.00 0.00 54.97 54.48 1q82 s GLU 85 Cb -0.03 -1.65 -0.09 0.00 0.10 0.00 0.00 34.13 32.46 1q82 s GLU 85 CO 0.04 -0.19 0.97 0.54 0.02 0.00 0.00 175.26 176.64 1q82 s VAL 86 N 1.41 4.00 -0.08 2.63 0.11 -0.96 -2.03 120.40 125.47 1q82 s VAL 86 Ca 0.00 1.95 -0.06 0.00 -2.93 0.00 0.00 61.98 60.94 1q82 s VAL 86 Cb -0.13 -4.21 0.03 0.00 -1.53 0.00 0.00 36.38 30.53 1q82 s VAL 86 CO -0.06 0.42 0.20 0.12 -3.33 0.00 0.00 175.10 172.45 1q82 s PHE 87 N -1.25 -0.24 0.02 1.54 5.36 -0.65 -4.91 117.98 117.86 1q82 s PHE 87 Ca 0.43 0.58 -0.09 0.00 -0.96 0.00 0.00 56.93 56.89 1q82 s PHE 87 Cb -0.26 0.05 0.00 0.00 -0.34 0.00 0.00 43.02 42.48 1q82 s PHE 87 CO 0.32 -0.14 0.17 1.52 -1.46 0.00 0.00 175.22 175.64 1q82 s TYR 88 N 0.44 0.05 -0.18 10.12 -0.85 -1.26 -0.93 117.35 124.74 1q82 s TYR 88 Ca -0.03 -0.22 0.07 0.00 -0.52 0.00 0.00 57.07 56.38 1q82 s TYR 88 Cb -0.04 -0.04 -0.16 0.00 0.38 0.00 0.00 41.96 42.10 1q82 s TYR 88 CO -0.02 -0.38 -0.07 -1.13 -1.52 0.00 0.00 175.55 172.44 1q82 n SER 89 N 0.96 1.83 0.00 -0.18 3.41 -1.26 -4.91 113.62 113.48 1q82 n SER 89 Ca -0.20 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 1q82 n SER 89 Cb 0.58 0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 1q82 n SER 89 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1q82 n HIS 90 N -2.84 0.00 -3.45 7.33 -0.00 -1.26 -5.03 115.22 109.98 1q82 n HIS 90 Ca -0.30 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.04 1q82 n HIS 90 Cb 0.94 0.15 -0.08 0.00 -0.00 0.00 0.00 29.99 31.00 1q82 n HIS 90 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1q82 s PHE 91 N -1.91 3.38 -0.43 1.57 0.40 -1.26 -5.00 117.98 114.72 1q82 s PHE 91 Ca 0.00 0.55 -0.27 0.00 -0.60 0.00 0.00 56.93 56.61 1q82 s PHE 91 Cb 0.00 -2.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.02 1q82 s PHE 91 CO 0.00 0.03 2.09 -2.14 0.70 0.00 0.00 175.22 175.90 1q82 s PRO 92 N 1.17 2.72 0.23 0.24 0.02 -1.26 -4.76 135.00 133.36 1q82 s PRO 92 Ca 0.17 1.33 -0.30 0.00 0.02 0.00 0.00 61.00 62.22 1q82 s PRO 92 Cb -0.14 -4.40 -0.09 0.00 0.02 0.00 0.00 34.50 29.89 1q82 s PRO 92 CO 0.07 -2.58 1.12 1.41 -0.33 0.00 0.00 177.00 176.69 1q82 s MET 93 N 6.97 4.59 -0.28 5.54 1.75 -1.26 -4.80 119.30 131.82 1q82 s MET 93 Ca 0.86 1.79 0.02 0.00 -1.25 0.00 0.00 55.69 57.11 1q82 s MET 93 Cb -0.20 -3.23 0.06 0.00 2.84 0.00 0.00 34.83 34.30 1q82 s MET 93 CO 0.28 0.10 -0.06 -0.65 -0.65 0.00 0.00 175.02 174.04 1q82 s GLN 94 N -0.85 2.23 -0.37 4.11 -0.21 -0.44 -4.96 119.66 119.17 1q82 s GLN 94 Ca 0.48 -1.38 -0.13 0.00 0.02 0.00 0.00 55.36 54.35 1q82 s GLN 94 Cb -0.31 -3.00 0.00 0.00 1.00 0.00 0.00 33.01 30.70 1q82 s GLN 94 CO 0.38 -0.62 0.26 0.08 -2.12 0.00 0.00 175.29 173.27 1q82 s VAL 95 N 1.13 5.16 0.09 1.09 1.01 -1.26 0.27 120.40 127.89 1q82 s VAL 95 Ca -0.06 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.50 1q82 s VAL 95 Cb -0.20 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1q82 s VAL 95 CO -0.04 -0.16 -0.18 0.20 0.00 0.00 0.00 175.10 174.93 1q82 s ASN 96 N 1.68 2.12 -0.31 3.32 -0.87 0.19 -4.97 114.94 116.10 1q82 s ASN 96 Ca 0.05 -0.65 -0.13 0.00 -1.57 0.00 0.00 52.86 50.56 1q82 s ASN 96 Cb -0.18 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.25 40.92 1q82 s ASN 96 CO 0.10 -0.01 0.26 -0.69 -2.57 0.00 0.00 177.10 174.19 1q82 s VAL 97 N -1.23 5.26 -0.26 1.60 1.01 -1.26 0.17 120.40 125.69 1q82 s VAL 97 Ca 0.02 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 1q82 s VAL 97 Cb -0.10 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.69 1q82 s VAL 97 CO 0.03 0.08 0.06 -1.61 0.00 0.00 0.00 175.10 173.67 1q82 s GLU 98 N 1.83 0.74 5.69 2.72 2.02 -0.64 -4.95 118.70 126.11 1q82 s GLU 98 Ca 0.08 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.28 1q82 s GLU 98 Cb -0.17 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.02 1q82 s GLU 98 CO 0.11 -0.83 0.00 0.41 0.02 0.00 0.00 175.26 174.97 1q82 n GLY 99 N 4.93 1.10 1.73 -1.39 0.00 -1.26 -3.41 105.19 106.88 1q82 n GLY 99 Ca -0.06 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 1q82 n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q82 n ASP 100 N 6.52 4.47 -3.65 1.61 8.00 -1.26 -4.96 116.55 127.28 1q82 n ASP 100 Ca 0.00 -3.78 -0.11 0.00 0.71 0.00 0.00 54.79 51.61 1q82 n ASP 100 Cb 0.00 -0.60 -0.08 0.00 -0.02 0.00 0.00 41.12 40.43 1q82 n ASP 100 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1q82 s GLU 101 N -3.51 0.73 0.04 -1.24 -1.05 -1.22 -0.71 118.70 111.74 1q82 s GLU 101 Ca 0.51 1.04 -0.27 0.00 -0.15 0.00 0.00 54.97 56.09 1q82 s GLU 101 Cb 0.43 0.27 -0.05 0.00 -0.44 0.00 0.00 34.13 34.34 1q82 s GLU 101 CO 0.01 -0.12 0.86 0.54 0.95 0.00 0.00 175.26 177.50 1q82 s VAL 102 N 0.90 4.74 -0.00 1.83 0.11 -1.08 -1.61 120.40 125.29 1q82 s VAL 102 Ca -0.04 1.83 0.04 0.00 -2.93 0.00 0.00 61.98 60.88 1q82 s VAL 102 Cb -0.05 -4.21 -0.03 0.00 -1.53 0.00 0.00 36.38 30.56 1q82 s VAL 102 CO -0.08 0.29 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.17 1q82 s VAL 103 N 0.33 3.25 -0.09 2.04 1.01 0.44 -2.78 120.40 124.61 1q82 s VAL 103 Ca 0.44 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1q82 s VAL 103 Cb -0.21 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.81 1q82 s VAL 103 CO 0.25 0.44 -0.19 -0.63 0.00 0.00 0.00 175.10 174.97 1q82 s ILE 104 N -0.90 1.69 0.19 2.22 1.01 0.73 0.54 121.20 126.68 1q82 s ILE 104 Ca 0.15 -0.80 0.11 0.00 0.00 0.00 0.00 60.65 60.11 1q82 s ILE 104 Cb -0.11 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 1q82 s ILE 104 CO 0.05 0.48 -0.24 -1.61 0.00 0.00 0.00 174.94 173.61 1q82 s GLU 105 N 0.50 1.51 -1.57 2.79 2.02 0.14 -1.06 118.70 123.03 1q82 s GLU 105 Ca -0.17 -1.52 0.00 0.00 0.02 0.00 0.00 54.97 53.31 1q82 s GLU 105 Cb -0.17 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.21 1q82 s GLU 105 CO 0.06 0.40 0.00 -1.71 0.02 0.00 0.00 175.26 174.04 1q82 n ASN 106 N 0.30 -4.95 -4.71 -0.19 4.05 -1.22 -1.32 115.26 107.21 1q82 n ASN 106 Ca -0.13 0.18 -0.42 0.00 0.45 0.00 0.00 54.58 54.66 1q82 n ASN 106 Cb 0.56 -4.00 -0.03 0.00 1.23 0.00 0.00 39.78 37.54 1q82 n ASN 106 