#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q82 h THR 2 N 0.00 1.51 -3.16 0.00 2.02 -2.01 -3.49 112.91 107.78 1q82 h THR 2 Ca 0.00 -1.83 -0.09 0.00 0.77 0.00 0.00 66.41 65.26 1q82 h THR 2 Cb 0.00 2.62 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 1q82 h THR 2 CO 0.00 0.50 0.14 0.61 0.37 0.00 0.00 175.52 177.15 1q82 n GLY 3 N 0.90 1.38 0.27 2.16 0.00 -1.26 -5.00 105.19 103.64 1q82 n GLY 3 Ca -0.09 -1.33 0.12 0.00 0.00 0.00 0.00 46.02 44.72 1q82 n GLY 3 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1q82 h PRO 4 N 0.00 0.00 0.00 1.61 0.11 -2.08 -1.00 132.00 130.64 1q82 h PRO 4 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1q82 h PRO 4 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1q82 h PRO 4 CO 0.37 0.07 -0.36 -2.13 -0.21 0.00 0.00 178.00 175.74 1q82 n ARG 5 N -3.90 0.08 -1.78 1.05 0.63 -1.26 -4.93 116.66 106.54 1q82 n ARG 5 Ca -0.02 0.03 -0.40 0.00 -0.92 0.00 0.00 57.85 56.54 1q82 n ARG 5 Cb 0.16 -1.56 0.01 0.00 0.45 0.00 0.00 32.46 31.53 1q82 n ARG 5 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1q82 s TYR 6 N -3.04 2.47 -0.36 -0.14 5.04 -0.38 -4.98 117.35 115.95 1q82 s TYR 6 Ca 0.11 1.23 -0.07 0.00 -2.44 0.00 0.00 57.07 55.89 1q82 s TYR 6 Cb 0.17 -3.96 0.05 0.00 0.35 0.00 0.00 41.96 38.56 1q82 s TYR 6 CO 0.65 -3.01 0.15 0.21 -1.34 0.00 0.00 175.55 172.22 1q82 s LYS 7 N -2.37 2.61 -0.21 4.97 2.47 -1.26 -4.79 119.74 121.15 1q82 s LYS 7 Ca 0.59 -1.25 -0.19 0.00 -1.56 0.00 0.00 55.97 53.56 1q82 s LYS 7 Cb -0.45 -3.56 -0.03 0.00 -1.46 0.00 0.00 37.83 32.33 1q82 s LYS 7 CO 0.58 -0.74 0.54 0.08 0.16 0.00 0.00 175.35 175.97 1q82 s VAL 8 N 1.41 5.08 1.00 4.02 1.01 -1.26 -5.03 120.40 126.63 1q82 s VAL 8 Ca 0.00 0.99 -0.13 0.00 0.00 0.00 0.00 61.98 62.84 1q82 s VAL 8 Cb -0.20 -3.86 0.10 0.00 0.00 0.00 0.00 36.38 32.41 1q82 s VAL 8 CO 0.03 0.14 0.54 -2.65 0.00 0.00 0.00 175.10 173.16 1q82 n PRO 9 N 5.01 -0.77 -2.08 2.72 -0.02 -1.26 -4.92 135.00 133.67 1q82 n PRO 9 Ca -0.04 -0.18 -0.37 0.00 -2.02 0.00 0.00 63.50 60.89 1q82 n PRO 9 Cb 0.50 -1.96 0.02 0.00 -0.02 0.00 0.00 33.50 32.03 1q82 n PRO 9 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1q82 s MET 10 N -3.88 3.34 0.12 -0.52 -1.94 -1.26 -4.75 119.30 110.41 1q82 s MET 10 Ca 0.60 1.87 -0.31 0.00 -1.71 0.00 0.00 55.69 56.14 1q82 s MET 10 Cb -0.20 -2.18 -0.10 0.00 2.01 0.00 0.00 34.83 34.35 1q82 s MET 10 CO 0.65 -0.92 1.52 -0.09 -0.01 0.00 0.00 175.02 176.16 1q82 h ARG 11 N 1.47 -0.37 0.00 2.03 2.43 -2.00 0.21 114.38 118.15 1q82 h ARG 11 Ca -0.50 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1q82 h ARG 11 Cb 1.28 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 1q82 h ARG 11 CO 0.58 -0.24 0.00 0.54 -1.51 0.00 0.00 179.97 179.33 1q82 n ARG 12 N -5.21 0.04 -0.06 0.20 1.74 -1.26 -0.01 116.66 112.10 1q82 n ARG 12 Ca -0.03 0.17 -0.20 0.00 -0.77 0.00 0.00 57.85 57.02 1q82 n ARG 12 Cb 0.32 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.13 1q82 n ARG 12 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1q82 n ARG 13 N -1.18 0.71 0.09 5.56 3.00 0.61 -1.58 116.66 123.87 1q82 n ARG 13 Ca 0.01 0.21 -0.12 0.00 -0.00 0.00 0.00 57.85 57.95 1q82 n ARG 13 Cb 0.01 -1.62 -0.05 0.00 0.00 0.00 0.00 32.46 30.81 1q82 n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1q82 h ARG 14 N 0.03 -0.37 0.00 -0.14 3.08 0.84 0.83 114.38 118.65 1q82 h ARG 14 Ca -0.50 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1q82 h ARG 14 Cb 1.97 0.08 0.00 0.00 0.08 0.00 0.00 29.97 32.10 1q82 h ARG 14 CO -0.00 -0.25 0.00 0.39 -1.07 0.00 0.00 179.97 179.04 1q82 n GLU 15 N -5.34 0.30 -4.09 0.04 1.02 -0.39 -4.83 120.64 107.35 1q82 n GLU 15 Ca -0.06 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.80 1q82 n GLU 15 Cb 0.25 -1.38 -0.05 0.00 -0.02 0.00 0.00 31.44 30.25 1q82 n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q82 n ALA 16 N -0.88 -1.99 -0.01 0.62 0.00 0.28 -4.88 120.51 113.65 1q82 n ALA 16 Ca 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 53.44 53.16 1q82 n ALA 16 Cb 0.03 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.18 1q82 n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1q82 n ARG 17 N -4.46 1.58 -4.87 0.00 1.74 -0.95 -5.04 116.66 104.65 1q82 n ARG 17 Ca -0.31 0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.45 1q82 n ARG 17 Cb 0.69 -1.07 -0.14 0.00 -1.02 0.00 0.00 32.46 30.92 1q82 n ARG 17 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1q82 s THR 18 N -2.06 2.92 -0.53 0.55 2.01 -0.62 -4.71 115.64 113.21 1q82 s THR 18 Ca -0.03 -0.73 -0.16 0.00 0.31 0.00 0.00 61.69 61.07 1q82 s THR 18 Cb 0.01 -2.19 0.11 0.00 0.01 0.00 0.00 72.50 70.44 1q82 s THR 18 CO 0.09 0.55 0.51 -0.62 -0.69 0.00 0.00 174.62 174.45 1q82 s ASP 19 N 0.00 6.18 0.32 3.53 -1.08 -1.26 -4.57 116.67 119.80 1q82 s ASP 19 Ca -0.05 -1.55 0.08 0.00 -0.52 0.00 0.00 52.55 50.51 1q82 s ASP 19 Cb -0.14 -2.22 0.54 0.00 -1.46 0.00 0.00 42.92 39.64 1q82 s ASP 19 CO 0.04 -0.83 1.75 1.88 0.52 0.00 0.00 175.17 178.53 1q82 h TYR 20 N 8.90 0.22 -0.49 -5.34 -1.99 -1.97 0.52 116.97 116.81 1q82 h TYR 20 Ca -0.29 -0.05 -0.08 0.00 2.00 0.00 0.00 58.73 60.30 1q82 h TYR 20 Cb 1.10 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.76 1q82 h TYR 20 CO 0.72 0.54 -0.00 0.45 -0.00 0.00 0.00 178.16 179.87 1q82 h HIS 21 N 0.17 0.95 -0.42 4.88 3.86 -2.00 -1.04 115.15 121.55 1q82 h HIS 21 Ca 0.02 -0.17 -0.15 0.00 -1.16 0.00 0.00 60.37 58.91 1q82 h HIS 21 Cb 0.73 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 1q82 h HIS 21 CO 0.01 0.90 -0.34 0.37 0.86 0.00 0.00 177.93 179.73 1q82 h GLN 22 N 0.74 0.96 -0.62 2.45 4.15 -1.94 -2.85 115.11 118.00 1q82 h GLN 22 Ca 0.14 -0.48 0.07 0.00 0.77 0.00 0.00 58.65 59.14 1q82 h GLN 22 Cb 0.52 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.15 1q82 h GLN 22 CO 0.03 1.15 0.31 -0.09 -1.93 0.00 0.00 178.83 178.30 1q82 h ARG 23 N 0.80 0.56 -0.68 1.69 2.43 -0.51 0.11 114.38 118.78 1q82 h ARG 23 Ca 0.08 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1q82 h ARG 23 Cb 0.93 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.32 1q82 h ARG 23 CO 0.09 0.37 0.44 1.25 -1.51 0.00 0.00 179.97 180.61 1q82 h LEU 24 N 0.58 0.78 -0.99 3.80 5.85 -1.12 0.29 115.31 124.50 1q82 h LEU 24 Ca 0.29 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 1q82 h LEU 24 Cb 0.23 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1q82 h LEU 24 CO -0.21 0.57 0.16 0.03 -0.34 0.00 0.00 178.44 178.65 