#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2q h PHE 3 N 0.00 0.43 -0.46 7.33 3.04 -2.02 -3.05 116.94 122.21 2i2q h PHE 3 Ca 0.00 -0.10 -0.01 0.00 3.98 0.00 0.00 57.97 61.84 2i2q h PHE 3 Cb 0.00 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.39 2i2q h PHE 3 CO 0.00 0.67 0.26 0.66 -2.02 0.00 0.00 178.31 177.88 2i2q h SER 4 N 0.07 0.55 -0.14 0.41 4.64 -2.02 -3.45 113.55 113.61 2i2q h SER 4 Ca 0.04 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.27 2i2q h SER 4 Cb 0.55 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 2i2q h SER 4 CO 0.02 0.44 -0.05 0.61 -0.87 0.00 0.00 176.83 176.98 2i2q n GLY 5 N -1.35 0.55 3.74 -0.77 0.00 -1.15 -4.98 105.19 101.22 2i2q n GLY 5 Ca 0.04 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 2i2q n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2i2q s VAL 6 N -1.84 5.16 0.06 1.61 1.01 -1.26 -4.83 120.40 120.31 2i2q s VAL 6 Ca 0.00 0.92 0.02 0.00 0.00 0.00 0.00 61.98 62.92 2i2q s VAL 6 Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2i2q s VAL 6 CO 0.00 0.37 0.11 -0.54 0.00 0.00 0.00 175.10 175.04 2i2q s LYS 7 N 0.32 3.03 -0.31 2.72 1.02 -0.26 -4.95 119.74 121.32 2i2q s LYS 7 Ca 0.25 -0.60 -0.12 0.00 0.02 0.00 0.00 55.97 55.52 2i2q s LYS 7 Cb -0.15 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.31 2i2q s LYS 7 CO 0.11 0.59 0.24 0.08 -0.92 0.00 0.00 175.35 175.45 2i2q s VAL 8 N -1.37 5.28 0.61 3.17 1.01 -1.26 -0.51 120.40 127.33 2i2q s VAL 8 Ca 0.29 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 62.14 2i2q s VAL 8 Cb -0.12 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2i2q s VAL 8 CO 0.22 0.12 1.28 -1.54 0.00 0.00 0.00 175.10 175.18 2i2q n SER 9 N 5.13 2.14 -0.18 3.32 3.41 -0.82 -4.87 113.62 121.76 2i2q n SER 9 Ca -0.13 0.88 0.11 0.00 -0.26 0.00 0.00 58.87 59.47 2i2q n SER 9 Cb 0.51 -1.55 0.42 0.00 -0.26 0.00 0.00 64.21 63.33 2i2q n SER 9 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2i2q h PRO 10 N 0.82 0.58 -0.53 4.33 0.11 -1.97 -0.58 132.00 134.76 2i2q h PRO 10 Ca -0.51 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 2i2q h PRO 10 Cb 1.33 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2i2q h PRO 10 CO 0.54 0.39 0.29 1.49 -0.21 0.00 0.00 178.00 180.50 2i2q h GLU 11 N 0.60 0.72 -0.14 1.05 4.81 -1.95 -0.36 114.58 119.31 2i2q h GLU 11 Ca 0.35 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 2i2q h GLU 11 Cb 0.54 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2i2q h GLU 11 CO -0.12 0.53 0.06 0.00 -0.73 0.00 0.00 179.01 178.75 2i2q h LEU 13 N 0.09 0.33 -0.57 0.00 3.38 -1.30 -1.25 115.31 115.98 2i2q h LEU 13 Ca 0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2i2q h LEU 13 Cb 0.13 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2i2q h LEU 13 CO -0.01 0.33 0.35 -0.08 0.09 0.00 0.00 178.44 179.13 2i2q h GLU 14 N 0.31 0.78 -0.56 1.13 4.22 -0.96 0.57 114.58 120.06 2i2q h GLU 14 Ca 0.09 -0.07 -0.06 0.00 0.08 0.00 0.00 59.36 59.41 2i2q h GLU 14 Cb 0.08 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2i2q h GLU 14 CO -0.01 0.55 0.11 0.00 -2.18 0.00 0.00 179.01 177.48 2i2q h ALA 15 N 1.18 0.74 -0.34 2.92 0.00 -0.78 0.72 119.26 123.70 2i2q h ALA 15 Ca 0.21 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2i2q h ALA 15 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2i2q h ALA 15 CO -0.04 0.46 0.11 0.35 0.00 0.00 0.00 179.25 180.13 2i2q h PHE 16 N 0.80 0.55 -0.70 0.00 3.57 -0.91 -1.19 116.94 119.06 2i2q h PHE 16 Ca 0.17 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 2i2q h PHE 16 Cb 0.38 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 2i2q h PHE 16 CO 0.03 0.54 0.27 1.96 -2.23 0.00 0.00 178.31 178.87 2i2q h GLN 17 N 0.40 1.06 -0.69 1.11 1.08 -0.70 -0.86 115.11 116.51 2i2q h GLN 17 Ca 0.11 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 2i2q h GLN 17 Cb 0.24 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 2i2q h GLN 17 CO -0.00 0.88 0.37 1.49 -0.95 0.00 0.00 178.83 180.62 2i2q h GLU 18 N 1.01 0.97 -0.41 1.46 4.81 -0.69 0.50 114.58 122.22 2i2q h GLU 18 Ca 0.23 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 2i2q