#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 s ARG 2 N 0.00 0.57 0.00 -0.52 3.52 -1.26 -2.23 118.95 119.04 1q86 s ARG 2 Ca 0.00 0.94 0.06 0.00 -0.13 0.00 0.00 55.73 56.59 1q86 s ARG 2 Cb 0.00 0.14 -0.02 0.00 -1.56 0.00 0.00 34.95 33.52 1q86 s ARG 2 CO 0.00 -0.11 -0.18 0.14 -0.81 0.00 0.00 175.30 174.34 1q86 s VAL 3 N 1.32 1.42 -0.14 7.11 -7.23 -0.28 -5.01 120.40 117.59 1q86 s VAL 3 Ca -0.08 -0.87 0.02 0.00 -1.81 0.00 0.00 61.98 59.24 1q86 s VAL 3 Cb -0.04 -1.20 0.01 0.00 0.56 0.00 0.00 36.38 35.70 1q86 s VAL 3 CO -0.15 0.32 -0.21 -1.61 -0.31 0.00 0.00 175.10 173.14 1q86 s GLU 4 N -0.65 3.07 -0.43 4.82 2.02 -1.26 -1.95 118.70 124.32 1q86 s GLU 4 Ca 0.06 -0.83 -0.07 0.00 0.02 0.00 0.00 54.97 54.15 1q86 s GLU 4 Cb -0.07 -2.46 0.10 0.00 0.10 0.00 0.00 34.13 31.79 1q86 s GLU 4 CO 0.00 0.01 0.26 -0.51 0.02 0.00 0.00 175.26 175.04 1q86 s LEU 5 N 0.76 5.27 -0.16 1.80 1.43 -0.22 -4.93 118.68 122.62 1q86 s LEU 5 Ca -0.08 -1.73 -0.29 0.00 -1.03 0.00 0.00 54.13 51.00 1q86 s LEU 5 Cb -0.16 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1q86 s LEU 5 CO -0.00 -0.57 1.80 -1.61 0.23 0.00 0.00 176.35 176.19 1q86 s GLU 6 N 1.33 3.77 0.21 1.70 2.02 -1.26 -1.41 118.70 125.07 1q86 s GLU 6 Ca 0.04 1.95 -0.30 0.00 0.02 0.00 0.00 54.97 56.69 1q86 s GLU 6 Cb -0.24 -4.12 -0.08 0.00 0.10 0.00 0.00 34.13 29.79 1q86 s GLU 6 CO -0.00 -1.34 1.17 -1.50 0.02 0.00 0.00 175.26 173.60 1q86 s ILE 7 N 5.54 3.53 0.44 -1.63 2.07 -0.60 -4.98 121.20 125.58 1q86 s ILE 7 Ca 0.80 1.36 -0.24 0.00 -1.41 0.00 0.00 60.65 61.16 1q86 s ILE 7 Cb -0.30 -3.87 -0.10 0.00 0.13 0.00 0.00 42.46 38.32 1q86 s ILE 7 CO 0.33 0.25 1.09 -2.65 -1.91 0.00 0.00 174.94 172.05 1q86 n PRO 8 N 2.09 1.48 0.10 3.50 -0.02 -1.26 -4.87 135.00 136.03 1q86 n PRO 8 Ca 0.03 0.53 0.16 0.00 -2.02 0.00 0.00 63.50 62.20 1q86 n PRO 8 Cb 0.45 -2.17 0.68 0.00 -0.02 0.00 0.00 33.50 32.44 1q86 n PRO 8 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1q86 h GLU 9 N 1.60 0.00 0.00 -0.52 4.11 -1.99 0.17 114.58 117.94 1q86 h GLU 9 Ca -0.46 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.93 1q86 h GLU 9 Cb 1.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 1q86 h GLU 9 CO 0.57 0.00 -0.20 0.22 0.07 0.00 0.00 179.01 179.67 1q86 h ASP 10 N 0.00 0.00 -2.34 3.06 1.82 -1.98 -3.46 116.42 113.52 1q86 h ASP 10 Ca 0.16 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 56.27 1q86 h ASP 10 Cb 0.64 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.59 1q86 h ASP 10 CO -0.00 0.20 -0.55 -0.69 -1.61 0.00 0.00 179.24 176.59 1q86 s VAL 11 N -3.79 4.38 -0.08 2.25 1.01 0.59 -4.54 120.40 120.23 1q86 s VAL 11 Ca -0.00 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.62 1q86 s VAL 11 Cb 0.11 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 33.18 1q86 s VAL 11 CO 0.62 -0.29 -0.06 -1.81 0.00 0.00 0.00 175.10 173.57 1q86 s ASP 12 N -3.63 1.65 -0.17 3.32 1.01 -0.90 -4.76 116.67 113.19 1q86 s ASP 12 Ca 0.32 -0.20 -0.00 0.00 0.71 0.00 0.00 52.55 53.38 1q86 s ASP 12 Cb -0.08 -0.64 0.04 0.00 1.01 0.00 0.00 42.92 43.25 1q86 s ASP 12 CO 0.24 -0.10 -0.07 0.00 0.21 0.00 0.00 175.17 175.46 1q86 s ALA 13 N 1.39 1.62 0.20 5.23 0.00 -1.26 -0.71 121.76 128.23 1q86 s ALA 13 Ca -0.02 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.10 1q86 s ALA 13 Cb -0.13 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 1q86 s ALA 13 CO -0.03 -0.77 -0.02 -2.00 0.00 0.00 0.00 175.76 172.93 1q86 s GLU 14 N 1.57 2.29 -0.26 0.00 2.12 -0.16 -4.91 118.70 119.35 1q86 s GLU 14 Ca 0.00 -1.23 -0.15 0.00 0.36 0.00 0.00 54.97 53.95 1q86 s GLU 14 Cb -0.15 -2.26 0.07 0.00 0.26 0.00 0.00 34.13 32.06 1q86 s GLU 14 CO -0.08 0.43 0.63 -1.14 -0.54 0.00 0.00 175.26 174.56 1q86 s GLN 15 N -3.11 0.65 -0.09 4.30 -0.44 -1.26 -0.16 119.66 119.55 1q86 s GLN 15 Ca 0.28 1.12 0.02 0.00 -2.50 0.00 0.00 55.36 54.27 1q86 s GLN 15 Cb -0.08 0.13 0.02 0.00 -1.64 0.00 0.00 33.01 31.43 1q86 s GLN 15 CO 0.18 -0.15 -0.12 0.16 0.50 0.00 0.00 175.29 175.86 1q86 s ASP 16 N 1.48 2.01 1.54 6.67 -4.77 -1.00 -4.90 116.67 117.71 1q86 s ASP 16 Ca -0.09 -0.33 0.00 0.00 -3.30 0.00 0.00 52.55 48.83 1q86 s ASP 16 Cb -0.06 -0.89 0.00 0.00 -1.09 0.00 0.00 42.92 40.89 1q86 s ASP 16 CO -0.17 -0.00 0.00 1.41 0.70 0.00 0.00 175.17 177.11 1q86 n HIS 17 N 4.14 0.00 -0.22 2.11 8.25 -1.26 -2.56 115.22 125.68 1q86 n HIS 17 Ca -0.20 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.37 1q86 n HIS 17 Cb 0.51 0.00 0.28 0.00 1.12 0.00 0.00 29.99 31.90 1q86 n HIS 17 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1q86 n LEU 18 N 0.00 3.74 -4.57 2.41 4.77 -1.26 -4.93 117.00 117.16 1q86 n LEU 18 Ca 0.00 -1.90 -0.34 0.00 -0.03 0.00 0.00 56.01 53.74 1q86 n LEU 18 Cb 0.00 -0.41 -0.11 0.00 -2.33 0.00 0.00 43.42 40.57 1q86 n LEU 18 CO 0.00 0.91 -0.31 -1.81 -1.33 0.00 0.00 177.39 174.85 1q86 s ASP 19 N -1.08 5.13 -0.05 -1.43 1.01 -1.06 -0.33 116.67 118.86 1q86 s ASP 19 Ca 0.44 -0.01 0.06 0.00 0.71 0.00 0.00 52.55 53.74 1q86 s ASP 19 Cb 0.23 -1.78 -0.02 0.00 1.01 0.00 0.00 42.92 42.36 1q86 s ASP 19 CO 0.31 0.21 -0.23 -0.63 0.21 0.00 0.00 175.17 175.04 1q86 s ILE 20 N 0.14 2.30 -0.05 0.77 1.01 0.70 -2.36 121.20 123.70 1q86 s ILE 20 Ca 0.01 -1.00 0.05 0.00 0.00 0.00 0.00 60.65 59.72 1q86 s ILE 20 Cb -0.13 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 1q86 s ILE 20 CO 0.02 0.57 -0.21 -0.89 0.00 0.00 0.00 174.94 174.43 1q86 s THR 21 N -0.39 1.73 -0.12 2.92 2.01 0.77 -0.21 115.64 122.35 1q86 s THR 21 Ca 0.03 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.16 1q86 s THR 21 Cb -0.12 -1.48 0.02 0.00 0.01 0.00 0.00 72.50 70.93 1q86 s THR 21 CO 0.02 0.49 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.59 1q86 s VAL 22 N -0.03 1.55 -0.04 3.82 1.01 0.11 -0.99 120.40 125.82 1q86 s VAL 22 Ca -0.04 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.34 1q86 s VAL 22 Cb -0.13 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 1q86 