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 1q82 s PHE 107 N -2.73 2.74 -0.55 1.20 5.36 -1.26 -1.28 117.98 121.45 1q82 s PHE 107 Ca 0.00 0.28 0.00 0.00 -0.96 0.00 0.00 56.93 56.25 1q82 s PHE 107 Cb 0.00 -4.13 0.00 0.00 -0.34 0.00 0.00 43.02 38.55 1q82 s PHE 107 CO 0.00 -4.37 0.00 1.28 -1.46 0.00 0.00 175.22 170.67 1q82 n LEU 108 N 4.40 -0.54 0.00 6.12 4.32 -1.26 0.10 117.00 130.14 1q82 n LEU 108 Ca 0.16 0.30 0.00 0.00 -0.02 0.00 0.00 56.01 56.45 1q82 n LEU 108 Cb 0.36 -1.48 0.00 0.00 -1.62 0.00 0.00 43.42 40.68 1q82 n LEU 108 CO 0.64 -0.12 0.00 0.61 -1.22 0.00 0.00 177.39 177.30 1q82 n GLY 109 N -0.53 1.12 3.65 -0.72 0.00 -0.41 -5.01 105.19 103.29 1q82 n GLY 109 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1q82 n GLY 109 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q82 n GLU 110 N -2.00 1.59 0.03 1.61 1.02 0.28 -4.90 120.64 118.28 1q82 n GLU 110 Ca 0.00 0.57 -0.12 0.00 -0.02 0.00 0.00 57.16 57.59 1q82 n GLU 110 Cb 0.00 -2.16 -0.14 0.00 -0.02 0.00 0.00 31.44 29.12 1q82 n GLU 110 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1q82 h LYS 111 N 1.82 0.11 -5.71 3.49 1.57 -1.95 -3.25 116.57 112.64 1q82 h LYS 111 Ca -0.45 -0.19 -0.59 0.00 -1.87 0.00 0.00 60.65 57.54 1q82 h LYS 111 Cb 1.32 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 33.61 1q82 h LYS 111 CO 0.58 0.87 0.25 0.00 -0.57 0.00 0.00 179.45 180.59 1q82 s ALA 112 N -2.62 3.57 0.35 3.86 0.00 -1.26 -4.87 121.76 120.79 1q82 s ALA 112 Ca -0.07 -0.21 -0.28 0.00 0.00 0.00 0.00 51.96 51.40 1q82 s ALA 112 Cb 0.08 -3.10 -0.11 0.00 0.00 0.00 0.00 23.12 19.99 1q82 s ALA 112 CO 0.83 -0.70 1.39 -2.14 0.00 0.00 0.00 175.76 175.15 1q82 s PRO 113 N 2.26 4.24 -0.11 0.00 0.02 -1.26 -4.80 135.00 135.34 1q82 s PRO 113 Ca 0.31 2.39 -0.06 0.00 0.02 0.00 0.00 61.00 63.66 1q82 s PRO 113 Cb -0.16 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.30 1q82 s PRO 113 CO 0.10 -0.35 0.10 1.03 -0.33 0.00 0.00 177.00 177.54 1q82 s ARG 114 N -1.90 3.34 0.17 5.54 0.52 -0.22 -4.95 118.95 121.44 1q82 s ARG 114 Ca 0.51 -0.22 -0.09 0.00 -0.52 0.00 0.00 55.73 55.41 1q82 s ARG 114 Cb -0.43 -3.08 -0.01 0.00 0.52 0.00 0.00 34.95 31.95 1q82 s ARG 114 CO 0.57 0.73 0.29 -0.98 0.02 0.00 0.00 175.30 175.94 1q82 s ARG 115 N -0.92 1.18 0.01 3.54 1.70 -1.26 -0.19 118.95 123.00 1q82 s ARG 115 Ca 0.14 -1.18 -0.17 0.00 -0.47 0.00 0.00 55.73 54.05 1q82 s ARG 115 Cb -0.12 0.38 0.03 0.00 -0.57 0.00 0.00 34.95 34.67 1q82 s ARG 115 CO 0.03 -0.43 0.38 -0.08 -1.08 0.00 0.00 175.30 174.12 1q82 s THR 116 N -3.97 0.05 -0.12 4.99 -1.32 -1.12 -5.05 115.64 109.11 1q82 s THR 116 Ca 0.18 -0.44 -0.09 0.00 -1.21 0.00 0.00 61.69 60.12 1q82 s THR 116 Cb 0.03 -0.80 -0.04 0.00 -1.51 0.00 0.00 72.50 70.18 1q82 s THR 116 CO 0.01 -0.24 0.19 -0.89 -2.21 0.00 0.00 174.62 171.47 1q82 s THR 117 N -1.79 5.40 0.36 5.08 2.01 -1.26 -2.63 115.64 122.81 1q82 s THR 117 Ca -0.10 0.33 -0.27 0.00 0.31 0.00 0.00 61.69 61.96 1q82 s THR 117 Cb -0.03 -3.48 -0.09 0.00 0.01 0.00 0.00 72.50 68.91 1q82 s THR 117 CO 0.02 0.56 1.19 -0.63 -0.69 0.00 