h GLU 18 Cb 0.23 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2i2q h GLU 18 CO -0.02 0.73 0.12 1.25 -0.73 0.00 0.00 179.01 180.36 2i2q h LEU 19 N 0.95 0.60 -0.03 1.64 6.46 -0.85 0.20 115.31 124.28 2i2q h LEU 19 Ca 0.24 -0.22 -0.13 0.00 -0.12 0.00 0.00 57.88 57.65 2i2q h LEU 19 Cb 0.05 -0.16 0.01 0.00 -0.73 0.00 0.00 40.66 39.83 2i2q h LEU 19 CO -0.04 0.66 -0.49 0.50 -0.62 0.00 0.00 178.44 178.45 2i2q h LYS 20 N 0.52 0.40 0.04 1.25 3.64 -0.83 -2.91 116.57 118.66 2i2q h LYS 20 Ca 0.13 -0.38 -0.34 0.00 -1.27 0.00 0.00 60.65 58.79 2i2q h LYS 20 Cb 0.28 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.15 2i2q h LYS 20 CO -0.00 1.04 -2.00 1.28 -2.27 0.00 0.00 179.45 177.50 2i2q n LEU 21 N -4.29 1.45 0.04 5.20 4.77 0.17 -4.42 117.00 119.93 2i2q n LEU 21 Ca -0.09 0.22 0.11 0.00 -0.03 0.00 0.00 56.01 56.22 2i2q n LEU 21 Cb 0.61 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 2i2q n LEU 21 CO 0.45 0.60 -0.26 0.61 -1.33 0.00 0.00 177.39 177.46 2i2q n GLY 22 N 1.79 -1.23 2.39 -0.72 0.00 0.61 -4.95 105.19 103.08 2i2q n GLY 22 Ca -0.27 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 2i2q n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i2q n LYS 23 N -2.32 -1.86 -0.44 1.61 4.76 -0.57 -4.83 118.16 114.51 2i2q n LYS 23 Ca -0.01 0.83 0.11 0.00 -2.87 0.00 0.00 58.31 56.36 2i2q n LYS 23 Cb 0.52 -5.40 0.32 0.00 -1.84 0.00 0.00 35.03 28.64 2i2q n LYS 23 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2i2q n SER 24 N -1.71 4.16 -3.86 4.39 3.41 -1.23 -4.91 113.62 113.89 2i2q n SER 24 Ca -0.19 -2.17 -0.12 0.00 -0.26 0.00 0.00 58.87 56.14 2i2q n SER 24 Cb 0.63 -0.50 -0.12 0.00 -0.26 0.00 0.00 64.21 63.96 2i2q n SER 24 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2i2q s LEU 25 N -1.31 1.58 -0.22 1.04 1.43 -1.26 -4.75 118.68 115.19 2i2q s LEU 25 Ca 0.48 0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.65 2i2q s LEU 25 Cb 0.27 0.50 -0.20 0.00 0.03 0.00 0.00 46.19 46.79 2i2q s LEU 25 CO 0.29 -0.19 -0.04 -1.14 0.23 0.00 0.00 176.35 175.50 2i2q n ARG 26 N 2.31 0.67 -3.56 1.70 3.00 0.85 -4.75 116.66 116.89 2i2q n ARG 26 Ca -0.17 0.13 -0.12 0.00 -0.00 0.00 0.00 57.85 57.69 2i2q n ARG 26 Cb 0.57 -1.56 -0.04 0.00 0.00 0.00 0.00 32.46 31.44 2i2q n ARG 26 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 2i2q s TYR 27 N -2.52 -0.37 -0.01 -0.14 -0.85 -1.01 -0.90 117.35 111.54 2i2q s TYR 27 Ca -0.26 0.20 0.00 0.00 -0.52 0.00 0.00 57.07 56.49 2i2q s TYR 27 Cb 0.08 0.37 0.01 0.00 0.38 0.00 0.00 41.96 42.80 2i2q s TYR 27 CO 0.69 -0.72 -0.01 0.08 -1.52 0.00 0.00 175.55 174.07 2i2q s VAL 28 N -3.35 0.13 -0.17 -3.49 1.01 -0.80 -1.39 120.40 112.34 2i2q s VAL 28 Ca -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 2i2q s VAL 28 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 36.20 2i2q s VAL 28 CO -0.09 0.08 -0.10 -0.69 0.00 0.00 0.00 175.10 174.30 2i2q s VAL 29 N 0.46 3.09 0.15 2.92 1.01 0.93 -1.48 120.40 127.48 2i2q s VAL 29 Ca -0.04 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.38 2i2q s VAL 29 Cb -0.07 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2i2q s VAL 29 CO -0.01 0.49 0.03 -0.36 0.00 0.00 0.00 175.10 175.24 2i2q s PHE 30 N 0.89 2.94 0.13 5.22 0.40 0.42 -0.34 117.98 127.64 2i2q s PHE 30 Ca -0.03 -0.09 -0.07 0.00 -0.60 0.00 0.00 56.93 56.15 2i2q s PHE 30 Cb -0.15 -1.44 -0.01 0.00 0.51 0.00 0.00 43.02 41.93 2i2q s PHE 30 CO 0.00 0.51 0.20 -1.59 0.70 0.00 0.00 175.22 175.04 2i2q s LYS 31 N -2.85 0.98 0.29 0.44 -2.85 -0.38 -2.19 119.74 113.19 2i2q s LYS 31 Ca 0.28 -1.15 -0.26 0.00 -1.00 0.00 0.00 55.97 53.84 2i2q s LYS 31 Cb -0.10 0.33 -0.09 0.00 -2.06 0.00 0.00 37.83 35.91 2i2q s LYS 31 CO 0.20 -0.33 0.90 -1.64 0.10 0.00 0.00 175.35 174.58 2i2q s MET 32 N -3.94 4.57 1.03 1.78 -1.94 -1.26 -0.51 119.30 119.02 2i2q s MET 32 Ca 0.14 1.27 -0.16 0.00 -1.71 0.00 0.00 55.69 55.23 2i2q s MET 32 Cb 0.05 -2.89 0.21 0.00 2.01 0.00 0.00 34.83 34.21 2i2q s MET 32 CO -0.04 0.34 1.20 0.54 -0.01 0.00 0.00 175.02 177.05 2i2q s ASN 33 N -1.55 2.48 0.52 3.03 4.22 0.03 -4.87 114.94 118.80 2i2q s ASN 33 Ca 0.47 0.57 0.16 0.00 -2.14 0.00 0.00 