s VAL 22 CO 0.03 0.45 -0.24 -1.61 0.00 0.00 0.00 175.10 173.73 1q86 s GLU 23 N 1.09 2.22 0.29 2.72 2.02 0.11 0.11 118.70 127.25 1q86 s GLU 23 Ca -0.04 -0.87 -0.04 0.00 0.02 0.00 0.00 54.97 54.04 1q86 s GLU 23 Cb -0.14 -2.00 -0.01 0.00 0.10 0.00 0.00 34.13 32.08 1q86 s GLU 23 CO -0.04 0.44 0.39 0.20 0.02 0.00 0.00 175.26 176.28 1q86 s GLY 24 N -0.35 1.30 0.64 -1.39 0.00 0.29 -2.11 107.32 105.69 1q86 s GLY 24 Ca 0.03 -1.43 0.32 0.00 0.00 0.00 0.00 44.72 43.64 1q86 s GLY 24 CO 0.01 -1.02 2.05 -0.55 0.00 0.00 0.00 173.10 173.59 1q86 h ASP 25 N 2.25 0.00 0.81 1.64 3.32 -1.73 0.17 116.42 122.88 1q86 h ASP 25 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1q86 h ASP 25 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1q86 h ASP 25 CO 0.40 0.00 -0.79 -1.13 -1.72 0.00 0.00 179.24 176.01 1q86 h ASN 26 N 0.00 0.00 0.00 6.45 -1.24 -0.89 -3.50 115.58 116.40 1q86 h ASN 26 Ca 0.05 -0.20 0.00 0.00 0.71 0.00 0.00 56.30 56.86 1q86 h ASN 26 Cb 0.56 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.61 1q86 h ASN 26 CO -0.00 0.10 0.00 0.61 -1.29 0.00 0.00 177.43 176.85 1q86 n GLY 27 N 1.31 0.07 2.89 1.57 0.00 0.59 -4.77 105.19 106.85 1q86 n GLY 27 Ca 0.02 -1.36 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 1q86 n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q86 s SER 28 N -4.00 0.14 -0.03 1.61 1.04 -1.26 0.10 113.70 111.30 1q86 s SER 28 Ca 0.00 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1q86 s SER 28 Cb 0.00 -0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.13 1q86 s SER 28 CO 0.00 0.01 0.01 -0.69 0.98 0.00 0.00 173.24 173.55 1q86 s VAL 29 N -0.03 0.15 -0.07 5.02 1.01 0.12 -4.87 120.40 121.72 1q86 s VAL 29 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1q86 s VAL 29 Cb -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 1q86 s VAL 29 CO -0.00 0.15 -0.17 -0.89 0.00 0.00 0.00 175.10 174.19 1q86 s THR 30 N 1.15 2.76 0.08 3.92 2.01 -1.26 0.06 115.64 124.37 1q86 s THR 30 Ca -0.08 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.11 1q86 s THR 30 Cb -0.13 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1q86 s THR 30 CO -0.02 0.57 -0.05 -0.13 -0.69 0.00 0.00 174.62 174.30 1q86 s ARG 31 N -0.30 0.74 -0.19 4.92 0.52 0.71 -4.96 118.95 120.38 1q86 s ARG 31 Ca 0.02 -1.29 -0.06 0.00 -0.52 0.00 0.00 55.73 53.88 1q86 s ARG 31 Cb -0.13 -0.00 -0.03 0.00 0.52 0.00 0.00 34.95 35.31 1q86 s ARG 31 CO 0.03 -0.07 0.02 0.50 0.02 0.00 0.00 175.30 175.79 1q86 s ARG 32 N -3.88 3.73 -0.54 3.54 3.52 -1.26 -0.21 118.95 123.85 1q86 s ARG 32 Ca 0.10 -0.47 0.04 0.00 -0.13 0.00 0.00 55.73 55.27 1q86 s ARG 32 Cb 0.07 -3.10 0.14 0.00 -1.56 0.00 0.00 34.95 30.49 1q86 s ARG 32 CO -0.07 0.12 0.29 -0.51 -0.81 0.00 0.00 175.30 174.32 1q86 s LEU 33 N 0.73 4.34 -0.25 -0.88 1.43 0.55 -5.00 118.68 119.60 1q86 s LEU 33 Ca 0.01 -3.12 -0.00 0.00 -1.03 0.00 0.00 54.13 49.98 1q86 s LEU 33 Cb -0.14 -1.63 0.04 0.00 0.03 0.00 0.00 46.19 44.49 1q86 s LEU 33 CO 0.02 -0.21 -0.07 0.86 0.23 0.00 0.00 176.35 177.18 1q86 s TRP 34 N -0.44 3.11 -0.05 0.29 -0.00 -1.26 -4.87 118.94 115.72 1q86 s TRP 34 Ca 0.18 -1.77 -0.12 0.00 -0.00 0.00 0.00 56.10 54.39 1q86 s TRP 34 Cb -0.23 -2.03 0.02 0.00 -0.00 0.00 0.00 33.47 31.23 1q86 s TRP 34 CO -0.02 -0.78 0.29 -0.47 -0.00 0.00 0.00 176.95 175.97 1q86 s TYR 35 N 1.27 -0.22 -0.09 5.86 5.04 -1.26 -5.11 117.35 122.83 1q86 s TYR 35 Ca -0.02 0.43 -0.34 0.00 -2.44 0.00 0.00 57.07 54.70 1q86 s TYR 35 Cb -0.17 0.09 -0.12 0.00 0.35 0.00 0.00 41.96 42.11 1q86 s TYR 35 CO -0.05 -0.29 1.89 -2.30 -1.34 0.00 0.00 175.55 173.46 1q86 n PRO 36 N 1.90 2.17 -1.03 4.97 -0.02 -1.26 -2.44 135.00 139.29 1q86 n PRO 36 Ca -0.18 0.80 -0.01 0.00 -2.02 0.00 0.00 63.50 62.08 1q86 n PRO 36 Cb 0.57 -2.65 -0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1q86 n PRO 36 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1q86 n ASP 37 N 6.72 -4.51 -4.54 2.55 8.00 -1.26 -5.01 116.55 118.50 1q86 n ASP 37 Ca 0.23 0.03 -0.36 0.00 0.71 0.00 0.00 54.79 55.39 1q86 n ASP 37 Cb 0.29 -2.11 -0.11 0.00 -0.02 0.00 0.00 41.12 39.17 1q86 n ASP 37 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1q86 s ILE 38 N -1.58 4.75 -0.19 0.53 1.01 -1.02 -4.27 121.20 120.43 1q86 s ILE 38 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.56 1q86 s ILE 38 Cb 0.00 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 1q86 s ILE 38 CO 0.00 0.34 0.03 -1.81 0.00 0.00 0.00 174.94 173.50 1q86 s ASP 39 N 1.34 5.16 -0.13 3.58 1.01 0.06 -4.66 116.67 123.03 1q86 s ASP 39 Ca 0.06 -0.09 -0.02 0.00 0.71 0.00 0.00 52.55 53.21 1q86 s ASP 39 Cb -0.15 -1.88 -0.02 0.00 1.01 0.00 0.00 42.92 41.87 1q86 s ASP 39 CO 0.05 0.11 -0.07 -0.69 0.21 0.00 0.00 175.17 174.78 1q86 s VAL 40 N 0.76 3.63 0.09 -1.27 1.01 -1.25 -1.84 120.40 121.53 1q86 s VAL 40 Ca 0.02 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 1q86 s VAL 40 Cb -0.14 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.70 1q86 s VAL 40 CO 0.02 0.53 0.25 -0.94 0.00 0.00 0.00 175.10 174.95 1q86 s SER 41 N 0.09 0.01 -0.48 3.32 1.04 0.01 -4.96 113.70 112.73 1q86 s SER 41 Ca -0.02 -0.51 -0.11 0.00 0.48 0.00 0.00 55.95 55.79 1q86 s SER 41 Cb -0.14 0.37 0.12 0.00 0.10 0.00 0.00 66.02 66.46 1q86 s SER 41 CO 0.03 -0.73 0.37 -0.69 0.98 0.00 0.00 173.24 173.20 1q86 s VAL 42 N -3.63 4.47 -1.18 5.02 1.01 -1.26 0.87 120.40 125.70 1q86 s VAL 42 Ca 0.03 -1.66 -0.11 0.00 0.00 0.00 0.00 61.98 60.25 1q86 s VAL 42 Cb 0.03 -3.89 0.22 0.00 0.00 0.00 0.00 36.38 32.74 1q86 s VAL 42 CO -0.10 -0.76 1.43 -0.67 0.00 0.00 0.00 175.10 175.00 1q86 n ASP 43 N 4.99 5.42 0.00 3.32 2.03 0.17 -4.91 116.55 127.57 1q86 n ASP 43 Ca -0.10 -3.07 0.00 0.00 0.52 0.00 0.00 54.79 52.15 1q86 n ASP 43 Cb 0.41 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 1q86 n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1q86 n GLY 44 N 3.17 0.38 0.05 0.27 0.00 -1.26 -2.06 105.19 105.74 1q86 n GLY 44 Ca 0.33 0.69 