0.00 174.62 175.07 1q82 s ILE 118 N -0.66 3.12 -0.13 1.82 1.01 0.11 -4.96 121.20 121.51 1q82 s ILE 118 Ca 0.15 1.02 -0.17 0.00 0.00 0.00 0.00 60.65 61.66 1q82 s ILE 118 Cb -0.13 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1q82 s ILE 118 CO 0.04 0.17 0.41 -1.00 0.00 0.00 0.00 174.94 174.56 1q82 s HIS 119 N -1.29 3.49 0.00 3.97 3.76 -1.26 -4.94 115.29 119.02 1q82 s HIS 119 Ca 0.52 0.78 0.00 0.00 -0.15 0.00 0.00 55.06 56.21 1q82 s HIS 119 Cb -0.33 -2.47 0.00 0.00 1.11 0.00 0.00 32.58 30.89 1q82 s HIS 119 CO 0.43 0.20 0.00 0.41 -0.85 0.00 0.00 174.74 174.92 1q82 n GLY 120 N 3.30 1.31 1.96 -2.22 0.00 -1.26 -2.91 105.19 105.36 1q82 n GLY 120 Ca -0.09 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 1q82 n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q82 n ASP 121 N -2.57 5.93 -4.72 1.61 8.00 -1.26 -4.90 116.55 118.63 1q82 n ASP 121 Ca 0.00 -2.81 -0.38 0.00 0.71 0.00 0.00 54.79 52.30 1q82 n ASP 121 Cb 0.00 -1.20 -0.06 0.00 -0.02 0.00 0.00 41.12 39.85 1q82 n ASP 121 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1q82 s THR 122 N -1.01 5.12 -0.22 -3.53 2.01 -1.15 -4.66 115.64 112.21 1q82 s THR 122 Ca 0.38 1.12 -0.10 0.00 0.31 0.00 0.00 61.69 63.40 1q82 s THR 122 Cb 0.23 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 1q82 s THR 122 CO -0.05 0.31 0.14 -1.81 -0.69 0.00 0.00 174.62 172.52 1q82 s ASP 123 N 0.60 6.12 -0.47 3.53 1.01 0.10 -4.89 116.67 122.68 1q82 s ASP 123 Ca 0.30 0.16 0.01 0.00 0.71 0.00 0.00 52.55 53.73 1q82 s ASP 123 Cb -0.16 -2.09 0.13 0.00 1.01 0.00 0.00 42.92 41.81 1q82 s ASP 123 CO 0.13 0.13 0.24 -0.69 0.21 0.00 0.00 175.17 175.18 1q82 s VAL 124 N 0.69 2.96 -0.21 -1.27 1.01 -1.26 -0.91 120.40 121.41 1q82 s VAL 124 Ca 0.07 -2.67 -0.14 0.00 0.00 0.00 0.00 61.98 59.24 1q82 s VAL 124 Cb -0.12 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1q82 s VAL 124 CO 0.01 -0.74 0.30 -1.61 0.00 0.00 0.00 175.10 173.06 1q82 s GLU 125 N 0.42 4.15 -0.11 2.72 2.02 -0.93 -4.92 118.70 122.05 1q82 s GLU 125 Ca 0.13 0.03 0.01 0.00 0.02 0.00 0.00 54.97 55.16 1q82 s GLU 125 Cb -0.22 -3.52 -0.01 0.00 0.10 0.00 0.00 34.13 30.48 1q82 s GLU 125 CO -0.04 0.04 -0.15 -1.50 0.02 0.00 0.00 175.26 173.62 1q82 s ILE 126 N 1.10 2.85 -0.25 -1.63 2.07 -1.26 -1.00 121.20 123.08 1q82 s ILE 126 Ca 0.15 -0.74 -0.03 0.00 -1.41 0.00 0.00 60.65 58.62 1q82 s ILE 126 Cb -0.14 -2.17 0.08 0.00 0.13 0.00 0.00 42.46 40.36 1q82 s ILE 126 CO 0.06 0.54 0.08 -0.62 -1.91 0.00 0.00 174.94 173.09 1q82 s ASP 127 N 0.20 3.34 1.81 4.50 -1.08 0.16 -5.02 116.67 120.58 1q82 s ASP 127 Ca -0.09 -1.16 0.00 0.00 -0.52 0.00 0.00 52.55 50.78 1q82 s ASP 127 Cb -0.16 -0.57 0.00 0.00 -1.46 0.00 0.00 42.92 40.74 1q82 s ASP 127 CO 0.06 -0.38 0.00 0.61 0.52 0.00 0.00 175.17 175.98 1q82 n GLY 128 N 5.07 3.40 1.58 2.66 0.00 -1.26 -1.61 105.19 115.03 1q82 n GLY 128 Ca -0.06 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.91 1q82 n GLY 128 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q82 n GLU 129 N 13.61 4.02 -4.71 1.61 -0.58 -1.26 -4.87 120.64 128.47 1q82 n GLU 129 Ca 0.00 -2.49 -0.24 0.00 -0.42 0.00 0.00 57.16 54.01 1q82 n GLU 129 Cb 0.00 -2.08 -0.16 0.00 -0.57 0.00 0.00 31.44 28.63 1q82 n GLU 129 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1q82 s GLU 130 N -2.34 1.53 0.10 3.49 2.02 -0.64 -2.27 118.70 120.60 1q82 s GLU 130 Ca 0.43 -0.52 0.10 0.00 0.02 0.00 0.00 54.97 55.00 1q82 s GLU 130 Cb 0.32 -1.36 -0.04 0.00 0.10 0.00 0.00 34.13 33.16 1q82 s GLU 130 CO 0.13 0.21 -0.24 -0.51 0.02 0.00 0.00 175.26 174.87 1q82 s LEU 131 N 0.07 2.28 -0.21 1.80 1.43 0.56 -0.66 118.68 123.95 1q82 s LEU 131 Ca -0.03 -0.69 -0.03 0.00 -1.03 0.00 0.00 54.13 52.34 1q82 s LEU 131 Cb -0.10 -1.10 0.07 0.00 0.03 0.00 0.00 46.19 45.08 1q82 s LEU 131 CO 0.02 0.15 0.06 0.28 0.23 0.00 0.00 176.35 177.09 1q82 s THR 132 N -1.04 0.32 -0.17 5.49 -1.32 -0.17 -0.07 115.64 118.68 1q82 s THR 132 Ca 0.11 -0.53 -0.18 0.00 -1.21 0.00 0.00 61.69 59.88 1q82 s THR 132 Cb -0.10 -0.95 -0.04 0.00 -1.51 0.00 0.00 72.50 69.91 1q82 s THR 132 CO 0.05 -0.32 0.47 -0.69 -2.21 0.00 0.00 174.62 171.92 1q82 s VAL 133 N 1.94 5.16 0.02 5.08 1.01 0.23 -2.18 120.40 131.66 1q82 s VAL 133 Ca 0.02 0.90 -0.11 0.00 0.00 0.00 0.00 61.98 62.78 1q82 s VAL 133 Cb -0.17 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.42 1q82 s VAL 133 CO -0.12 0.26 0.24 -0.94 0.00 0.00 0.00 175.10 174.53 1q82 s SER 134 N 0.89 -0.06 0.00 3.32 1.04 -0.09 0.62 113.70 119.42 1q82 s SER 134 Ca 0.24 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1q82 s SER 134 Cb -0.15 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1q82 s SER 134 CO 0.09 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.43 1q82 n GLY 135 N 1.00 -0.36 0.10 7.32 0.00 -0.29 0.03 105.19 112.98 1q82 n GLY 135 Ca -0.20 -0.99 -0.01 0.00 0.00 0.00 0.00 46.02 44.81 1q82 n GLY 135 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q82 h PRO 136 N 0.00 0.00 -5.19 1.61 0.13 -1.83 -0.67 132.00 126.05 1q82 h PRO 136 Ca 0.00 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.47 1q82 h PRO 136 Cb 0.00 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 30.97 1q82 h PRO 136 CO 0.00 0.45 0.34 0.34 -0.23 0.00 0.00 178.00 178.90 1q82 s ASP 137 N -6.10 6.20 0.45 1.44 -1.08 -1.26 -4.27 116.67 112.06 1q82 s ASP 137 Ca -0.01 -1.03 0.12 0.00 -0.52 0.00 0.00 52.55 51.11 1q82 s ASP 137 Cb 0.08 -2.37 1.04 0.00 -1.46 0.00 0.00 42.92 40.22 1q82 s ASP 137 CO 0.80 -1.23 2.05 -0.29 0.52 0.00 0.00 175.17 177.02 1q82 h ILE 138 N 5.95 1.00 0.17 4.11 2.10 -1.87 -0.98 117.51 127.98 1q82 h ILE 138 Ca -0.28 -0.12 -0.01 0.00 1.08 0.00 0.00 64.86 65.53 1q82 h ILE 138 Cb 1.08 0.61 0.00 0.00 -1.09 0.00 0.00 36.82 37.42 1q82 h ILE 138 CO 1.11 0.06 -0.08 -0.33 -1.08 0.00 0.00 178.15 177.84 1q82 h GLU 139 N 0.35 -0.22 -0.05 2.19 4.39 -1.99 0.69 114.58 119.95 1q82 h GLU 139 Ca 0.16 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1q82 h GLU 139 Cb 0.20 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1q82 h GLU 139 CO -0.04 -0.14 0.01 0.00 -1.16 0.00 0.00 179.01 177.68 