1q82 h ARG 25 N 0.92 0.90 0.47 1.25 3.08 -1.09 -2.66 114.38 117.24 1q82 h ARG 25 Ca 0.25 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1q82 h ARG 25 Cb -0.10 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.82 1q82 h ARG 25 CO -0.05 0.79 -0.23 -0.07 -1.07 0.00 0.00 179.97 179.34 1q82 h LEU 26 N 0.86 -0.53 -0.84 3.04 -0.00 0.19 -2.74 115.31 115.28 1q82 h LEU 26 Ca 0.19 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.06 1q82 h LEU 26 Cb 0.28 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 1q82 h LEU 26 CO -0.00 -0.34 0.00 0.18 -0.00 0.00 0.00 178.44 178.28 1q82 n LEU 27 N -5.34 0.33 -0.18 1.67 4.77 -0.01 -2.70 117.00 115.54 1q82 n LEU 27 Ca -0.11 0.65 -0.02 0.00 -0.03 0.00 0.00 56.01 56.50 1q82 n LEU 27 Cb 0.28 -0.69 0.21 0.00 -2.33 0.00 0.00 43.42 40.88 1q82 n LEU 27 CO 0.36 -0.77 1.09 0.11 -1.33 0.00 0.00 177.39 176.86 1q82 h LYS 28 N 0.00 0.92 0.00 3.23 1.79 -1.15 -2.51 116.57 118.84 1q82 h LYS 28 Ca 0.00 -0.13 -0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1q82 h LYS 28 Cb 0.00 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.48 1q82 h LYS 28 CO 0.00 0.72 -0.00 0.66 -1.08 0.00 0.00 179.45 179.75 1q82 h SER 29 N 0.91 0.00 -0.17 0.86 4.64 -1.68 -3.46 113.55 114.66 1q82 h SER 29 Ca 0.22 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.47 1q82 h SER 29 Cb 0.11 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 1q82 h SER 29 CO -0.03 0.00 -0.07 0.61 -0.87 0.00 0.00 176.83 176.48 1q82 n GLY 30 N -1.49 0.65 3.78 -0.77 0.00 -0.95 -5.02 105.19 101.40 1q82 n GLY 30 Ca -0.03 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 1q82 n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q82 s LYS 31 N -1.74 2.43 0.58 1.61 1.02 -1.26 -5.10 119.74 117.28 1q82 s LYS 31 Ca 0.00 -1.57 -0.18 0.00 0.02 0.00 0.00 55.97 54.24 1q82 s LYS 31 Cb 0.00 -2.23 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 1q82 s LYS 31 CO 0.00 -0.01 1.13 -2.14 -0.92 0.00 0.00 175.35 173.41 1q82 s PRO 32 N -3.95 3.18 0.03 -1.68 0.02 -1.25 -4.80 135.00 126.56 1q82 s PRO 32 Ca 0.41 1.56 -0.06 0.00 0.02 0.00 0.00 61.00 62.93 1q82 s PRO 32 Cb -0.02 -1.99 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 1q82 s PRO 32 CO 0.24 -0.97 0.28 1.03 -0.33 0.00 0.00 177.00 177.25 1q82 s ARG 33 N -3.51 3.58 -0.69 5.54 0.52 0.24 -1.50 118.95 123.13 1q82 s ARG 33 Ca 0.71 -0.09 -0.10 0.00 -0.52 0.00 0.00 55.73 55.73 1q82 s ARG 33 Cb -0.23 -3.05 0.18 0.00 0.52 0.00 0.00 34.95 32.37 1q82 s ARG 33 CO 0.31 0.62 0.58 -1.17 0.02 0.00 0.00 175.30 175.66 1q82 s LEU 34 N -1.91 6.08 -0.42 2.53 2.96 0.50 -0.61 118.68 127.81 1q82 s LEU 34 Ca 0.30 -2.56 -0.29 0.00 -0.22 0.00 0.00 54.13 51.36 1q82 s LEU 34 Cb -0.13 -2.07 0.01 0.00 0.50 0.00 0.00 46.19 44.50 1q82 s LEU 34 CO 0.18 -0.55 1.43 -0.69 -1.32 0.00 0.00 176.35 175.40 1q82 s VAL 35 N 0.38 3.88 -0.36 1.68 1.01 0.26 -1.92 120.40 125.34 1q82 s VAL 35 Ca 0.15 0.89 -0.11 0.00 0.00 0.00 0.00 61.98 62.90 1q82 s VAL 35 Cb -0.17 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.03 1q82 s VAL 35 CO -0.05 -0.76 0.20 0.00 0.00 0.00 0.00 175.10 174.48 1q82 s ALA 36 N 5.54 3.30 0.10 5.51 0.00 -0.78 -0.71 121.76 134.72 1q82 s ALA 36 Ca 0.62 -1.62 0.06 0.00 0.00 0.00 0.00 51.96 51.02 1q82 s ALA 36 Cb -0.14 -2.55 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 1q82 s ALA 36 CO 0.32 -1.24 -0.15 1.03 0.00 0.00 0.00 175.76 175.73 1q82 s ARG 37 N 1.58 0.95 0.36 0.00 1.81 -0.35 -4.53 118.95 118.77 1q82 s ARG 37 Ca 0.03 -1.12 0.05 0.00 -1.72 0.00 0.00 55.73 52.97 1q82 s ARG 37 Cb -0.18 -0.91 -0.07 0.00 -0.45 0.00 0.00 34.95 33.34 1q82 s ARG 37 CO 0.07 0.19 0.04 0.15 -0.68 0.00 0.00 175.30 175.07 1q82 s LYS 38 N -2.26 1.77 0.15 3.54 1.02 -1.26 -0.10 119.74 122.60 1q82 s LYS 38 Ca 0.04 -1.99 -0.09 0.00 0.02 0.00 0.00 55.97 53.95 1q82 s LYS 38 Cb -0.07 -1.15 -0.01 0.00 -0.52 0.00 0.00 37.83 36.08 1q82 s LYS 38 CO 0.03 -0.14 0.28 0.45 -0.92 0.00 0.00 175.35 175.04 1q82 s SER 39 N -3.57 0.04 0.42 2.83 0.15 -0.26 -4.92 113.70 108.38 1q82 s SER 39 Ca 0.36 -0.81 0.14 0.00 0.70 0.00 0.00 55.95 56.34 1q82 s SER 39 Cb 0.09 0.42 1.00 0.00 -1.71 0.00 0.00 66.02 65.82 1q82 s SER 39 CO 0.16 -0.87 1.95 0.78 1.20 0.00 0.00 173.24 176.46 1q82 h ASN 40 N 2.57 0.42 0.00 5.45 2.35 -2.00 -3.16 115.58 121.20 1q82 h ASN 40 Ca -0.32 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.43 1q82 h ASN 40 Cb 1.22 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.52 1q82 h ASN 40 CO 0.49 0.24 -1.54 0.29 -1.65 0.00 0.00 177.43 175.26 1q82 n LYS 41 N -4.48 0.48 -4.51 0.81 5.02 -1.26 -4.76 118.16 109.46 1q82 n LYS 41 Ca 0.12 -0.10 -0.26 0.00 -2.02 0.00 0.00 58.31 56.06 1q82 n LYS 41 Cb 0.43 -1.27 -0.08 0.00 -0.02 0.00 0.00 35.03 34.09 1q82 n LYS 41 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1q82 s HIS 42 N -2.77 1.78 -0.06 2.13 3.76 -1.20 -2.22 115.29 116.72 1q82 s HIS 42 Ca -0.04 -1.32 -0.03 0.00 -0.15 0.00 0.00 55.06 53.52 1q82 s HIS 42 Cb 0.07 -1.14 0.04 0.00 1.11 0.00 0.00 32.58 32.67 1q82 s HIS 42 CO 0.48 -0.34 0.13 0.08 -0.85 0.00 0.00 174.74 174.24 1q82 s VAL 43 N -3.21 -0.10 0.11 -0.90 1.01 -1.25 -1.11 120.40 114.95 1q82 s VAL 43 Ca 0.24 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.52 1q82 s VAL 43 Cb 0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 1q82 s VAL 43 CO 0.15 0.10 -0.10 -0.60 0.00 0.00 0.00 175.10 174.65 1q82 s ARG 44 N 1.46 2.14 -0.18 2.72 3.52 0.85 -0.61 118.95 128.86 1q82 s ARG 44 Ca -0.06 -1.02 -0.04 0.00 -0.13 0.00 0.00 55.73 54.47 1q82 s ARG 44 Cb -0.12 -2.31 0.07 0.00 -1.56 0.00 0.00 34.95 31.03 1q82 s ARG 44 CO -0.05 0.51 0.15 0.00 -0.81 0.00 0.00 175.30 175.09 1q82 s ALA 45 N -1.23 0.11 0.19 6.12 0.00 0.23 -1.21 121.76 125.97 1q82 s ALA 45 Ca 0.22 -0.03 0.10 0.00 0.00 0.00 0.00 51.96 52.25 1q82 s ALA 45 Cb -0.11 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 1q82 s ALA 45 CO 0.14 -1.15 -0.15 -0.65 0.00 0.00 0.00 175.76 173.95 1q82 s GLN 46 N 2.22 1.85 -0.44 0.00 -0.21 0.11 -0.56 119.66 122.63 1q82 s GLN 46 Ca 0.04 -1.40 0.01 0.00 0.02 0.00 0.00 55.36 54.04 1q82 s GLN 46 Cb -0.16 -2.02 0.12 0.00 1.00 0.00 0.00 33.01 31.95 1q82 s GLN 46 CO -0.10 0.41 0.19 -0.51 -2.12 0.00 0.00 175.29 173.16 1q82 s LEU 47 N -2.83 4.85 0.04 2.90 1.43 0.55 0.92 118.68 126.53 1q82 s LEU 47 Ca 0.24 -2.42 -0.07 0.00 -1.03 0.00 0.00 54.13 50.84 1q82 s LEU 47 Cb -0.08 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 1q82 s LEU 47 CO 0.13 -0.38 0.32 -0.69 0.23 0.00 0.00 176.35 175.96 1q82 s VAL 48 N 0.55 5.22 0.24 -1.59 1.01 0.22 -1.39 120.40 124.66 1q82 s VAL 48 Ca 0.12 0.24 0.09 0.00 0.00 0.00 0.00 61.98 62.44 1q82 s VAL 48 Cb -0.22 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 1q82 s VAL 48 CO -0.05 0.31 -0.14 0.28 0.00 0.00 0.00 175.10 175.50 1q82 s THR 49 N -1.36 1.94 0.27 3.92 -1.32 0.27 -0.59 115.64 118.77 1q82 s THR 49 Ca 0.31 -2.25 -0.28 0.00 -1.21 0.00 0.00 61.69 58.25 1q82 s THR 49 Cb -0.13 -2.20 -0.09 0.00 -1.51 0.00 0.00 72.50 68.57 1q82 s THR 49 CO 0.18 -0.49 0.95 -0.22 -2.21 0.00 0.00 174.62 172.83 1q82 s LEU 50 N -3.40 4.52 0.07 9.08 2.96 -1.26 0.13 118.68 130.78 1q82 s LEU 50 Ca 0.26 1.92 0.00 0.00 -0.22 0.00 0.00 54.13 56.09 1q82 s LEU 50 Cb -0.01 -3.77 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 1q82 s LEU 50 CO 0.10 0.06 -0.05 -0.83 -1.32 0.00 0.00 176.35 174.31 1q82 s GLY 51 N -1.34 0.57 0.38 7.98 0.00 -0.51 -4.71 107.32 109.70 1q82 s GLY 51 Ca 0.45 -1.18 0.12 0.00 0.00 0.00 0.00 44.72 44.10 1q82 s GLY 51 CO 0.29 -1.28 1.88 -2.55 0.00 0.00 0.00 173.10 171.44 1q82 h PRO 52 N 3.30 0.56 -0.10 2.90 0.11 -1.97 -2.43 132.00 134.37 1q82 h PRO 52 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1q82 h PRO 52 Cb 1.16 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1q82 h PRO 52 CO 0.62 0.37 0.00 0.09 -0.21 0.00 0.00 178.00 178.86 1q82 n ASN 53 N -4.53 2.40 0.00 -2.05 3.02 -1.26 -5.08 115.26 107.77 1q82 n ASN 53 Ca 0.17 -2.25 0.00 0.00 -0.03 0.00 0.00 54.58 52.46 1q82 n ASN 53 Cb 0.51 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 1q82 n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q82 n GLY 54 N -0.42 0.50 3.76 7.41 0.00 -0.91 -5.12 105.19 110.40 1q82 n GLY 54 Ca 0.07 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 1q82 n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q82 s ASP 55 N -0.11 5.05 -0.10 1.61 1.01 -1.26 -1.43 116.67 121.44 1q82 s ASP 55 Ca 0.00 2.17 0.04 0.00 0.71 0.00 0.00 52.55 55.47 1q82 s ASP 55 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1q82 s ASP 55 CO 0.00 -1.68 -0.23 -1.81 0.21 0.00 0.00 175.17 171.66 1q82 s ASP 56 N -2.14 3.04 -0.36 0.27 1.01 0.12 -4.80 116.67 113.81 1q82 s ASP 56 Ca 0.71 -0.55 -0.14 0.00 0.71 0.00 0.00 52.55 53.29 1q82 s ASP 56 Cb -0.25 -1.39 -0.01 0.00 1.01 0.00 0.00 42.92 42.29 1q82 s ASP 56 CO 0.38 0.15 0.27 -0.89 0.21 0.00 0.00 175.17 175.29 1q82 s THR 57 N 0.38 5.27 -0.54 -1.27 2.01 -1.26 0.94 115.64 121.17 1q82 s THR 57 Ca -0.18 -0.31 0.24 0.00 0.31 0.00 0.00 61.69 61.74 1q82 s THR 57 Cb -0.18 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.56 1q82 s THR 57 CO 0.08 -0.09 1.20 -0.07 -0.69 0.00 0.00 174.62 175.05 1q82 h LEU 58 N 8.55 0.00 -7.00 4.42 4.07 -1.61 -3.48 115.31 120.27 1q82 h LEU 58 Ca -0.30 -0.19 0.06 0.00 0.08 0.00 0.00 57.88 57.52 1q82 h LEU 58 Cb 1.15 0.00 -0.26 0.00 1.08 0.00 0.00 40.66 42.63 1q82 h LEU 58 CO 0.66 0.10 0.44 0.00 -1.08 0.00 0.00 178.44 178.56 1q82 s ALA 59 N -3.22 -1.97 0.20 1.53 0.00 -1.24 -4.89 121.76 112.17 1q82 s ALA 59 Ca 0.04 1.88 -0.08 0.00 0.00 0.00 0.00 51.96 53.80 1q82 s ALA 59 Cb 0.13 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 1q82 s ALA 59 CO 0.75 -0.24 0.31 -1.54 0.00 0.00 0.00 175.76 175.04 1q82 s SER 60 N 0.23 0.03 -0.20 0.00 1.04 -1.26 -0.33 113.70 113.21 1q82 s SER 60 Ca 0.03 -1.00 -0.12 0.00 0.48 0.00 0.00 55.95 55.34 1q82 s SER 60 Cb -0.05 0.47 0.06 0.00 0.10 0.00 0.00 66.02 66.60 1q82 s SER 60 CO -0.06 -0.96 0.49 0.00 0.98 0.00 0.00 173.24 173.69 1q82 s ALA 61 N -4.02 -1.26 -0.07 5.32 0.00 0.27 -4.55 121.76 117.45 1q82 s ALA 61 Ca 0.23 1.68 0.04 0.00 0.00 0.00 0.00 51.96 53.91 1q82 s ALA 61 Cb 0.03 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.13 1q82 s ALA 61 CO 0.05 -0.28 -0.18 -1.58 0.00 0.00 0.00 175.76 173.78 1q82 s HIS 62 N 1.18 2.64 0.24 0.00 2.46 -1.26 -0.60 115.29 119.95 1q82 s HIS 62 Ca -0.07 -0.43 0.25 0.00 0.47 0.00 0.00 55.06 55.27 1q82 s HIS 62 Cb -0.07 -1.66 1.35 0.00 -0.13 0.00 0.00 32.58 32.07 1q82 s HIS 62 CO -0.11 -0.02 1.73 0.66 -2.47 0.00 0.00 174.74 174.52 1q82 h SER 63 N 5.86 0.00 -0.00 9.88 4.64 -1.20 -2.53 113.55 130.19 1q82 h SER 63 Ca -0.38 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.92 1q82 h SER 63 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1q82 h SER 63 CO 0.50 0.00 -0.09 0.77 -0.87 0.00 0.00 176.83 177.14 1q82 h SER 64 N 0.00 0.08 0.00 4.97 4.64 -1.92 -3.16 113.55 118.16 1q82 h SER 64 Ca 0.00 -0.78 0.00 0.00 -0.47 0.00 0.00 61.79 60.54 1q82 h SER 64 Cb 0.38 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1q82 h SER 64 CO 0.00 0.85 0.00 -0.90 -0.87 0.00 0.00 176.83 175.91 1q82 n ASP 65 N -4.64 1.14 0.06 4.97 5.75 -0.95 -2.64 116.55 120.24 1q82 n ASP 65 Ca -0.10 -1.41 -0.21 0.00 -0.01 0.00 0.00 54.79 53.06 1q82 n ASP 65 Cb 0.43 -0.35 -0.15 0.00 -1.03 0.00 0.00 41.12 40.02 1q82 n ASP 65 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1q82 h LEU 66 N 0.60 0.51 -1.37 -2.12 5.85 -1.61 -3.30 115.31 113.87 1q82 h LEU 66 Ca 0.00 -0.82 0.06 0.00 0.84 0.00 0.00 57.88 57.96 1q82 h LEU 66 Cb 0.46 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1q82 h LEU 66 CO 0.00 1.70 0.48 0.00 -0.34 0.00 0.00 178.44 180.28 1q82 h ALA 67 N 0.22 1.69 0.00 1.25 0.00 -1.71 -0.29 119.26 120.43 1q82 h ALA 67 Ca -0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1q82 h ALA 67 Cb 2.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1q82 h ALA 67 CO 0.16 0.20 0.46 -1.91 0.00 0.00 0.00 179.25 178.16 1q82 n GLU 68 N -4.48 0.06 -0.03 0.00 2.13 -1.24 0.19 120.64 117.27 1q82 n GLU 68 Ca 0.10 0.51 0.03 0.00 0.66 0.00 0.00 57.16 58.46 1q82 n GLU 68 Cb 0.22 -2.15 0.04 0.00 0.27 0.00 0.00 31.44 29.82 1q82 n GLU 68 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1q82 n TYR 69 N -1.89 0.07 0.00 4.31 4.02 -0.12 -4.97 117.16 118.58 1q82 n TYR 69 Ca -0.01 -0.18 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 1q82 n TYR 69 Cb 0.47 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.78 1q82 n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1q82 n GLY 70 N 0.17 1.81 3.70 2.72 0.00 0.50 -5.00 105.19 109.09 1q82 n GLY 70 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1q82 n GLY 70 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1q82 s TRP 71 N -2.00 3.55 -0.03 1.61 -0.00 -1.13 -4.90 118.94 116.03 1q82 s TRP 71 Ca 0.00 1.34 0.05 0.00 -0.00 0.00 0.00 56.10 57.49 1q82 s TRP 71 