0.10 0.00 0.00 0.00 0.00 46.02 47.14 1q86 n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1q86 n ASP 45 N 2.53 1.04 -4.12 1.61 5.75 -1.26 -4.97 116.55 117.13 1q86 n ASP 45 Ca 0.00 -0.96 -0.15 0.00 -0.01 0.00 0.00 54.79 53.67 1q86 n ASP 45 Cb 0.00 0.85 -0.11 0.00 -1.03 0.00 0.00 41.12 40.83 1q86 n ASP 45 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1q86 s THR 46 N -2.94 0.82 -0.17 2.12 -4.23 -0.88 -1.55 115.64 108.81 1q86 s THR 46 Ca 0.10 -1.27 -0.09 0.00 -1.18 0.00 0.00 61.69 59.25 1q86 s THR 46 Cb 0.16 -0.92 -0.05 0.00 1.34 0.00 0.00 72.50 73.04 1q86 s THR 46 CO 0.82 -0.36 0.12 -0.69 -0.54 0.00 0.00 174.62 173.97 1q86 s VAL 47 N -1.55 5.37 -0.16 2.29 1.01 -0.50 0.44 120.40 127.30 1q86 s VAL 47 Ca -0.04 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 1q86 s VAL 47 Cb -0.09 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1q86 s VAL 47 CO 0.01 0.50 -0.09 -0.69 0.00 0.00 0.00 175.10 174.84 1q86 s VAL 48 N -0.11 3.30 -0.23 2.92 1.01 0.25 -1.06 120.40 126.48 1q86 s VAL 48 Ca 0.10 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1q86 s VAL 48 Cb -0.11 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.85 1q86 s VAL 48 CO 0.00 0.49 -0.09 -0.63 0.00 0.00 0.00 175.10 174.87 1q86 s ILE 49 N 0.71 2.73 0.11 2.22 1.01 -0.82 -0.81 121.20 126.35 1q86 s ILE 49 Ca -0.04 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.53 1q86 s ILE 49 Cb -0.15 -2.34 0.01 0.00 0.01 0.00 0.00 42.46 39.99 1q86 s ILE 49 CO 0.02 0.29 0.27 -1.83 0.00 0.00 0.00 174.94 173.68 1q86 s GLU 50 N 1.33 0.97 0.17 2.79 -1.05 -0.76 -1.12 118.70 121.02 1q86 s GLU 50 Ca 0.01 -0.93 -0.22 0.00 -0.15 0.00 0.00 54.97 53.68 1q86 s GLU 50 Cb -0.16 0.39 0.06 0.00 -0.44 0.00 0.00 34.13 33.98 1q86 s GLU 50 CO -0.06 -0.34 0.59 0.45 0.95 0.00 0.00 175.26 176.84 1q86 s SER 51 N -2.87 -0.48 0.09 0.83 0.15 -0.94 -0.76 113.70 109.71 1q86 s SER 51 Ca 0.07 -0.13 0.24 0.00 0.70 0.00 0.00 55.95 56.83 1q86 s SER 51 Cb 0.04 0.60 0.38 0.00 -1.71 0.00 0.00 66.02 65.32 1q86 s SER 51 CO -0.09 -1.00 1.33 0.47 1.20 0.00 0.00 173.24 175.15 1q86 n ASP 52 N -0.37 0.63 -4.93 5.45 8.00 -1.26 -1.93 116.55 122.15 1q86 n ASP 52 Ca -0.15 0.03 -0.28 0.00 0.71 0.00 0.00 54.79 55.10 1q86 n ASP 52 Cb 0.64 0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.91 1q86 n ASP 52 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1q86 s GLU 53 N -3.13 3.49 -0.06 -1.24 2.02 -1.26 -4.70 118.70 113.81 1q86 s GLU 53 Ca 0.07 -0.42 0.09 0.00 0.02 0.00 0.00 54.97 54.73 1q86 s GLU 53 Cb 0.14 -2.92 0.14 0.00 0.10 0.00 0.00 34.13 31.59 1q86 s GLU 53 CO 0.72 0.49 1.04 -0.40 0.02 0.00 0.00 175.26 177.13 1q86 n ASP 54 N -0.36 1.25 -4.78 -0.19 5.75 -1.26 -4.24 116.55 112.72 1q86 n ASP 54 Ca -0.05 -2.46 -0.37 0.00 -0.01 0.00 0.00 54.79 51.89 1q86 n ASP 54 Cb 0.53 -0.29 -0.03 0.00 -1.03 0.00 0.00 41.12 40.30 1q86 n ASP 54 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1q86 s ASN 55 N -1.84 6.64 0.24 -1.12 2.20 -1.26 -4.70 114.94 115.09 1q86 s ASN 55 Ca 0.15 2.15 0.00 0.00 -0.94 0.00 0.00 52.86 54.22 1q86 s ASN 55 Cb 0.13 -2.60 0.55 0.00 -2.00 0.00 0.00 41.25 37.34 1q86 s ASN 55 CO 0.01 -0.58 1.21 0.00 -2.94 0.00 0.00 177.10 174.80 1q86 n ALA 56 N -0.06 0.36 -0.23 3.54 0.00 -1.26 0.42 120.51 123.29 1q86 n ALA 56 Ca 0.05 0.83 -0.01 0.00 0.00 0.00 0.00 53.44 54.31 1q86 n ALA 56 Cb 0.49 -0.59 0.20 0.00 0.00 0.00 0.00 19.45 19.54 1q86 n ALA 56 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1q86 h LYS 57 N 0.00 1.02 -0.03 0.00 1.57 -2.00 -0.39 116.57 116.75 1q86 h LYS 57 Ca 0.45 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 59.07 1q86 h LYS 57 Cb 0.90 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1q86 h LYS 57 CO -0.74 0.74 -0.20 1.15 -0.57 0.00 0.00 179.45 179.83 1q86 h THR 58 N 1.04 1.49 -0.09 -0.16 2.02 -0.39 -3.07 112.91 113.75 1q86 h THR 58 Ca 0.27 -1.73 0.03 0.00 0.77 0.00 0.00 66.41 65.75 1q86 h THR 58 Cb -0.00 2.52 -0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1q86 h THR 58 CO -0.05 0.48 0.07 0.24 0.37 0.00 0.00 175.52 176.63 1q86 h MET 59 N -0.40 0.00 -0.30 6.66 2.86 -1.05 -0.82 114.93 121.88 1q86 h MET 59 Ca -0.02 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1q86 h MET 59 Cb 0.88 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 1q86 h MET 59 CO 0.04 0.00 0.01 0.77 1.06 0.00 0.00 176.91 178.79 1q86 h SER 60 N 0.00 0.51 -0.15 1.22 0.02 -1.01 -2.80 113.55 111.34 1q86 h SER 60 Ca 0.04 -0.30 -0.09 0.00 -0.84 0.00 0.00 61.79 60.60 1q86 h SER 60 Cb 0.18 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 1q86 h SER 60 CO -0.00 0.68 -0.25 0.74 -1.14 0.00 0.00 176.83 176.86 1q86 h THR 61 N 0.31 1.36 -0.55 -2.27 2.02 -1.15 -2.32 112.91 110.31 1q86 h THR 61 Ca 0.08 -1.49 0.11 0.00 0.77 0.00 0.00 66.41 65.89 1q86 h THR 61 Cb 0.42 1.96 -0.10 0.00 -1.74 0.00 0.00 68.15 68.69 1q86 h THR 61 CO 0.01 0.44 -0.12 0.40 0.37 0.00 0.00 175.52 176.62 1q86 h ILE 62 N 0.05 0.46 -0.58 3.11 2.04 -1.23 0.64 117.51 122.00 1q86 h ILE 62 Ca 0.01 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1q86 h ILE 62 Cb 0.83 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1q86 h ILE 62 CO 0.06 0.00 0.25 1.23 0.00 0.00 0.00 178.15 179.69 1q86 h GLY 63 N 0.01 0.88 1.22 5.37 0.00 -1.48 -1.45 103.07 107.62 1q86 h GLY 63 Ca 0.27 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 47.05 1q86 h GLY 63 CO -0.56 0.40 -0.21 -0.84 0.00 0.00 0.00 176.54 175.33 1q86 h THR 64 N 0.82 1.27 0.02 4.70 2.02 0.02 -2.51 112.91 119.24 1q86 h THR 64 Ca 0.20 -1.