52.86 51.92 2i2q s ASN 33 Cb -0.19 -0.81 1.28 0.00 1.28 0.00 0.00 41.25 42.81 2i2q s ASN 33 CO 0.24 -3.15 2.15 0.44 -2.04 0.00 0.00 177.10 174.74 2i2q h ASP 34 N -1.92 0.00 0.07 3.54 3.32 -1.97 -1.63 116.42 117.83 2i2q h ASP 34 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2i2q h ASP 34 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2i2q h ASP 34 CO 0.43 0.00 -0.12 0.35 -1.72 0.00 0.00 179.24 178.18 2i2q n THR 35 N -4.52 0.00 -3.09 0.35 -2.24 -1.26 -4.93 114.28 98.59 2i2q n THR 35 Ca -0.03 -0.24 -0.22 0.00 -2.27 0.00 0.00 64.05 61.29 2i2q n THR 35 Cb 0.09 0.64 0.04 0.00 -2.10 0.00 0.00 70.33 69.00 2i2q n THR 35 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2i2q n LYS 36 N 0.02 -5.29 0.00 -0.78 5.02 -0.61 -4.87 118.16 111.65 2i2q n LYS 36 Ca 0.15 0.90 0.03 0.00 -2.02 0.00 0.00 58.31 57.36 2i2q n LYS 36 Cb 0.39 -5.76 -0.02 0.00 -0.02 0.00 0.00 35.03 29.62 2i2q n LYS 36 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2i2q n THR 37 N -4.58 0.00 -3.70 -0.18 -2.24 -1.26 -4.83 114.28 97.48 2i2q n THR 37 Ca -0.10 -0.39 -0.14 0.00 -2.27 0.00 0.00 64.05 61.15 2i2q n THR 37 Cb 0.61 1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 69.77 2i2q n THR 37 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2i2q s GLU 38 N -1.36 0.65 -0.17 -0.78 2.12 -1.26 -1.10 118.70 116.79 2i2q s GLU 38 Ca 0.03 0.35 -0.13 0.00 0.36 0.00 0.00 54.97 55.58 2i2q s GLU 38 Cb 0.04 0.31 -0.05 0.00 0.26 0.00 0.00 34.13 34.69 2i2q s GLU 38 CO 0.20 -0.14 0.24 0.42 -0.54 0.00 0.00 175.26 175.44 2i2q s ILE 39 N -0.41 5.34 0.38 -3.70 1.01 0.34 -0.79 121.20 123.37 2i2q s ILE 39 Ca -0.05 0.43 0.04 0.00 0.00 0.00 0.00 60.65 61.07 2i2q s ILE 39 Cb -0.03 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 2i2q s ILE 39 CO 0.03 0.41 0.06 0.68 0.00 0.00 0.00 174.94 176.11 2i2q s VAL 40 N 0.43 1.20 -0.16 2.92 -7.23 0.34 -1.94 120.40 115.96 2i2q s VAL 40 Ca 0.14 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.10 2i2q s VAL 40 Cb -0.12 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 2i2q s VAL 40 CO 0.02 0.00 0.63 -0.69 -0.31 0.00 0.00 175.10 174.75 2i2q s VAL 41 N -3.12 5.05 -0.20 1.32 1.01 -1.26 -1.25 120.40 121.94 2i2q s VAL 41 Ca 0.30 1.22 0.03 0.00 0.00 0.00 0.00 61.98 63.52 2i2q s VAL 41 Cb 0.07 -3.95 -0.21 0.00 0.00 0.00 0.00 36.38 32.29 2i2q s VAL 41 CO 0.14 0.17 0.03 1.21 0.00 0.00 0.00 175.10 176.65 2i2q n GLU 42 N 4.58 0.68 -3.63 2.72 2.13 0.54 -4.91 120.64 122.75 2i2q n GLU 42 Ca -0.02 0.16 -0.15 0.00 0.66 0.00 0.00 57.16 57.81 2i2q n GLU 42 Cb 0.50 -1.59 -0.07 0.00 0.27 0.00 0.00 31.44 30.55 2i2q n GLU 42 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2i2q s LYS 43 N -2.53 0.84 0.01 5.31 2.47 -0.94 -4.99 119.74 119.91 2i2q s LYS 43 Ca -0.26 0.42 0.00 0.00 -1.56 0.00 0.00 55.97 54.57 2i2q s LYS 43 Cb 0.08 0.40 -0.01 0.00 -1.46 0.00 0.00 37.83 36.83 2i2q s LYS 43 CO 0.70 -0.20 -0.03 -1.59 0.16 0.00 0.00 175.35 174.39 2i2q s LYS 44 N -0.58 0.22 0.06 4.03 -2.85 -1.26 -0.05 119.74 119.31 2i2q s LYS 44 Ca -0.07 -0.32 -0.11 0.00 -1.00 0.00 0.00 55.97 54.46 2i2q s LYS 44 Cb -0.03 -0.05 0.01 0.00 -2.06 0.00 0.00 37.83 35.71 2i2q s LYS 44 CO 0.05 0.00 0.25 0.45 0.10 0.00 0.00 175.35 176.21 2i2q s SER 45 N -0.70 -0.03 0.00 0.03 0.15 -0.48 -5.01 113.70 107.65 2i2q s SER 45 Ca -0.06 -0.35 0.15 0.00 0.70 0.00 0.00 55.95 56.38 2i2q s SER 45 Cb -0.05 0.34 0.06 0.00 -1.71 0.00 0.00 66.02 64.66 2i2q s SER 45 CO -0.00 -0.63 0.88 0.35 1.20 0.00 0.00 173.24 175.03 2i2q n THR 46 N 0.44 0.00 -1.93 6.45 -2.24 -1.26 -0.11 114.28 115.63 2i2q n THR 46 Ca -0.18 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.75 2i2q n THR 46 Cb 0.60 1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 70.04 2i2q n THR 46 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2i2q s ASP 47 N -1.48 6.60 0.00 3.42 -1.08 -1.26 -4.58 116.67 118.29 2i2q s ASP 47 Ca 0.15 2.48 0.28 0.00 -0.52 0.00 0.00 52.55 54.93 2i2q s ASP 47 Cb 0.12 -2.56 1.08 0.00 -1.46 0.00 0.00 42.92 40.10 2i2q s ASP 47 CO 0.27 -0.89 1.78 0.29 0.52 0.00 0.00 175.17 177.14 2i2q n LYS 48 N 5.72 0.39 -2.52 4.34 5.02 -1.26 -4.79 