Cb 0.00 -2.92 0.07 0.00 -0.00 0.00 0.00 33.47 30.62 1q82 s TRP 71 CO 0.00 -0.02 0.94 -1.91 -0.00 0.00 0.00 176.95 175.96 1q82 n GLU 72 N 4.17 1.60 -4.15 5.86 2.13 -1.26 -4.38 120.64 124.61 1q82 n GLU 72 Ca 0.02 -1.52 -0.27 0.00 0.66 0.00 0.00 57.16 56.06 1q82 n GLU 72 Cb 0.51 -0.97 -0.05 0.00 0.27 0.00 0.00 31.44 31.20 1q82 n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1q82 s ALA 73 N -1.16 3.97 1.09 4.31 0.00 -1.26 -4.41 121.76 124.30 1q82 s ALA 73 Ca 0.08 -1.51 -0.16 0.00 0.00 0.00 0.00 51.96 50.38 1q82 s ALA 73 Cb 0.07 -0.43 0.13 0.00 0.00 0.00 0.00 23.12 22.89 1q82 s ALA 73 CO 0.01 -0.23 0.34 -2.30 0.00 0.00 0.00 175.76 173.58 1q82 n PRO 74 N -1.42 -1.47 -0.02 0.00 -0.02 -1.26 -4.97 135.00 125.85 1q82 n PRO 74 Ca -0.04 -0.40 0.01 0.00 -2.02 0.00 0.00 63.50 61.04 1q82 n PRO 74 Cb 0.65 -1.86 0.01 0.00 -0.02 0.00 0.00 33.50 32.29 1q82 n PRO 74 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1q82 n THR 75 N -4.37 0.90 -1.82 3.45 -2.24 -1.26 -4.77 114.28 104.18 1q82 n THR 75 Ca 0.03 -0.94 -0.27 0.00 -2.27 0.00 0.00 64.05 60.60 1q82 n THR 75 Cb 0.58 0.51 0.04 0.00 -2.10 0.00 0.00 70.33 69.36 1q82 n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q82 n GLY 76 N -0.50 6.25 3.49 3.38 0.00 -0.94 -3.87 105.19 112.99 1q82 n GLY 76 Ca 0.02 -2.56 -0.25 0.00 0.00 0.00 0.00 46.02 43.23 1q82 n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q82 s ASN 77 N -3.08 2.63 0.14 1.61 2.20 -1.26 -4.97 114.94 112.21 1q82 s ASN 77 Ca 0.55 -1.65 -0.19 0.00 -0.94 0.00 0.00 52.86 50.64 1q82 s ASN 77 Cb 0.44 0.45 -0.00 0.00 -2.00 0.00 0.00 41.25 40.14 1q82 s ASN 77 CO 0.03 -0.91 1.74 0.24 -2.94 0.00 0.00 177.10 175.25 1q82 h MET 78 N 1.86 0.15 -0.63 3.55 2.86 -1.88 -1.07 114.93 119.77 1q82 h MET 78 Ca -0.35 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.26 1q82 h MET 78 Cb 1.27 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.87 1q82 h MET 78 CO 0.57 0.10 0.31 -1.35 1.06 0.00 0.00 176.91 177.59 1q82 h PRO 79 N 0.15 0.88 0.45 -0.22 0.11 -1.73 -1.54 132.00 130.10 1q82 h PRO 79 Ca 0.11 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 1q82 h PRO 79 Cb 0.11 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1q82 h PRO 79 CO -0.15 0.67 -0.22 1.03 -0.21 0.00 0.00 178.00 179.13 1q82 h SER 80 N 0.88 -0.51 -0.15 -2.05 0.87 -1.77 -2.63 113.55 108.19 1q82 h SER 80 Ca 0.22 -0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.80 1q82 h SER 80 Cb 0.08 0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 62.11 1q82 h SER 80 CO -0.03 -0.30 -0.30 0.00 -0.53 0.00 0.00 176.83 175.67 1q82 h ALA 81 N -0.18 -0.32 -0.25 6.23 0.00 -0.82 0.11 119.26 124.03 1q82 h ALA 81 Ca -0.06 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1q82 h ALA 81 Cb 0.51 0.58 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 1q82 h ALA 81 CO 0.10 -0.77 -0.24 -0.92 0.00 0.00 0.00 179.25 177.42 1q82 h TYR 82 N -0.37 -0.64 -0.11 0.00 3.20 -1.31 -0.02 116.97 117.72 1q82 h TYR 82 Ca 0.10 0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.04 1q82 h TYR 82 Cb 0.53 0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 1q82 h TYR 82 CO -0.40 -0.32 -0.05 -0.07 -1.64 0.00 0.00 178.16 175.68 1q82 h LEU 83 N -0.25 -0.17 -1.20 2.82 3.38 -1.06 0.19 115.31 119.02 1q82 h LEU 83 Ca 0.14 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.24 1q82 h LEU 83 Cb 0.46 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1q82 h LEU 83 CO -0.39 -0.07 0.57 0.74 0.09 0.00 0.00 178.44 179.39 1q82 h THR 84 N -0.04 0.98 -0.00 0.22 2.02 -0.60 0.52 112.91 116.02 1q82 h THR 84 Ca 0.06 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1q82 h THR 84 Cb 0.13 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.55 1q82 h THR 84 CO -0.14 0.16 0.00 1.23 0.37 0.00 0.00 175.52 177.15 1q82 h GLY 85 N 0.89 0.00 0.97 2.16 0.00 0.54 -0.21 103.07 107.42 1q82 h GLY 85 Ca 0.41 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 1q82 h GLY 85 CO -0.17 0.00 0.23 -2.00 0.00 0.00 0.00 176.54 174.60 1q82 h LEU 86 N -0.09 0.52 0.44 3.11 5.85 0.50 0.50 115.31 126.14 1q82 h LEU 86 Ca 0.00 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1q82 h LEU 86 Cb 0.10 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1q82 h LEU 86 CO -0.00 0.45 -0.39 0.25 -0.34 0.00 0.00 178.44 178.41 1q82 h LEU 87 N 0.54 -1.03 -1.23 2.25 5.85 0.20 0.19 115.31 122.09 1q82 h LEU 87 Ca 0.15 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.97 1q82 h LEU 87 Cb 0.05 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1q82 h LEU 87 CO -0.02 -0.55 0.53 0.00 -0.34 0.00 0.00 178.44 178.05 1q82 h ALA 88 N -0.46 1.46 -0.42 1.25 0.00 -0.96 -1.49 119.26 118.64 1q82 h ALA 88 Ca -0.04 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1q82 h ALA 88 Cb 0.72 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1q82 h ALA 88 CO -0.03 0.48 0.16 0.78 0.00 0.00 0.00 179.25 180.64 1q82 h GLY 89 N 1.04 0.55 0.84 0.00 0.00 0.92 -0.52 103.07 105.90 1q82 h GLY 89 Ca 0.30 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 1q82 h GLY 89 CO -0.08 0.03 -0.04 1.41 0.00 0.00 0.00 176.54 177.87 1q82 h LEU 90 N 0.33 -0.10 -2.02 3.11 3.38 0.31 -1.51 115.31 118.81 1q82 h LEU 90 Ca 0.19 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.10 1q82 h LEU 90 Cb 0.17 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1q82 h LEU 90 CO -0.19 0.08 0.18 0.03 0.09 0.00 0.00 178.44 178.63 1q82 h ARG 91 N -0.28 0.00 0.31 1.13 3.08 -1.21 -0.74 114.38 116.67 1q82 h ARG 91 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1q82 h ARG 91 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1q82 h ARG 91 CO 0.02 0.00 -0.15 0.00 -1.07 0.00 0.00 179.97 178.77 1q82 h ALA 92 N 1.87 -0.42 -0.46 0.04 0.00 -0.52 -2.03 119.26 117.74 1q82 h ALA 92 Ca 0.12 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1q82 h ALA 92 Cb 0.48 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 1q82 h ALA 92 CO -0.00 -0.61 -0.10 1.96 0.00 0.00 0.00 179.25 180.51 1q82 h GLN 93 N -0.69 0.02 -0.98 0.00 1.08 -0.18 0.60 115.11 114.95 1q82 h GLN 93 Ca -0.04 -0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.33 1q82 h GLN 93 Cb 0.48 -0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.81 1q82 h GLN 93 CO 0.07 0.01 0.61 0.93 -0.95 0.00 0.00 178.83 179.51 1q82 h GLU 94 N 0.02 0.75 0.00 1.46 4.39 -1.09 0.30 114.58 120.41 1q82 h GLU 94 Ca 0.22 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1q82 h GLU 94 Cb 0.34 