1q82 h ALA 140 N 0.60 0.06 -0.18 3.43 0.00 -1.70 -2.64 119.26 118.83 1q82 h ALA 140 Ca -0.02 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1q82 h ALA 140 Cb 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1q82 h ALA 140 CO 0.04 -0.30 0.08 0.28 0.00 0.00 0.00 179.25 179.34 1q82 h VAL 141 N -0.17 0.98 -0.64 0.00 2.07 -1.17 -0.80 116.25 116.53 1q82 h VAL 141 Ca 0.01 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.55 1q82 h VAL 141 Cb 0.27 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1q82 h VAL 141 CO 0.00 0.03 0.42 1.23 0.02 0.00 0.00 177.57 179.28 1q82 h GLY 142 N 0.17 0.76 0.63 2.17 0.00 -0.85 -1.49 103.07 104.45 1q82 h GLY 142 Ca 0.07 -0.23 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 1q82 h GLY 142 CO -0.06 0.16 -0.45 1.46 0.00 0.00 0.00 176.54 177.66 1q82 h GLN 143 N 0.58 0.30 -0.87 4.80 1.08 -1.06 -2.00 115.11 117.94 1q82 h GLN 143 Ca 0.28 -0.32 0.10 0.00 -1.45 0.00 0.00 58.65 57.26 1q82 h GLN 143 Cb 0.36 0.09 -0.07 0.00 -0.05 0.00 0.00 27.48 27.81 1q82 h GLN 143 CO -0.09 1.03 0.51 1.15 -0.95 0.00 0.00 178.83 180.48 1q82 h THR 144 N -0.30 0.93 0.25 -0.54 2.02 -0.78 1.53 112.91 116.01 1q82 h THR 144 Ca -0.06 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1q82 h THR 144 Cb 1.19 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1q82 h THR 144 CO 0.09 0.16 -0.12 0.00 0.37 0.00 0.00 175.52 176.01 1q82 h ALA 145 N 1.47 -0.34 0.07 6.16 0.00 -1.32 -1.68 119.26 123.61 1q82 h ALA 145 Ca 0.42 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1q82 h ALA 145 Cb 0.37 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1q82 h ALA 145 CO -0.24 -0.60 -0.28 0.00 0.00 0.00 0.00 179.25 178.13 1q82 h ALA 146 N 0.18 -0.43 -0.75 0.00 0.00 -0.48 -1.72 119.26 116.04 1q82 h ALA 146 Ca -0.03 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.00 1q82 h ALA 146 Cb 0.39 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 18.54 1q82 h ALA 146 CO 0.06 -0.80 0.25 -0.44 0.00 0.00 0.00 179.25 178.32 1q82 h ASP 147 N -0.46 0.16 -0.29 0.00 3.32 0.22 0.30 116.42 119.67 1q82 h ASP 147 Ca 0.04 0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.27 1q82 h ASP 147 Cb 0.51 0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.16 1q82 h ASP 147 CO -0.19 0.03 0.05 0.40 -1.72 0.00 0.00 179.24 177.81 1q82 h ILE 148 N 0.36 0.85 -0.30 0.35 2.04 -0.58 0.42 117.51 120.65 1q82 h ILE 148 Ca 0.42 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 66.21 1q82 h ILE 148 Cb 0.70 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1q82 h ILE 148 CO -0.46 0.03 0.10 -0.08 0.00 0.00 0.00 178.15 177.74 1q82 h GLU 149 N 0.16 0.45 -0.34 2.37 4.81 -0.07 -2.57 114.58 119.39 1q82 h GLU 149 Ca 0.14 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1q82 h GLU 149 Cb 0.15 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1q82 h GLU 149 CO -0.19 0.50 0.23 1.96 -0.73 0.00 0.00 179.01 180.78 1q82 h GLN 150 N 0.32 0.45 -0.52 1.92 1.08 0.20 -2.35 115.11 116.22 1q82 h GLN 150 Ca 0.10 -0.03 0.15 0.00 -1.45 0.00 0.00 58.65 