#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqd s VAL 2 N 0.00 5.25 -0.14 1.69 1.01 -1.26 -4.48 120.40 122.47 1iqd s VAL 2 Ca 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 1iqd s VAL 2 Cb 0.00 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.85 1iqd s VAL 2 CO 0.00 0.12 0.38 -1.58 0.00 0.00 0.00 175.10 174.02 1iqd s GLN 3 N -2.54 0.43 -0.22 2.72 0.74 -0.71 -4.99 119.66 115.09 1iqd s GLN 3 Ca 0.34 0.55 0.00 0.00 0.05 0.00 0.00 55.36 56.30 1iqd s GLN 3 Cb -0.13 0.19 0.03 0.00 1.10 0.00 0.00 33.01 34.19 1iqd s GLN 3 CO 0.27 -0.06 -0.13 -0.51 -0.55 0.00 0.00 175.29 174.31 1iqd s LEU 4 N 0.33 2.75 -0.24 3.68 1.43 -1.26 -1.17 118.68 124.20 1iqd s LEU 4 Ca -0.01 -0.81 -0.04 0.00 -1.03 0.00 0.00 54.13 52.24 1iqd s LEU 4 Cb -0.03 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.62 1iqd s LEU 4 CO -0.01 -0.07 -0.03 -0.69 0.23 0.00 0.00 176.35 175.78 1iqd s VAL 5 N 1.29 3.28 0.41 -1.59 1.01 0.67 -3.83 120.40 121.64 1iqd s VAL 5 Ca 0.01 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1iqd s VAL 5 Cb -0.15 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 1iqd s VAL 5 CO -0.08 0.30 0.61 -1.10 0.00 0.00 0.00 175.10 174.83 1iqd s GLN 6 N 1.43 3.13 0.88 2.72 -0.21 -1.26 -0.43 119.66 125.92 1iqd s GLN 6 Ca 0.04 -0.59 -0.11 0.00 0.02 0.00 0.00 55.36 54.71 1iqd s GLN 6 Cb -0.15 -2.63 0.12 0.00 1.00 0.00 0.00 33.01 31.34 1iqd s GLN 6 CO -0.03 -0.14 1.09 -1.54 -2.12 0.00 0.00 175.29 172.55 1iqd s SER 7 N -4.18 3.63 1.04 5.90 1.04 -0.93 -4.97 113.70 115.23 1iqd s SER 7 Ca 0.46 1.49 -0.12 0.00 0.48 0.00 0.00 55.95 58.26 1iqd s SER 7 Cb -0.10 -2.18 0.21 0.00 0.10 0.00 0.00 66.02 64.06 1iqd s SER 7 CO 0.36 -2.54 1.07 -0.83 0.98 0.00 0.00 173.24 172.29 1iqd s GLY 8 N -3.46 1.57 0.58 7.32 0.00 -1.26 -4.67 107.32 107.39 1iqd s GLY 8 Ca 0.63 -0.25 -0.19 0.00 0.00 0.00 0.00 44.72 44.91 1iqd s GLY 8 CO 0.57 0.38 0.97 0.00 0.00 0.00 0.00 173.10 175.02 1iqd n ALA 9 N -4.39 0.20 -2.49 3.20 0.00 -1.26 -4.77 120.51 111.01 1iqd n ALA 9 Ca 0.05 0.04 -0.25 0.00 0.00 0.00 0.00 53.44 53.27 1iqd n ALA 9 Cb 0.56 -2.11 -0.14 0.00 0.00 0.00 0.00 19.45 17.76 1iqd n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1iqd s GLU 10 N -2.65 1.37 -0.11 0.00 0.41 0.67 -4.98 118.70 113.40 1iqd s GLU 10 Ca 0.74 -0.97 0.02 0.00 -0.41 0.00 0.00 54.97 54.35 1iqd s GLU 10 Cb -0.43 -1.50 0.01 0.00 -1.78 0.00 0.00 34.13 30.43 1iqd s GLU 10 CO 0.49 0.38 -0.16 0.08 -0.49 0.00 0.00 175.26 175.56 1iqd s VAL 11 N -0.84 1.56 0.04 2.63 1.01 -1.26 -1.14 120.40 122.40 1iqd s VAL 11 Ca 0.07 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1iqd s VAL 11 Cb -0.09 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1iqd s VAL 11 CO 0.02 0.45 -0.03 -0.54 0.00 0.00 0.00 175.10 175.00 1iqd s LYS 12 N 1.01 0.51 0.20 2.72 -0.14 0.47 -4.97 119.74 119.53 1iqd s LYS 12 Ca -0.06 -1.01 0.04 0.00 -1.36 0.00 0.00 55.97 53.58 1iqd s LYS 12 Cb -0.15 0.17 -0.03 0.00 -1.68 0.00 0.00 37.83 36.14 1iqd s LYS 12 CO -0.02 -0.09 0.30 0.15 -0.76 0.00 0.00 175.35 174.93 1iqd s LYS 13 N -3.07 3.36 0.28 1.68 1.02 -1.26 -1.07 119.74 120.69 1iqd s LYS 13 Ca -0.01 -0.73 -0.29 0.00 0.02 0.00 0.00 55.97 54.96 1iqd s LYS 13 Cb 0.02 -2.88 -0.13 0.00 -0.52 0.00 0.00 37.83 34.32 1iqd s LYS 13 CO -0.07 0.47 1.20 -2.30 -0.92 0.00 0.00 175.35 173.73 1iqd n PRO 14 N -0.98 1.73 0.00 -1.68 -0.02 -1.26 -1.62 135.00 131.17 1iqd n PRO 14 Ca -0.08 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1iqd n PRO 14 Cb 0.56 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1iqd n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iqd n GLY 15 N 1.36 1.77 3.91 -1.23 0.00 0.32 -4.95 105.19 106.37 1iqd n GLY 15 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1iqd n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqd s ALA 16 N -2.51 2.07 0.02 4.61 0.00 -0.64 -4.28 121.76 121.03 1iqd s ALA 16 Ca 0.00 -1.24 0.05 0.00 0.00 0.00 0.00 51.96 50.77 1iqd s ALA 16 Cb 0.00 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.34 1iqd s ALA 16 CO 0.00 -2.60 -0.14 -1.12 0.00 0.00 0.00 175.76 171.90 1iqd s SER 17 N -4.85 1.67 -0.02 0.00 0.01 -1.26 -1.87 113.70 107.39 1iqd s SER 17 Ca 0.75 -0.36 0.04 0.00 1.31 0.00 0.00 55.95 57.68 1iqd s SER 17 Cb -0.04 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.05 1iqd s SER 17 CO 0.54 0.10 -0.14 0.54 0.41 0.00 0.00 173.24 174.68 1iqd s VAL 18 N -0.61 1.17 -0.32 3.43 0.11 -0.22 -4.99 120.40 118.97 1iqd s VAL 18 Ca 0.04 -0.60 0.01 0.00 -2.93 0.00 0.00 61.98 58.49 1iqd s VAL 18 Cb -0.07 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.86 1iqd s VAL 18 CO 0.00 0.34 0.02 -0.75 -3.33 0.00 0.00 175.10 171.39 1iqd s LYS 19 N -0.11 2.04 0.05 1.54 2.20 -1.26 -0.52 119.74 123.68 1iqd s LYS 19 Ca 0.01 -1.56 -0.20 0.00 -0.36 0.00 0.00 55.97 53.86 1iqd s LYS 19 Cb -0.08 -3.19 -0.06 0.00 -1.51 0.00 0.00 37.83 32.99 1iqd s LYS 19 CO 0.01 -0.78 0.58 0.08 -0.36 0.00 0.00 175.35 174.88 1iqd s VAL 20 N 1.09 4.79 0.22 4.02 1.01 0.25 -4.89 120.40 126.89 1iqd s VAL 20 Ca 0.01 1.23 0.08 0.00 0.00 0.00 0.00 61.98 63.30 1iqd s VAL 20 Cb -0.20 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1iqd s VAL 20 CO -0.05 0.51 0.01 -0.94 0.00 0.00 0.00 175.10 174.64 1iqd s SER 21 N -0.81 4.73 -0.30 3.32 1.04 -1.26 -0.48 113.70 119.94 1iqd s SER 21 Ca 0.30 -0.49 -0.01 0.00 0.48 0.00 0.00 55.95 56.22 1iqd s SER 21 Cb -0.19 -0.97 0.13 0.00 0.10 0.00 0.00 66.02 65.08 1iqd s SER 21 CO 0.18 0.04 0.25 0.00 0.98 0.00 0.00 173.24 174.70 1iqd s LYS 23 N 2.20 4.30 0.01 0.00 1.02 0.43 -0.93 119.74 126.77 1iqd s LYS 23 Ca 0.10 0.51 -0.00 0.00 0.02 0.00 0.00 55.97 56.60 1iqd s LYS 23 Cb -0.15 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.63 1iqd s LYS 23 CO -0.31 0.01 0.10 0.14 -0.92 0.00 0.00 175.35 174.37 1iqd s VAL 24 N 1.08 4.82 -0.02 3.17 -7.23 -0.84 -0.24 120.40 121.15 1iqd s VAL 24 Ca 0.27 -0.43 0.01 0.00 -1.81 0.00 0.00 61.98 60.02 1iqd s VAL 24 Cb -0.16 -3.24 0.01 0.00 0.56 0.00 0.00 36.38 33.55 1iqd s VAL 24 CO 0.11 0.30 -0.04 -0.44 -0.31 0.00 0.00 175.10 174.72 1iqd s SER 25 N -1.91 0.65 0.00 4.85 0.01 -0.32 -4.81 113.70 112.17 1iqd s SER 25 Ca 0.25 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.42 1iqd s SER 25 Cb -0.12 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.94 1iqd s SER 25 CO 0.17 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.45 1iqd n GLY 26 N 3.32 0.69 3.63 3.44 0.00 -1.26 -1.73 105.19 113.28 1iqd n GLY 26 Ca -0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 1iqd n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1iqd s TYR 27 N -2.00 -0.11 -0.18 1.61 -0.85 -1.26 -4.89 117.35 109.67 1iqd s TYR 27 Ca 0.00 -0.03 -0.22 0.00 -0.52 0.00 0.00 