118.16 125.06 2i2q n LYS 48 Ca 0.16 -0.13 -0.43 0.00 -2.02 0.00 0.00 58.31 55.89 2i2q n LYS 48 Cb 0.41 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.90 2i2q n LYS 48 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2i2q s ASP 49 N -2.70 6.86 0.39 4.39 -1.08 -1.26 -4.92 116.67 118.35 2i2q s ASP 49 Ca 0.22 1.28 0.08 0.00 -0.52 0.00 0.00 52.55 53.61 2i2q s ASP 49 Cb 0.19 -2.54 0.85 0.00 -1.46 0.00 0.00 42.92 39.96 2i2q s ASP 49 CO 0.53 -0.90 1.99 0.15 0.52 0.00 0.00 175.17 177.46 2i2q h PHE 50 N 8.47 0.61 -0.23 -5.34 3.57 -2.01 -1.85 116.94 120.16 2i2q h PHE 50 Ca -0.24 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.26 2i2q h PHE 50 Cb 1.08 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 2i2q h PHE 50 CO 0.83 0.33 0.04 -0.44 -2.23 0.00 0.00 178.31 176.85 2i2q h ASP 51 N 0.61 0.29 -0.37 0.41 3.32 -1.99 -1.27 116.42 117.43 2i2q h ASP 51 Ca 0.26 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.15 2i2q h ASP 51 Cb 0.25 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2i2q h ASP 51 CO -0.08 0.32 -0.25 0.74 -1.72 0.00 0.00 179.24 178.25 2i2q h THR 52 N 0.32 1.27 -0.10 0.35 2.02 -1.74 -1.60 112.91 113.45 2i2q h THR 52 Ca 0.08 -1.40 -0.00 0.00 0.77 0.00 0.00 66.41 65.86 2i2q h THR 52 Cb 0.15 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2i2q h THR 52 CO -0.00 0.47 0.05 0.15 0.37 0.00 0.00 175.52 176.56 2i2q h PHE 53 N 0.75 0.14 -0.51 3.16 3.57 -1.23 -2.40 116.94 120.41 2i2q h PHE 53 Ca 0.09 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.63 2i2q h PHE 53 Cb 0.80 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 2i2q h PHE 53 CO 0.05 0.18 0.34 -0.07 -2.23 0.00 0.00 178.31 176.58 2i2q h LEU 54 N 0.06 0.46 -1.14 0.59 3.38 -1.09 0.36 115.31 117.93 2i2q h LEU 54 Ca 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2i2q h LEU 54 Cb 0.09 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2i2q h LEU 54 CO -0.01 0.31 0.00 1.23 0.09 0.00 0.00 178.44 180.07 2i2q h GLY 55 N 0.53 0.00 -1.67 0.83 0.00 -0.79 -2.56 103.07 99.42 2i2q h GLY 55 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2i2q h GLY 55 CO -0.06 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.70 2i2q n ASP 56 N -2.56 2.69 -4.78 0.19 8.00 0.11 -4.88 116.55 115.33 2i2q n ASP 56 Ca 0.01 -1.88 -0.36 0.00 0.71 0.00 0.00 54.79 53.27 2i2q n ASP 56 Cb 0.23 -0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.08 2i2q n ASP 56 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2i2q s LEU 57 N -1.56 4.28 0.36 0.64 1.43 -0.96 -5.04 118.68 117.84 2i2q s LEU 57 Ca 0.35 0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 53.58 2i2q s LEU 57 Cb 0.20 -2.19 -0.10 0.00 0.03 0.00 0.00 46.19 44.13 2i2q s LEU 57 CO 0.29 0.23 1.40 -2.84 0.23 0.00 0.00 176.35 175.66 2i2q s PRO 58 N -0.09 4.18 0.07 1.29 0.02 -1.26 -4.97 135.00 134.26 2i2q s PRO 58 Ca 0.13 2.39 -0.02 0.00 0.02 0.00 0.00 61.00 63.52 2i2q s PRO 58 Cb -0.12 -2.98 -0.27 0.00 0.02 0.00 0.00 34.50 31.15 2i2q s PRO 58 CO 0.02 -0.40 1.13 1.49 -0.33 0.00 0.00 177.00 178.91 2i2q h GLU 59 N 3.11 0.21 -0.14 5.54 4.81 -1.97 -3.38 114.58 122.76 2i2q h GLU 59 Ca -0.50 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.37 2i2q h GLU 59 Cb 1.24 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.75 2i2q h GLU 59 CO 0.64 1.15 0.00 1.63 -0.73 0.00 0.00 179.01 181.70 2i2q n LYS 60 N -3.48 2.83 -4.10 1.92 4.76 -1.26 -4.72 118.16 114.11 2i2q n LYS 60 Ca -0.08 -1.85 -0.08 0.00 -2.87 0.00 0.00 58.31 53.44 2i2q n LYS 60 Cb 1.01 -1.18 -0.10 0.00 -1.84 0.00 0.00 35.03 32.92 2i2q n LYS 60 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2i2q s ASP 61 N -1.18 0.53 0.48 4.39 3.68 -1.26 -4.22 116.67 119.08 2i2q s ASP 61 Ca 0.13 -1.02 -0.05 0.00 2.13 0.00 0.00 52.55 53.74 2i2q s ASP 61 Cb 0.08 0.20 -0.04 0.00 -1.45 0.00 0.00 42.92 41.71 2i2q s ASP 61 CO 0.06 -0.60 0.78 0.00 0.13 0.00 0.00 175.17 175.55 2i2q s ARG 63 N -4.71 1.77 0.22 0.00 1.81 0.28 -4.90 118.95 113.42 2i2q s ARG 63 Ca 0.47 -1.01 0.10 0.00 -1.72 0.00 0.00 55.73 53.57 2i2q s ARG 63 Cb -0.10 0.60 -0.05 0.00 -0.45 0.00 0.00 34.95 34.95 2i2q s ARG 63 CO 0.44 -0.81 -0.18 