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.02 1q86 h THR 64 Cb 0.12 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1q86 h THR 64 CO -0.02 0.46 -0.01 -0.26 0.37 0.00 0.00 175.52 176.06 1q86 h PHE 65 N 0.77 -0.02 -0.03 3.16 0.05 0.60 -1.65 116.94 119.83 1q86 h PHE 65 Ca 0.10 -0.00 0.01 0.00 3.82 0.00 0.00 57.97 61.91 1q86 h PHE 65 Cb 0.76 0.01 -0.03 0.00 2.00 0.00 0.00 35.95 38.69 1q86 h PHE 65 CO 0.04 0.14 -0.28 0.37 -0.18 0.00 0.00 178.31 178.40 1q86 h GLN 66 N -0.18 -0.32 -0.61 1.51 4.15 -1.20 0.56 115.11 119.02 1q86 h GLN 66 Ca -0.00 0.02 0.18 0.00 0.77 0.00 0.00 58.65 59.62 1q86 h GLN 66 Cb 0.17 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1q86 h GLN 66 CO 0.00 -0.21 0.48 0.77 -1.93 0.00 0.00 178.83 177.94 1q86 h SER 67 N -0.33 0.00 0.11 -0.69 0.02 -1.47 0.27 113.55 111.46 1q86 h SER 67 Ca 0.01 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.80 1q86 h SER 67 Cb 0.37 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1q86 h SER 67 CO -0.21 0.00 -0.60 0.45 -1.14 0.00 0.00 176.83 175.33 1q86 h HIS 68 N 0.00 0.63 0.01 3.45 3.86 -0.06 -1.98 115.15 121.05 1q86 h HIS 68 Ca 0.29 -0.24 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1q86 h HIS 68 Cb 1.25 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.61 1q86 h HIS 68 CO 0.00 0.97 -0.10 0.82 0.86 0.00 0.00 177.93 180.47 1q86 h ILE 69 N 0.37 1.65 -0.91 2.45 2.04 0.15 -2.94 117.51 120.31 1q86 h ILE 69 Ca -0.00 -2.04 0.11 0.00 1.00 0.00 0.00 64.86 63.92 1q86 h ILE 69 Cb 1.15 3.01 -0.08 0.00 -0.74 0.00 0.00 36.82 40.15 1q86 h ILE 69 CO 0.11 0.54 0.55 -0.33 0.00 0.00 0.00 178.15 179.02 1q86 h GLU 70 N -0.75 0.87 -0.22 2.37 5.08 -1.02 0.35 114.58 121.26 1q86 h GLU 70 Ca -0.01 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1q86 h GLU 70 Cb 0.94 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1q86 h GLU 70 CO 0.02 0.58 0.15 -0.91 -1.00 0.00 0.00 179.01 177.85 1q86 h ASN 71 N 0.90 0.20 -0.17 1.42 4.21 -1.39 -1.36 115.58 119.38 1q86 h ASN 71 Ca 0.45 -0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.84 1q86 h ASN 71 Cb 0.42 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.57 1q86 h ASN 71 CO -0.25 0.14 -0.31 0.24 -1.29 0.00 0.00 177.43 175.95 1q86 h MET 72 N 0.23 0.51 0.12 0.81 2.86 -0.16 -1.72 114.93 117.58 1q86 h MET 72 Ca 0.09 -0.32 0.01 0.00 -2.06 0.00 0.00 59.70 57.41 1q86 h MET 72 Cb 0.08 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 1q86 h MET 72 CO -0.02 0.93 -0.39 0.74 1.06 0.00 0.00 176.91 179.23 1q86 h PHE 73 N 0.16 -1.13 -0.97 -0.22 0.05 -0.21 -0.40 116.94 114.21 1q86 h PHE 73 Ca 0.01 0.03 0.26 0.00 3.82 0.00 0.00 57.97 62.09 1q86 h PHE 73 Cb 0.90 0.48 -0.06 0.00 2.00 0.00 0.00 35.95 39.27 1q86 h PHE 73 CO 0.09 -0.45 0.67 1.25 -0.18 0.00 0.00 178.31 179.69 1q86 h HIS 74 N -0.58 0.26 -0.21 -0.55 2.76 -1.33 -1.43 115.15 114.07 1q86 h HIS 74 Ca -0.01 0.01 -0.18 0.00 -2.20 0.00 0.00 60.37 57.99 1q86 h HIS 74 Cb 0.57 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.46 1q86 h HIS 74 CO -0.39 0.04 -0.58 0.78 -1.30 0.00 0.00 177.93 176.49 1q86 h GLY 75 N 0.17 0.83 2.00 5.26 0.00 -0.17 1.03 103.07 112.20 1q86 h GLY 75 Ca 0.49 -1.06 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1q86 h GLY 75 CO -0.10 0.95 0.00 3.33 0.00 0.00 0.00 176.54 180.71 1q86 n VAL 76 N -4.07 0.50 0.00 4.60 0.24 -0.39 -2.82 118.33 116.39 1q86 n VAL 76 Ca -0.06 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1q86 n VAL 76 Cb 0.64 -0.72 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 1q86 n VAL 76 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1q86 n THR 77 N -1.88 0.00 0.21 3.34 -2.24 -0.90 -0.30 114.28 112.52 1q86 n THR 77 Ca 0.05 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.89 1q86 n THR 77 Cb 0.32 -0.25 0.48 0.00 -2.10 0.00 0.00 70.33 68.78 1q86 n THR 77 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1q86 h GLU 78 N 0.00 0.00 0.00 -0.78 5.08 -1.52 -3.41 114.58 113.96 1q86 h GLU 78 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1q86 h GLU 78 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1q86 h GLU 78 CO 0.00 0.26 0.00 0.41 -1.00 0.00 0.00 179.01 178.68 1q86 n GLY 79 N -0.68 -2.30 3.10 -3.84 0.00 0.35 -4.96 105.19 96.86 1q86 n GLY 79 Ca -0.02 -1.54 -0.23 0.00 0.00 0.00 0.00 46.02 44.23 1q86 n GLY 79 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1q86 s TRP 80 N -0.77 1.34 -0.02 1.61 0.52 -0.28 -4.62 118.94 116.71 1q86 s TRP 80 Ca 0.00 -0.31 -0.01 0.00 0.02 0.00 0.00 56.10 55.80 1q86 s TRP 80 Cb 0.00 -0.89 0.02 0.00 -1.15 0.00 0.00 33.47 31.45 1q86 s TRP 80 CO 0.00 -0.07 0.05 -1.21 0.02 0.00 0.00 176.95 175.73 1q86 s GLU 81 N -0.14 0.01 0.06 4.98 2.02 -1.25 -1.34 118.70 123.04 1q86 s GLU 81 Ca 0.01 0.14 0.07 0.00 0.02 0.00 0.00 54.97 55.22 1q86 s GLU 81 Cb -0.08 -0.11 -0.03 0.00 0.10 0.00 0.00 34.13 34.01 1q86 s GLU 81 CO 0.00 -0.09 -0.17 0.71 0.02 0.00 0.00 175.26 175.73 1q86 s TYR 82 N 0.57 2.58 -0.07 1.61 1.51 0.18 -3.69 117.35 120.04 1q86 s TYR 82 Ca -0.05 -0.24 0.03 0.00 -1.01 0.00 0.00 57.07 55.80 1q86 s TYR 82 Cb -0.07 -1.45 -0.02 0.00 -0.11 0.00 0.00 41.96 40.32 1q86 s TYR 82 CO -0.02 0.29 -0.16 0.20 -1.11 0.00 0.00 175.55 174.76 1q86 s GLY 83 N -1.61 1.49 0.14 0.71 0.00 -0.57 -0.60 107.32 106.87 1q86 s GLY 83 Ca 0.16 -0.97 0.05 0.00 0.00 0.00 0.00 44.72 43.97 1q86 s GLY 83 CO 0.07 -0.59 -0.13 1.06 0.00 0.00 0.00 173.10 173.52 1q86 s MET 84 N -0.33 1.05 -0.10 2.90 -1.94 0.11 0.22 119.30 121.22 1q86 s MET 84 Ca 0.03 -1.33 -0.00 0.00 -1.71 0.00 0.00 55.69 52.67 1q86 s MET 84 Cb -0.13 -0.81 0.02 0.00 2.01 0.00 0.00 34.83 35.92 1q86 s MET 84 CO 0.02 0.14 -0.07 -1.21 -0.01 0.00 0.00 175.02 173.90 1q86 s GLU 85 N -3.09 1.37 0.31 2.03 2.02 -0.19 0.05 118.70 121.20 1q86 s GLU 85 Ca 0.12 -0.20 -0.27 0.00 0.02 0.00 0.00 54.97 54.63 1q86 s GLU 85 Cb -0.02 -1.44 -0.09 0.00 0.10 0.00 0.00 34.13 32.68 1q86 s GLU 85 CO 0.02 -0.24 1.02 0.54 0.02 0.00 0.00 175.26 176.62 1q86 s VAL 86 N 1.61 3.84 -0.11 2.63 0.11 -1.03 -1.71 120.40 125.75 1q86 s VAL 86 Ca 0.02 1.66 -0.09 0.00 -2.93 0.00 0.00 61.98 60.65 1q86 s VAL 86 Cb -0.13 -3.98 0.03 0.00 -1.53 0.00 0.00 36.38 30.77 1q86 s VAL 86 CO -0.06 0.25 0.29 0.12 -3.33 0.00 0.00 175.10 172.37 1q86 s PHE 87 N -1.39 -0.34 0.06 1.54 5.36 -0.27 -4.93 117.98 118.02 1q86 s PHE 87 Ca 0.48 0.81 -0.07 0.00 -0.96 0.00 0.00 56.93 57.19 1q86 s PHE 87 Cb -0.25 0.11 -0.01 0.00 -0.34 0.00 0.00 43.02 42.53 1q86 s PHE 87 CO 0.32 -0.18 0.13 1.52 -1.46 0.00 0.00 175.22 175.54 1q86 s TYR 88 N 0.48 0.22 -0.11 10.12 -0.85 -1.26 -0.27 117.35 125.68 1q86 s TYR 88 Ca -0.03 -0.61 0.04 0.00 -0.52 0.00 0.00 57.07 55.96 1q86 s TYR 88 Cb -0.04 -0.14 -0.09 0.00 0.38 0.00 0.00 41.96 42.07 1q86 s TYR 88 CO -0.02 -0.45 -0.04 -1.13 -1.52 0.00 0.00 175.55 172.38 1q86 n SER 89 N 0.28 2.91 0.00 -0.18 3.41 -1.26 -4.92 113.62 113.86 1q86 n SER 89 Ca -0.16 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1q86 n SER 89 Cb 0.61 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 1q86 n SER 89 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1q86 n HIS 90 N -2.62 0.00 -3.71 7.33 -0.00 -1.26 -5.04 115.22 109.92 1q86 n HIS 90 Ca -0.18 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.17 1q86 n HIS 90 Cb 0.76 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.63 1q86 n HIS 90 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1q86 s PHE 91 N -1.49 3.15 -0.32 1.57 0.40 -1.26 -5.03 117.98 114.99 1q86 s PHE 91 Ca 0.00 -0.18 -0.28 0.00 -0.60 0.00 0.00 56.93 55.88 1q86 s PHE 91 Cb 0.00 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.21 1q86 s PHE 91 CO 0.00 -0.24 2.12 -2.14 0.70 0.00 0.00 175.22 175.65 1q86 s PRO 92 N 1.57 2.96 -0.03 0.24 0.02 -1.26 -4.71 135.00 133.80 1q86 s PRO 92 Ca 0.06 1.66 -0.30 0.00 0.02 0.00 0.00 61.00 62.44 1q86 s PRO 92 Cb -0.15 -4.37 -0.03 0.00 0.02 0.00 0.00 34.50 29.98 1q86 s PRO 92 CO 0.06 -2.30 1.01 1.41 -0.33 0.00 0.00 177.00 176.86 1q86 s MET 93 N 6.56 4.50 -0.38 5.54 1.75 -1.26 -4.80 119.30 131.20 1q86 s MET 93 Ca 0.92 1.45 -0.05 0.00 -1.25 0.00 0.00 55.69 56.76 1q86 s MET 93 Cb -0.26 -3.48 0.08 0.00 2.84 0.00 0.00 34.83 34.01 1q86 s MET 93 CO 0.32 -0.15 0.17 -0.65 -0.65 0.00 0.00 175.02 174.06 1q86 s GLN 94 N 1.34 2.32 -0.19 4.11 -0.21 -0.73 -4.96 119.66 121.35 1q86 s GLN 94 Ca 0.52 -1.55 -0.14 0.00 0.02 0.00 0.00 55.36 54.21 1q86 s GLN 94 Cb -0.21 -3.55 -0.04 0.00 1.00 0.00 0.00 33.01 30.20 1q86 s GLN 94 CO 0.25 -0.91 0.30 0.08 -2.12 0.00 0.00 175.29 172.88 1q86 s VAL 95 N 1.27 5.28 0.04 1.09 1.01 -1.26 -0.55 120.40 127.29 1q86 s VAL 95 Ca 0.03 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1q86 s VAL 95 Cb -0.22 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1q86 s VAL 95 CO -0.01 0.34 -0.04 0.20 0.00 0.00 0.00 175.10 175.58 1q86 s ASN 96 N 0.76 0.51 -0.31 3.32 -0.87 0.14 -4.97 114.94 113.51 1q86 s ASN 96 Ca 0.15 -0.67 -0.11 0.00 -1.57 0.00 0.00 52.86 50.66 1q86 s ASN 96 Cb -0.14 0.11 -0.02 0.00 -0.02 0.00 0.00 41.25 41.18 1q86 s ASN 96 CO 0.05 -0.37 0.19 -0.69 -2.57 0.00 0.00 177.10 173.71 1q86 s VAL 97 N -2.21 5.01 -0.33 1.60 1.01 -1.26 0.20 120.40 124.42 1q86 s VAL 97 Ca -0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.75 1q86 s VAL 97 Cb -0.04 -3.50 0.11 0.00 0.00 0.00 0.00 36.38 32.94 1q86 s VAL 97 CO -0.03 0.11 0.12 -1.61 0.00 0.00 0.00 175.10 173.69 1q86 s GLU 98 N 1.69 0.83 2.67 2.72 2.02 -0.69 -4.95 118.70 123.00 1q86 s GLU 98 Ca 0.06 -1.26 0.00 0.00 0.02 0.00 0.00 54.97 53.79 1q86 s GLU 98 Cb -0.17 -2.07 0.00 0.00 0.10 0.00 0.00 34.13 32.00 1q86 s GLU 98 CO 0.09 -1.02 0.00 0.41 0.02 0.00 0.00 175.26 174.76 1q86 n GLY 99 N 4.59 1.29 1.16 -1.39 0.00 -1.26 -3.78 105.19 105.80 1q86 n GLY 99 Ca 0.00 -0.94 -0.06 0.00 0.00 0.00 0.00 46.02 45.03 1q86 n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q86 n ASP 100 N 3.02 2.89 -3.67 1.61 8.00 -1.26 -4.98 116.55 122.15 1q86 n ASP 100 Ca 0.00 -3.84 -0.10 0.00 0.71 0.00 0.00 54.79 51.56 1q86 n ASP 100 Cb 0.00 -0.53 -0.09 0.00 -0.02 0.00 0.00 41.12 40.48 1q86 n ASP 100 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1q86 s GLU 101 N -3.35 0.56 0.14 -1.24 -1.05 -1.25 -0.43 118.70 112.07 1q86 s GLU 101 Ca 0.44 0.94 -0.30 0.00 -0.15 0.00 0.00 54.97 55.90 1q86 s GLU 101 Cb 0.40 0.10 -0.07 0.00 -0.44 0.00 0.00 34.13 34.12 1q86 s GLU 101 CO -0.02 -0.14 0.98 0.54 0.95 0.00 0.00 175.26 177.56 1q86 s VAL 102 N 1.25 4.35 0.10 1.83 0.11 -1.02 -1.70 120.40 125.32 1q86 s VAL 102 Ca -0.08 2.01 0.07 0.00 -2.93 0.00 0.00 61.98 61.06 1q86 s VAL 102 Cb -0.06 -4.29 -0.04 0.00 -1.53 0.00 0.00 36.38 30.46 1q86 s VAL 102 CO -0.12 0.34 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.19 1q86 s VAL 103 N -0.22 3.30 -0.07 2.04 1.01 0.54 -2.86 120.40 124.14 1q86 s VAL 103 Ca 0.46 -1.28 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1q86 s VAL 103 Cb -0.25 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.61 1q86 s VAL 103 CO 0.31 0.12 -0.14 -0.63 0.00 0.00 0.00 175.10 174.76 1q86 s ILE 104 N -1.20 1.25 0.13 2.22 1.01 0.34 0.27 121.20 125.22 1q86 s ILE 104 Ca 0.21 -0.55 0.09 0.00 0.00 0.00 0.00 60.65 60.41 1q86 s ILE 104 Cb -0.11 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1q86 s ILE 104 CO 0.13 0.38 -0.23 -1.61 0.00 0.00 0.00 174.94 173.61 1q86 s GLU 105 N 0.61 1.28 -1.66 2.79 2.02 0.29 -1.06 118.70 122.97 1q86 s GLU 105 Ca -0.15 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 53.55 1q86 s GLU 105 Cb -0.16 -1.59 0.00 0.00 0.10 0.00 0.00 34.13 32.48 1q86 s GLU 105 CO 0.04 0.36 0.00 -1.71 0.02 0.00 0.00 175.26 173.98 1q86 n ASN 106 N 0.83 -5.11 -4.68 -0.19 4.05 -1.22 -1.77 115.26 107.17 1q86 n ASN 106 Ca -0.17 0.19 -0.42 0.00 0.45 0.00 0.00 54.58 54.63 1q86 n ASN 106 Cb 0.54 -4.17 -0.03 0.00 1.23 0.00 0.00 39.78 37.35 1q86 n ASN 106 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 1q86 s PHE 107 N -2.77 1.82 -1.04 1.20 5.36 -1.26 -1.08 117.98 120.21 1q86 s PHE 107 Ca 0.00 -0.17 0.00 0.00 -0.96 0.00 0.00 56.93 55.80 1q86 s PHE 107 Cb 0.00 -4.19 0.00 0.00 -0.34 0.00 0.00 43.02 38.49 1q86 s PHE 107 CO 0.00 -5.06 0.00 1.28 -1.46 0.00 0.00 175.22 169.98 1q86 n LEU 108 N 6.43 -0.99 0.00 6.12 4.32 -1.26 -0.30 117.00 131.32 1q86 n LEU 108 Ca 0.18 0.24 0.00 0.00 -0.02 0.00 0.00 56.01 56.41 1q86 