57.42 1q82 h GLN 150 Cb 0.22 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 1q82 h GLN 150 CO -0.00 0.30 0.61 1.25 -0.95 0.00 0.00 178.83 180.03 1q82 h LEU 151 N 0.46 0.00 -3.56 1.46 5.85 0.25 0.51 115.31 120.28 1q82 h LEU 151 Ca 0.13 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.63 1q82 h LEU 151 Cb -0.05 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 40.85 1q82 h LEU 151 CO -0.03 0.00 0.17 0.35 -0.34 0.00 0.00 178.44 178.59 1q82 n THR 152 N -3.55 2.73 -2.05 1.05 -2.24 -0.88 -4.96 114.28 104.38 1q82 n THR 152 Ca 0.10 -2.10 -0.38 0.00 -2.27 0.00 0.00 64.05 59.41 1q82 n THR 152 Cb 0.80 -0.35 0.01 0.00 -2.10 0.00 0.00 70.33 68.70 1q82 n THR 152 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1q82 s ARG 153 N -3.10 3.53 -0.03 -0.78 3.52 0.18 -4.86 118.95 117.42 1q82 s ARG 153 Ca 0.50 1.99 -0.01 0.00 -0.13 0.00 0.00 55.73 58.08 1q82 s ARG 153 Cb 0.42 -2.38 0.03 0.00 -1.56 0.00 0.00 34.95 31.46 1q82 s ARG 153 CO 0.08 -0.80 0.04 -1.50 -0.81 0.00 0.00 175.30 172.30 1q82 s ILE 154 N -1.42 -0.05 -0.06 4.11 2.07 -1.26 -5.02 121.20 119.57 1q82 s ILE 154 Ca 0.66 0.26 0.05 0.00 -1.41 0.00 0.00 60.65 60.21 1q82 s ILE 154 Cb -0.34 -0.12 -0.07 0.00 0.13 0.00 0.00 42.46 42.06 1q82 s ILE 154 CO 0.41 0.12 0.01 0.59 -1.91 0.00 0.00 174.94 174.16 1q82 n ASN 155 N 4.50 3.55 -0.18 4.50 3.02 -1.26 -4.73 115.26 124.65 1q82 n ASN 155 Ca -0.21 -0.01 -0.02 0.00 -0.03 0.00 0.00 54.58 54.32 1q82 n ASN 155 Cb 0.50 0.54 0.08 0.00 -0.61 0.00 0.00 39.78 40.29 1q82 n ASN 155 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1q82 h ASP 156 N 0.00 0.26 -2.01 6.41 2.03 -2.05 -3.45 116.42 117.60 1q82 h ASP 156 Ca -0.16 0.06 -0.61 0.00 -0.73 0.00 0.00 57.03 55.59 1q82 h ASP 156 Cb 1.34 0.03 -0.14 0.00 -0.83 0.00 0.00 39.33 39.74 1q82 h ASP 156 CO 0.00 0.17 -0.67 -0.54 -1.03 0.00 0.00 179.24 177.17 1q82 s LYS 157 N -6.11 1.81 -0.25 4.15 1.02 -1.26 -5.08 119.74 114.01 1q82 s LYS 157 Ca -0.13 -1.94 -0.34 0.00 0.02 0.00 0.00 55.97 53.59 1q82 s LYS 157 Cb 0.16 -1.64 -0.10 0.00 -0.52 0.00 0.00 37.83 35.72 1q82 s LYS 157 CO 0.74 0.11 2.10 -3.47 -0.92 0.00 0.00 175.35 173.91 1q82 n ASP 158 N -0.79 2.71 0.22 2.83 -0.08 -1.26 -4.85 116.55 115.32 1q82 n ASP 158 Ca -0.05 0.54 0.07 0.00 -1.51 0.00 0.00 54.79 53.83 1q82 n ASP 158 Cb 0.64 -1.35 0.49 0.00 2.34 0.00 0.00 41.12 43.24 1q82 n ASP 158 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1q82 h VAL 159 N 6.62 0.91 0.00 5.18 2.07 -1.89 -1.29 116.25 127.86 1q82 h VAL 159 Ca -0.36 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.10 1q82 h VAL 159 Cb 1.29 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1q82 h VAL 159 CO 0.99 0.27 -0.09 0.03 0.02 0.00 0.00 177.57 178.79 1q82 h ARG 160 N 0.00 0.00 0.01 1.57 3.08 -2.01 -3.10 114.38 113.93 1q82 h ARG 160 Ca -0.00 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.66 1q82 h ARG 160 Cb 0.59 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.57 1q82 h ARG 160 CO 0.04 0.09 -2.44 0.28 -1.07 0.00 0.00 179.97 176.86 1q82 n VAL 161 