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1q82 h GLU 94 CO -0.46 0.50 0.00 0.00 -1.16 0.00 0.00 179.01 177.89 1q82 n ALA 95 N -2.37 1.63 -0.35 3.43 0.00 0.16 -4.83 120.51 118.18 1q82 n ALA 95 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1q82 n ALA 95 Cb 0.53 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1q82 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q82 n GLY 96 N -0.16 0.79 3.69 0.00 0.00 0.11 -5.05 105.19 104.56 1q82 n GLY 96 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1q82 n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q82 s VAL 97 N -2.16 4.88 -0.06 1.61 1.01 -0.95 -4.97 120.40 119.77 1q82 s VAL 97 Ca 0.00 1.81 0.11 0.00 0.00 0.00 0.00 61.98 63.90 1q82 s VAL 97 Cb 0.00 -4.21 -0.17 0.00 0.00 0.00 0.00 36.38 32.00 1q82 s VAL 97 CO 0.00 0.08 0.17 -0.62 0.00 0.00 0.00 175.10 174.74 1q82 n GLU 98 N 4.66 1.10 -3.83 2.72 1.02 -1.26 -3.97 120.64 121.07 1q82 n GLU 98 Ca 0.05 -0.07 -0.11 0.00 -0.02 0.00 0.00 57.16 57.01 1q82 n GLU 98 Cb 0.50 -1.29 -0.08 0.00 -0.02 0.00 0.00 31.44 30.54 1q82 n GLU 98 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1q82 s GLU 99 N -2.61 0.68 0.24 3.49 -1.05 -1.26 -1.01 118.70 117.17 1q82 s GLU 99 Ca -0.05 -0.56 -0.19 0.00 -0.15 0.00 0.00 54.97 54.02 1q82 s GLU 99 Cb 0.06 0.28 0.02 0.00 -0.44 0.00 0.00 34.13 34.06 1q82 s GLU 99 CO 0.49 -0.19 0.63 0.00 0.95 0.00 0.00 175.26 177.13 1q82 s ALA 100 N -2.32 -1.06 0.04 -0.84 0.00 -0.69 -3.94 121.76 112.94 1q82 s ALA 100 Ca -0.07 -0.27 0.07 0.00 0.00 0.00 0.00 51.96 51.69 1q82 s ALA 100 Cb -0.02 0.89 -0.03 0.00 0.00 0.00 0.00 23.12 23.95 1q82 s ALA 100 CO -0.02 -0.93 -0.18 0.08 0.00 0.00 0.00 175.76 174.71 1q82 s VAL 101 N -3.90 2.79 -0.25 0.00 1.01 -0.56 -3.97 120.40 115.51 1q82 s VAL 101 Ca 0.11 -1.20 -0.27 0.00 0.00 0.00 0.00 61.98 60.62 1q82 s VAL 101 Cb -0.03 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1q82 s VAL 101 CO 0.02 0.32 0.94 -0.22 0.00 0.00 0.00 175.10 176.17 1q82 s LEU 102 N -1.47 4.07 -0.31 3.92 2.96 -1.26 -0.37 118.68 126.21 1q82 s LEU 102 Ca 0.15 1.14 -0.09 0.00 -0.22 0.00 0.00 54.13 55.11 1q82 s LEU 102 Cb -0.10 -3.36 -0.00 0.00 0.50 0.00 0.00 46.19 43.22 1q82 s LEU 102 CO 0.05 -0.63 0.15 -0.62 -1.32 0.00 0.00 176.35 173.98 1q82 s ASP 103 N 1.35 5.50 -0.20 3.68 -1.08 -0.81 -4.91 116.67 120.20 1q82 s ASP 103 Ca 0.40 -0.60 0.16 0.00 -0.52 0.00 0.00 52.55 51.98 1q82 s ASP 103 Cb -0.15 -1.98 0.57 0.00 -1.46 0.00 0.00 42.92 39.90 1q82 s ASP 103 CO 0.08 -0.21 1.47 2.30 0.52 0.00 0.00 175.17 179.33 1q82 n ILE 104 N 4.96 2.38 -0.88 4.11 -5.35 -1.26 -1.86 119.36 121.46 1q82 n ILE 104 Ca -0.14 -1.87 0.00 0.00 -0.27 0.00 0.00 62.75 60.48 1q82 n ILE 104 Cb 0.49 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.12 1q82 n ILE 104 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1q82 n GLY 105 N -0.41 2.50 0.54 3.28 0.00 -1.26 -1.46 105.19 108.38 1q82 n GLY 105 Ca 0.23 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.13 1q82 n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q82 n LEU 106 N 0.00 1.54 -4.86 0.99 4.77 -1.26 -4.90 117.00 113.28 1q82 n LEU 106 Ca 0.00 -0.77 -0.30 0.00 -0.03 0.00 0.00 56.01 54.91 1q82 n LEU 106 Cb 0.00 -0.23 0.06 0.00 -2.33 0.00 0.00 43.42 40.91 1q82 n LEU 106 CO 0.00 0.34 0.74 0.20 -1.33 0.00 0.00 177.39 177.34 1q82 s ASN 107 N -0.88 5.23 -0.14 -1.43 -0.87 -0.54 -5.06 114.94 111.25 1q82 s ASN 107 Ca 0.17 1.20 -0.09 0.00 -1.57 0.00 0.00 52.86 52.57 1q82 s ASN 107 Cb 0.10 -1.99 -0.05 0.00 -0.02 0.00 0.00 41.25 39.28 1q82 s ASN 107 CO 0.10 -1.49 0.17 -0.44 -2.57 0.00 0.00 177.10 172.88 1q82 s SER 108 N -4.22 6.36 0.00 -1.22 0.01 -1.26 -4.97 113.70 108.39 1q82 s SER 108 Ca 0.59 0.42 0.00 0.00 1.31 0.00 0.00 55.95 58.27 1q82 s SER 108 Cb -0.12 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 64.01 1q82 s SER 108 CO 0.53 0.29 0.40 -2.65 0.41 0.00 0.00 173.24 172.21 1q82 n PRO 109 N 2.70 0.30 -1.98 12.44 -0.02 -1.26 -4.88 135.00 142.30 1q82 n PRO 109 Ca -0.17 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.90 1q82 n PRO 109 Cb 0.53 -1.35 -0.01 0.00 -0.02 0.00 0.00 33.50 32.65 1q82 n PRO 109 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1q82 s THR 110 N 0.95 2.46 0.46 3.45 2.01 -1.26 -4.96 115.64 118.75 1q82 s THR 110 Ca 0.00 0.44 -0.24 0.00 0.31 0.00 0.00 61.69 62.20 1q82 s THR 110 Cb 0.00 -3.28 -0.08 0.00 0.01 0.00 0.00 72.50 69.15 1q82 s THR 110 CO 0.00 0.10 1.36 -2.84 -0.69 0.00 0.00 174.62 172.55 1q82 s PRO 111 N -1.54 3.65 -0.14 4.92 0.02 -1.26 -2.36 135.00 138.28 1q82 s PRO 111 Ca 0.53 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.81 1q82 s PRO 111 Cb -0.43 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 31.52 1q82 s PRO 111 CO 0.54 -0.79 0.00 0.41 -0.33 0.00 0.00 177.00 176.83 1q82 n GLY 112 N 0.63 0.30 3.78 0.52 0.00 -0.52 -4.93 105.19 104.96 1q82 n GLY 112 Ca 0.06 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1q82 n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q82 s SER 113 N -2.09 4.53 0.33 1.61 0.01 -1.00 -4.65 113.70 112.45 1q82 s SER 113 Ca 0.00 1.66 0.04 0.00 1.31 0.00 0.00 55.95 58.95 1q82 s SER 113 Cb 0.00 -2.40 0.58 0.00 0.21 0.00 0.00 66.02 64.41 1q82 s SER 113 CO 0.00 -1.99 1.87 0.11 0.41 0.00 0.00 173.24 173.63 1q82 h LYS 114 N -1.10 0.56 -0.68 12.44 1.57 -1.94 -1.61 116.57 125.81 1q82 h LYS 114 Ca -0.45 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.20 1q82 h LYS 114 Cb 1.24 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 1q82 h LYS 114 CO 0.54 0.58 0.40 -0.39 -0.57 0.00 0.00 179.45 180.01 1q82 h VAL 115 N 0.54 1.20 0.00 0.50 -1.51 -1.94 0.60 116.25 115.63 1q82 h VAL 115 Ca 0.12 -0.45 -0.11 0.00 -1.23 0.00 0.00 66.70 65.03 1q82 h VAL 115 Cb 0.33 0.24 -0.02 0.00 -2.13 0.00 0.00 31.29 29.72 1q82 h VAL 115 CO 0.01 0.21 -0.52 -0.26 -1.23 0.00 0.00 177.57 175.78 1q82 h PHE 116 N 0.94 0.00 -0.09 5.19 0.05 -1.79 -0.66 116.94 120.57 1q82 h PHE 116 Ca 0.25 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 62.01 1q82 h PHE 116 Cb -0.02 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 37.93 1q82 h PHE 116 CO 0.00 0.52 -0.06 0.00 -0.18 0.00 0.00 178.31 178.60 1q82 h ALA 117 N 1.48 0.13 -0.67 2.45 0.00 -0.04 0.14 119.26 122.75 1q82 h ALA 117 Ca -0.01 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 54.74 1q82 h ALA 117 Cb 1.08 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1q82 h ALA 117 CO 0.07 -0.09 0.30 0.82 0.00 