#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1q h ARG 2 N 0.00 0.00 0.00 -0.52 2.43 -2.06 -3.44 114.38 110.79 3i1q h ARG 2 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i1q h ARG 2 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3i1q h ARG 2 CO 0.00 0.00 0.00 2.89 -1.51 0.00 0.00 179.97 181.35 3i1q n ARG 3 N -2.48 0.00 -0.58 0.20 1.85 -1.26 -5.02 116.66 109.37 3i1q n ARG 3 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.55 3i1q n ARG 3 Cb 0.16 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.49 3i1q n ARG 3 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3i1q n ARG 4 N -0.46 0.00 -1.69 2.89 3.00 -1.26 -4.87 116.66 114.27 3i1q n ARG 4 Ca 0.00 -0.71 -0.43 0.00 -0.00 0.00 0.00 57.85 56.70 3i1q n ARG 4 Cb 0.00 -2.09 -0.02 0.00 0.00 0.00 0.00 32.46 30.36 3i1q n ARG 4 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3i1q n VAL 5 N 5.96 1.47 -3.77 5.15 0.24 -1.26 -3.81 118.33 122.30 3i1q n VAL 5 Ca 0.32 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 3i1q n VAL 5 Cb 0.34 -1.58 0.00 0.00 -1.47 0.00 0.00 33.84 31.13 3i1q n VAL 5 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3i1q n ILE 6 N 1.17 0.00 0.00 1.34 -5.35 -1.26 -4.94 119.36 110.32 3i1q n ILE 6 Ca 0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.56 3i1q n ILE 6 Cb 0.34 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 3i1q n ILE 6 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i1q n GLY 7 N 4.25 0.84 3.58 3.28 0.00 -1.26 -5.06 105.19 110.81 3i1q n GLY 7 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 3i1q n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3i1q s GLN 8 N 0.36 0.50 -0.05 1.61 0.00 -1.26 -5.15 119.66 115.68 3i1q s GLN 8 Ca 0.00 -0.00 -0.26 0.00 -0.00 0.00 0.00 55.36 55.10 3i1q s GLN 8 Cb 0.00 0.24 -0.03 0.00 0.00 0.00 0.00 33.01 33.21 3i1q s GLN 8 CO 0.00 -0.18 0.80 -0.98 0.00 0.00 0.00 175.29 174.93 3i1q s ARG 9 N -1.70 4.47 0.38 9.60 1.70 -1.26 -5.05 118.95 127.09 3i1q s ARG 9 Ca 0.03 1.07 -0.17 0.00 -0.47 0.00 0.00 55.73 56.20 3i1q s ARG 9 Cb -0.01 -3.46 -0.09 0.00 -0.57 0.00 0.00 34.95 30.82 3i1q s ARG 9 CO -0.03 -0.00 0.83 0.15 -1.08 0.00 0.00 175.30 175.17 3i1q s LYS 10 N 0.97 4.06 0.41 3.89 1.02 -1.26 -5.08 119.74 123.75 3i1q s LYS 10 Ca 0.42 0.83 0.06 0.00 0.02 0.00 0.00 55.97 57.30 3i1q s LYS 10 Cb -0.19 -2.32 -0.07 0.00 -0.52 0.00 0.00 37.83 34.73 3i1q s LYS 10 CO 0.21 0.05 0.02 0.96 -0.92 0.00 0.00 175.35 175.67 3i1q s ILE 11 N -2.12 1.81 1.28 2.17 -4.36 -1.26 -5.14 121.20 113.59 3i1q s ILE 11 Ca 0.57 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.77 3i1q s ILE 11 Cb -0.10 -2.90 0.32 0.00 1.25 0.00 0.00 42.46 41.03 3i1q s ILE 11 CO 0.18 0.00 1.01 -0.76 0.24 0.00 0.00 174.94 175.60 3i1q s LEU 12 N -3.70 -0.06 0.45 0.37 2.01 -1.26 -5.02 118.68 111.48 3i1q s LEU 12 Ca 0.33 0.95 -0.04 0.00 0.01 0.00 0.00 54.13 55.38 3i1q s LEU 12 Cb 0.09 -2.60 -0.03 0.00 0.01 0.00 0.00 46.19 43.66 3i1q s LEU 12 CO 0.16 -4.66 0.73 -2.16 1.01 0.00 0.00 176.35 171.44 3i1q s PRO 13 N -5.03 3.48 0.02 1.29 0.04 -1.26 -4.74 135.00 128.80 3i1q s PRO 13 Ca 0.69 0.03 -0.30 0.00 0.04 0.00 0.00 61.00 61.46 3i1q s PRO 13 Cb -0.15 -2.45 -0.08 0.00 0.04 0.00 0.00 34.50 31.86 3i1q s PRO 13 CO 0.59 -0.15 1.92 0.34 0.04 0.00 0.00 177.00 179.74 3i1q s ASP 14 N -4.10 6.48 0.00 6.66 3.68 0.67 -4.81 116.67 125.25 3i1q s ASP 14 Ca 0.46 2.61 -0.02 0.00 2.13 0.00 0.00 52.55 57.74 3i1q s ASP 14 Cb -0.10 -2.53 -0.07 0.00 -1.45 