n LEU 108 Cb 0.39 -1.98 0.00 0.00 -1.62 0.00 0.00 43.42 40.22 1q86 n LEU 108 CO 0.66 -0.26 0.00 0.61 -1.22 0.00 0.00 177.39 177.18 1q86 n GLY 109 N -0.61 0.82 3.74 -0.72 0.00 -0.25 -5.01 105.19 103.16 1q86 n GLY 109 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 1q86 n GLY 109 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q86 n GLU 110 N -2.19 2.39 0.12 1.61 1.02 0.59 -4.91 120.64 119.26 1q86 n GLU 110 Ca 0.00 0.84 -0.24 0.00 -0.02 0.00 0.00 57.16 57.74 1q86 n GLU 110 Cb 0.00 -2.54 -0.15 0.00 -0.02 0.00 0.00 31.44 28.73 1q86 n GLU 110 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1q86 h LYS 111 N 2.65 0.49 -6.39 3.49 1.57 -1.95 -3.24 116.57 113.18 1q86 h LYS 111 Ca -0.49 -0.82 -0.54 0.00 -1.87 0.00 0.00 60.65 56.93 1q86 h LYS 111 Cb 1.26 0.30 -0.02 0.00 0.08 0.00 0.00 32.23 33.86 1q86 h LYS 111 CO 0.63 1.39 0.42 0.00 -0.57 0.00 0.00 179.45 181.31 1q86 s ALA 112 N -2.57 3.21 0.25 3.86 0.00 -1.26 -4.81 121.76 120.44 1q86 s ALA 112 Ca -0.10 0.54 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 1q86 s ALA 112 Cb 0.03 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 1q86 s ALA 112 CO 0.92 -0.31 1.11 -2.14 0.00 0.00 0.00 175.76 175.34 1q86 s PRO 113 N 1.18 4.61 0.18 0.00 0.02 -1.26 -4.75 135.00 134.97 1q86 s PRO 113 Ca 0.52 1.80 -0.05 0.00 0.02 0.00 0.00 61.00 63.30 1q86 s PRO 113 Cb -0.21 -3.21 -0.05 0.00 0.02 0.00 0.00 34.50 31.04 1q86 s PRO 113 CO 0.27 0.15 0.42 1.03 -0.33 0.00 0.00 177.00 178.53 1q86 s ARG 114 N -1.13 3.62 0.27 5.54 0.52 -0.22 -4.94 118.95 122.62 1q86 s ARG 114 Ca 0.46 -0.08 -0.16 0.00 -0.52 0.00 0.00 55.73 55.43 1q86 s ARG 114 Cb -0.32 -2.80 0.01 0.00 0.52 0.00 0.00 34.95 32.36 1q86 s ARG 114 CO 0.40 0.41 0.59 -0.98 0.02 0.00 0.00 175.30 175.74 1q86 s ARG 115 N -2.89 1.70 -0.24 3.54 1.70 -1.26 -0.50 118.95 120.99 1q86 s ARG 115 Ca 0.42 -1.18 -0.26 0.00 -0.47 0.00 0.00 55.73 54.24 1q86 s ARG 115 Cb -0.12 0.53 0.08 0.00 -0.57 0.00 0.00 34.95 34.87 1q86 s ARG 115 CO 0.26 -0.74 0.76 -0.08 -1.08 0.00 0.00 175.30 174.41 1q86 s THR 116 N -3.83 0.00 -0.10 4.99 -1.32 -1.13 -5.02 115.64 109.22 1q86 s THR 116 Ca 0.18 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.48 1q86 s THR 116 Cb -0.03 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.91 1q86 s THR 116 CO 0.09 0.00 0.46 -0.89 -2.21 0.00 0.00 174.62 172.07 1q86 s THR 117 N 0.14 5.15 0.28 5.08 2.01 -1.26 -2.43 115.64 124.61 1q86 s THR 117 Ca -0.01 0.92 -0.30 0.00 0.31 0.00 0.00 61.69 62.61 1q86 s THR 117 Cb -0.04 -3.79 -0.10 0.00 0.01 0.00 0.00 72.50 68.57 1q86 s THR 117 CO 0.01 0.38 1.41 -0.63 -0.69 0.00 0.00 174.62 175.10 1q86 s ILE 118 N 0.29 2.61 -0.33 1.82 1.01 0.42 -4.96 121.20 122.07 1q86 s ILE 118 Ca 0.25 0.55 -0.23 0.00 0.00 0.00 0.00 60.65 61.21 1q86 s ILE 118 Cb -0.15 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 38.97 1q86 s ILE 118 CO 0.11 0.10 0.79 -1.00 0.00 0.00 0.00 174.94 174.94 1q86 s HIS 119 N -0.36 3.17 0.00 3.97 3.76 -1.26 -4.94 115.29 119.63 1q86 s HIS 119 Ca 0.56 0.72 0.00 0.00 -0.15 0.00 0.00 55.06 56.20 1q86 s HIS 119 Cb -0.42 -3.29 0.00 0.00 1.11 0.00 0.00 32.58 29.98 1q86 s HIS 119 CO 0.47 -0.63 0.00 0.41 -0.85 0.00 0.00 174.74 174.14 1q86 n GLY 120 N 4.31 2.25 1.73 -2.22 0.00 -1.26 -3.23 105.19 106.77 1q86 n GLY 120 Ca 0.04 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 1q86 n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q86 n ASP 121 N 0.46 5.77 -4.75 1.61 8.00 -1.26 -4.91 116.55 121.48 1q86 n ASP 121 Ca 0.00 -2.82 -0.40 0.00 0.71 0.00 0.00 54.79 52.28 1q86 n ASP 121 Cb 0.00 -1.02 -0.05 0.00 -0.02 0.00 0.00 41.12 40.03 1q86 n ASP 121 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1q86 s THR 122 N -1.53 4.52 -0.28 -3.53 2.01 -1.20 -4.65 115.64 110.98 1q86 s THR 122 Ca 0.21 1.80 -0.08 0.00 0.31 0.00 0.00 61.69 63.93 1q86 s THR 122 Cb 0.17 -4.19 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 1q86 s THR 122 CO 0.00 0.41 0.09 -1.81 -0.69 0.00 0.00 174.62 172.62 1q86 s ASP 123 N -0.42 5.20 -0.64 3.53 1.01 0.14 -4.92 116.67 120.57 1q86 s ASP 123 Ca 0.40 -0.49 -0.11 0.00 0.71 0.00 0.00 52.55 53.06 1q86 s ASP 123 Cb -0.22 -1.92 0.17 0.00 1.01 0.00 0.00 42.92 41.95 1q86 s ASP 123 CO 0.26 -0.14 0.54 -0.69 0.21 0.00 0.00 175.17 175.36 1q86 s VAL 124 N 1.56 4.79 -0.24 -1.27 1.01 -1.26 -1.78 120.40 123.21 1q86 s VAL 124 Ca 0.04 -2.21 -0.13 0.00 0.00 0.00 0.00 61.98 59.68 1q86 s VAL 124 Cb -0.16 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1q86 s VAL 124 CO 0.04 -0.90 0.27 -1.61 0.00 0.00 0.00 175.10 172.90 1q86 s GLU 125 N 0.70 4.08 -0.16 2.72 2.02 -0.93 -4.93 118.70 122.21 1q86 s GLU 125 Ca 0.12 -0.07 -0.02 0.00 0.02 0.00 0.00 54.97 55.01 1q86 s GLU 125 Cb -0.20 -3.57 -0.02 0.00 0.10 0.00 0.00 34.13 30.44 1q86 s GLU 125 CO -0.04 -0.05 -0.08 -1.50 0.02 0.00 0.00 175.26 173.61 1q86 s ILE 126 N 1.38 3.39 -0.30 -1.63 2.07 -1.26 -1.23 121.20 123.62 1q86 s ILE 126 Ca 0.12 -0.53 -0.01 0.00 -1.41 0.00 0.00 60.65 58.83 1q86 s ILE 126 Cb -0.15 -2.47 0.10 0.00 0.13 0.00 0.00 42.46 40.07 1q86 s ILE 126 CO 0.07 0.49 0.09 -0.62 -1.91 0.00 0.00 174.94 173.06 1q86 s ASP 127 N 0.59 3.98 1.66 4.50 -1.08 0.42 -5.02 116.67 121.71 1q86 s ASP 127 Ca -0.05 -1.59 0.00 0.00 -0.52 0.00 0.00 52.55 50.39 1q86 s ASP 127 Cb -0.15 -0.87 0.00 0.00 -1.46 0.00 0.00 42.92 40.44 1q86 s ASP 127 CO 0.03 -0.40 0.00 0.61 0.52 0.00 0.00 175.17 175.93 1q86 n GLY 128 N 4.84 3.59 1.77 2.66 0.00 -1.26 -1.66 105.19 115.13 1q86 n GLY 128 Ca -0.03 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.95 1q86 n GLY 128 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q86 n GLU 129 N 13.31 4.18 -4.73 1.61 -0.58 -1.26 -4.90 120.64 128.28 1q86 n GLU 129 Ca 0.00 -3.10 -0.26 0.00 -0.42 0.00 0.00 57.16 53.38 1q86 n GLU 129 Cb 0.00 -2.19 -0.16 0.00 -0.57 0.00 0.00 31.44 28.52 1q86 n GLU 129 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1q86 s GLU 130 N -2.87 1.83 0.16 