0.00 0.00 179.25 180.35 1q82 h ILE 118 N -0.17 0.80 -0.68 0.00 2.04 0.41 -0.14 117.51 119.77 1q82 h ILE 118 Ca 0.02 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1q82 h ILE 118 Cb 0.52 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1q82 h ILE 118 CO 0.02 0.09 0.39 -0.61 0.00 0.00 0.00 178.15 178.03 1q82 h GLN 119 N 0.51 0.92 -0.44 2.37 4.15 -0.72 -1.45 115.11 120.46 1q82 h GLN 119 Ca 0.34 -0.09 -0.08 0.00 0.77 0.00 0.00 58.65 59.59 1q82 h GLN 119 Cb 0.39 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1q82 h GLN 119 CO -0.29 0.67 -0.03 1.49 -1.93 0.00 0.00 178.83 178.73 1q82 h GLU 120 N 0.94 0.79 0.33 1.69 4.81 0.76 -2.04 114.58 121.86 1q82 h GLU 120 Ca 0.24 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1q82 h GLU 120 Cb -0.00 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1q82 h GLU 120 CO -0.04 0.88 -0.23 0.78 -0.73 0.00 0.00 179.01 179.66 1q82 h GLY 121 N 0.63 -0.58 0.47 1.92 0.00 -0.52 -1.46 103.07 103.52 1q82 h GLY 121 Ca 0.12 0.26 0.13 0.00 0.00 0.00 0.00 47.33 47.84 1q82 h GLY 121 CO 0.03 -0.23 0.62 0.00 0.00 0.00 0.00 176.54 176.97 1q82 h ALA 122 N 0.06 1.57 0.02 3.60 0.00 -1.17 -0.51 119.26 122.84 1q82 h ALA 122 Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1q82 h ALA 122 Cb 0.48 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1q82 h ALA 122 CO 0.01 0.18 -0.01 0.82 0.00 0.00 0.00 179.25 180.25 1q82 h ILE 123 N 0.95 1.04 -0.07 0.00 2.04 -0.89 -2.57 117.51 118.01 1q82 h ILE 123 Ca 0.49 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 66.15 1q82 h ILE 123 Cb 0.53 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1q82 h ILE 123 CO -0.26 0.05 -0.04 0.44 0.00 0.00 0.00 178.15 178.33 1q82 h ASP 124 N -0.11 0.09 0.28 1.72 3.32 -0.53 0.12 116.42 121.31 1q82 h ASP 124 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1q82 h ASP 124 Cb 0.10 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1q82 h ASP 124 CO 0.00 0.15 0.00 0.00 -1.72 0.00 0.00 179.24 177.68 1q82 h ALA 125 N 1.86 1.00 0.00 3.45 0.00 -0.80 -3.45 119.26 121.32 1q82 h ALA 125 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1q82 h ALA 125 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1q82 h ALA 125 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1q82 n GLY 126 N -0.78 1.03 3.75 0.00 0.00 0.40 -4.69 105.19 104.89 1q82 n GLY 126 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1q82 n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1q82 s LEU 127 N 0.00 4.49 -0.51 0.99 2.96 -1.00 -4.97 118.68 120.64 1q82 s LEU 127 Ca 0.00 2.28 -0.22 0.00 -0.22 0.00 0.00 54.13 55.97 1q82 s LEU 127 Cb 0.00 -3.62 0.04 0.00 0.50 0.00 0.00 46.19 43.12 1q82 s LEU 127 CO 0.00 -0.30 0.78 -0.62 -1.32 0.00 0.00 176.35 174.89 1q82 s ASP 128 N -0.28 6.31 -0.08 3.68 -1.08 -0.18 -4.25 116.67 120.79 1q82 s ASP 128 Ca 0.49 -0.51 0.02 0.00 -0.52 0.00 0.00 52.55 52.03 1q82 s ASP 128 Cb -0.33 -2.37 0.02 0.00 -1.46 0.00 0.00 42.92 38.78 1q82 s ASP 128 CO 0.39 -1.02 -0.11 -0.63 0.52 0.00 0.00 175.17 174.33 1q82 s ILE 129 N 3.27 1.12 -0.24 4.11 1.01 -1.26 -1.70 121.20 127.51 1q82 s ILE 129 Ca 0.24 -0.44 -0.29 0.00 0.00 0.00 0.00 60.65 60.16 1q82 s ILE 129 Cb -0.15 -1.04 -0.06 0.00 0.01 0.00 0.00 42.46 41.22 1q82 s ILE 129 CO 0.17 0.36 2.23 -2.65 0.00 0.00 0.00 174.94 175.05 1q82 n PRO 130 N 4.08 1.85 -2.74 2.79 -0.02 -1.25 -4.90 135.00 134.79 1q82 n PRO 130 Ca -0.21 0.50 -0.07 0.00 -2.02 0.00 0.00 63.50 61.71 1q82 n PRO 130 Cb 0.51 -3.15 -0.03 0.00 -0.02 0.00 0.00 33.50 30.81 1q82 n PRO 130 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1q82 n HIS 131 N 11.56 -0.25 -3.53 6.00 1.44 -1.26 -4.76 115.22 124.42 1q82 n HIS 131 Ca 0.31 -0.93 -0.21 0.00 -2.01 0.00 0.00 57.72 54.89 1q82 n HIS 131 Cb 0.42 0.09 -0.14 0.00 0.12 0.00 0.00 29.99 30.48 1q82 n HIS 131 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1q82 s ASN 132 N -1.77 1.66 0.32 4.39 3.84 -1.26 -5.06 114.94 117.05 1q82 s ASN 132 Ca 0.13 -0.33 0.07 0.00 0.21 0.00 0.00 52.86 52.93 1q82 s ASN 132 Cb 0.01 0.19 0.74 0.00 -0.55 0.00 0.00 41.25 41.64 1q82 s ASN 132 CO 0.09 -0.33 1.82 0.44 -2.79 0.00 0.00 177.10 176.33 1q82 h ASP 133 N 8.34 0.76 -0.41 -4.21 3.32 -2.00 -2.75 116.42 119.46 1q82 h ASP 133 Ca -0.16 0.07 -0.22 0.00 0.02 0.00 0.00 57.03 56.74 1q82 h ASP 133 Cb 1.15 -0.08 -0.13 0.00 0.22 0.00 0.00 39.33 40.50 1q82 h ASP 133 CO 0.28 0.33 0.28 -0.90 -1.72 0.00 0.00 179.24 177.51 1q82 n ASP 134 N -4.66 3.38 0.00 6.45 5.68 -1.26 -2.39 116.55 123.76 1q82 n ASP 134 Ca 0.21 -2.67 0.00 0.00 -0.50 0.00 0.00 54.79 51.82 1q82 n ASP 134 Cb 0.51 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 1q82 n ASP 134 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1q82 n VAL 135 N -0.17 0.00 -3.36 2.12 3.14 -1.04 -4.99 118.33 114.04 1q82 n VAL 135 Ca 0.25 -0.42 -0.25 0.00 -2.96 0.00 0.00 64.34 60.96 1q82 n VAL 135 Cb 0.98 1.11 -0.01 0.00 -1.06 0.00 0.00 33.84 34.85 1q82 n VAL 135 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1q82 s LEU 136 N -0.49 4.02 0.71 6.55 1.43 -1.00 -1.44 118.68 128.45 1q82 s LEU 136 Ca 0.00 0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 53.48 1q82 s LEU 136 Cb 0.00 -3.35 0.02 0.00 0.03 0.00 0.00 46.19 42.89 1q82 s LEU 136 CO 0.00 -0.28 1.09 0.00 0.23 0.00 0.00 176.35 177.39 1q82 s ALA 137 N -2.28 2.43 -0.03 4.21 0.00 -1.26 -4.38 121.76 120.46 1q82 s ALA 137 Ca 0.41 0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.68 1q82 s ALA 137 Cb -0.10 -3.27 -0.12 0.00 0.00 0.00 0.00 23.12 19.63 1q82 s ALA 137 CO 0.35 -1.44 2.85 -0.40 0.00 0.00 0.00 175.76 177.12 1q82 n ASP 138 N -2.96 5.38 0.00 0.00 5.75 -1.26 -4.88 116.55 118.58 1q82 n ASP 138 Ca 0.09 -2.50 0.00 0.00 -0.01 0.00 0.00 54.79 52.37 1q82 n ASP 138 Cb 0.53 -1.