0.00 0.00 42.92 38.77 3i1q s ASP 14 CO 0.42 -1.04 1.31 -0.81 0.13 0.00 0.00 175.17 175.19 3i1q n PRO 15 N 7.46 0.56 0.00 4.34 -0.04 -1.26 0.06 135.00 146.12 3i1q n PRO 15 Ca 0.19 -0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3i1q n PRO 15 Cb 0.41 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 3i1q n PRO 15 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3i1q n LYS 16 N 2.65 0.00 -0.00 0.54 4.81 -1.26 -4.97 118.16 119.93 3i1q n LYS 16 Ca 0.11 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.57 3i1q n LYS 16 Cb 0.26 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.27 3i1q n LYS 16 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3i1q n PHE 17 N 0.00 0.00 0.00 5.64 3.01 -1.06 -5.04 117.46 120.01 3i1q n PHE 17 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3i1q n PHE 17 Cb 0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.36 3i1q n PHE 17 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i1q n GLY 18 N 2.14 2.23 3.48 1.37 0.00 0.11 -4.87 105.19 109.65 3i1q n GLY 18 Ca -0.01 -0.42 -0.53 0.00 0.00 0.00 0.00 46.02 45.06 3i1q n GLY 18 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i1q n SER 19 N 2.19 -0.14 0.10 1.61 2.88 -1.26 -0.23 113.62 118.76 3i1q n SER 19 Ca 0.00 1.15 -0.05 0.00 -1.33 0.00 0.00 58.87 58.64 3i1q n SER 19 Cb 0.00 -1.00 0.05 0.00 -0.75 0.00 0.00 64.21 62.51 3i1q n SER 19 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3i1q h GLU 20 N 2.37 0.07 0.00 -1.46 5.08 -1.95 -2.60 114.58 116.09 3i1q h GLU 20 Ca -0.41 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3i1q h GLU 20 Cb 1.41 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.68 3i1q h GLU 20 CO 0.63 0.82 -0.01 -0.07 -1.00 0.00 0.00 179.01 179.38 3i1q h LEU 21 N 0.04 0.00 0.00 1.33 3.38 -1.96 0.43 115.31 118.53 3i1q h LEU 21 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3i1q h LEU 21 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3i1q h LEU 21 CO 0.11 0.01 -1.35 -0.11 0.09 0.00 0.00 178.44 177.18 3i1q n LEU 22 N -3.12 0.50 0.03 1.67 0.00 -1.19 -3.78 117.00 111.12 3i1q n LEU 22 Ca -0.02 0.12 -0.13 0.00 0.00 0.00 0.00 56.01 55.99 3i1q n LEU 22 Cb 0.16 -0.05 -0.08 0.00 0.00 0.00 0.00 43.42 43.45 3i1q n LEU 22 CO 0.23 -0.06 0.73 0.00 0.00 0.00 0.00 177.39 178.29 3i1q h ALA 23 N 2.14 -0.06 -0.21 1.96 0.00 0.16 -2.50 119.26 120.76 3i1q h ALA 23 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3i1q h ALA 23 Cb 0.93 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3i1q h ALA 23 CO 0.00 -0.41 -0.17 0.87 0.00 0.00 0.00 179.25 179.54 3i1q h LYS 24 N -0.31 0.35 -0.11 0.00 1.57 -1.28 -2.96 116.57 113.84 3i1q h LYS 24 Ca -0.01 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.58 3i1q h LYS 24 Cb 0.28 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3i1q h LYS 24 CO 0.01 0.52 -0.33 0.35 -0.57 0.00 0.00 179.45 179.43 3i1q h PHE 25 N 0.33 0.24 0.00 -1.35 3.57 -1.62 0.16 116.94 118.27 3i1q h PHE 25 Ca 0.06 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3i1q h PHE 25 Cb 0.49 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.18 3i1q h PHE 25 CO 0.01 0.52 0.00 -0.39 -2.23 0.00 0.00 178.31 176.22 3i1q h VAL 26 N 0.19 0.00 0.07 1.41 -1.51 -1.29 -3.14 116.25 111.97 3i1q h VAL 26 Ca 0.02 -0.63 -0.12 0.00 -1.23 0.00 0.00 66.70 64.74 3i1q h VAL 26 Cb 0.67 1.61 0.01 0.00 -2.13 0.00 0.00 31.29 31.46 3i1q h VAL 26 CO 0.05 0.00 -0.53 0.78 -1.23 0.00 0.00 177.57 176.64 3i1q h ASN 27 N 0.00 0.34 -0.89 4.19 2.35 -0.89 -2.05 115.58 118.63 3i1q h ASN 27 Ca 0.00 -0.91 0.12 0.00 -0.55 0.00 0.00 56.30 54.96 3i1q h ASN 27 Cb 0.79 -0.11 -0.07 0.00 0.05 0.00 0.00 38.32 38.98 3i1q h ASN 27 CO 0.00 1.22 0.57 0.40 -1.65 0.00 0.00 177.43 177.98 3i1q h ILE 28 N -0.48 0.89 0.00 2.81 1.08 -1.23 -1.70 117.51 118.88 3i1q h ILE 28 Ca -0.09 -0.27 -0.11 0.00 -0.39 0.00 0.00 64.86 64.01 3i1q h ILE 28 Cb 1.37 0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 35.15 3i1q h ILE 28 CO 0.10 0.14 -0.52 0.25 -0.69 0.00 0.00 178.15 177.43 3i1q h LEU 29 N 0.78 0.00-10.12 1.44 6.46 -1.58 -3.46 115.31 108.83 3i1q h LEU 29 Ca 0.44 0.00 -0.56 0.00 -0.12 0.00 0.00 57.88 57.64 3i1q h LEU 29 Cb 0.59 0.00 0.16 0.00 -0.73 0.00 0.00 40.66 40.68 3i1q h LEU 29 CO -0.20 0.52 0.51 -0.32 -0.62 0.00 0.00 178.44 178.33 3i1q s MET 30 N -2.95 2.46 -0.03 1.25 1.75 -0.64 -4.99 119.30 116.15 3i1q s MET 30 Ca 0.04 2.05 -0.15 0.00 -1.25 0.00 0.00 55.69 56.38 3i1q s MET 30 Cb 0.08 -1.84 0.03 0.00 2.84 0.00 0.00 34.83 35.94 3i1q s MET 30 CO 0.75 -1.66 0.33 0.54 -0.65 0.00 0.00 175.02 174.32 3i1q s VAL 31 N -1.44 0.05 0.00 10.11 0.11 -1.26 -4.85 120.40 123.11 3i1q s VAL 31 Ca 0.82 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 59.49 3i1q s VAL 31 Cb -0.37 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 3i1q s VAL 31 CO 0.41 -0.21 0.00 0.47 -3.33 0.00 0.00 175.10 172.44 3i1q n ASP 32 N 1.54 0.00 0.00 3.54 8.00 -1.26 -1.62 116.55 126.75 3i1q n ASP 32 Ca -0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.30 3i1q n ASP 32 Cb 0.56 -2.23 0.00 0.00 -0.02 0.00 0.00 41.12 39.43 3i1q n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i1q n GLY 33 N -1.75 0.78 3.53 0.44 0.00 -1.26 -5.01 105.19 101.92 3i1q n GLY 33 Ca 0.00 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 3i1q n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1q s LYS 34 N -0.70 3.73 0.37 1.61 1.02 -0.64 -4.80 119.74 120.34 3i1q s LYS 34 Ca 0.00 -1.58 0.15 0.00 0.02 0.00 0.00 55.97 54.55 3i1q s LYS 34 Cb 0.00 -5.28 0.74 0.00 -0.52 0.00 0.00 37.83 32.77 3i1q s LYS 34 CO 0.00 -2.09 1.81 -0.22 -0.92 0.00 0.00 175.35 173.93 3i1q h LYS 35 N 8.85 0.00 0.10 1.68 3.64 -1.95 -2.10 116.57 126.79 3i1q h LYS 35 Ca 0.26 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3i1q h LYS 35 Cb 0.97 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3i1q h LYS 35 CO 1.35 0.38 -0.05 0.77 -2.27 0.00 0.00 179.45 179.63 3i1q h SER 36 N 0.00 -0.11 0.57 4.20 0.02 -2.00 -2.85 113.55 113.38 3i1q h SER 36 Ca -0.00 -0.44 -0.06 0.00 -0.84 0.00 0.00 61.79 60.45 3i1q h SER 36 Cb 0.71 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 3i1q h SER 36 CO 0.05 0.43 -0.26 0.71 -1.14 0.00 0.00 176.83 176.61 3i1q h THR 37 N -0.70 0.83 0.38 -2.27 1.35 -1.97 -2.67 112.91 107.87 3i1q h THR 37 Ca -0.01 -1.06 -0.02 0.00 -0.55 0.00 0.00 66.41 64.77 3i1q h THR 37 Cb 0.54 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 3i1q h THR 37 CO 0.02 0.26 -0.18 0.00 -0.25 0.00 0.00 175.52 175.37 3i1q h ALA 38 N 1.74 -0.51 -0.49 6.62 0.00 -1.40 -2.85 119.26 122.36 3i1q h ALA 38 Ca -0.00 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.85 3i1q h ALA 38 Cb 0.62 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3i1q h ALA 38 CO 0.03 -0.56 0.35 1.05 0.00 0.00 0.00 179.25 180.12 3i1q h GLU 39 N -0.97 0.10 -0.88 0.00 4.11 -1.52 0.06 114.58 115.47 3i1q h GLU 39 Ca -0.05 -0.01 0.07 0.00 0.07 0.00 0.00 59.36 59.44 3i1q h GLU 39 Cb 0.53 