3.49 2.02 -0.67 -2.45 118.70 120.21 1q86 s GLU 130 Ca 0.53 -0.52 0.11 0.00 0.02 0.00 0.00 54.97 55.11 1q86 s GLU 130 Cb 0.42 -1.52 -0.04 0.00 0.10 0.00 0.00 34.13 33.08 1q86 s GLU 130 CO 0.14 0.12 -0.26 -0.51 0.02 0.00 0.00 175.26 174.77 1q86 s LEU 131 N 0.39 2.37 -0.16 1.80 1.43 0.11 -0.43 118.68 124.19 1q86 s LEU 131 Ca -0.11 -0.79 -0.05 0.00 -1.03 0.00 0.00 54.13 52.15 1q86 s LEU 131 Cb -0.14 -1.21 0.06 0.00 0.03 0.00 0.00 46.19 44.93 1q86 s LEU 131 CO 0.04 0.16 0.08 0.28 0.23 0.00 0.00 176.35 177.14 1q86 s THR 132 N -1.31 -0.06 -0.13 5.49 -1.32 -0.37 0.08 115.64 118.03 1q86 s THR 132 Ca 0.17 -0.12 -0.15 0.00 -1.21 0.00 0.00 61.69 60.38 1q86 s THR 132 Cb -0.09 -0.55 -0.05 0.00 -1.51 0.00 0.00 72.50 70.30 1q86 s THR 132 CO 0.08 -0.23 0.36 -0.69 -2.21 0.00 0.00 174.62 171.93 1q86 s VAL 133 N 2.13 5.25 0.02 5.08 1.01 0.23 -2.18 120.40 131.93 1q86 s VAL 133 Ca 0.02 0.71 -0.16 0.00 0.00 0.00 0.00 61.98 62.54 1q86 s VAL 133 Cb -0.16 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.55 1q86 s VAL 133 CO -0.08 0.38 0.36 -0.94 0.00 0.00 0.00 175.10 174.82 1q86 s SER 134 N 0.40 -0.22 0.00 3.32 1.04 -0.73 0.52 113.70 118.02 1q86 s SER 134 Ca 0.20 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1q86 s SER 134 Cb -0.14 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1q86 s SER 134 CO 0.07 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1q86 n GLY 135 N 0.75 -0.24 0.11 7.32 0.00 -0.45 0.24 105.19 112.93 1q86 n GLY 135 Ca -0.19 -0.98 0.06 0.00 0.00 0.00 0.00 46.02 44.91 1q86 n GLY 135 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q86 h PRO 136 N 0.00 0.00 -4.54 1.61 0.13 -1.84 -0.73 132.00 126.63 1q86 h PRO 136 Ca 0.00 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.41 1q86 h PRO 136 Cb 0.00 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 30.92 1q86 h PRO 136 CO 0.00 0.15 0.00 0.34 -0.23 0.00 0.00 178.00 178.26 1q86 s ASP 137 N -5.66 6.19 0.37 1.44 -1.08 -1.26 -4.38 116.67 112.29 1q86 s ASP 137 Ca -0.01 -1.48 0.09 0.00 -0.52 0.00 0.00 52.55 50.63 1q86 s ASP 137 Cb 0.09 -2.27 0.82 0.00 -1.46 0.00 0.00 42.92 40.10 1q86 s ASP 137 CO 0.79 -1.01 1.93 -0.29 0.52 0.00 0.00 175.17 177.11 1q86 h ILE 138 N 5.90 0.93 -0.24 4.11 2.10 -1.88 -1.45 117.51 126.98 1q86 h ILE 138 Ca -0.29 -0.23 0.05 0.00 1.08 0.00 0.00 64.86 65.47 1q86 h ILE 138 Cb 1.09 0.21 -0.05 0.00 -1.09 0.00 0.00 36.82 36.97 1q86 h ILE 138 CO 1.06 0.12 -0.10 -0.33 -1.08 0.00 0.00 178.15 177.82 1q86 h GLU 139 N 0.67 -0.06 -0.36 2.19 4.39 -1.99 0.26 114.58 119.67 1q86 h GLU 139 Ca 0.35 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.99 1q86 h GLU 139 Cb 0.48 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1q86 h GLU 139 CO -0.13 -0.04 -0.02 0.00 -1.16 0.00 0.00 179.01 177.65 1q86 h ALA 140 N 1.15 0.49 0.35 3.43 0.00 -1.61 -2.72 119.26 120.35 1q86 h ALA 140 Ca 0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1q86 h ALA 140 Cb 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1q86 h ALA 140 CO -0.29 0.28 -0.17 0.28 0.00 0.00 0.00 179.25 179.36 1q86 h VAL 141 N 0.46 0.67 -0.62 0.00 2.07 -1.06 -1.62 116.25 116.16 1q86 h VAL 141 Ca 0.10 -0.30 0.12 0.00 0.82 0.00 0.00 66.70 67.44 1q86 h VAL 141 Cb 0.50 0.83 -0.12 0.00 -1.52 0.00 0.00 31.29 30.98 1q86 h VAL 141 CO 0.02 0.06 -0.16 1.23 0.02 0.00 0.00 177.57 178.74 1q86 h GLY 142 N -0.63 0.44 0.87 2.17 0.00 -0.51 -0.20 103.07 105.20 1q86 h GLY 142 Ca -0.05 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1q86 h GLY 142 CO 0.08 -0.24 -0.12 1.46 0.00 0.00 0.00 176.54 177.72 1q86 h GLN 143 N -0.00 -0.33 -0.60 4.80 1.08 -1.42 -0.82 115.11 117.82 1q86 h GLN 143 Ca 0.30 0.02 0.12 0.00 -1.45 0.00 0.00 58.65 57.64 1q86 h GLN 143 Cb 0.46 0.08 -0.09 0.00 -0.05 0.00 0.00 27.48 27.87 1q86 h GLN 143 CO -0.64 -0.13 0.08 1.15 -0.95 0.00 0.00 178.83 178.35 1q86 h THR 144 N -0.48 0.60 0.16 -0.54 2.02 -0.74 2.29 112.91 116.21 1q86 h THR 144 Ca -0.04 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.08 1q86 h THR 144 Cb 0.36 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1q86 h THR 144 CO 0.06 0.04 -0.21 0.00 0.37 0.00 0.00 175.52 175.78 1q86 h ALA 145 N 1.50 -0.39 0.37 6.16 0.00 -0.93 -1.18 119.26 124.78 1q86 h ALA 145 Ca 0.31 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1q86 h ALA 145 Cb 0.48 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1q86 h ALA 145 CO -0.44 -0.75 -0.35 0.00 0.00 0.00 0.00 179.25 177.71 1q86 h ALA 146 N 0.34 -0.76 -1.13 0.00 0.00 0.66 -1.68 119.26 116.69 1q86 h ALA 146 Ca 0.01 -0.12 0.32 0.00 0.00 0.00 0.00 54.91 55.12 1q86 h ALA 146 Cb 0.41 0.49 -0.10 0.00 0.00 0.00 0.00 17.79 18.60 1q86 h ALA 146 CO -0.08 -0.96 0.74 -0.44 0.00 0.00 0.00 179.25 178.51 1q86 h ASP 147 N -0.73 0.34 0.09 0.00 3.32 0.39 0.42 116.42 120.25 1q86 h ASP 147 Ca -0.03 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1q86 h ASP 147 Cb 0.66 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1q86 h ASP 147 CO -0.05 0.01 -0.05 0.40 -1.72 0.00 0.00 179.24 177.83 1q86 h ILE 148 N 0.27 1.11 -0.09 0.35 2.04 -0.31 0.41 117.51 121.29 1q86 h ILE 148 Ca 0.65 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.67 1q86 h ILE 148 Cb 1.87 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.59 1q86 h ILE 148 CO -0.29 0.20 0.03 -0.08 0.00 0.00 0.00 178.15 178.02 1q86 h GLU 149 N -0.52 0.08 -0.87 2.37 4.81 -0.09 -2.04 114.58 118.33 1q86 h GLU 149 Ca -0.01 -0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.37 1q86 h GLU 149 Cb 0.43 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.69 1q86 h GLU 149 CO 0.02 0.05 0.44 1.96 -0.73 0.00 0.00 179.01 180.75 1q86 h GLN 150 N 0.08 0.58 -0.58 1.92 1.08 -0.30 -2.16 115.11 115.72 1q86 h GLN 150 Ca 0.03 -0.03 0.17 0.00 -1.45 0.00 0.00 58.65 57.37 1q86 h GLN 150 Cb 0.01 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.29 1q86 h GLN 150 CO -0.03 0.38 0.82 1.25 -0.95 0.00 0.00 178.83 180.31 1q86 h LEU 