0.71 -0.68 0.00 0.00 175.30 174.79 2i2q s TYR 64 N -3.93 1.99 0.11 -0.53 1.51 -0.93 -0.19 117.35 115.38 2i2q s TYR 64 Ca 0.12 -0.45 -0.21 0.00 -1.01 0.00 0.00 57.07 55.52 2i2q s TYR 64 Cb -0.06 -0.92 0.06 0.00 -0.11 0.00 0.00 41.96 40.93 2i2q s TYR 64 CO 0.07 0.48 0.53 0.00 -1.11 0.00 0.00 175.55 175.52 2i2q s ALA 65 N -2.44 -1.36 -0.02 3.71 0.00 -0.10 -0.43 121.76 121.11 2i2q s ALA 65 Ca 0.23 0.41 0.05 0.00 0.00 0.00 0.00 51.96 52.65 2i2q s ALA 65 Cb -0.04 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 2i2q s ALA 65 CO 0.10 -0.66 -0.18 0.96 0.00 0.00 0.00 175.76 175.98 2i2q s ILE 66 N -3.34 1.46 -0.04 0.00 -4.36 -0.55 -0.02 121.20 114.35 2i2q s ILE 66 Ca -0.00 -0.78 0.01 0.00 -0.26 0.00 0.00 60.65 59.62 2i2q s ILE 66 Cb -0.00 -1.23 0.02 0.00 1.25 0.00 0.00 42.46 42.51 2i2q s ILE 66 CO -0.09 0.42 -0.03 -0.47 0.24 0.00 0.00 174.94 175.00 2i2q s TYR 67 N -0.31 0.60 -0.74 1.37 5.04 -0.57 -1.91 117.35 120.83 2i2q s TYR 67 Ca 0.04 -0.13 -0.23 0.00 -2.44 0.00 0.00 57.07 54.31 2i2q s TYR 67 Cb -0.08 -0.57 0.07 0.00 0.35 0.00 0.00 41.96 41.73 2i2q s TYR 67 CO 0.00 -0.16 1.10 0.34 -1.34 0.00 0.00 175.55 175.48 2i2q s ASP 68 N 0.91 6.25 -0.27 4.32 2.15 -0.08 -0.72 116.67 129.23 2i2q s ASP 68 Ca -0.11 -1.03 -0.20 0.00 0.43 0.00 0.00 52.55 51.63 2i2q s ASP 68 Cb -0.14 -2.46 -0.02 0.00 -0.30 0.00 0.00 42.92 40.00 2i2q s ASP 68 CO -0.00 -1.49 0.63 0.12 -0.17 0.00 0.00 175.17 174.25 2i2q s PHE 69 N 4.36 3.26 -0.12 -5.34 5.36 -0.07 -4.91 117.98 120.52 2i2q s PHE 69 Ca 0.28 0.76 -0.06 0.00 -0.96 0.00 0.00 56.93 56.96 2i2q s PHE 69 Cb -0.12 -2.88 -0.04 0.00 -0.34 0.00 0.00 43.02 39.64 2i2q s PHE 69 CO 0.07 -0.36 0.09 -1.21 -1.46 0.00 0.00 175.22 172.35 2i2q s GLU 70 N 2.53 3.39 0.17 10.12 2.02 -1.26 -0.22 118.70 135.45 2i2q s GLU 70 Ca 0.26 -0.23 -0.11 0.00 0.02 0.00 0.00 54.97 54.91 2i2q s GLU 70 Cb -0.15 -3.09 -0.00 0.00 0.10 0.00 0.00 34.13 30.99 2i2q s GLU 70 CO 0.09 0.69 0.34 -0.59 0.02 0.00 0.00 175.26 175.81 2i2q s PHE 71 N -0.79 0.28 -0.24 1.61 -0.12 0.48 -4.97 117.98 114.22 2i2q s PHE 71 Ca 0.13 -0.64 -0.01 0.00 -0.05 0.00 0.00 56.93 56.36 2i2q s PHE 71 Cb -0.12 0.05 0.07 0.00 -0.63 0.00 0.00 43.02 42.39 2i2q s PHE 71 CO 0.03 -0.77 0.03 1.21 -0.05 0.00 0.00 175.22 175.67 2i2q s ASN 72 N -2.95 3.50 0.01 1.98 3.04 -1.26 -1.19 114.94 118.07 2i2q s ASN 72 Ca 0.15 -1.16 0.22 0.00 0.04 0.00 0.00 52.86 52.11 2i2q s ASN 72 Cb 0.02 -0.84 -0.04 0.00 -1.54 0.00 0.00 41.25 38.86 2i2q s ASN 72 CO -0.01 -0.32 0.99 0.18 -3.04 0.00 0.00 177.10 174.90 2i2q n LEU 73 N 4.88 0.73 0.00 3.21 4.77 -1.26 -4.98 117.00 124.35 2i2q n LEU 73 Ca -0.08 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 2i2q n LEU 73 Cb 0.45 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2i2q n LEU 73 CO 0.14 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 2i2q n GLY 74 N 1.45 1.69 1.31 -0.72 0.00 -1.26 -4.98 105.19 102.68 2i2q n GLY 74 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 2i2q n GLY 74 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2i2q n GLU 75 N 0.00 3.01 0.00 1.61 0.00 -1.26 -4.98 120.64 119.02 2i2q n GLU 75 Ca 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 57.16 54.81 2i2q n GLU 75 Cb 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 31.44 29.75 2i2q n GLU 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2i2q n GLY 76 N 1.18 3.97 3.64 -1.84 0.00 -1.26 -5.04 105.19 105.84 2i2q n GLY 76 Ca 0.21 -1.26 -0.52 0.00 0.00 0.00 0.00 46.02 44.46 2i2q n GLY 76 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2i2q n VAL 77 N -0.17 0.11 -4.50 1.61 3.14 -1.26 -4.69 118.33 112.57 2i2q n VAL 77 Ca 0.00 -0.02 -0.24 0.00 -2.96 0.00 0.00 64.34 61.12 2i2q n VAL 77 Cb 0.00 -1.11 -0.10 0.00 -1.06 0.00 0.00 33.84 31.57 2i2q n VAL 77 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2i2q s ARG 78 N 1.45 1.77 0.00 1.45 0.52 -0.33 -4.98 118.95 118.84 2i2q s ARG 78 Ca 0.87 -2.02 -0.11 0.00 -0.52 0.00 0.00 55.73 53.95 2i2q s ARG 78 Cb -0.91 -0.95 0.01 0.00 0.52 0.00 0.00 34.95 33.62 2i2q s ARG 78 CO 0.49 -0.24 0.23 0.54 0.02 0.00 0.00 175.30 176.34 2i2q s ASN 79 N -3.56 -0.08 -0.02 0.23 2.20 -1.26 -0.39 114.94 112.07 2i2q s ASN 79 Ca 0.32 -0.09 0.01 0.00 -0.94 0.00 0.00 52.86 52.16 2i2q s ASN 79 Cb 0.07 0.27 0.01 0.00 -2.00 0.00 0.00 41.25 39.60 2i2q s ASN 79 CO 0.15 -0.43 -0.04 -0.54 -2.94 0.00 0.00 177.10 173.29 2i2q s LYS 80 N -1.51 0.48 -0.20 3.55 1.02 0.69 -4.96 119.74 118.80 2i2q s LYS 80 Ca -0.13 -0.12 -0.27 0.00 0.02 0.00 0.00 55.97 55.47 2i2q s LYS 80 Cb -0.06 -0.51 -0.00 0.00 -0.52 0.00 0.00 37.83 36.74 2i2q s LYS 80 CO 0.02 0.03 0.93 0.42 -0.92 0.00 0.00 175.35 175.82 2i2q s ILE 81 N 0.30 4.79 -0.20 2.17 1.01 -1.26 -0.90 121.20 127.10 2i2q s ILE 81 Ca -0.03 1.80 -0.09 0.00 0.00 0.00 0.00 60.65 62.33 2i2q s ILE 81 Cb -0.07 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 2i2q s ILE 81 CO -0.00 -0.08 0.10 -0.63 0.00 0.00 0.00 174.94 174.33 2i2q s ILE 82 N 2.71 5.03 -0.24 2.92 -1.09 0.10 -0.04 121.20 130.59 2i2q s ILE 82 Ca 0.40 0.06 -0.13 0.00 -2.23 0.00 0.00 60.65 58.75 2i2q s ILE 82 Cb -0.16 -3.30 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 2i2q s ILE 82 CO 0.09 0.42 0.29 0.12 -1.23 0.00 0.00 174.94 174.63 2i2q s PHE 83 N 0.62 3.30 -0.11 3.97 5.36 0.26 -1.51 117.98 129.87 2i2q s PHE 83 Ca 0.05 0.36 0.03 0.00 -0.96 0.00 0.00 56.93 56.41 2i2q s PHE 83 Cb -0.13 -2.44 -0.00 0.00 -0.34 0.00 0.00 43.02 40.11 2i2q s PHE 83 CO 0.01 -0.07 -0.20 0.42 -1.46 0.00 0.00 175.22 173.92 2i2q s ILE 84 N 1.52 2.40 -0.34 3.12 1.01 0.97 -0.32 121.20 129.55 2i2q s ILE 84 Ca 0.12 -0.90 -0.11 0.00 0.00 0.00 0.00 60.65 59.77 2i2q s ILE 84 Cb -0.15 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.37 2i2q s ILE 84 CO 0.08 0.55 0.20 -0.44 0.00 0.00 0.00 174.94 175.32 2i2q s SER 85 N 0.35 5.74 -0.41 3.58 0.01 0.32 -0.93 113.70 122.37 2i2q s SER 85 Ca -0.16 -0.68 -0.13 0.00 1.31 0.00 0.00 55.95 56.30 2i2q s SER 85 Cb -0.17 -2.05 0.04 0.00 0.21 0.00 0.00 66.02 64.05 2i2q s SER 85 CO 0.08 -0.28 0.27 0.86 0.41 0.00 0.00 173.24 174.58 2i2q s TRP 86 N 1.62 3.25 -0.41 2.43 -0.11 0.73 -0.76 118.94 125.69 2i2q s TRP 86 Ca 0.04 -0.92 0.02 0.00 1.22 0.00 0.00 56.10 56.46 2i2q s TRP 86 Cb -0.18 -2.67 0.15 0.00 -1.50 0.00 0.00 33.47 29.27 2i2q s TRP 86 CO 0.07 -0.68 0.26 -1.12 -4.62 0.00 0.00 176.95 170.87 2i2q s SER 87 N 1.83 2.99 0.41 5.86 0.01 -0.67 -0.55 113.70 123.57 2i2q s SER 87 Ca 0.03 -2.61 -0.25 0.00 1.31 0.00 0.00 55.95 54.43 2i2q s SER 87 Cb -0.20 -0.69 -0.10 0.00 0.21 0.00 0.00 66.02 65.23 2i2q s SER 87 CO 0.07 -0.25 1.17 -2.65 0.41 0.00 0.00 173.24 171.99 2i2q n PRO 88 N 3.51 1.71 -0.11 12.44 -0.02 -1.26 -4.24 135.00 147.04 2i2q n PRO 88 Ca 0.15 0.61 0.08 0.00 -2.02 0.00 0.00 63.50 62.32 2i2q n PRO 88 Cb 0.38 -2.23 0.43 0.00 -0.02 0.00 0.00 33.50 32.06 2i2q n PRO 88 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2i2q h ASP 89 N 1.93 0.50 1.03 2.55 1.82 -1.39 -1.86 116.42 121.00 2i2q h ASP 89 Ca -0.46 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 2i2q h ASP 89 Cb 1.31 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.22 2i2q h ASP 89 CO 0.59 0.32 0.00 0.55 -1.61 0.00 0.00 179.24 179.09 2i2q n VAL 90 N -4.48 0.17 -1.94 2.25 3.14 -1.26 -4.87 118.33 111.35 2i2q n VAL 90 Ca 0.09 -0.02 -0.37 0.00 -2.96 0.00 0.00 64.34 61.08 2i2q n VAL 90 Cb 0.26 -0.56 0.03 0.00 -1.06 0.00 0.00 33.84 32.51 2i2q n VAL 90 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2i2q s ALA 91 N -3.02 2.69 0.37 1.55 0.00 -0.70 -4.92 121.76 117.72 2i2q s ALA 91 Ca 0.13 1.14 -0.27 0.00 0.00 0.00 0.00 51.96 52.96 2i2q s ALA 91 Cb 0.17 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.68 2i2q s ALA 91 CO 0.52 -1.21 1.25 -2.30 0.00 0.00 0.00 175.76 174.01 2i2q n PRO 92 N -1.25 1.97 -0.22 0.00 -0.02 -1.26 -4.80 135.00 129.42 2i2q n PRO 92 Ca 0.12 0.69 0.07 0.00 -2.02 0.00 0.00 63.50 62.36 2i2q n PRO 92 Cb 0.47 -2.30 0.34 0.00 -0.02 0.00 0.00 33.50 32.00 2i2q n PRO 92 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2i2q h ILE 93 N 2.30 1.00 -0.63 4.25 6.09 -1.94 -1.27 117.51 127.30 2i2q h ILE 93 Ca -0.46 -0.27 0.02 0.00 -1.37 0.00 0.00 64.86 62.78 2i2q h ILE 93 Cb 1.29 0.14 -0.04 0.00 0.47 0.00 0.00 36.82 38.69 2i2q h ILE 93 CO 0.61 0.14 0.40 