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.70 3i1q h GLU 39 CO 0.09 0.06 0.54 0.77 0.07 0.00 0.00 179.01 180.54 3i1q h SER 40 N 0.10 0.83 0.01 3.06 0.02 -1.28 -0.25 113.55 116.04 3i1q h SER 40 Ca 0.23 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3i1q h SER 40 Cb 0.80 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.19 3i1q h SER 40 CO -0.02 0.51 -0.01 0.40 -1.14 0.00 0.00 176.83 176.57 3i1q h ILE 41 N 0.96 1.47 -0.48 3.27 2.04 -0.81 -2.83 117.51 121.12 3i1q h ILE 41 Ca 0.39 -1.50 0.07 0.00 1.00 0.00 0.00 64.86 64.82 3i1q h ILE 41 Cb 0.23 2.47 -0.06 0.00 -0.74 0.00 0.00 36.82 38.72 3i1q h ILE 41 CO -0.19 0.38 0.15 0.58 0.00 0.00 0.00 178.15 179.07 3i1q h VAL 42 N -0.67 0.81 -0.04 1.67 2.07 -0.77 0.91 116.25 120.22 3i1q h VAL 42 Ca -0.00 -0.11 -0.15 0.00 0.82 0.00 0.00 66.70 67.26 3i1q h VAL 42 Cb 0.64 0.47 0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3i1q h VAL 42 CO 0.00 0.06 -0.56 1.88 0.02 0.00 0.00 177.57 178.97 3i1q h TYR 43 N 0.31 0.63 0.00 1.57 0.05 -1.19 0.37 116.97 118.72 3i1q h TYR 43 Ca 0.23 -0.32 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 3i1q h TYR 43 Cb 0.26 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 37.92 3i1q h TYR 43 CO -0.18 1.12 -0.05 1.03 -1.05 0.00 0.00 178.16 179.03 3i1q h SER 44 N -0.03 0.00 0.05 3.88 0.87 -1.34 0.39 113.55 117.37 3i1q h SER 44 Ca -0.06 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.29 3i1q h SER 44 Cb 1.24 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.19 3i1q h SER 44 CO 0.11 0.05 -1.12 0.00 -0.53 0.00 0.00 176.83 175.34 3i1q h ALA 45 N 1.95 0.20 0.00 6.23 0.00 -0.70 -3.25 119.26 123.68 3i1q h ALA 45 Ca -0.00 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.86 3i1q h ALA 45 Cb 0.32 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3i1q h ALA 45 CO 0.01 0.65 0.00 1.25 0.00 0.00 0.00 179.25 181.16 3i1q h LEU 46 N -0.71 0.00 0.66 0.00 5.85 -0.79 -2.98 115.31 117.34 3i1q h LEU 46 Ca -0.28 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 3i1q h LEU 46 Cb 1.44 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.48 3i1q h LEU 46 CO -0.07 0.00 -0.32 -0.08 -0.34 0.00 0.00 178.44 177.64 3i1q h GLU 47 N 0.00 -0.85 0.00 1.25 4.57 -0.32 -2.55 114.58 116.68 3i1q h GLU 47 Ca 0.00 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3i1q h GLU 47 Cb 0.47 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 3i1q h GLU 47 CO 0.00 -0.53 0.00 0.25 -1.18 0.00 0.00 179.01 177.55 3i1q n THR 48 N -5.39 0.00 -0.01 0.32 -2.24 -1.20 -2.05 114.28 103.71 3i1q n THR 48 Ca -0.12 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.44 3i1q n THR 48 Cb 0.37 -0.19 -0.14 0.00 -2.10 0.00 0.00 70.33 68.28 3i1q n THR 48 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3i1q n LEU 49 N -0.59 2.56 0.13 3.22 -0.00 -1.07 -3.42 117.00 117.83 3i1q n LEU 49 Ca 0.03 0.23 0.13 0.00 -0.00 0.00 0.00 56.01 56.40 3i1q n LEU 49 Cb 0.02 -1.10 0.40 0.00 -0.00 0.00 0.00 43.42 42.73 3i1q n LEU 49 CO 0.03 0.79 0.88 0.00 -0.00 0.00 0.00 177.39 179.09 3i1q h ALA 50 N 0.00 1.00 0.00 1.96 0.00 -1.00 -1.56 119.26 119.66 3i1q h ALA 50 Ca -0.42 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 3i1q h ALA 50 Cb 1.95 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 3i1q h ALA 50 CO 0.05 0.00 -1.62 0.94 0.00 0.00 0.00 179.25 178.62 3i1q n GLN 51 N -2.40 0.64 -0.06 0.00 0.00 -1.04 -2.79 117.38 111.74 3i1q n GLN 51 Ca 0.05 -0.05 -0.20 0.00 -0.00 0.00 0.00 57.00 56.80 3i1q n GLN 51 Cb 0.41 -1.65 -0.13 