57.07 56.30 1iqd s TYR 27 Cb 0.00 0.56 -0.02 0.00 0.38 0.00 0.00 41.96 42.88 1iqd s TYR 27 CO 0.00 -0.40 0.69 0.99 -1.52 0.00 0.00 175.55 175.31 1iqd s THR 28 N -2.67 4.99 0.28 -3.49 2.01 -1.26 -4.95 115.64 110.54 1iqd s THR 28 Ca 0.12 1.32 0.00 0.00 0.31 0.00 0.00 61.69 63.45 1iqd s THR 28 Cb 0.02 -4.00 0.31 0.00 0.01 0.00 0.00 72.50 68.84 1iqd s THR 28 CO -0.03 0.10 1.64 0.25 -0.69 0.00 0.00 174.62 175.89 1iqd h LEU 29 N 8.11 -0.10 -2.13 4.42 6.46 -1.88 0.06 115.31 130.25 1iqd h LEU 29 Ca -0.32 0.20 0.08 0.00 -0.12 0.00 0.00 57.88 57.72 1iqd h LEU 29 Cb 1.14 0.30 -0.01 0.00 -0.73 0.00 0.00 40.66 41.36 1iqd h LEU 29 CO 0.79 -0.17 0.29 0.74 -0.62 0.00 0.00 178.44 179.47 1iqd h THR 30 N 0.17 0.42 0.00 1.05 2.02 -1.90 -2.18 112.91 112.50 1iqd h THR 30 Ca 0.53 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.69 1iqd h THR 30 Cb 1.05 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1iqd h THR 30 CO -0.67 0.00 -0.07 -0.33 0.37 0.00 0.00 175.52 174.82 1iqd h GLU 31 N 0.00 0.00 -4.03 6.66 5.08 -1.38 -3.37 114.58 117.54 1iqd h GLU 31 Ca 0.12 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 1iqd h GLU 31 Cb 0.71 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.82 1iqd h GLU 31 CO -0.00 0.07 -0.53 -0.51 -1.00 0.00 0.00 179.01 177.04 1iqd s LEU 32 N -7.11 1.96 0.82 1.33 1.43 -0.82 -5.10 118.68 111.20 1iqd s LEU 32 Ca -0.03 -0.84 -0.12 0.00 -1.03 0.00 0.00 54.13 52.11 1iqd s LEU 32 Cb 0.13 0.61 0.09 0.00 0.03 0.00 0.00 46.19 47.05 1iqd s LEU 32 CO 0.55 -0.67 1.12 -2.16 0.23 0.00 0.00 176.35 175.42 1iqd s PRO 33 N -3.89 1.86 -0.12 1.29 0.04 -1.26 -4.44 135.00 128.47 1iqd s PRO 33 Ca 0.06 0.47 0.01 0.00 0.04 0.00 0.00 61.00 61.59 1iqd s PRO 33 Cb 0.06 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.71 1iqd s PRO 33 CO -0.10 -1.74 -0.15 0.08 0.04 0.00 0.00 177.00 175.13 1iqd s VAL 34 N -3.25 1.54 -0.05 -0.36 1.01 0.31 -4.52 120.40 115.09 1iqd s VAL 34 Ca 0.62 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 1iqd s VAL 34 Cb -0.14 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1iqd s VAL 34 CO 0.53 0.45 0.15 -1.00 0.00 0.00 0.00 175.10 175.23 1iqd s HIS 35 N 1.14 3.51 -0.06 5.22 3.76 0.26 -0.77 115.29 128.35 1iqd s HIS 35 Ca -0.03 0.39 0.05 0.00 -0.15 0.00 0.00 55.06 55.31 1iqd s HIS 35 Cb -0.14 -1.85 -0.00 0.00 1.11 0.00 0.00 32.58 31.69 1iqd s HIS 35 CO -0.04 0.66 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.71 1iqd s TRP 36 N -1.19 2.13 0.04 1.40 0.52 0.59 -1.17 118.94 121.26 1iqd s TRP 36 Ca 0.22 -0.70 -0.04 0.00 0.02 0.00 0.00 56.10 55.60 1iqd s TRP 36 Cb -0.12 -1.42 -0.02 0.00 -1.15 0.00 0.00 33.47 30.76 1iqd s TRP 36 CO 0.12 -0.25 0.05 0.14 0.02 0.00 0.00 176.95 177.03 1iqd s VAL 37 N 0.09 0.14 0.18 4.03 -7.23 -0.40 -0.26 120.40 116.95 1iqd s VAL 37 Ca -0.08 -1.17 0.02 0.00 -1.81 0.00 0.00 61.98 58.94 1iqd s VAL 37 Cb -0.14 -0.85 -0.05 0.00 0.56 0.00 0.00 36.38 35.90 1iqd s VAL 37 CO 0.04 -0.64 0.01 0.00 -0.31 0.00 0.00 175.10 174.20 1iqd s ARG 38 N -2.56 1.13 -0.17 4.82 1.70 -0.23 0.60 118.95 124.25 1iqd s ARG 38 Ca -0.05 -1.55 -0.04 0.00 -0.47 0.00 0.00 55.73 53.61 1iqd s ARG 38 Cb -0.02 -0.26 0.08 0.00 -0.57 0.00 0.00 34.95 34.18 1iqd s ARG 38 CO -0.05 -0.15 0.23 -1.14 -1.08 0.00 0.00 175.30 173.12 1iqd s GLN 39 N -3.93 0.16 0.49 3.89 0.74 0.07 -1.70 119.66 119.39 1iqd s GLN 39 Ca 0.25 0.40 -0.21 0.00 0.05 0.00 0.00 55.36 55.85 1iqd s GLN 39 Cb 0.06 -0.77 -0.07 0.00 1.10 0.00 0.00 33.01 33.33 1iqd s GLN 39 CO 0.05 -0.52 1.09 0.00 -0.55 0.00 0.00 175.29 175.36 1iqd s ALA 40 N 2.35 2.84 0.00 1.58 0.00 -1.26 -1.51 121.76 125.76 1iqd s ALA 40 Ca 0.05 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1iqd s ALA 40 Cb -0.14 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1iqd s ALA 40 CO -0.10 -0.52 0.00 -2.30 0.00 0.00 0.00 175.76 172.84 1iqd n PRO 41 N -0.92 0.00 -1.33 0.00 -0.02 -1.26 -0.68 135.00 130.79 1iqd n PRO 41 Ca 0.09 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.51 1iqd n PRO 41 Cb 0.51 0.00 0.12 0.00 -0.02 0.00 0.00 33.50 34.11 1iqd n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iqd n GLY 42 N -0.90 5.22 2.17 -1.23 0.00 -1.26 -5.05 105.19 104.14 1iqd n GLY 42 Ca 0.00 -1.80 -0.19 0.00 0.00 0.00 0.00 46.02 44.03 1iqd n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iqd n LYS 43 N -0.83 1.22 -0.25 1.61 5.02 0.14 -5.16 118.16 119.91 1iqd n LYS 43 Ca 0.27 -2.16 0.00 0.00 -2.02 0.00 0.00 58.31 54.40 1iqd n LYS 43 Cb 0.83 0.51 0.00 0.00 -0.02 0.00 0.00 35.03 36.35 1iqd n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iqd n GLY 44 N 1.34 0.21 3.81 0.72 0.00 -1.26 -4.61 105.19 105.40 1iqd n GLY 44 Ca -0.10 -1.84 -0.36 0.00 0.00 0.00 0.00 46.02 43.72 1iqd n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iqd s LEU 45 N 0.00 4.29 -0.05 0.99 1.43 -1.26 -4.25 118.68 119.82 1iqd s LEU 45 Ca 0.00 1.50 -0.02 0.00 -1.03 0.00 0.00 54.13 54.58 1iqd s LEU 45 Cb 0.00 -3.78 0.04 0.00 0.03 0.00 0.00 46.19 42.48 1iqd s LEU 45 CO 0.00 -0.03 0.10 -1.61 0.23 0.00 0.00 176.35 175.03 1iqd s GLU 46 N -2.17 -0.02 0.23 1.70 2.02 -0.69 -5.00 118.70 114.77 1iqd s GLU 46 Ca 0.47 0.40 -0.30 0.00 0.02 0.00 0.00 54.97 55.56 1iqd s GLU 46 Cb -0.16 -0.35 -0.09 0.00 0.10 0.00 0.00 34.13 33.63 1iqd s GLU 46 CO 0.21 -0.28 1.26 -0.46 0.02 0.00 0.00 175.26 176.01 1iqd s TRP 47 N 1.91 3.30 -0.21 1.61 -0.00 -1.26 -1.06 118.94 123.22 1iqd s TRP 47 Ca 0.00 1.35 -0.04 0.00 -0.00 0.00 0.00 56.10 57.42 1iqd s TRP 47 Cb -0.12 -3.54 -0.12 0.00 -0.00 0.00 0.00 33.47 29.69 1iqd s TRP 47 CO -0.04 -1.57 -0.22 0.28 -0.00 0.00 0.00 176.95 175.40 1iqd n VAL 48 N 2.14 1.17 0.00 5.86 0.31 0.65 -4.74 118.33 123.72 1iqd n VAL 48 Ca 0.04 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1iqd n VAL 48 Cb 0.43 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 1iqd n VAL 48 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1iqd n GLY 49 N 2.17 1.14 3.16 2.92 0.00 -1.14 -2.34 105.19 111.10 1iqd n GLY 49 Ca -0.39 -0.85 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 1iqd n GLY 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iqd s SER 50 N 0.00 1.50 0.02 1.61 0.01 -0.55 -0.30 113.70 116.00 1iqd s SER 50 Ca 0.00 -0.69 0.01 0.00 1.31 0.00 0.00 55.95 56.58 1iqd s SER 50 Cb 0.00 -0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.20 1iqd s SER 50 CO 0.00 -0.17 -0.05 0.12 0.41 0.00 0.00 173.24 173.56 1iqd s PHE 51 N -1.79 0.40 -0.44 2.43 2.19 0.05 -1.64 117.98 119.19 1iqd s PHE 51 Ca 0.00 -0.34 -0.03 0.00 0.33 0.00 0.00 56.93 56.89 1iqd s PHE 51 Cb -0.07 -0.25 0.12 0.00 -1.31 0.00 0.00 43.02 41.50 1iqd s PHE 51 CO 0.01 -0.08 0.24 0.34 1.83 0.00 0.00 175.22 177.56 1iqd s ASP 52 N -0.98 5.28 