0.50 -3.07 0.00 0.00 178.15 176.73 2i2q h LYS 94 N 0.79 0.77 -0.28 2.19 3.64 -1.99 -0.98 116.57 120.70 2i2q h LYS 94 Ca 0.35 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.63 2i2q h LYS 94 Cb 0.33 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2i2q h LYS 94 CO -0.13 0.51 -0.02 1.03 -2.27 0.00 0.00 179.45 178.57 2i2q h SER 95 N 0.79 0.51 -0.91 4.20 0.87 -1.62 -0.83 113.55 116.56 2i2q h SER 95 Ca 0.25 -0.33 0.07 0.00 -1.23 0.00 0.00 61.79 60.55 2i2q h SER 95 Cb -0.01 -0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 61.74 2i2q h SER 95 CO -0.09 0.71 0.57 0.11 -0.53 0.00 0.00 176.83 177.60 2i2q h LYS 96 N 0.29 0.98 -0.09 2.24 1.57 -1.02 0.22 116.57 120.77 2i2q h LYS 96 Ca 0.08 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2i2q h LYS 96 Cb 0.46 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 2i2q h LYS 96 CO 0.02 0.65 0.01 0.52 -0.57 0.00 0.00 179.45 180.08 2i2q h MET 97 N 1.01 0.15 -0.17 3.15 2.86 -0.96 -0.21 114.93 120.75 2i2q h MET 97 Ca 0.41 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 58.01 2i2q h MET 97 Cb 0.22 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2i2q h MET 97 CO -0.19 0.38 0.09 0.28 1.06 0.00 0.00 176.91 178.53 2i2q h VAL 98 N -0.11 1.01 -0.65 -2.22 2.07 -0.64 -0.10 116.25 115.62 2i2q h VAL 98 Ca 0.03 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 2i2q h VAL 98 Cb 0.31 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2i2q h VAL 98 CO 0.00 0.04 0.11 1.88 0.02 0.00 0.00 177.57 179.62 2i2q h TYR 99 N 0.20 1.11 -0.44 1.57 -1.99 -0.95 -1.17 116.97 115.29 2i2q h TYR 99 Ca 0.07 -0.14 -0.01 0.00 2.00 0.00 0.00 58.73 60.64 2i2q h TYR 99 Cb 0.00 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 38.40 2i2q h TYR 99 CO -0.08 0.93 0.23 1.03 -0.00 0.00 0.00 178.16 180.27 2i2q h SER 100 N 0.99 0.57 0.49 3.88 0.87 -0.74 -0.96 113.55 118.65 2i2q h SER 100 Ca 0.20 -0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 2i2q h SER 100 Cb 0.42 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 2i2q h SER 100 CO 0.01 0.52 -0.28 0.28 -0.53 0.00 0.00 176.83 176.83 2i2q h SER 101 N 0.58 0.00 0.10 6.23 0.02 -0.75 -3.13 113.55 116.59 2i2q h SER 101 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2i2q h SER 101 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2i2q h SER 101 CO -0.02 0.28 -0.72 -1.20 -1.14 0.00 0.00 176.83 174.03 2i2q n SER 102 N -3.81 1.19 -0.05 3.07 7.64 -0.47 -4.58 113.62 116.62 2i2q n SER 102 Ca -0.01 -1.01 -0.08 0.00 1.01 0.00 0.00 58.87 58.78 2i2q n SER 102 Cb 0.37 0.67 -0.03 0.00 -1.01 0.00 0.00 64.21 64.21 2i2q n SER 102 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2i2q h LYS 103 N 0.75 -0.00 -0.54 1.43 3.64 -1.12 -2.48 116.57 118.25 2i2q h LYS 103 Ca 0.00 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 2i2q h LYS 103 Cb 0.57 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 2i2q h LYS 103 CO 0.00 -0.00 0.36 -0.44 -2.27 0.00 0.00 179.45 177.10 2i2q h ASP 104 N -0.00 0.34 -0.53 4.20 3.32 -1.81 -0.45 116.42 121.49 2i2q h ASP 104 Ca 0.10 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.21 2i2q h ASP 104 Cb 0.16 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 2i2q h ASP 104 CO -0.22 0.21 0.27 0.74 -1.72 0.00 0.00 179.24 178.52 2i2q h THR 105 N 0.38 0.95 -0.02 0.35 2.02 -1.74 -0.23 112.91 114.62 2i2q h THR 105 Ca 0.24 -0.18 -0.10 0.00 0.77 0.00 0.00 66.41 67.15 2i2q h THR 105 Cb 0.46 0.39 0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2i2q h THR 105 CO -0.06 0.09 -0.37 0.25 0.37 0.00 0.00 175.52 175.80 2i2q h LEU 106 N 0.51 0.36 -0.67 2.58 5.85 -1.32 -3.25 115.31 119.37 2i2q h LEU 106 Ca 0.24 -0.74 0.09 0.00 0.84 0.00 0.00 57.88 58.31 2i2q h LEU 106 Cb 0.15 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 2i2q h LEU 106 CO -0.17 1.04 0.32 -0.09 -0.34 0.00 0.00 178.44 179.20 2i2q h ARG 107 N -0.30 0.53 0.00 1.25 9.65 -0.92 -0.88 114.38 123.72 2i2q h ARG 107 Ca -0.04 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2i2q h ARG 107 Cb 1.09 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.55 2i2q h ARG 107 CO 0.07 0.35 0.00 2.89 2.80 0.00 