0.00 0.00 0.00 0.00 30.24 28.87 3i1q n GLN 51 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 3i1q n ARG 52 N -2.48 0.71 0.09 3.69 0.63 -1.18 -4.48 116.66 113.64 3i1q n ARG 52 Ca -0.04 0.23 -0.23 0.00 -0.92 0.00 0.00 57.85 56.88 3i1q n ARG 52 Cb 0.61 -1.63 -0.15 0.00 0.45 0.00 0.00 32.46 31.74 3i1q n ARG 52 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3i1q h SER 53 N -0.02 0.68 0.00 6.15 4.64 -1.49 -3.48 113.55 120.03 3i1q h SER 53 Ca -0.49 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 59.90 3i1q h SER 53 Cb 1.95 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 3i1q h SER 53 CO -0.01 1.75 0.00 0.61 -0.87 0.00 0.00 176.83 178.31 3i1q n GLY 54 N 1.81 3.11 3.00 -0.77 0.00 -1.12 -4.91 105.19 106.30 3i1q n GLY 54 Ca -0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 3i1q n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1q n LYS 55 N -2.00 1.02 0.00 1.61 4.76 -1.26 -4.84 118.16 117.45 3i1q n LYS 55 Ca 0.00 -1.23 0.00 0.00 -2.87 0.00 0.00 58.31 54.21 3i1q n LYS 55 Cb 0.00 -2.47 0.00 0.00 -1.84 0.00 0.00 35.03 30.72 3i1q n LYS 55 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3i1q n SER 56 N 6.15 0.00 0.00 4.39 2.88 -1.26 -3.82 113.62 121.96 3i1q n SER 56 Ca 0.35 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 3i1q n SER 56 Cb 0.22 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 3i1q n SER 56 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3i1q n GLU 57 N 14.00 0.00 0.39 -1.46 4.07 -1.26 -4.55 120.64 131.84 3i1q n GLU 57 Ca 0.00 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.94 3i1q n GLU 57 Cb 0.00 -0.11 -0.07 0.00 -0.06 0.00 0.00 31.44 31.20 3i1q n GLU 57 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3i1q h LEU 58 N 0.00 -0.86 0.00 4.31 3.38 -2.00 -3.31 115.31 116.83 3i1q h LEU 58 Ca 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3i1q h LEU 58 Cb 0.00 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3i1q h LEU 58 CO 0.00 -0.57 -0.27 1.05 0.09 0.00 0.00 178.44 178.74 3i1q h GLU 59 N -1.10 0.00 -0.96 1.13 4.11 -1.93 -3.31 114.58 112.51 3i1q h GLU 59 Ca -0.10 0.00 0.24 0.00 0.07 0.00 0.00 59.36 59.57 3i1q h GLU 59 Cb 0.78 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.90 3i1q h GLU 59 CO 0.17 0.07 0.52 0.00 0.07 0.00 0.00 179.01 179.84 3i1q h ALA 60 N 1.92 1.68 0.50 1.06 0.00 -1.66 1.71 119.26 124.47 3i1q h ALA 60 Ca -0.01 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3i1q h ALA 60 Cb 1.07 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3i1q h ALA 60 CO 0.01 -0.33 -0.24 0.35 0.00 0.00 0.00 179.25 179.04 3i1q h PHE 61 N 0.49 -0.62 -1.18 0.00 3.04 -1.70 -3.09 116.94 113.87 3i1q h PHE 61 Ca 0.62 -0.01 0.34 0.00 3.98 0.00 0.00 57.97 62.90 3i1q h PHE 61 Cb 1.21 0.21 -0.09 0.00 2.56 0.00 0.00 35.95 39.83 3i1q h PHE 61 CO -0.06 -0.39 0.78 1.49 -2.02 0.00 0.00 178.31 178.12 3i1q h GLU 62 N -0.68 0.21 0.74 1.11 4.22 0.28 0.88 114.58 121.33 3i1q h GLU 62 Ca -0.07 -0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.32 3i1q h GLU 62 Cb 0.52 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.73 3i1q h GLU 62 CO 0.11 0.14 -0.35 0.28 -2.18 0.00 0.00 179.01 177.01 3i1q h VAL 63 N 0.21 0.00 0.00 0.32 2.07 0.21 -1.34 116.25 117.73 3i1q h VAL 63 Ca 0.67 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.92 3i1q h VAL 63 Cb 2.05 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3i1q h VAL 63 CO -0.27 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.32 