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.34 1q82 n ASP 138 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 1q82 n TRP 139 N 1.93 0.00 -0.05 2.11 -0.00 -1.26 -4.28 117.44 115.89 1q82 n TRP 139 Ca 0.25 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.65 1q82 n TRP 139 Cb 0.72 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.99 1q82 n TRP 139 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 1q82 h GLN 140 N 0.00 0.29 -0.16 5.87 1.08 -1.99 0.88 115.11 121.08 1q82 h GLN 140 Ca 0.00 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 1q82 h GLN 140 Cb 0.00 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 1q82 h GLN 140 CO 0.00 0.22 -0.11 -0.09 -0.95 0.00 0.00 178.83 177.90 1q82 h ARG 141 N 0.28 0.24 -0.66 1.46 2.43 -1.94 -0.87 114.38 115.34 1q82 h ARG 141 Ca 0.08 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 1q82 h ARG 141 Cb -0.01 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1q82 h ARG 141 CO -0.02 0.36 0.10 1.15 -1.51 0.00 0.00 179.97 180.06 1q82 h THR 142 N 0.23 1.26 -0.27 0.20 2.02 -1.64 -2.32 112.91 112.39 1q82 h THR 142 Ca 0.05 -1.03 -0.05 0.00 0.77 0.00 0.00 66.41 66.14 1q82 h THR 142 Cb 0.34 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1q82 h THR 142 CO 0.02 0.39 -0.05 0.03 0.37 0.00 0.00 175.52 176.27 1q82 h ARG 143 N 1.02 0.43 0.00 6.66 3.08 0.05 -2.70 114.38 122.91 1q82 h ARG 143 Ca 0.20 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1q82 h ARG 143 Cb 0.44 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1q82 h ARG 143 CO 0.01 0.50 0.00 0.41 -1.07 0.00 0.00 179.97 179.82 1q82 n GLY 144 N -0.86 1.56 0.34 0.04 0.00 -0.60 -4.47 105.19 101.21 1q82 n GLY 144 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 1q82 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q82 h ALA 145 N 0.00 1.29 -0.27 4.61 0.00 -1.38 -2.44 119.26 121.07 1q82 h ALA 145 Ca 0.00 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1q82 h ALA 145 Cb 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1q82 h ALA 145 CO 0.00 0.57 0.19 1.12 0.00 0.00 0.00 179.25 181.13 1q82 h HIS 146 N 1.04 0.06 0.19 0.00 2.07 -1.83 -0.82 115.15 115.86 1q82 h HIS 146 Ca 0.26 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.45 1q82 h HIS 146 Cb 0.05 -0.02 0.02 0.00 2.57 0.00 0.00 27.41 30.03 1q82 h HIS 146 CO 0.01 0.03 -1.61 0.97 -3.07 0.00 0.00 177.93 174.26 1q82 h ILE 147 N 0.06 1.11 -0.16 6.12 2.10 -1.82 -2.87 117.51 122.05 1q82 h ILE 147 Ca 0.12 -2.65 -0.00 0.00 1.08 0.00 0.00 64.86 63.41 1q82 h ILE 147 Cb 0.42 2.86 -0.01 0.00 -1.09 0.00 0.00 36.82 39.01 1q82 h ILE 147 CO -0.01 0.84 0.09 0.00 -1.08 0.00 0.00 178.15 178.00 1q82 h ALA 148 N 0.22 0.21 0.00 0.18 0.00 -0.97 -1.77 119.26 117.12 1q82 h ALA 148 Ca -0.29 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1q82 h ALA 148 Cb 2.10 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.83 1q82 h ALA 148 CO 0.21 -0.28 -0.12 0.93 0.00 0.00 0.00 179.25 179.99 1q82 h GLU 149 N 0.18 0.00 0.00 0.00 5.08 -1.29 -1.38 114.58 117.17 1q82 h GLU 149 Ca 0.06 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 1q82 h GLU 149 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1q82 h GLU 149 CO -0.01 0.12 -0.49 -0.92 -1.00 0.00 0.00 179.01 176.71 1q82 h TYR 150 N 0.00 0.00 0.00 4.33 3.20 -1.17 -2.38 116.97 120.95 1q82 h TYR 150 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1q82 h TYR 150 Cb 0.24 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1q82 h TYR 150 CO 0.00 0.49 -0.27 -3.47 -1.64 0.00 0.00 178.16 173.27 1q82 n ASP 151 N -3.65 0.58 0.11 -2.11 -0.08 -0.56 -3.11 116.55 107.74 1q82 n ASP 151 Ca -0.01 0.31 -0.00 0.00 -1.51 0.00 0.00 54.79 53.58 1q82 n ASP 151 Cb 0.56 -0.29 0.28 0.00 2.34 0.00 0.00 41.12 44.01 1q82 n ASP 151 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1q82 h GLU 152 N 0.00 0.20 -1.73 -0.67 4.57 -0.94 0.14 114.58 116.15 1q82 h GLU 152 Ca 0.00 -0.08 -0.15 0.00 -1.18 0.00 0.00 59.36 57.95 1q82 h GLU 152 Cb 0.66 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.18 1q82 h GLU 152 CO 0.00 0.53 0.19 1.04 -1.18 0.00 0.00 179.01 179.59 1q82 n GLN 153 N -4.09 1.37 0.00 1.92 6.02 -1.18 -4.79 117.38 116.63 1q82 n GLN 153 Ca -0.01 -0.73 0.00 0.00 -0.01 0.00 0.00 57.00 56.24 1q82 n GLN 153 Cb 0.42 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.39 1q82 n GLN 153 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1q82 n LEU 154 N 0.91 0.00 0.00 1.08 7.94 0.47 -4.81 117.00 122.59 1q82 n LEU 154 Ca 0.14 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 1q82 n LEU 154 Cb 0.55 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.50 1q82 n LEU 154 CO 0.18 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.67 1q82 n GLU 155 N 0.00 0.00 -3.65 1.96 2.13 -1.26 -4.89 120.64 114.93 1q82 n GLU 155 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 1q82 n GLU 155 Cb 0.00 -0.15 -0.07 0.00 0.27 0.00 0.00 31.44 31.49 1q82 n GLU 155 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1q82 s GLU 156 N -0.30 0.63 -0.12 5.31 2.02 -1.26 -5.14 118.70 119.84 1q82 s GLU 156 Ca 0.00 1.25 -0.39 0.00 0.02 0.00 0.00 54.97 55.85 1q82 s GLU 156 Cb 0.00 0.35 -0.17 0.00 0.10 0.00 0.00 34.13 34.41 1q82 s GLU 156 CO 0.00 -0.17 1.48 -2.30 0.02 0.00 0.00 175.26 174.29 1q82 n PRO 157 N 4.70 0.87 0.25 0.39 -0.02 -1.26 -4.85 135.00 135.08 1q82 n PRO 157 Ca -0.17 0.32 0.10 0.00 -2.02 0.00 0.00 63.50 61.72 1q82 n PRO 157 Cb 0.55 -1.94 0.66 0.00 -0.02 0.00 0.00 33.50 32.75 1q82 n PRO 157 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1q82 h LEU 158 N 5.34 0.00 -8.65 2.45 5.85 -1.91 -3.40 115.31 114.99 1q82 h LEU 158 Ca -0.47 0.00 -0.65 0.00 0.84 0.00 0.00 57.88 57.60 1q82 h LEU 158 Cb 1.35 0.00 -0.22 0.00 0.37 0.00 0.00 40.66 42.15 1q82 h LEU 158 CO 0.85 0.13 -0.62 -0.31 -0.34 0.00 0.00 178.44 178.16 1q82 s TYR 159 N -4.42 3.10 -0.77 1.25 1.51 -1.26 -5.04 117.35 111.71 1q82 s TYR 159 Ca -0.03 -0.40 -0.25 0.00 -1.01 0.00 0.00 57.07 55.37 1q82 s TYR 159 Cb 0.14 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.71 1q82 s TYR 159 CO 0.63 -0.35 1.86 0.45 -1.11 0.00 0.00 175.55 177.02 1q82 s SER 160 N 1.62 5.31 0.00 2.29 0.15 -1.26 -4.39 113.70 117.42 1q82 s SER 160 Ca 0.06 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1q82 s SER 160 Cb -0.15 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1q82 s SER 160 CO 0.04 -2.49 0.00 0.61 1.20 0.00 0.00 173.24 172.60 1q82 n GLY 161 N 6.28 1.91 2.17 9.45 0.00 -1.26 -4.91 105.19 118.84 1q82 n GLY 161 Ca 0.30 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1q82 n GLY 161 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q82 n ASP 162 N 3.96 0.00 -4.44 1.61 9.92 -1.26 -4.54 116.55 121.80 1q82 n ASP 162 Ca 0.00 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 53.99 1q82 n ASP 162 Cb 0.00 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.37 1q82 n ASP 162 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1q82 s PHE 163 N 0.00 2.35 0.20 1.24 -0.00 -1.26 -5.07 117.98 115.44 1q82 s PHE 163 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 56.93 56.59 1q82 s PHE 163 Cb 0.00 -1.17 