0.00 179.97 186.09 2i2q n ARG 108 N -4.90 0.14 0.18 0.20 1.85 -0.11 -2.37 116.66 111.64 2i2q n ARG 108 Ca 0.10 0.33 0.09 0.00 -1.00 0.00 0.00 57.85 57.37 2i2q n ARG 108 Cb 0.27 -1.74 0.10 0.00 -1.05 0.00 0.00 32.46 30.03 2i2q n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2i2q h ALA 109 N 2.40 0.84 -3.27 2.89 0.00 -1.19 -3.45 119.26 117.49 2i2q h ALA 109 Ca 0.00 -0.14 -0.62 0.00 0.00 0.00 0.00 54.91 54.15 2i2q h ALA 109 Cb 0.38 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.00 2i2q h ALA 109 CO 0.00 0.18 -0.58 -0.06 0.00 0.00 0.00 179.25 178.79 2i2q s PHE 110 N -3.16 3.22 0.23 0.00 0.08 -1.00 -5.07 117.98 112.27 2i2q s PHE 110 Ca 0.05 0.03 0.08 0.00 0.12 0.00 0.00 56.93 57.21 2i2q s PHE 110 Cb 0.06 -2.04 -0.04 0.00 -0.57 0.00 0.00 43.02 40.44 2i2q s PHE 110 CO 0.71 0.16 0.06 0.95 -0.10 0.00 0.00 175.22 176.99 2i2q s THR 111 N 0.26 3.83 0.00 0.64 -4.23 -1.26 -4.64 115.64 110.24 2i2q s THR 111 Ca 0.03 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 2i2q s THR 111 Cb -0.13 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.70 2i2q s THR 111 CO 0.01 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 2i2q n GLY 112 N -0.72 0.67 3.71 3.99 0.00 -1.26 -5.02 105.19 106.55 2i2q n GLY 112 Ca -0.08 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 2i2q n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i2q s ILE 113 N -2.00 3.42 -0.12 -0.61 -1.09 -1.26 -4.55 121.20 114.99 2i2q s ILE 113 Ca 0.00 0.97 0.17 0.00 -2.23 0.00 0.00 60.65 59.57 2i2q s ILE 113 Cb 0.00 -3.62 -0.18 0.00 -1.58 0.00 0.00 42.46 37.08 2i2q s ILE 113 CO 0.00 0.05 0.66 0.61 -1.23 0.00 0.00 174.94 175.04 2i2q n GLY 114 N 3.54 -1.14 3.38 6.18 0.00 0.94 -4.94 105.19 113.16 2i2q n GLY 114 Ca 0.12 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 2i2q n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i2q s THR 115 N -2.91 -0.00 -0.16 2.61 2.01 -1.06 -4.94 115.64 111.18 2i2q s THR 115 Ca -0.05 0.01 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 2i2q s THR 115 Cb 0.09 -0.68 -0.03 0.00 0.01 0.00 0.00 72.50 71.89 2i2q s THR 115 CO 0.83 0.00 -0.01 -1.81 -0.69 0.00 0.00 174.62 172.93 2i2q s ASP 116 N 0.44 5.00 -0.05 3.53 1.11 -1.26 -0.57 116.67 124.86 2i2q s ASP 116 Ca -0.01 -0.07 0.03 0.00 0.18 0.00 0.00 52.55 52.68 2i2q s ASP 116 Cb -0.04 -1.80 0.00 0.00 1.07 0.00 0.00 42.92 42.15 2i2q s ASP 116 CO -0.02 0.18 -0.14 -0.63 1.18 0.00 0.00 175.17 175.74 2i2q s ILE 117 N 0.29 1.23 -0.20 0.77 -1.09 0.56 -4.95 121.20 117.80 2i2q s ILE 117 Ca -0.02 -0.58 -0.02 0.00 -2.23 0.00 0.00 60.65 57.80 2i2q s ILE 117 Cb -0.14 -1.08 0.00 0.00 -1.58 0.00 0.00 42.46 39.67 2i2q s ILE 117 CO 0.02 0.37 -0.10 -1.58 -1.23 0.00 0.00 174.94 172.42 2i2q s GLN 118 N 0.27 3.23 -0.16 2.79 2.00 -1.26 -0.52 119.66 126.01 2i2q s GLN 118 Ca -0.07 -0.70 0.01 0.00 -2.00 0.00 0.00 55.36 52.60 2i2q s GLN 118 Cb -0.12 -2.84 0.01 0.00 0.80 0.00 0.00 33.01 30.86 2i2q s GLN 118 CO 0.02 -0.20 -0.20 0.00 -0.50 0.00 0.00 175.29 174.42 2i2q s ALA 119 N 1.39 2.32 -0.34 1.58 0.00 0.06 -4.96 121.76 121.82 2i2q s ALA 119 Ca 0.05 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.88 2i2q s ALA 119 Cb -0.14 -1.12 0.09 0.00 0.00 0.00 0.00 23.12 21.95 2i2q s ALA 119 CO -0.07 -0.18 0.06 0.99 0.00 0.00 0.00 175.76 176.56 2i2q s THR 120 N 1.04 2.61 0.16 0.00 2.01 -1.26 -1.67 115.64 118.53 2i2q s THR 120 Ca -0.01 -2.03 -0.15 0.00 0.31 0.00 0.00 61.69 59.81 2i2q s THR 120 Cb -0.14 -2.77 -0.07 0.00 0.01 0.00 0.00 72.50 69.53 2i2q s THR 120 CO -0.07 -0.46 0.57 -0.62 -0.69 0.00 0.00 174.62 173.35 2i2q s ASP 121 N 1.21 6.85 0.17 3.53 2.15 -1.26 -4.81 116.67 124.51 2i2q s ASP 121 Ca 0.05 1.12 0.08 0.00 0.43 0.00 0.00 52.55 54.23 2i2q s ASP 121 Cb -0.20 -2.30 -0.04 0.00 -0.30 0.00 0.00 42.92 40.07 2i2q s ASP 121 CO -0.06 0.09 -0.03 -0.36 -0.17 0.00 0.00 175.17 174.64 2i2q s PHE 122 N -1.49 2.79 -2.00 -5.34 0.40 -1.26 -1.03 117.98 110.06 2i2q s PHE 122 Ca 0.39 -0.16 0.11 0.00 -0.60 0.00 0.00 56.93 56.67 2i2q s PHE 122 Cb -0.15 -1.36 0.65 0.00 0.51 0.00 0.00 43.02 42.67 2i2q s PHE 122 CO 0.19 0.51 1.09 0.43 0.70 0.00 0.00 175.22 178.15