3i1q h ALA 64 N -1.28 1.00 0.01 1.67 0.00 -1.15 -2.93 119.26 116.58 3i1q h ALA 64 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3i1q h ALA 64 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3i1q h ALA 64 CO 0.17 0.00 -0.00 1.25 0.00 0.00 0.00 179.25 180.66 3i1q h LEU 65 N 0.00 -0.01 -0.18 0.00 5.85 -0.65 -3.29 115.31 117.03 3i1q h LEU 65 Ca 0.00 -0.84 0.00 0.00 0.84 0.00 0.00 57.88 57.88 3i1q h LEU 65 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3i1q h LEU 65 CO 0.00 0.88 0.00 1.21 -0.34 0.00 0.00 178.44 180.19 3i1q n GLU 66 N -4.66 0.58 -0.06 1.25 2.13 -0.53 -1.72 120.64 117.64 3i1q n GLU 66 Ca -0.09 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.70 3i1q n GLU 66 Cb 0.41 -1.05 -0.14 0.00 0.27 0.00 0.00 31.44 30.93 3i1q n GLU 66 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3i1q n ASN 67 N -0.38 0.71 -0.03 4.31 3.02 -1.23 -4.41 115.26 117.25 3i1q n ASN 67 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.50 3i1q n ASN 67 Cb 0.03 1.24 -0.13 0.00 -0.61 0.00 0.00 39.78 40.30 3i1q n ASN 67 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3i1q n VAL 68 N -2.48 1.27 -1.14 2.41 0.31 -0.70 -4.89 118.33 113.11 3i1q n VAL 68 Ca -0.20 -0.76 -0.47 0.00 -0.01 0.00 0.00 64.34 62.90 3i1q n VAL 68 Cb 0.87 -0.67 -0.08 0.00 -0.91 0.00 0.00 33.84 33.06 3i1q n VAL 68 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i1q n ARG 69 N -2.83 0.00 -0.64 5.55 3.00 -0.76 -4.65 116.66 116.33 3i1q n ARG 69 Ca -0.19 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.62 3i1q n ARG 69 Cb 0.98 -1.08 0.03 0.00 0.00 0.00 0.00 32.46 32.39 3i1q n ARG 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3i1q n PRO 70 N 3.71 0.18 0.00 -0.14 -0.04 -1.26 -5.02 135.00 132.42 3i1q n PRO 70 Ca 0.28 -0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 3i1q n PRO 70 Cb -0.04 -0.16 0.00 0.00 -0.04 0.00 0.00 33.50 33.27 3i1q n PRO 70 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3i1q n THR 71 N -1.93 0.00 -3.72 0.52 -1.04 -1.26 -4.96 114.28 101.89 3i1q n THR 71 Ca 0.03 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.92 3i1q n THR 71 Cb 0.09 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.49 3i1q n THR 71 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3i1q s VAL 72 N -1.00 -0.02 0.00 12.58 -7.23 -1.26 -2.24 120.40 121.23 3i1q s VAL 72 Ca 0.00 0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.24 3i1q s VAL 72 Cb 0.00 -0.53 0.00 0.00 0.56 0.00 0.00 36.38 36.41 3i1q s VAL 72 CO 0.00 0.03 0.00 -1.84 -0.31 0.00 0.00 175.10 172.98 3i1q n GLU 73 N 3.72 3.96 -3.89 4.82 0.28 -0.13 -4.15 120.64 125.25 3i1q n GLU 73 Ca -0.20 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.69 3i1q n GLU 73 Cb 0.56 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.30 3i1q n GLU 73 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 3i1q s VAL 74 N 1.64 0.03 -0.19 3.84 -7.23 -1.26 -1.16 120.40 116.07 3i1q s VAL 74 Ca 0.00 -0.25 -0.00 0.00 -1.81 0.00 0.00 61.98 59.92 3i1q s VAL 74 Cb 0.00 -0.11 0.01 0.00 0.56 0.00 0.00 36.38 36.84 3i1q s VAL 74 CO 0.00 -0.14 -0.16 -0.75 -0.31 0.00 0.00 175.10 173.75 3i1q s LYS 75 N -0.40 3.10 -0.13 4.82 2.20 0.20 -4.78 119.74 124.75 3i1q s LYS 75 Ca -0.04 -0.77 -0.29 0.00 -0.36 0.00 0.00 55.97 54.50 3i1q s LYS 75 Cb -0.03 -2.68 -0.04 0.00 -1.51 0.00 0.00 37.83 33.58 3i1q s LYS 75 CO -0.00 -0.18 1.54 -1.12 -0.36 0.00 0.00 175.35 175.22 3i1q s SER 76 N 1.29 6.67 -0.17 1.43 0.01 -1.26 -1.90 113.70 