0.19 6.13 -1.08 -0.00 -0.53 116.67 125.69 1iqd s ASP 52 Ca -0.08 -2.13 0.13 0.00 -0.52 0.00 0.00 52.55 49.95 1iqd s ASP 52 Cb -0.07 -1.84 0.68 0.00 -1.46 0.00 0.00 42.92 40.23 1iqd s ASP 52 CO -0.00 -0.53 1.37 -0.81 0.52 0.00 0.00 175.17 175.72 1iqd n PRO 53 N 4.47 0.08 0.14 4.34 -0.04 -1.26 0.79 135.00 143.52 1iqd n PRO 53 Ca -0.01 0.57 -0.25 0.00 -0.04 0.00 0.00 63.50 63.77 1iqd n PRO 53 Cb 0.41 -1.79 -0.16 0.00 -0.04 0.00 0.00 33.50 31.91 1iqd n PRO 53 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1iqd h GLU 54 N 0.00 0.54 0.00 0.54 4.22 -1.89 -3.39 114.58 114.60 1iqd h GLU 54 Ca 0.00 -0.92 0.00 0.00 0.08 0.00 0.00 59.36 58.52 1iqd h GLU 54 Cb 0.05 0.34 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1iqd h GLU 54 CO 0.00 1.44 -0.44 -1.13 -2.18 0.00 0.00 179.01 176.70 1iqd n SER 55 N -3.72 0.78 -0.08 1.04 3.41 -0.89 -4.99 113.62 109.16 1iqd n SER 55 Ca -0.17 -0.55 -0.01 0.00 -0.26 0.00 0.00 58.87 57.88 1iqd n SER 55 Cb 1.10 1.04 -0.00 0.00 -0.26 0.00 0.00 64.21 66.09 1iqd n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iqd n GLY 56 N 1.29 0.50 3.76 5.00 0.00 0.24 -5.01 105.19 110.97 1iqd n GLY 56 Ca 0.01 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 1iqd n GLY 56 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1iqd s GLU 57 N -1.06 4.74 0.09 1.61 2.12 -1.20 -4.84 118.70 120.16 1iqd s GLU 57 Ca 0.00 1.43 0.06 0.00 0.36 0.00 0.00 54.97 56.82 1iqd s GLU 57 Cb 0.00 -3.08 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 1iqd s GLU 57 CO 0.00 0.42 -0.15 -1.12 -0.54 0.00 0.00 175.26 173.86 1iqd s SER 58 N -1.35 1.90 -0.04 -1.70 0.01 -1.26 -0.82 113.70 110.44 1iqd s SER 58 Ca 0.45 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1iqd s SER 58 Cb -0.23 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 65.96 1iqd s SER 58 CO 0.29 -0.08 -0.01 0.27 0.41 0.00 0.00 173.24 174.12 1iqd s ILE 59 N -1.52 0.27 0.22 1.44 -4.36 -0.65 -5.02 121.20 111.59 1iqd s ILE 59 Ca 0.03 0.05 0.06 0.00 -0.26 0.00 0.00 60.65 60.52 1iqd s ILE 59 Cb -0.08 -0.36 -0.03 0.00 1.25 0.00 0.00 42.46 43.23 1iqd s ILE 59 CO 0.03 0.17 0.23 -0.31 0.24 0.00 0.00 174.94 175.30 1iqd s TYR 60 N 1.09 3.22 0.32 1.37 1.51 -1.26 -1.48 117.35 122.12 1iqd s TYR 60 Ca -0.09 -0.05 -0.20 0.00 -1.01 0.00 0.00 57.07 55.72 1iqd s TYR 60 Cb -0.14 -1.48 -0.09 0.00 -0.11 0.00 0.00 41.96 40.14 1iqd s TYR 60 CO -0.02 0.50 0.82 0.00 -1.11 0.00 0.00 175.55 175.75 1iqd s ALA 61 N -1.99 3.26 0.26 3.71 0.00 -0.99 -4.91 121.76 121.10 1iqd s ALA 61 Ca 0.33 0.26 -0.07 0.00 0.00 0.00 0.00 51.96 52.47 1iqd s ALA 61 Cb -0.09 -2.95 0.45 0.00 0.00 0.00 0.00 23.12 20.53 1iqd s ALA 61 CO 0.26 0.25 1.60 -0.09 0.00 0.00 0.00 175.76 177.78 1iqd h ARG 62 N 2.69 0.03 0.00 0.00 2.43 -1.92 0.09 114.38 117.70 1iqd h ARG 62 Ca -0.48 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1iqd h ARG 62 Cb 1.18 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1iqd h ARG 62 CO 0.64 0.02 0.00 0.39 -1.51 0.00 0.00 179.97 179.51 1iqd n GLU 63 N -5.49 0.10 -0.23 0.20 1.02 -1.26 -3.57 120.64 111.41 1iqd n GLU 63 Ca 0.15 0.18 0.09 0.00 -0.02 0.00 0.00 57.16 57.55 1iqd n GLU 63 Cb 0.50 -1.64 0.18 0.00 -0.02 0.00 0.00 31.44 30.45 1iqd n GLU 63 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1iqd n PHE 64 N -1.82 0.27 -0.10 -0.32 3.01 -0.02 -4.83 117.46 113.64 1iqd n PHE 64 Ca 0.05 -1.03 -0.05 0.00 1.01 0.00 0.00 57.45 57.42 1iqd n PHE 64 Cb 0.31 -0.21 0.01 0.00 -0.01 0.00 0.00 39.48 39.58 1iqd n PHE 64 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1iqd h GLN 65 N 0.55 -0.04 -0.52 -1.08 4.20 -1.51 -3.15 115.11 113.56 1iqd h GLN 65 Ca 0.01 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.47 1iqd h GLN 65 Cb 1.14 0.01 -0.15 0.00 0.30 0.00 0.00 27.48 28.78 1iqd h GLN 65 CO 0.07 -0.03 0.12 0.41 -0.67 0.00 0.00 178.83 178.74 1iqd n GLY 66 N -1.31 4.66 0.00 3.46 0.00 -1.26 -4.48 105.19 106.26 1iqd n GLY 66 Ca 0.02 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1iqd n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iqd n SER 67 N -1.02 0.30 -4.20 1.61 3.41 -1.19 -5.01 113.62 107.52 1iqd n SER 67 Ca 0.39 -0.73 -0.26 0.00 -0.26 0.00 0.00 58.87 58.01 1iqd n SER 67 Cb 1.20 0.16 -0.15 0.00 -0.26 0.00 0.00 64.21 65.16 1iqd n SER 67 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1iqd s VAL 68 N -0.16 1.53 -0.10 -3.33 0.11 -1.23 -4.22 120.40 113.01 1iqd s VAL 68 Ca 0.00 -0.85 -0.01 0.00 -2.93 0.00 0.00 61.98 58.20 1iqd s VAL 68 Cb 0.00 -1.28 0.03 0.00 -1.53 0.00 0.00 36.38 33.60 1iqd s VAL 68 CO 0.00 0.42 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.25 1iqd s THR 69 N -0.48 0.79 -0.12 5.04 2.01 0.08 -4.99 115.64 117.98 1iqd s THR 69 Ca 0.07 -0.15 -0.02 0.00 0.31 0.00 0.00 61.69 61.91 1iqd s THR 69 Cb -0.08 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 1iqd s THR 69 CO -0.01 0.33 -0.04 -0.04 -0.69 0.00 0.00 174.62 174.17 1iqd s MET 70 N 1.75 3.27 0.33 4.92 -1.94 -1.26 -0.57 119.30 125.81 1iqd s MET 70 Ca 0.04 -0.51 0.04 0.00 -1.71 0.00 0.00 55.69 53.55 1iqd s MET 70 Cb -0.13 -2.79 -0.02 0.00 2.01 0.00 0.00 34.83 33.91 1iqd s MET 70 CO -0.07 0.45 0.35 0.95 -0.01 0.00 0.00 175.02 176.69 1iqd s THR 71 N -0.21 0.00 -0.27 2.05 -4.23 -1.02 -5.00 115.64 106.97 1iqd s THR 71 Ca 0.04 -1.85 -0.25 0.00 -1.18 0.00 0.00 61.69 58.45 1iqd s THR 71 Cb -0.13 -2.56 0.07 0.00 1.34 0.00 0.00 72.50 71.23 1iqd s THR 71 CO 0.02 0.00 0.75 0.00 -0.54 0.00 0.00 174.62 174.85 1iqd s ALA 72 N -3.30 -1.80 -0.73 3.99 0.00 -1.26 -0.19 121.76 118.47 1iqd s ALA 72 Ca 0.37 2.02 -0.15 0.00 0.00 0.00 0.00 51.96 54.19 1iqd s ALA 72 Cb 0.01 -1.20 0.18 0.00 0.00 0.00 0.00 23.12 22.11 1iqd s ALA 72 CO 0.25 -0.33 0.72 0.34 0.00 0.00 0.00 175.76 176.73 1iqd s ASP 73 N 0.37 6.54 0.35 0.00 3.68 0.59 -4.92 116.67 123.28 1iqd s ASP 73 Ca 0.00 -2.28 0.10 0.00 2.13 0.00 0.00 52.55 52.51 1iqd s ASP 73 Cb -0.05 -2.23 0.87 0.00 -1.45 0.00 0.00 42.92 40.06 1iqd s ASP 73 CO 0.00 -0.74 1.81 0.74 0.13 0.00 0.00 175.17 177.11 1iqd h THR 74 N 5.27 0.70 -0.29 1.71 2.02 -1.92 0.28 112.91 120.68 1iqd h THR 74 Ca -0.04 -0.22 -0.10 0.00 0.77 0.00 0.00 66.41 66.82 1iqd h THR 74 Cb 1.06 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1iqd h THR 74 CO 0.89 0.12 -0.22 0.77 0.37 0.00 0.00 175.52 177.44 1iqd h SER 75 N 0.64 0.69 0.02 4.18 4.64 -1.97 -3.20 113.55 118.56 1iqd h SER 75 Ca 0.54 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1iqd h SER 75 Cb 1.01 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1iqd h SER 75 CO -0.30 1.00 -0.05 0.35 -0.87 0.00 0.00 176.83 176.96 1iqd n THR 76 N -4.33 0.00 -3.58 2.95 -2.24 -0.92 -4.96 114.28 101.20 1iqd n THR 76 Ca -0.04 -0.25 -0.21 0.00 -2.27 0.00 0.00 