0.00 0.00 -0.00 0.00 0.00 43.02 41.85 1q82 s PHE 163 CO 0.00 0.49 0.00 -0.40 -0.00 0.00 0.00 175.22 175.31 1q82 n ASP 164 N 0.27 -3.33 -0.03 1.98 5.68 -1.26 -4.74 116.55 115.11 1q82 n ASP 164 Ca -0.13 0.43 -0.05 0.00 -0.50 0.00 0.00 54.79 54.55 1q82 n ASP 164 Cb 0.56 -2.77 -0.03 0.00 -1.14 0.00 0.00 41.12 37.73 1q82 n ASP 164 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1q82 n ALA 165 N -2.68 1.85 -0.18 2.12 0.00 -1.26 -4.60 120.51 115.75 1q82 n ALA 165 Ca -0.02 -0.31 0.10 0.00 0.00 0.00 0.00 53.44 53.21 1q82 n ALA 165 Cb 0.52 0.31 0.30 0.00 0.00 0.00 0.00 19.45 20.59 1q82 n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q82 n ALA 166 N -2.66 2.63 -1.15 0.00 0.00 -1.26 -4.44 120.51 113.63 1q82 n ALA 166 Ca -0.12 -1.24 0.13 0.00 0.00 0.00 0.00 53.44 52.20 1q82 n ALA 166 Cb 0.64 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 1q82 n ALA 166 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1q82 n ASP 167 N 1.27 -5.82 -3.54 0.00 8.00 -1.26 -4.76 116.55 110.44 1q82 n ASP 167 Ca 0.22 0.75 -0.27 0.00 0.71 0.00 0.00 54.79 56.20 1q82 n ASP 167 Cb 0.64 -3.72 -0.15 0.00 -0.02 0.00 0.00 41.12 37.88 1q82 n ASP 167 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1q82 s LEU 168 N -5.96 0.44 0.00 0.64 1.43 -1.26 -4.91 118.68 109.05 1q82 s LEU 168 Ca 0.00 -1.15 0.21 0.00 -1.03 0.00 0.00 54.13 52.16 1q82 s LEU 168 Cb 0.00 -0.25 0.97 0.00 0.03 0.00 0.00 46.19 46.93 1q82 s LEU 168 CO 0.00 -0.42 1.68 -2.65 0.23 0.00 0.00 176.35 175.19 1q82 n PRO 169 N 5.26 0.11 0.11 1.29 -0.02 -1.26 -1.83 135.00 138.66 1q82 n PRO 169 Ca -0.06 0.12 -0.23 0.00 -2.02 0.00 0.00 63.50 61.31 1q82 n PRO 169 Cb 0.43 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.27 1q82 n PRO 169 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1q82 h GLU 170 N 0.00 0.57 -0.47 -0.52 3.07 -1.91 -2.94 114.58 112.37 1q82 h GLU 170 Ca 0.00 -0.85 0.13 0.00 -0.50 0.00 0.00 59.36 58.15 1q82 h GLU 170 Cb 0.30 0.30 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 1q82 h GLU 170 CO 0.00 1.39 0.34 1.25 -1.40 0.00 0.00 179.01 180.59 1q82 h HIS 171 N 0.16 0.01 0.00 4.33 2.76 -1.75 0.12 115.15 120.78 1q82 h HIS 171 Ca -0.21 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.96 1q82 h HIS 171 Cb 1.99 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.95 1q82 h HIS 171 CO 0.13 0.01 -0.00 0.35 -1.30 0.00 0.00 177.93 177.11 1q82 h PHE 172 N 0.01 -0.00 -0.21 5.26 3.57 -1.52 -2.18 116.94 121.86 1q82 h PHE 172 Ca 0.22 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.73 1q82 h PHE 172 Cb 0.88 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1q82 h PHE 172 CO -0.00 0.16 0.13 -0.44 -2.23 0.00 0.00 178.31 175.92 1q82 h ASP 173 N -0.16 0.21 -0.70 0.41 3.32 -0.74 -0.43 116.42 118.34 1q82 h ASP 173 Ca -0.00 -0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.16 1q82 h ASP 173 Cb 0.16 -0.05 -0.08 0.00 0.22 0.00 0.00 39.33 39.58 1q82 h ASP 173 CO 0.00 0.16 0.29 -0.33 -1.72 0.00 0.00 179.24 177.63 1q82 h GLU 174 N 0.26 0.45 0.18 3.56 5.08 -1.15 0.26 114.58 123.22 1q82 h GLU 174 Ca 0.08 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1q82 h GLU 174 Cb -0.02 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1q82 h GLU 174 CO -0.03 0.30 -0.08 1.25 -1.00 0.00 0.00 179.01 179.45 1q82 h LEU 175 N 0.47 -0.20 -0.70 1.33 5.85 -0.93 -1.66 115.31 119.47 1q82 h LEU 175 Ca 0.36 -0.31 0.12 0.00 0.84 0.00 0.00 57.88 58.89 1q82 h LEU 175 Cb 0.49 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.48 1q82 h LEU 175 CO -0.34 0.26 0.27 -0.09 -0.34 0.00 0.00 178.44 178.20 1q82 h ARG 176 N -0.71 0.42 -0.52 1.25 2.43 -0.76 0.11 114.38 116.60 1q82 h ARG 176 Ca -0.02 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.21 1q82 h ARG 176 Cb 0.50 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.88 1q82 h ARG 176 CO 0.04 0.28 0.10 1.49 -1.51 0.00 0.00 179.97 180.37 1q82 h GLU 177 N 0.44 0.23 0.41 0.20 4.57 -0.47 -2.67 114.58 117.28 1q82 h GLU 177 Ca 0.37 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.53 1q82 h GLU 177 Cb 0.52 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1q82 h GLU 177 CO -0.36 0.15 -0.30 1.15 -1.18 0.00 0.00 179.01 178.47 1q82 h THR 178 N 0.23 0.38 -0.04 0.32 2.02 0.15 -2.82 112.91 113.16 1q82 h THR 178 Ca 0.26 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.45 1q82 h THR 178 Cb 0.36 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1q82 h THR 178 CO -0.34 0.00 0.19 -0.07 0.37 0.00 0.00 175.52 175.67 1q82 h LEU 179 N -0.70 0.00 -3.08 2.58 3.38 -0.94 -3.07 115.31 113.48 1q82 h LEU 179 Ca -0.04 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.72 1q82 h LEU 179 Cb 0.60 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.24 1q82 h LEU 179 CO 0.01 0.00 0.28 0.18 0.09 0.00 0.00 178.44 178.99 1q82 n LEU 180 N -3.12 5.41 0.00 1.67 4.77 -1.03 -4.81 117.00 119.88 1q82 n LEU 180 Ca -0.02 -2.73 0.00 0.00 -0.03 0.00 0.00 56.01 53.24 1q82 n LEU 180 Cb 0.26 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 1q82 n LEU 180 CO 0.18 0.97 0.00 -0.90 -1.33 0.00 0.00 177.39 176.32 1q82 n ASP 181 N 0.34 0.00 0.00 -1.43 5.75 -1.16 -5.08 116.55 114.97 1q82 n ASP 181 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.00 1q82 n ASP 181 Cb 0.71 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.80 1q82 n ASP 181 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q82 n GLY 182 N 0.00 3.77 0.87 6.12 0.00 -1.26 -4.99 105.19 109.69 1q82 n GLY 182 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1q82 n GLY 182 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1q82 n ASP 183 N 8.04 0.00 -4.76 1.61 5.75 -1.26 -4.70 116.55 121.23 1q82 n ASP 183 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.45 1q82 n ASP 183 Cb 0.00 -1.43 0.07 0.00 -1.03 0.00 0.00 41.12 38.73 1q82 n ASP 183 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1q82 s ILE 184 N -4.00 3.07 -1.65 2.12 -1.09 -1.26 -3.88 121.20 114.52 1q82 s ILE 184 Ca 0.00 0.45 -0.01 0.00 -2.23 0.00 0.00 60.65 58.86 1q82 s ILE 184 Cb 0.00 -2.94 0.00 0.00 -1.58 0.00 0.00 42.46 37.94 1q82 s ILE 184 CO 0.00 -0.35 0.15 -0.62 -1.23 0.00 0.00 174.94 172.89 1q82 n GLU 185 N -2.84 -2.53 0.00 2.79 1.02 -1.26 -5.16 120.64 112.66 1q82 n GLU 185 Ca 0.10 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 58.18 1q82 n GLU 185 Cb 0.52 -5.64 0.00 0.00 -0.02 0.00 0.00 31.44 26.30 1q82 n GLU 185 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59