119.76 3i1q s SER 76 Ca 0.04 1.92 -0.12 0.00 1.31 0.00 0.00 55.95 59.10 3i1q s SER 76 Cb -0.14 -2.53 -0.22 0.00 0.21 0.00 0.00 66.02 63.34 3i1q s SER 76 CO -0.09 -0.97 0.23 0.54 0.41 0.00 0.00 173.24 173.36 3i1q n ARG 77 N 7.13 0.67 -3.24 12.44 5.12 -1.20 -4.94 116.66 132.64 3i1q n ARG 77 Ca 0.17 0.37 -0.14 0.00 -1.93 0.00 0.00 57.85 56.31 3i1q n ARG 77 Cb 0.44 -1.70 0.01 0.00 -1.16 0.00 0.00 32.46 30.06 3i1q n ARG 77 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3i1q n ARG 78 N -3.87 -1.28 0.00 5.56 5.12 0.31 -5.01 116.66 117.50 3i1q n ARG 78 Ca -0.34 1.27 0.00 0.00 -1.93 0.00 0.00 57.85 56.84 3i1q n ARG 78 Cb 0.90 -2.04 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 3i1q n ARG 78 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3i1q n VAL 79 N 0.62 0.00 -3.65 1.55 0.31 -0.52 -4.94 118.33 111.71 3i1q n VAL 79 Ca -0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.91 3i1q n VAL 79 Cb 0.52 -0.42 -0.10 0.00 -0.91 0.00 0.00 33.84 32.92 3i1q n VAL 79 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3i1q s GLY 80 N -0.02 1.96 -0.09 2.92 0.00 -1.26 -4.70 107.32 106.12 3i1q s GLY 80 Ca 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 44.72 42.54 3i1q s GLY 80 CO 0.00 0.96 0.00 0.61 0.00 0.00 0.00 173.10 174.67 3i1q n GLY 81 N 4.85 -0.25 3.43 0.20 0.00 -1.26 -4.83 105.19 107.34 3i1q n GLY 81 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 3i1q n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i1q s SER 82 N -1.61 -0.55 0.13 1.61 0.01 -1.26 -5.08 113.70 106.95 3i1q s SER 82 Ca 0.00 1.02 -0.19 0.00 1.31 0.00 0.00 55.95 58.10 3i1q s SER 82 Cb 0.00 1.04 -0.04 0.00 0.21 0.00 0.00 66.02 67.23 3i1q s SER 82 CO 0.00 -0.22 1.76 0.74 0.41 0.00 0.00 173.24 175.94 3i1q h THR 83 N 4.21 0.99 -7.10 1.44 2.02 -1.93 -1.37 112.91 111.16 3i1q h THR 83 Ca -0.28 -0.08 -0.62 0.00 0.77 0.00 0.00 66.41 66.20 3i1q h THR 83 Cb 1.17 0.73 -0.28 0.00 -1.74 0.00 0.00 68.15 68.03 3i1q h THR 83 CO 0.19 0.04 -0.93 -1.22 0.37 0.00 0.00 175.52 173.97 3i1q n TYR 84 N -4.99 -1.20 -2.28 3.16 4.01 -1.26 0.11 117.16 114.71 3i1q n TYR 84 Ca -0.02 0.64 -0.41 0.00 -0.16 0.00 0.00 57.90 57.94 3i1q n TYR 84 Cb 0.06 -2.36 -0.03 0.00 -0.31 0.00 0.00 39.34 36.70 3i1q n TYR 84 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 3i1q s GLN 85 N -7.26 3.18 0.53 -0.72 -2.07 -1.26 -4.06 119.66 108.00 3i1q s GLN 85 Ca 0.36 0.61 -0.19 0.00 -1.82 0.00 0.00 55.36 54.32 3i1q s GLN 85 Cb -0.21 -4.18 -0.07 0.00 -1.09 0.00 0.00 33.01 27.46 3i1q s GLN 85 CO 1.00 -2.07 1.05 0.08 -1.32 0.00 0.00 175.29 174.03 3i1q s VAL 86 N 6.71 3.74 -0.32 3.63 1.01 -0.80 -4.78 120.40 129.59 3i1q s VAL 86 Ca 0.58 0.99 -0.24 0.00 0.00 0.00 0.00 61.98 63.31 3i1q s VAL 86 Cb -0.13 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.85 3i1q s VAL 86 CO 0.25 -0.33 0.84 -2.16 0.00 0.00 0.00 175.10 173.71 3i1q s PRO 87 N -3.54 3.94 0.12 2.72 0.04 -1.26 0.58 135.00 137.61 3i1q s PRO 87 Ca 0.66 0.63 0.03 0.00 0.04 0.00 0.00 61.00 62.36 3i1q s PRO 87 Cb -0.17 -3.75 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 3i1q s PRO 87 CO 0.27 -0.76 0.18 0.54 0.04 0.00 0.00 177.00 177.27 3i1q s VAL 88 N 3.13 4.91 0.39 -0.36 0.11 -0.31 -4.88 120.40 123.38 3i1q s VAL 88 Ca 0.35 -0.77 -0.21 0.00 -2.93 0.00 0.00 61.98 58.42 3i1q s VAL 88 Cb -0.13 -3.46 -0.10 0.00 -1.53 0.00 0.00 36.38 31.15 3i1q s VAL 88 CO 0.14 -0.00 0.92 -1.61 -3.33 0.00 0.00 175.10 171.21 3i1q s GLU 89 N -2.87 4.28 -0.07 1.54 