64.05 61.28 1iqd n THR 76 Cb 0.43 0.59 0.07 0.00 -2.10 0.00 0.00 70.33 69.31 1iqd n THR 76 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1iqd n ASN 77 N 0.16 -2.65 -4.02 3.42 3.02 0.04 -4.84 115.26 110.39 1iqd n ASN 77 Ca 0.17 -0.68 -0.29 0.00 -0.03 0.00 0.00 54.58 53.75 1iqd n ASN 77 Cb 0.38 -4.68 -0.17 0.00 -0.61 0.00 0.00 39.78 34.71 1iqd n ASN 77 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1iqd s ILE 78 N -3.45 1.44 0.02 2.41 1.01 -1.06 -1.99 121.20 119.59 1iqd s ILE 78 Ca 0.15 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 60.11 1iqd s ILE 78 Cb -0.07 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 1iqd s ILE 78 CO 0.76 0.43 0.35 0.00 0.00 0.00 0.00 174.94 176.49 1iqd s ALA 79 N 1.27 3.76 0.17 9.38 0.00 -0.10 -0.30 121.76 135.94 1iqd s ALA 79 Ca -0.01 -0.40 0.11 0.00 0.00 0.00 0.00 51.96 51.67 1iqd s ALA 79 Cb -0.14 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 1iqd s ALA 79 CO -0.06 0.56 -0.24 0.71 0.00 0.00 0.00 175.76 176.73 1iqd s TYR 80 N -1.25 2.23 -0.23 0.00 2.02 0.73 -0.42 117.35 120.45 1iqd s TYR 80 Ca 0.27 -0.38 -0.04 0.00 -0.37 0.00 0.00 57.07 56.56 1iqd s TYR 80 Cb -0.14 -1.15 0.09 0.00 -0.40 0.00 0.00 41.96 40.36 1iqd s TYR 80 CO 0.15 0.42 0.15 1.41 -1.57 0.00 0.00 175.55 176.11 1iqd s MET 81 N -2.45 0.15 -0.29 -0.62 1.75 0.36 -2.44 119.30 115.77 1iqd s MET 81 Ca 0.17 -0.17 -0.10 0.00 -1.25 0.00 0.00 55.69 54.35 1iqd s MET 81 Cb -0.08 -1.39 -0.03 0.00 2.84 0.00 0.00 34.83 36.17 1iqd s MET 81 CO 0.08 -0.81 0.15 -2.00 -0.65 0.00 0.00 175.02 171.79 1iqd s GLU 82 N 2.19 3.62 0.19 4.11 2.12 0.26 -0.58 118.70 130.61 1iqd s GLU 82 Ca 0.06 -0.53 0.06 0.00 0.36 0.00 0.00 54.97 54.92 1iqd s GLU 82 Cb -0.16 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 1iqd s GLU 82 CO -0.21 -0.29 0.08 -1.17 -0.54 0.00 0.00 175.26 173.14 1iqd s LEU 83 N 1.67 3.58 -0.35 2.70 0.20 0.32 -0.74 118.68 126.06 1iqd s LEU 83 Ca 0.06 -0.28 -0.04 0.00 0.69 0.00 0.00 54.13 54.55 1iqd s LEU 83 Cb -0.16 -2.19 0.04 0.00 -0.43 0.00 0.00 46.19 43.45 1iqd s LEU 83 CO 0.07 0.06 0.11 -1.54 -0.29 0.00 0.00 176.35 174.76 1iqd n SER 83 N -0.42 -0.50 -4.57 3.68 3.41 -1.12 -1.06 113.62 113.04 1iqd n SER 83 Ca -0.09 -0.15 -0.45 0.00 -0.26 0.00 0.00 58.87 57.92 1iqd n SER 83 Cb 0.56 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 1iqd n SER 83 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1iqd n LEU 83 N -1.33 1.50 -4.38 1.04 4.77 -0.78 -4.54 117.00 113.28 1iqd n LEU 83 Ca 0.02 1.17 -0.20 0.00 -0.03 0.00 0.00 56.01 56.98 1iqd n LEU 83 Cb 0.16 -1.25 -0.10 0.00 -2.33 0.00 0.00 43.42 39.90 1iqd n LEU 83 CO 0.18 -1.53 -0.40 -0.13 -1.33 0.00 0.00 177.39 174.17 1iqd s ARG 84 N -1.42 1.43 0.39 3.23 0.52 -1.26 -0.52 118.95 121.33 1iqd s ARG 84 Ca 0.60 -1.68 0.10 0.00 -0.52 0.00 0.00 55.73 54.23 1iqd s ARG 84 Cb -0.73 -1.11 0.89 0.00 0.52 0.00 0.00 34.95 34.51 1iqd s ARG 84 CO 0.59 0.11 1.96 0.66 0.02 0.00 0.00 175.30 178.63 1iqd h SER 85 N 2.43 0.52 0.23 0.23 4.64 -1.96 0.89 113.55 120.54 1iqd h SER 85 Ca -0.39 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1iqd h SER 85 Cb 1.23 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1iqd h SER 85 CO 0.64 0.32 0.00 -0.90 -0.87 0.00 0.00 176.83 176.02 1iqd n ASP 86 N -4.48 0.00 -0.39 4.97 5.75 -1.26 -1.66 116.55 119.48 1iqd n ASP 86 Ca 0.11 -0.19 0.13 0.00 -0.01 0.00 0.00 54.79 54.82 1iqd n ASP 86 Cb 0.32 -0.19 0.53 0.00 -1.03 0.00 0.00 41.12 40.76 1iqd n ASP 86 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1iqd n ASP 87 N -1.19 1.18 -4.66 -1.12 10.43 0.31 -4.85 116.55 116.65 1iqd n ASP 87 Ca 0.11 -1.49 -0.42 0.00 2.57 0.00 0.00 54.79 55.55 1iqd n ASP 87 Cb 0.12 -0.04 -0.03 0.00 1.84 0.00 0.00 41.12 43.02 1iqd n ASP 87 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1iqd s THR 88 N -1.93 3.68 -0.08 -3.53 2.01 -0.66 -4.84 115.64 110.29 1iqd s THR 88 Ca 0.36 0.83 -0.31 0.00 0.31 0.00 0.00 61.69 62.88 1iqd s THR 88 Cb 0.19 -3.53 0.11 0.00 0.01 0.00 0.00 72.50 69.28 1iqd s THR 88 CO 0.30 -0.07 1.38 0.00 -0.69 0.00 0.00 174.62 175.54 1iqd s ALA 89 N 3.94 -2.67 -0.19 7.40 0.00 -0.63 -4.27 121.76 125.34 1iqd s ALA 89 Ca 0.71 0.38 -0.13 0.00 0.00 0.00 0.00 51.96 52.92 1iqd s ALA 89 Cb -0.32 0.73 -0.05 0.00 0.00 0.00 0.00 23.12 23.49 1iqd s ALA 89 CO 0.27 -1.14 0.24 0.08 0.00 0.00 0.00 175.76 175.21 1iqd s VAL 90 N -2.03 5.33 -0.13 0.00 1.01 -0.57 -0.76 120.40 123.25 1iqd s VAL 90 Ca 0.27 0.42 -0.04 0.00 0.00 0.00 0.00 61.98 62.62 1iqd s VAL 90 Cb 0.02 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1iqd s VAL 90 CO -0.04 0.38 0.01 -0.31 0.00 0.00 0.00 175.10 175.14 1iqd s TYR 91 N 0.65 3.17 0.15 5.22 2.02 0.78 -0.75 117.35 128.58 1iqd s TYR 91 Ca 0.13 0.05 0.09 0.00 -0.37 0.00 0.00 57.07 56.96 1iqd s TYR 91 Cb -0.13 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.47 1iqd s TYR 91 CO 0.03 0.26 -0.19 0.71 -1.57 0.00 0.00 175.55 174.78 1iqd s TYR 92 N -0.21 1.84 0.15 2.71 2.02 0.20 -0.05 117.35 124.01 1iqd s TYR 92 Ca 0.06 -0.45 0.10 0.00 -0.37 0.00 0.00 57.07 56.41 1iqd s TYR 92 Cb -0.12 -0.95 -0.04 0.00 -0.40 0.00 0.00 41.96 40.45 1iqd s TYR 92 CO 0.02 0.30 -0.18 0.00 -1.57 0.00 0.00 175.55 174.12 1iqd s ALA 94 N -1.36 -1.48 0.17 0.00 0.00 -0.32 -1.35 121.76 117.43 1iqd s ALA 94 Ca 0.20 1.07 0.08 0.00 0.00 0.00 0.00 51.96 53.31 1iqd s ALA 94 Cb -0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1iqd s ALA 94 CO 0.11 -0.33 -0.18 0.14 0.00 0.00 0.00 175.76 175.50 1iqd s VAL 95 N -1.13 1.82 0.44 0.00 -7.23 -0.72 -0.58 120.40 113.01 1iqd s VAL 95 Ca -0.11 -1.95 -0.21 0.00 -1.81 0.00 0.00 61.98 57.89 1iqd s VAL 95 Cb -0.02 -1.87 -0.10 0.00 0.56 0.00 0.00 36.38 34.96 1iqd s VAL 95 CO 0.08 -0.35 1.00 -2.16 -0.31 0.00 0.00 175.10 173.36 1iqd s PRO 96 N -2.90 4.06 -0.47 4.82 0.04 -1.13 -2.38 135.00 137.03 1iqd s PRO 96 Ca 0.17 1.28 0.04 0.00 0.04 0.00 0.00 61.00 62.53 1iqd s PRO 96 Cb -0.05 -2.22 0.21 0.00 0.04 0.00 0.00 34.50 32.48 1iqd s PRO 96 CO 0.07 -0.20 0.86 -3.47 0.04 0.00 0.00 177.00 174.30 1iqd n ASP 97 N -0.65 -2.87 -0.11 6.66 4.64 -1.26 -4.70 116.55 118.26 1iqd n ASP 97 Ca 0.07 -2.59 0.09 0.00 -1.38 0.00 0.00 54.79 50.98 1iqd n ASP 97 Cb 0.53 1.54 -0.08 0.00 -1.04 0.00 0.00 41.12 42.06 1iqd n ASP 97 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1iqd n PRO 98 N 2.52 1.00 0.00 -0.67 -0.04 -1.26 -4.85 135.00 131.70 1iqd n PRO 98 Ca 0.14 -0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1iqd n PRO 98 Cb 0.60 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 1iqd n PRO 98 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1iqd n ASP 99 N -1.11 4.50 0.00 3.54 10.43 -1.26 -5.11 116.55 127.53 1iqd n ASP 99 Ca 0.05 