151 N 0.59 0.00 -2.71 1.46 5.85 -0.14 0.74 115.31 121.10 1q86 h LEU 151 Ca 0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.21 1q86 h LEU 151 Cb 0.74 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.77 1q86 h LEU 151 CO -0.39 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 178.06 1q86 n THR 152 N -3.28 0.92 -1.54 1.05 -2.24 -0.81 -4.94 114.28 103.44 1q86 n THR 152 Ca 0.12 -0.96 -0.43 0.00 -2.27 0.00 0.00 64.05 60.51 1q86 n THR 152 Cb 1.02 0.57 -0.00 0.00 -2.10 0.00 0.00 70.33 69.82 1q86 n THR 152 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1q86 n ARG 153 N 1.33 1.02 -3.75 -0.78 0.63 0.26 -4.92 116.66 110.44 1q86 n ARG 153 Ca 0.20 0.36 -0.16 0.00 -0.92 0.00 0.00 57.85 57.34 1q86 n ARG 153 Cb 0.57 -1.73 -0.16 0.00 0.45 0.00 0.00 32.46 31.58 1q86 n ARG 153 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1q86 s ILE 154 N -1.23 -0.07 -0.04 5.15 2.07 -1.26 -5.03 121.20 120.79 1q86 s ILE 154 Ca 0.62 0.25 0.04 0.00 -1.41 0.00 0.00 60.65 60.14 1q86 s ILE 154 Cb -0.65 -0.10 -0.05 0.00 0.13 0.00 0.00 42.46 41.79 1q86 s ILE 154 CO 0.58 0.10 0.03 0.59 -1.91 0.00 0.00 174.94 174.33 1q86 n ASN 155 N 4.35 3.98 -0.11 4.50 3.02 -1.26 -4.75 115.26 125.00 1q86 n ASN 155 Ca -0.24 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.23 1q86 n ASN 155 Cb 0.50 0.69 -0.00 0.00 -0.61 0.00 0.00 39.78 40.36 1q86 n ASN 155 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1q86 h ASP 156 N 0.00 0.38 -1.86 6.41 2.03 -2.04 -3.46 116.42 117.88 1q86 h ASP 156 Ca -0.10 -0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.63 1q86 h ASP 156 Cb 1.10 -0.09 -0.09 0.00 -0.83 0.00 0.00 39.33 39.42 1q86 h ASP 156 CO 0.01 0.28 -0.58 -0.54 -1.03 0.00 0.00 179.24 177.38 1q86 s LYS 157 N -6.16 2.19 0.00 4.15 1.02 -1.26 -5.08 119.74 114.60 1q86 s LYS 157 Ca -0.13 -1.70 -0.32 0.00 0.02 0.00 0.00 55.97 53.84 1q86 s LYS 157 Cb 0.11 -2.01 -0.11 0.00 -0.52 0.00 0.00 37.83 35.30 1q86 s LYS 157 CO 0.72 0.09 1.90 -3.47 -0.92 0.00 0.00 175.35 173.67 1q86 n ASP 158 N -1.05 3.80 0.16 2.83 -0.08 -1.26 -4.88 116.55 116.06 1q86 n ASP 158 Ca -0.03 0.95 0.01 0.00 -1.51 0.00 0.00 54.79 54.21 1q86 n ASP 158 Cb 0.62 -1.46 0.27 0.00 2.34 0.00 0.00 41.12 42.89 1q86 n ASP 158 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1q86 h VAL 159 N 5.32 1.33 0.00 5.18 2.07 -1.90 -1.49 116.25 126.75 1q86 h VAL 159 Ca -0.49 -1.70 -0.03 0.00 0.82 0.00 0.00 66.70 65.30 1q86 h VAL 159 Cb 1.25 1.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1q86 h VAL 159 CO 0.94 0.48 -0.15 0.03 0.02 0.00 0.00 177.57 178.89 1q86 h ARG 160 N 0.00 0.00 0.02 1.57 3.08 -2.01 -3.17 114.38 113.88 1q86 h ARG 160 Ca -0.00 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.66 1q86 h ARG 160 Cb 0.88 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.88 1q86 h ARG 160 CO 0.06 0.15 -2.23 0.28 -1.07 0.00 0.00 179.97 177.16 1q86 n VAL 161 N -3.82 1.56 -3.31 2.04 0.31 -1.11 -4.67 118.33 109.33 1q86 n VAL 161 Ca -0.02 -0.43 -0.46 0.00 -0.01 0.00 0.00 64.34 63.42 1q86 n VAL 161 Cb 0.25 -1.73 -0.01 0.00 -0.91 0.00 0.00 33.84 31.44 1q86 n VAL 161 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1q86 s PHE 162 N -2.50 3.99 -2.53 3.52 0.40 -0.58 -4.84 117.98 115.45 1q86 s PHE 162 Ca -0.33 -2.32 0.23 0.00 -0.60 0.00 0.00 56.93 53.91 1q86 s PHE 162 Cb 0.10 -3.85 0.53 0.00 0.51 0.00 0.00 43.02 40.31 1q86 s PHE 162 CO 0.59 -1.00 1.45 1.04 0.70 0.00 0.00 175.22 178.00 1q86 n GLN 163 N 3.47 2.17 -1.57 0.44 6.02 -1.22 -4.59 117.38 122.10 1q86 n GLN 163 Ca 0.20 -1.75 -0.38 0.00 -0.01 0.00 0.00 57.00 55.05 1q86 n GLN 163 Cb 0.43 -1.47 0.04 0.00 1.02 0.00 0.00 30.24 30.27 1q86 n GLN 163 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1q86 n ASP 164 N 1.01 0.32 0.00 1.08 9.92 -1.26 -4.90 116.55 122.72 1q86 n ASP 164 Ca 0.17 0.81 0.00 0.00 -0.53 0.00 0.00 54.79 55.24 1q86 n ASP 164 Cb 0.50 -1.33 0.00 0.00 -0.64 0.00 0.00 41.12 39.66 1q86 n ASP 164 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1q86 n GLY 165 N 1.41 2.79 3.85 0.44 0.00 0.63 -4.99 105.19 109.33 1q86 n GLY 165 Ca 0.13 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.27 1q86 n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q86 s VAL 166 N -1.99 5.30 0.06 1.61 1.01 -1.26 -1.11 120.40 124.02 1q86 s VAL 166 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1q86 s VAL 166 Cb 0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1q86 s VAL 166 CO 0.00 0.55 -0.09 -0.31 0.00 0.00 0.00 175.10 175.25 1q86 s TYR 167 N -1.08 0.85 -0.35 5.22 1.51 -0.69 -4.38 117.35 118.43 1q86 s TYR 167 Ca 0.18 -0.59 -0.29 0.00 -1.01 0.00 0.00 57.07 55.36 1q86 s TYR 167 Cb -0.12 -0.49 -0.00 0.00 -0.11 0.00 0.00 41.96 41.24 1q86 s TYR 167 CO 0.07 -0.06 1.50 0.42 -1.11 0.00 0.00 175.55 176.37 1q86 s ILE 168 N -1.91 3.83 -0.08 2.71 -1.09 -1.26 -1.02 121.20 122.38 1q86 s ILE 168 Ca -0.03 0.87 0.03 0.00 -2.23 0.00 0.00 60.65 59.29 1q86 s ILE 168 Cb -0.06 -4.01 -0.25 0.00 -1.58 0.00 0.00 42.46 36.56 1q86 s ILE 168 CO -0.00 -0.58 0.52 0.41 -1.23 0.00 0.00 174.94 174.06 1q86 n THR 169 N 6.90 1.71 -3.66 2.92 -1.04 0.60 -4.89 114.28 116.82 1q86 n THR 169 Ca 0.18 -0.73 -0.18 0.00 -2.04 0.00 0.00 64.05 61.28 1q86 n THR 169 Cb 0.47 -1.40 -0.16 0.00 -1.82 0.00 0.00 70.33 67.41 1q86 n THR 169 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1q86 s ARG 170 N -2.58 0.01 -0.05 -2.82 0.52 -0.95 -4.94 118.95 108.14 1q86 s ARG 170 Ca -0.14 0.49 -0.13 0.00 -0.52 0.00 0.00 55.73 55.43 1q86 s ARG 170 Cb 0.07 -0.41 -0.05 0.00 0.52 0.00 0.00 34.95 35.09 1q86 s ARG 170 CO 0.80 -0.33 0.33 0.15 0.02 0.00 0.00 175.30 176.26 1q86 s LYS 171 N 2.26 3.85 0.00 3.54 1.02 -1.26 -1.51 119.74 127.63 1q86 s LYS 171 Ca 0.04 0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.27 1q86 s LYS 171 Cb -0.12 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 33.95 1q86 s LYS 171 CO -0.05 0.65 0.48 -0.35 -0.92 0.00 0.00 175.35 175.15