N -3.85 1.52 -3.43 2.04 0.31 -0.90 -4.70 118.33 109.32 1q82 n VAL 161 Ca -0.02 -0.57 -0.44 0.00 -0.01 0.00 0.00 64.34 63.30 1q82 n VAL 161 Cb 0.18 -1.45 -0.03 0.00 -0.91 0.00 0.00 33.84 31.63 1q82 n VAL 161 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1q82 s PHE 162 N -2.52 3.87 -2.22 3.52 0.40 -0.54 -4.85 117.98 115.64 1q82 s PHE 162 Ca -0.34 -2.42 0.21 0.00 -0.60 0.00 0.00 56.93 53.78 1q82 s PHE 162 Cb 0.09 -3.66 0.53 0.00 0.51 0.00 0.00 43.02 40.49 1q82 s PHE 162 CO 0.61 -0.93 1.45 1.04 0.70 0.00 0.00 175.22 178.10 1q82 n GLN 163 N 3.34 2.38 -1.00 0.44 6.02 -1.23 -4.57 117.38 122.76 1q82 n GLN 163 Ca 0.17 -2.12 -0.33 0.00 -0.01 0.00 0.00 57.00 54.71 1q82 n GLN 163 Cb 0.42 -1.49 0.14 0.00 1.02 0.00 0.00 30.24 30.34 1q82 n GLN 163 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1q82 n ASP 164 N 1.26 0.85 0.00 1.08 9.92 -1.26 -4.88 116.55 123.52 1q82 n ASP 164 Ca 0.20 0.55 0.00 0.00 -0.53 0.00 0.00 54.79 55.00 1q82 n ASP 164 Cb 0.53 -1.50 0.00 0.00 -0.64 0.00 0.00 41.12 39.51 1q82 n ASP 164 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1q82 n GLY 165 N 0.49 2.34 3.75 0.44 0.00 -0.10 -4.99 105.19 107.11 1q82 n GLY 165 Ca 0.13 -1.88 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 1q82 n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q82 s VAL 166 N -1.64 4.74 0.10 1.61 1.01 -1.26 -1.64 120.40 123.33 1q82 s VAL 166 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 61.95 1q82 s VAL 166 Cb 0.00 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1q82 s VAL 166 CO 0.00 0.60 -0.13 -0.31 0.00 0.00 0.00 175.10 175.26 1q82 s TYR 167 N -0.86 1.28 -0.11 5.22 1.51 -0.86 -4.31 117.35 119.21 1q82 s TYR 167 Ca 0.13 -0.55 -0.30 0.00 -1.01 0.00 0.00 57.07 55.35 1q82 s TYR 167 Cb -0.12 -0.69 -0.03 0.00 -0.11 0.00 0.00 41.96 41.02 1q82 s TYR 167 CO 0.03 0.09 1.30 0.42 -1.11 0.00 0.00 175.55 176.28 1q82 s ILE 168 N -1.94 4.14 -0.23 2.71 -1.09 -1.26 -1.03 121.20 122.50 1q82 s ILE 168 Ca 0.05 1.42 0.02 0.00 -2.23 0.00 0.00 60.65 59.91 1q82 s ILE 168 Cb -0.06 -3.91 -0.19 0.00 -1.58 0.00 0.00 42.46 36.72 1q82 s ILE 168 CO 0.02 -0.09 -0.11 0.41 -1.23 0.00 0.00 174.94 173.94 1q82 n THR 169 N 5.14 1.53 -4.14 2.92 -1.04 0.49 -4.93 114.28 114.25 1q82 n THR 169 Ca 0.14 -0.60 -0.21 0.00 -2.04 0.00 0.00 64.05 61.33 1q82 n THR 169 Cb 0.45 -1.41 -0.17 0.00 -1.82 0.00 0.00 70.33 67.38 1q82 n THR 169 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1q82 s ARG 170 N -2.53 0.96 -0.13 -2.82 0.52 -0.88 -4.95 118.95 109.13 1q82 s ARG 170 Ca -0.31 -0.13 -0.06 0.00 -0.52 0.00 0.00 55.73 54.72 1q82 s ARG 170 Cb 0.08 -0.98 -0.04 0.00 0.52 0.00 0.00 34.95 34.54 1q82 s ARG 170 CO 0.64 -0.11 0.08 0.15 0.02 0.00 0.00 175.30 176.08 1q82 s LYS 171 N 1.08 3.44 0.00 3.54 1.02 -1.26 -1.64 119.74 125.92 1q82 s LYS 171 Ca -0.08 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 55.63 1q82 s LYS 171 Cb -0.14 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 1q82 s LYS 171 CO -0.01 0.62 0.49 -0.35 -0.92 0.00 0.00 175.35 175.19