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.41 1iqd n ASP 99 Cb 0.32 0.49 0.00 0.00 1.84 0.00 0.00 41.12 43.77 1iqd n ASP 99 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1iqd n ALA 100 N -1.81 0.00 -3.47 2.24 0.00 -1.26 -4.85 120.51 111.36 1iqd n ALA 100 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1iqd n ALA 100 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 1iqd n ALA 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1iqd n PHE 101 N 0.00 4.15 0.07 0.00 3.01 -1.26 -2.85 117.46 120.57 1iqd n PHE 101 Ca 0.00 -3.87 -0.22 0.00 1.01 0.00 0.00 57.45 54.37 1iqd n PHE 101 Cb 0.00 -1.23 -0.15 0.00 -0.01 0.00 0.00 39.48 38.09 1iqd n PHE 101 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1iqd h ASP 102 N 5.90 0.55 -3.32 4.37 5.19 -1.80 -3.46 116.42 123.85 1iqd h ASP 102 Ca 0.18 -0.92 -0.67 0.00 -0.62 0.00 0.00 57.03 55.00 1iqd h ASP 102 Cb 0.78 -0.18 -0.30 0.00 0.18 0.00 0.00 39.33 39.82 1iqd h ASP 102 CO 0.96 1.55 -0.81 -0.51 -3.12 0.00 0.00 179.24 177.30 1iqd s ILE 103 N -2.49 2.62 0.14 0.35 1.10 -1.07 -4.99 121.20 116.85 1iqd s ILE 103 Ca -0.14 -0.82 0.09 0.00 -0.51 0.00 0.00 60.65 59.27 1iqd s ILE 103 Cb 0.03 -2.06 -0.04 0.00 0.15 0.00 0.00 42.46 40.53 1iqd s ILE 103 CO 0.85 0.54 -0.15 0.26 -2.11 0.00 0.00 174.94 174.33 1iqd s TRP 104 N 0.38 2.58 0.95 3.50 0.52 -1.26 -1.75 118.94 123.86 1iqd s TRP 104 Ca -0.14 -0.24 -0.15 0.00 0.02 0.00 0.00 56.10 55.59 1iqd s TRP 104 Cb -0.17 -1.33 0.18 0.00 -1.15 0.00 0.00 33.47 31.00 1iqd s TRP 104 CO 0.07 0.43 1.28 0.20 0.02 0.00 0.00 176.95 178.95 1iqd s GLY 105 N -2.37 1.73 0.10 0.98 0.00 -0.46 -4.60 107.32 102.70 1iqd s GLY 105 Ca 0.21 -1.06 0.26 0.00 0.00 0.00 0.00 44.72 44.12 1iqd s GLY 105 CO 0.12 -0.34 1.80 0.61 0.00 0.00 0.00 173.10 175.29 1iqd n GLN 106 N -3.75 0.11 0.00 2.90 0.00 -1.25 -4.83 117.38 110.56 1iqd n GLN 106 Ca 0.13 0.15 0.00 0.00 0.00 0.00 0.00 57.00 57.28 1iqd n GLN 106 Cb 0.60 -1.65 0.00 0.00 0.00 0.00 0.00 30.24 29.19 1iqd n GLN 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1iqd n GLY 107 N 1.10 0.92 2.96 2.61 0.00 -1.26 -5.03 105.19 106.49 1iqd n GLY 107 Ca 0.06 -1.64 -0.28 0.00 0.00 0.00 0.00 46.02 44.16 1iqd n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iqd s THR 108 N -2.54 1.22 0.02 2.61 2.01 0.93 -4.88 115.64 115.01 1iqd s THR 108 Ca 0.00 -0.43 -0.30 0.00 0.31 0.00 0.00 61.69 61.28 1iqd s THR 108 Cb 0.00 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 1iqd s THR 108 CO 0.00 0.40 0.96 -0.32 -0.69 0.00 0.00 174.62 174.97 1iqd s MET 109 N 1.52 4.58 -0.18 4.92 0.00 -1.26 -0.16 119.30 128.72 1iqd s MET 109 Ca 0.03 1.40 -0.00 0.00 0.00 0.00 0.00 55.69 57.12 1iqd s MET 109 Cb -0.13 -3.44 0.04 0.00 0.00 0.00 0.00 34.83 31.30 1iqd s MET 109 CO -0.08 0.01 -0.06 0.08 0.00 0.00 0.00 175.02 174.97 1iqd s VAL 110 N 0.80 1.22 -0.20 10.11 1.01 0.06 -0.24 120.40 133.16 1iqd s VAL 110 Ca 0.50 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 1iqd s VAL 110 Cb -0.21 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 1iqd s VAL 110 CO 0.28 0.11 0.00 -0.89 0.00 0.00 0.00 175.10 174.60 1iqd s THR 111 N 1.58 3.98 -0.21 3.92 2.01 -0.29 -1.61 115.64 125.03 1iqd s THR 111 Ca -0.00 -0.30 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 1iqd s THR 111 Cb -0.16 -2.80 -0.01 0.00 0.01 0.00 0.00 72.50 69.55 1iqd s THR 111 CO -0.08 0.43 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.52 1iqd s VAL 112 N 0.98 3.19 0.05 3.82 1.01 -1.26 -0.40 120.40 127.79 1iqd s VAL 112 Ca 0.02 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.17 1iqd s VAL 112 Cb -0.14 -2.43 0.09 0.00 0.00 0.00 0.00 36.38 33.90 1iqd s VAL 112 CO 0.02 0.45 0.79 -0.55 0.00 0.00 0.00 175.10 175.81 1iqd s SER 113 N 1.37 -0.43 0.46 3.32 0.15 -0.23 -4.24 113.70 114.09 1iqd s SER 113 Ca 0.05 0.00 0.26 0.00 0.70 0.00 0.00 55.95 56.96 1iqd s SER 113 Cb -0.14 0.46 0.80 0.00 -1.71 0.00 0.00 66.02 65.43 1iqd s SER 113 CO -0.04 -0.73 1.77 0.28 1.20 0.00 0.00 173.24 175.72 1iqd h SER 114 N 2.01 0.00 -4.19 5.45 0.02 -1.95 -3.35 113.55 111.53 1iqd h SER 114 Ca -0.26 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.19 1iqd h SER 114 Cb 1.26 0.00 0.15 0.00 0.14 0.00 0.00 62.40 63.95 1iqd h SER 114 CO 0.33 0.12 0.27 0.00 -1.14 0.00 0.00 176.83 176.41 1iqd s ALA 115 N -3.45 1.82 0.25 3.77 0.00 -1.26 -5.03 121.76 117.86 1iqd s ALA 115 Ca 0.03 0.17 0.11 0.00 0.00 0.00 0.00 51.96 52.28 1iqd s ALA 115 Cb 0.08 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 1iqd s ALA 115 CO 0.63 -2.16 -0.19 -1.12 0.00 0.00 0.00 175.76 172.92 1iqd s SER 116 N -3.29 3.67 0.30 0.00 0.01 -1.26 -4.92 113.70 108.21 1iqd s SER 116 Ca 0.63 -0.93 -0.30 0.00 1.31 0.00 0.00 55.95 56.67 1iqd s SER 116 Cb -0.18 -0.36 -0.12 0.00 0.21 0.00 0.00 66.02 65.56 1iqd s SER 116 CO 0.57 0.06 1.45 0.41 0.41 0.00 0.00 173.24 176.14 1iqd n THR 117 N -0.37 1.39 -3.63 1.44 -1.04 -1.26 -4.74 114.28 106.07 1iqd n THR 117 Ca -0.07 -0.35 -0.12 0.00 -2.04 0.00 0.00 64.05 61.47 1iqd n THR 117 Cb 0.59 -1.72 -0.07 0.00 -1.82 0.00 0.00 70.33 67.31 1iqd n THR 117 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1iqd s LYS 118 N -1.05 0.67 0.75 -2.82 -2.85 -0.25 -4.96 119.74 109.22 1iqd s LYS 118 Ca 0.61 0.76 -0.11 0.00 -1.00 0.00 0.00 55.97 56.23 1iqd s LYS 118 Cb -0.56 0.33 0.05 0.00 -2.06 0.00 0.00 37.83 35.58 1iqd s LYS 118 CO 0.55 -0.09 1.09 0.20 0.10 0.00 0.00 175.35 177.19 1iqd s GLY 119 N 0.23 1.69 0.58 0.59 0.00 -1.26 -1.90 107.32 107.25 1iqd s GLY 119 Ca 0.01 0.24 -0.04 0.00 0.00 0.00 0.00 44.72 44.94 1iqd s GLY 119 CO -0.02 0.58 0.86 2.56 0.00 0.00 0.00 173.10 177.08 1iqd s PRO 120 N -4.90 2.74 -0.11 2.90 0.04 -1.26 -4.55 135.00 129.85 1iqd s PRO 120 Ca 0.61 -0.27 -0.03 0.00 0.04 0.00 0.00 61.00 61.34 1iqd s PRO 120 Cb -0.17 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 1iqd s PRO 120 CO 0.55 -0.73 0.02 -1.12 0.04 0.00 0.00 177.00 175.76 1iqd s SER 121 N -4.35 5.35 -0.25 6.66 0.01 -0.37 -4.94 113.70 115.81 1iqd s SER 121 Ca 0.55 0.14 -0.04 0.00 1.31 0.00 0.00 55.95 57.90 1iqd s SER 121 Cb -0.10 -1.63 0.01 0.00 0.21 0.00 0.00 66.02 64.50 1iqd s SER 121 CO 0.43 0.33 -0.02 -0.69 0.41 0.00 0.00 173.24 173.70 1iqd s VAL 122 N -0.58 3.35 0.09 3.43 1.01 -1.26 -1.09 120.40 125.35 1iqd s VAL 122 Ca 0.10 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.39 1iqd s VAL 122 Cb -0.12 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1iqd s VAL 122 CO 0.02 0.24 -0.04 -0.36 0.00 0.00 0.00 175.10 174.97 1iqd s PHE 123 N 1.43 2.91 0.30 5.22 0.08 0.08 -4.93 117.98 123.07 1iqd s PHE 123 Ca 0.03 -0.06 -0.27 0.00 0.12 0.00 0.00 56.93 56.75 1iqd s PHE 123 Cb -0.16 -1.51 -0.10 0.00 -0.57 0.00 0.00 43.02 40.68 1iqd s PHE 123 CO -0.02 0.46 0.94 -1.25 -0.10 0.00 0.00 175.22 175.24 1iqd s PRO 124 N -2.20 4.64 -0.34 0.24 0.04 -1.26 -0.39 135.00 135.72 1iqd s PRO 124 Ca 0.24 1.35 -0.03 0.00 0.04 0.00 0.00 61.00 62.60 1iqd s PRO 124 Cb -0.11 -2.90 0.06 0.00 0.04 0.00 0.00 34.50 31.58 1iqd s PRO 124 CO 0.16 0.33 0.08 -0.51 0.04 0.00 0.00 177.00 177.11 1iqd s LEU 125 N -1.87 4.36 -0.02 -3.56 2.01 0.85 -4.83 118.68 115.62 1iqd s LEU 125 Ca 0.48 -1.42 -0.00 0.00 0.01 0.00 0.00 54.13 53.20 1iqd s LEU 125 Cb -0.20 -1.79 0.03 0.00 0.01 0.00 0.00 46.19 44.24 1iqd s LEU 125 CO 0.25 -0.35 0.03 0.00 1.01 0.00 0.00 176.35 177.29 1iqd s ALA 126 N 1.27 0.10 0.00 4.21 0.00 -1.26 -1.33 121.76 124.75 1iqd s ALA 126 Ca -0.01 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1iqd s ALA 126 Cb -0.20 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.65 1iqd s ALA 126 CO -0.01 -0.11 0.00 0.25 0.00 0.00 0.00 175.76 175.89 1iqd n THR 136 N 4.21 0.00 -4.44 0.00 -2.24 -1.26 -5.10 114.28 105.45 1iqd n THR 136 Ca -0.27 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.27 1iqd n THR 136 Cb 0.50 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.63 1iqd n THR 136 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iqd s ALA 137 N 0.00 2.81 -0.01 6.98 0.00 -1.26 -4.92 121.76 125.36 1iqd s ALA 137 Ca 0.00 -1.82 0.07 0.00 0.00 0.00 0.00 51.96 50.20 1iqd s ALA 137 Cb 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1iqd s ALA 137 CO 0.00 0.29 -0.21 0.00 0.00 0.00 0.00 175.76 175.83 1iqd s ALA 138 N -2.43 1.79 0.11 0.00 0.00 -1.26 -0.29 121.76 119.68 1iqd s ALA 138 Ca 0.30 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 51.28 1iqd s ALA 138 Cb -0.05 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 1iqd s ALA 138 CO 0.16 0.43 0.09 -0.51 0.00 0.00 0.00 175.76 175.93 1iqd s LEU 139 N -0.58 1.78 0.00 0.00 2.01 -0.75 -4.83 118.68 116.31 1iqd s LEU 139 Ca 0.08 -1.04 -0.03 0.00 0.01 0.00 0.00 54.13 53.15 1iqd s LEU 139 Cb -0.08 0.50 0.01 0.00 0.01 0.00 0.00 46.19 46.62 1iqd s LEU 139 CO -0.01 -0.72 0.14 0.61 1.01 0.00 0.00 176.35 177.38 1iqd n GLY 140 N -0.06 0.81 2.98 -3.19 0.00 -0.44 -0.54 105.19 104.75 1iqd n GLY 140 Ca -0.09 -0.89 -0.18 0.00 0.00 0.00 0.00 46.02 44.86 1iqd n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqd s LEU 142 N 0.09 4.20 -0.66 0.00 2.96 0.47 -1.27 118.68 124.47 1iqd s LEU 142 Ca -0.01 -0.74 -0.15 0.00 -0.22 0.00 0.00 54.13 53.01 1iqd s LEU 142 Cb -0.06 -1.96 0.16 0.00 0.50 0.00 0.00 46.19 44.83 1iqd s LEU 142 CO -0.00 -0.25 0.63 -0.69 -1.32 0.00 0.00 176.35 174.72 1iqd s VAL 143 N 1.55 5.33 0.10 1.68 1.01 0.12 -0.74 120.40 129.45 1iqd s VAL 143 Ca 0.03 -1.84 0.05 0.00 0.00 0.00 0.00 61.98 60.22 1iqd s VAL 143 Cb -0.18 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 1iqd s VAL 143 CO 0.05 -0.96 -0.02 -0.75 0.00 0.00 0.00 175.10 173.42 1iqd s LYS 144 N 1.15 2.45 -1.15 2.72 2.20 -0.25 -0.35 119.74 126.50 1iqd s LYS 144 Ca 0.10 -0.89 -0.07 0.00 -0.36 0.00 0.00 55.97 54.74 1iqd s LYS 144 Cb -0.21 -2.48 -0.03 0.00 -1.51 0.00 0.00 37.83 33.60 1iqd s LYS 144 CO -0.02 0.53 0.85 -0.25 -0.36 0.00 0.00 175.35 176.10 1iqd n ASP 145 N 0.55 -4.37 -4.55 1.43 8.00 -0.59 -1.24 116.55 115.78 1iqd n ASP 145 Ca -0.11 -0.80 -0.25 0.00 0.71 0.00 0.00 54.79 54.34 1iqd n ASP 145 Cb 0.52 -4.48 -0.10 0.00 -0.02 0.00 0.00 41.12 37.04 1iqd n ASP 145 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1iqd s TYR 146 N -3.47 2.42 -0.28 1.24 -0.85 -0.87 -4.40 117.35 111.13 1iqd s TYR 146 Ca 0.29 -0.44 -0.20 0.00 -0.52 0.00 0.00 57.07 56.20 1iqd s TYR 146 Cb -0.06 -1.31 0.10 0.00 0.38 0.00 0.00 41.96 41.07 1iqd s TYR 146 CO 0.79 0.60 0.84 0.12 -1.52 0.00 0.00 175.55 176.37 1iqd s PHE 147 N -2.56 -0.76 0.00 -3.49 5.36 -0.80 -0.08 117.98 115.64 1iqd s PHE 147 Ca 0.32 1.64 0.00 0.00 -0.96 0.00 0.00 56.93 57.93 1iqd s PHE 147 Cb 0.00 0.43 0.00 0.00 -0.34 0.00 0.00 43.02 43.11 1iqd s PHE 147 CO 0.17 -0.37 0.00 -0.35 -1.46 0.00 0.00 175.22 173.20 1iqd n PRO 148 N 3.40 1.95 -1.35 10.12 -0.04 -1.26 -1.09 135.00 146.72 1iqd n PRO 148 Ca -0.17 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.98 1iqd n PRO 148 Cb 0.57 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.12 1iqd n PRO 148 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1iqd s GLU 149 N 0.17 2.32 0.47 0.54 0.41 -1.26 -4.75 118.70 116.59 1iqd s GLU 149 Ca 0.00 1.05 0.07 0.00 -0.41 0.00 0.00 54.97 55.67 1iqd s GLU 149 Cb 0.00 -1.91 0.00 0.00 -1.78 0.00 0.00 34.13 30.44 1iqd s GLU 149 CO 0.00 -1.57 0.38 -1.25 -0.49 0.00 0.00 175.26 172.34 1iqd s PRO 150 N -4.96 2.37 -0.03 0.39 0.04 -1.26 -4.96 135.00 126.60 1iqd s PRO 150 Ca 0.61 -1.77 0.03 0.00 0.04 0.00 0.00 61.00 59.90 1iqd s PRO 150 Cb -0.16 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1iqd s PRO 150 CO 0.56 -0.38 -0.11 0.08 0.04 0.00 0.00 177.00 177.18 1iqd s VAL 151 N -2.62 0.94 0.16 -0.36 1.01 -1.26 -4.51 120.40 113.76 1iqd s VAL 151 Ca 0.42 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 62.02 1iqd s VAL 151 Cb -0.02 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1iqd s VAL 151 CO 0.25 0.28 -0.03 0.42 0.00 0.00 0.00 175.10 176.02 1iqd s THR 152 N 0.10 3.60 -0.06 3.92 -4.23 -0.40 -4.96 115.64 113.61 1iqd s THR 152 Ca -0.02 -1.43 -0.05 0.00 -1.18 0.00 0.00 61.69 59.01 1iqd s THR 152 Cb -0.09 -2.78 0.02 0.00 1.34 0.00 0.00 72.50 70.99 1iqd s THR 152 CO 0.01 -0.07 0.15 -0.69 -0.54 0.00 0.00 174.62 173.48 1iqd s VAL 153 N -1.64 -0.00 0.20 2.29 1.01 -1.26 -1.43 120.40 119.56 1iqd s VAL 153 Ca 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 1iqd s VAL 153 Cb -0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 1iqd s VAL 153 CO 0.17 0.00 0.12 -0.94 0.00 0.00 0.00 175.10 174.45 1iqd s SER 154 N 0.12 0.24 -0.02 3.32 1.04 -0.65 -4.97 113.70 112.79 1iqd s SER 154 Ca -0.00 -1.37 0.06 0.00 0.48 0.00 0.00 55.95 55.12 1iqd s SER 154 Cb -0.01 0.35 -0.02 0.00 0.10 0.00 0.00 66.02 66.45 1iqd s SER 154 CO -0.00 -0.82 -0.21 0.26 0.98 0.00 0.00 173.24 173.45 1iqd s TRP 155 N -4.12 1.95 -1.54 5.02 0.52 -1.26 -0.10 118.94 119.41 1iqd s TRP 155 Ca 0.37 -0.39 -0.09 0.00 0.02 0.00 0.00 56.10 56.00 1iqd s TRP 155 Cb 0.07 -1.26 0.08 0.00 -1.15 0.00 0.00 33.47 31.21 1iqd s TRP 155 CO 0.11 -0.05 0.65 0.09 0.02 0.00 0.00 176.95 177.76 1iqd n ASN 156 N 2.61 -2.14 -1.39 2.95 5.03 0.22 -0.13 115.26 122.41 1iqd n ASN 156 Ca -0.16 -0.98 -0.16 0.00 0.87 0.00 0.00 54.58 54.16 1iqd n ASN 156 Cb 0.53 -3.06 -0.05 0.00 -1.02 0.00 0.00 39.78 36.18 1iqd n ASN 156 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1iqd n SER 157 N -2.83 -4.86 0.00 6.41 7.64 -1.26 -2.02 113.62 116.69 1iqd n SER 157 Ca -0.11 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1iqd n SER 157 Cb 0.59 -3.83 0.00 0.00 -1.01 0.00 0.00 64.21 59.96 1iqd n SER 157 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iqd n GLY 158 N -1.02 0.64 0.24 0.23 0.00 0.81 -4.93 105.19 101.16 1iqd n GLY 158 Ca -0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.95 1iqd n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqd h ALA 159 N 0.00 1.29 -3.04 4.61 0.00 -1.18 -3.40 119.26 117.53 1iqd h ALA 159 Ca 0.00 -0.18 -0.68 0.00 0.00 0.00 0.00 54.91 54.06 1iqd h ALA 159 Cb 0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 17.79 17.49 1iqd h ALA 159 CO 0.00 0.25 -0.64 -1.17 0.00 0.00 0.00 179.25 177.69 1iqd s LEU 160 N -7.49 3.76 0.00 0.00 2.96 -1.01 -4.89 118.68 112.01 1iqd s LEU 160 Ca -0.02 -0.71 0.00 0.00 -0.22 0.00 0.00 54.13 53.18 1iqd s LEU 160 Cb 0.13 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.96 1iqd s LEU 160 CO 0.63 -0.18 0.00 0.35 -1.32 0.00 0.00 176.35 175.83 1iqd n THR 161 N 4.85 0.00 -2.08 3.68 -2.24 -1.26 -4.07 114.28 113.16 1iqd n THR 161 Ca -0.15 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 1iqd n THR 161 Cb 0.48 -0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.24 1iqd n THR 161 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1iqd s SER 162 N -2.06 6.73 0.00 3.42 0.15 -1.26 -2.83 113.70 117.85 1iqd s SER 162 Ca 0.00 2.32 0.00 0.00 0.70 0.00 0.00 55.95 58.97 1iqd s SER 162 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1iqd s SER 162 CO 0.00 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.26 1iqd n GLY 163 N 3.78 0.55 3.83 9.45 0.00 -1.26 -4.75 105.19 116.78 1iqd n GLY 163 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1iqd n GLY 163 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1iqd s VAL 164 N -2.23 4.80 -0.19 1.61 -7.23 -1.13 -1.78 120.40 114.25 1iqd s VAL 164 Ca 0.00 1.00 -0.04 0.00 -1.81 0.00 0.00 61.98 61.14 1iqd s VAL 164 Cb 0.00 -3.80 0.06 0.00 0.56 0.00 0.00 36.38 33.20 1iqd s VAL 164 CO 0.00 0.37 0.06 -1.00 -0.31 0.00 0.00 175.10 174.22 1iqd s HIS 165 N -1.33 0.67 -0.31 2.82 3.76 0.62 -4.98 115.29 116.54 1iqd s HIS 165 Ca 0.34 -0.65 -0.08 0.00 -0.15 0.00 0.00 55.06 54.53 1iqd s HIS 165 Cb -0.17 -0.89 0.01 0.00 1.11 0.00 0.00 32.58 32.63 1iqd s HIS 165 CO 0.19 -0.58 0.12 0.99 -0.85 0.00 0.00 174.74 174.61 1iqd s THR 166 N 1.98 4.22 0.56 1.30 2.01 -1.26 -0.74 115.64 123.71 1iqd s THR 166 Ca 0.01 -0.64 -0.11 0.00 0.31 0.00 0.00 61.69 61.26 1iqd s THR 166 Cb -0.17 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 1iqd s THR 166 CO -0.09 0.03 0.96 -0.36 -0.69 0.00 0.00 174.62 174.47 1iqd s PHE 167 N 1.54 3.58 0.53 4.92 0.40 -0.74 -5.02 117.98 123.19 1iqd s PHE 167 Ca 0.03 1.21 -0.22 0.00 -0.60 0.00 0.00 56.93 57.36 1iqd s PHE 167 Cb -0.17 -2.63 -0.05 0.00 0.51 0.00 0.00 43.02 40.67 1iqd s PHE 167 CO 0.04 -0.52 1.29 -2.14 0.70 0.00 0.00 175.22 174.59 1iqd s PRO 168 N -4.83 3.26 0.69 0.24 0.02 -1.26 -4.57 135.00 128.54 1iqd s PRO 168 Ca 0.54 2.07 -0.14 0.00 0.02 0.00 0.00 61.00 63.49 1iqd s PRO 168 Cb -0.11 -2.24 0.01 0.00 0.02 0.00 0.00 34.50 32.18 1iqd s PRO 168 CO 0.47 -1.05 1.10 0.00 -0.33 0.00 0.00 177.00 177.20 1iqd s ALA 169 N -1.40 2.42 -0.04 -1.55 0.00 -1.26 -4.79 121.76 115.15 1iqd s ALA 169 Ca 0.71 0.47 0.07 0.00 0.00 0.00 0.00 51.96 53.20 1iqd s ALA 169 Cb -0.36 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 1iqd s ALA 169 CO 0.42 -1.39 -0.24 0.14 0.00 0.00 0.00 175.76 174.69 1iqd s VAL 170 N -2.49 1.92 -0.23 0.00 -7.23 -0.21 -4.95 120.40 107.21 1iqd s VAL 170 Ca 0.65 -1.01 -0.23 0.00 -1.81 0.00 0.00 61.98 59.58 1iqd s VAL 170 Cb -0.20 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 1iqd s VAL 170 CO 0.45 0.54 0.75 -0.22 -0.31 0.00 0.00 175.10 176.31 1iqd s LEU 171 N -0.34 4.09 0.73 1.32 0.20 -1.26 -1.58 118.68 121.84 1iqd s LEU 171 Ca 0.03 0.93 -0.07 0.00 0.69 0.00 0.00 54.13 55.71 1iqd s LEU 171 Cb -0.11 -3.07 0.08 0.00 -0.43 0.00 0.00 46.19 42.66 1iqd s LEU 171 CO 0.01 -0.44 1.05 -1.10 -0.29 0.00 0.00 176.35 175.58 1iqd s GLN 172 N 2.59 2.02 0.41 1.98 -0.21 0.29 -4.97 119.66 121.78 1iqd s GLN 172 Ca 0.32 -0.29 0.14 0.00 0.02 0.00 0.00 55.36 55.55 1iqd s GLN 172 Cb -0.15 -2.14 0.87 0.00 1.00 0.00 0.00 33.01 32.58 1iqd s GLN 172 CO 0.08 -1.37 1.90 0.77 -2.12 0.00 0.00 175.29 174.55 1iqd h SER 173 N -0.71 0.00 0.34 5.90 0.02 -1.97 -1.58 113.55 115.55 1iqd h SER 173 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1iqd h SER 173 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1iqd h SER 173 CO 0.58 0.29 0.00 -1.54 -1.14 0.00 0.00 176.83 175.01 1iqd n SER 174 N -4.14 0.00 0.00 3.07 3.41 -1.26 -4.83 113.62 109.87 1iqd n SER 174 Ca -0.02 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1iqd n SER 174 Cb 0.34 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1iqd n SER 174 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iqd n GLY 175 N 0.12 1.14 3.94 5.00 0.00 -0.59 -4.87 105.19 109.92 1iqd n GLY 175 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 1iqd n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iqd s LEU 176 N 0.00 4.18 0.27 0.99 1.43 -1.26 -4.80 118.68 119.49 1iqd s LEU 176 Ca 0.00 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1iqd s LEU 176 Cb 0.00 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.03 1iqd s LEU 176 CO 0.00 -0.12 0.46 -0.31 0.23 0.00 0.00 176.35 176.60 1iqd s TYR 177 N -2.02 3.48 -0.02 0.29 2.02 0.88 -0.55 117.35 121.43 1iqd s TYR 177 Ca 0.38 0.31 -0.02 0.00 -0.37 0.00 0.00 57.07 57.37 1iqd s TYR 177 Cb -0.10 -1.84 0.01 0.00 -0.40 0.00 0.00 41.96 39.63 1iqd s TYR 177 CO 0.31 0.28 0.06 0.45 -1.57 0.00 0.00 175.55 175.08 1iqd s SER 178 N -3.61 -0.04 0.00 2.29 0.15 -0.61 -1.54 113.70 110.34 1iqd s SER 178 Ca 0.39 0.11 -0.01 0.00 0.70 0.00 0.00 55.95 57.14 1iqd s SER 178 Cb -0.10 0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.29 1iqd s SER 178 CO 0.32 -0.05 0.02 -0.22 1.20 0.00 0.00 173.24 174.51 1iqd s LEU 179 N 0.30 1.98 0.07 3.45 0.20 0.52 -1.04 118.68 124.16 1iqd s LEU 179 Ca -0.02 -0.16 0.10 0.00 0.69 0.00 0.00 54.13 54.73 1iqd s LEU 179 Cb -0.03 0.16 -0.03 0.00 -0.43 0.00 0.00 46.19 45.85 1iqd s LEU 179 CO -0.01 -0.15 -0.26 -0.44 -0.29 0.00 0.00 176.35 175.20 1iqd s SER 180 N -0.64 3.24 -0.05 3.68 0.01 -1.26 0.15 113.70 118.83 1iqd s SER 180 Ca -0.07 -0.62 0.01 0.00 1.31 0.00 0.00 55.95 56.58 1iqd s SER 180 Cb -0.04 -0.29 0.02 0.00 0.21 0.00 0.00 66.02 65.92 1iqd s SER 180 CO -0.00 0.24 -0.05 -0.55 0.41 0.00 0.00 173.24 173.29 1iqd s SER 181 N -1.46 1.09 0.30 2.44 0.15 -0.40 -1.79 113.70 114.03 1iqd s SER 181 Ca 0.12 -0.14 0.06 0.00 0.70 0.00 0.00 55.95 56.69 1iqd s SER 181 Cb -0.10 -0.49 -0.06 0.00 -1.71 0.00 0.00 66.02 63.66 1iqd s SER 181 CO 0.03 -0.06 -0.02 0.68 1.20 0.00 0.00 173.24 175.08 1iqd s VAL 182 N 0.98 1.49 -0.09 4.45 -7.23 0.08 -0.50 120.40 119.57 1iqd s VAL 182 Ca -0.10 -2.07 -0.08 0.00 -1.81 0.00 0.00 61.98 57.92 1iqd s VAL 182 Cb -0.14 -2.57 0.03 0.00 0.56 0.00 0.00 36.38 34.25 1iqd s VAL 182 CO -0.00 -0.20 0.24 0.54 -0.31 0.00 0.00 175.10 175.37 1iqd s VAL 183 N -3.11 -0.01 -0.13 1.32 0.11 0.30 -0.28 120.40 118.61 1iqd s VAL 183 Ca 0.32 0.03 -0.04 0.00 -2.93 0.00 0.00 61.98 59.35 1iqd s VAL 183 Cb 0.06 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 1iqd s VAL 183 CO 0.13 0.01 0.03 0.42 -3.33 0.00 0.00 175.10 172.36 1iqd s THR 184 N 0.34 4.49 0.00 5.04 -4.23 -0.73 -1.82 115.64 118.73 1iqd s THR 184 Ca -0.02 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 1iqd s THR 184 Cb -0.03 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.86 1iqd s THR 184 CO -0.01 0.55 0.00 1.33 -0.54 0.00 0.00 174.62 175.94 1iqd n VAL 185 N 2.77 0.00 -3.68 2.29 0.24 0.60 -4.73 118.33 115.81 1iqd n VAL 185 Ca -0.18 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.78 1iqd n VAL 185 Cb 0.53 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.85 1iqd n VAL 185 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1iqd s THR 192 N 2.00 5.21 0.11 3.34 2.01 -1.26 -4.36 115.64 122.69 1iqd s THR 192 Ca 0.00 0.23 -0.05 0.00 0.31 0.00 0.00 61.69 62.18 1iqd s THR 192 Cb 0.00 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 1iqd s THR 192 CO 0.00 0.27 0.13 0.00 -0.69 0.00 0.00 174.62 174.33 1iqd s ALA 193 N -1.41 0.28 -0.10 7.40 0.00 -1.26 -5.16 121.76 121.51 1iqd s ALA 193 Ca 0.32 -1.04 -0.07 0.00 0.00 0.00 0.00 51.96 51.17 1iqd s ALA 193 Cb -0.13 0.62 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 1iqd s ALA 193 CO 0.19 -0.50 0.16 0.99 0.00 0.00 0.00 175.76 176.59 1iqd s THR 194 N -3.95 5.48 -0.16 0.00 2.01 -1.26 -5.09 115.64 112.67 1iqd s THR 194 Ca 0.13 0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.34 1iqd s THR 194 Cb 0.06 -3.43 0.02 0.00 0.01 0.00 0.00 72.50 69.16 1iqd s THR 194 CO -0.05 0.59 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.00 1iqd s TYR 195 N -1.06 2.36 -0.05 4.92 2.02 -1.26 -4.94 117.35 119.33 1iqd s TYR 195 Ca 0.17 -1.34 0.02 0.00 -0.37 0.00 0.00 57.07 55.54 1iqd s TYR 195 Cb -0.12 -1.69 0.01 0.00 -0.40 0.00 0.00 41.96 39.76 1iqd s TYR 195 CO 0.06 -0.70 -0.08 0.99 -1.57 0.00 0.00 175.55 174.24 1iqd s THR 196 N 1.39 0.80 -0.16 -0.71 2.01 -1.26 -0.44 115.64 117.26 1iqd s THR 196 Ca 0.04 -0.30 -0.12 0.00 0.31 0.00 0.00 61.69 61.63 1iqd s THR 196 Cb -0.13 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.58 1iqd s THR 196 CO -0.11 0.27 0.22 0.00 -0.69 0.00 0.00 174.62 174.32 1iqd s ASN 198 N 0.19 5.96 -0.11 0.00 -0.87 0.86 -1.26 114.94 119.71 1iqd s ASN 198 Ca 0.13 -0.84 -0.05 0.00 -1.57 0.00 0.00 52.86 50.54 1iqd s ASN 198 Cb -0.12 -2.11 -0.04 0.00 -0.02 0.00 0.00 41.25 38.96 1iqd s ASN 198 CO 0.02 -0.39 0.07 -0.69 -2.57 0.00 0.00 177.10 173.54 1iqd s VAL 199 N 1.64 4.87 -0.05 1.60 1.01 0.17 -1.63 120.40 128.01 1iqd s VAL 199 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 1iqd s VAL 199 Cb -0.19 -3.10 0.03 0.00 0.00 0.00 0.00 36.38 33.12 1iqd s VAL 199 CO 0.09 0.59 0.00 -0.62 0.00 0.00 0.00 175.10 175.17 1iqd s ASP 200 N -0.79 1.17 -0.58 3.32 -1.08 -0.52 -0.93 116.67 117.26 1iqd s ASP 200 Ca 0.13 -0.05 0.04 0.00 -0.52 0.00 0.00 52.55 52.15 1iqd s ASP 200 Cb -0.12 -0.34 0.16 0.00 -1.46 0.00 0.00 42.92 41.16 1iqd s ASP 200 CO 0.03 -0.16 0.41 -2.28 0.52 0.00 0.00 175.17 173.68 1iqd s HIS 201 N 1.65 2.71 0.34 -5.34 5.65 0.77 -1.27 115.29 119.80 1iqd s HIS 201 Ca -0.01 -2.96 0.08 0.00 0.25 0.00 0.00 55.06 52.43 1iqd s HIS 201 Cb -0.13 -2.16 0.78 0.00 -1.18 0.00 0.00 32.58 29.90 1iqd s HIS 201 CO -0.03 -0.66 1.85 0.87 -0.65 0.00 0.00 174.74 176.12 1iqd h LYS 202 N 5.70 0.71 -0.87 2.88 1.57 -1.79 -1.91 116.57 122.86 1iqd h LYS 202 Ca 0.14 -0.04 0.17 0.00 -1.87 0.00 0.00 60.65 59.05 1iqd h LYS 202 Cb 0.82 -0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.91 1iqd h LYS 202 CO 0.60 0.47 0.57 -1.35 -0.57 0.00 0.00 179.45 179.17 1iqd h PRO 203 N 0.73 0.50 -0.51 3.15 0.11 -1.91 -0.82 132.00 133.24 1iqd h PRO 203 Ca 0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1iqd h PRO 203 Cb 0.74 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1iqd h PRO 203 CO -0.23 0.33 0.00 -1.13 -0.21 0.00 0.00 178.00 176.76 1iqd n SER 204 N -4.53 3.45 -3.90 -2.05 3.41 -0.92 -4.95 113.62 104.12 1iqd n SER 204 Ca 0.18 -2.05 -0.29 0.00 -0.26 0.00 0.00 58.87 56.45 1iqd n SER 204 Cb 0.59 -0.36 0.02 0.00 -0.26 0.00 0.00 64.21 64.20 1iqd n SER 204 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1iqd n ASN 205 N 0.96 -4.02 -4.40 4.04 2.85 -0.31 -4.80 115.26 109.58 1iqd n ASN 205 Ca 0.18 -0.81 -0.34 0.00 -0.11 0.00 0.00 54.58 53.50 1iqd n ASN 205 Cb 0.54 -3.83 -0.13 0.00 1.24 0.00 0.00 39.78 37.60 1iqd n ASN 205 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1iqd s THR 206 N -3.38 3.42 -0.04 -0.44 2.01 -0.76 -5.00 115.64 111.44 1iqd s THR 206 Ca 0.54 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 62.05 1iqd s THR 206 Cb -0.27 -2.49 0.01 0.00 0.01 0.00 0.00 72.50 69.76 1iqd s THR 206 CO 0.83 0.49 -0.08 -0.54 -0.69 0.00 0.00 174.62 174.63 1iqd s LYS 207 N 0.61 1.07 -0.02 4.92 1.02 -1.26 -0.16 119.74 125.92 1iqd s LYS 207 Ca -0.05 -0.27 -0.01 0.00 0.02 0.00 0.00 55.97 55.66 1iqd s LYS 207 Cb -0.15 -0.98 0.01 0.00 -0.52 0.00 0.00 37.83 36.20 1iqd s LYS 207 CO 0.03 0.04 0.04 0.08 -0.92 0.00 0.00 175.35 174.62 1iqd s VAL 208 N 0.48 -0.02 -0.29 3.17 1.01 -0.11 -5.00 120.40 119.63 1iqd s VAL 208 Ca -0.08 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 1iqd s VAL 208 Cb -0.12 -0.07 0.05 0.00 0.00 0.00 0.00 36.38 36.24 1iqd s VAL 208 CO 0.01 0.03 -0.02 -1.81 0.00 0.00 0.00 175.10 173.31 1iqd s ASP 209 N 0.43 4.81 -0.27 3.32 1.01 -1.26 0.43 116.67 125.15 1iqd s ASP 209 Ca -0.03 -1.31 -0.06 0.00 0.71 0.00 0.00 52.55 51.86 1iqd s ASP 209 Cb -0.05 -1.68 -0.00 0.00 1.01 0.00 0.00 42.92 42.20 1iqd s ASP 209 CO -0.01 -0.25 0.04 -0.75 0.21 0.00 0.00 175.17 174.41 1iqd s LYS 210 N 1.22 3.25 0.08 8.23 2.36 -0.39 -4.93 119.74 129.57 1iqd s LYS 210 Ca -0.06 -0.74 -0.28 0.00 -2.55 0.00 0.00 55.97 52.35 1iqd s LYS 210 Cb -0.20 -3.25 -0.06 0.00 -1.05 0.00 0.00 37.83 33.27 1iqd s LYS 210 CO -0.02 -0.33 0.88 0.50 1.55 0.00 0.00 175.35 177.93 1iqd s ARG 211 N 1.51 4.62 0.00 4.03 3.52 -1.26 -0.92 118.95 130.44 1iqd s ARG 211 Ca 0.04 1.30 0.12 0.00 -0.13 0.00 0.00 55.73 57.05 1iqd s ARG 211 Cb -0.16 -3.37 0.09 0.00 -1.56 0.00 0.00 34.95 29.95 1iqd s ARG 211 CO 0.01 0.24 0.87 0.28 -0.81 0.00 0.00 175.30 175.89