8.01 -1.26 -0.96 118.70 127.37 3i1q s GLU 89 Ca 0.32 1.10 -0.12 0.00 0.01 0.00 0.00 54.97 56.29 3i1q s GLU 89 Cb -0.11 -2.36 -0.05 0.00 -4.31 0.00 0.00 34.13 27.30 3i1q s GLU 89 CO 0.25 0.07 0.29 0.54 0.01 0.00 0.00 175.26 176.42 3i1q s VAL 90 N -2.02 5.25 0.10 2.63 0.11 -0.95 -4.83 120.40 120.69 3i1q s VAL 90 Ca 0.58 0.56 -0.25 0.00 -2.93 0.00 0.00 61.98 59.94 3i1q s VAL 90 Cb -0.11 -3.58 -0.07 0.00 -1.53 0.00 0.00 36.38 31.09 3i1q s VAL 90 CO 0.16 0.57 0.75 -0.13 -3.33 0.00 0.00 175.10 173.13 3i1q s ARG 91 N -0.88 4.51 -0.09 1.54 0.52 -1.26 -4.90 118.95 118.38 3i1q s ARG 91 Ca 0.19 1.08 -0.31 0.00 -0.52 0.00 0.00 55.73 56.18 3i1q s ARG 91 Cb -0.14 -3.31 -0.37 0.00 0.52 0.00 0.00 34.95 31.65 3i1q s ARG 91 CO 0.09 0.43 1.64 -2.30 0.02 0.00 0.00 175.30 175.18 3i1q n PRO 92 N 2.20 0.01 0.00 3.54 -0.02 -1.26 -1.39 135.00 138.08 3i1q n PRO 92 Ca -0.04 -1.06 0.00 0.00 -2.02 0.00 0.00 63.50 60.37 3i1q n PRO 92 Cb 0.50 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 3i1q n PRO 92 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3i1q n VAL 93 N 7.18 0.00 -0.06 -1.45 0.24 -1.26 -4.91 118.33 118.07 3i1q n VAL 93 Ca 0.47 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.62 3i1q n VAL 93 Cb 0.42 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.73 3i1q n VAL 93 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3i1q h ARG 94 N 0.00 0.57 -0.02 7.34 2.43 -1.62 -3.29 114.38 119.79 3i1q h ARG 94 Ca 0.00 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 3i1q h ARG 94 Cb 0.00 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3i1q h ARG 94 CO 0.00 0.97 -0.01 -2.13 -1.51 0.00 0.00 179.97 177.29 3i1q n ARG 95 N -4.31 -0.01 0.10 0.20 0.63 -1.06 -1.18 116.66 111.05 3i1q n ARG 95 Ca -0.06 0.33 -0.10 0.00 -0.92 0.00 0.00 57.85 57.11 3i1q n ARG 95 Cb 0.50 -0.50 -0.05 0.00 0.45 0.00 0.00 32.46 32.85 3i1q n ARG 95 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 3i1q h ASN 96 N 0.00 -0.84 -0.92 6.15 -1.07 -1.88 -2.07 115.58 114.96 3i1q h ASN 96 Ca 0.00 0.08 0.21 0.00 0.07 0.00 0.00 56.30 56.67 3i1q h ASN 96 Cb 0.01 0.30 -0.17 0.00 -2.07 0.00 0.00 38.32 36.38 3i1q h ASN 96 CO -0.02 -0.33 -0.09 0.00 0.07 0.00 0.00 177.43 177.06 3i1q h ALA 97 N -1.11 0.84 0.40 4.14 0.00 -1.32 0.80 119.26 123.01 3i1q h ALA 97 Ca -0.02 0.33 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3i1q h ALA 97 Cb 0.45 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3i1q h ALA 97 CO -0.11 -0.46 -0.51 -0.07 0.00 0.00 0.00 179.25 178.11 3i1q h LEU 98 N 0.02 -1.42 -0.49 0.00 3.38 -0.86 0.50 115.31 116.44 3i1q h LEU 98 Ca 0.49 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.69 3i1q h LEU 98 Cb 0.88 0.49 -0.10 0.00 0.09 0.00 0.00 40.66 42.02 3i1q h LEU 98 CO -0.89 -0.64 -0.19 0.00 0.09 0.00 0.00 178.44 176.82 3i1q h ALA 99 N -0.75 0.20 -0.41 1.53 0.00 0.12 0.52 119.26 120.47 3i1q h ALA 99 Ca -0.05 0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.13 3i1q h ALA 99 Cb 0.84 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 3i1q h ALA 99 CO -0.12 -0.52 -0.17 0.52 0.00 0.00 0.00 179.25 178.96 3i1q h MET 100 N -0.08 -0.09 0.38 0.00 2.86 0.12 0.11 114.93 118.23 3i1q h MET 100 Ca 0.23 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3i1q h MET 100 Cb 0.44 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 3i1q h MET 100 CO -0.55 -0.06 -0.50 -0.09 1.06 0.00 0.00 176.91 176.78 3i1q h ARG 101 N -0.09 -0.88 -0.97 1.72 2.43 0.17 0.14 114.38 116.91 3i1q h ARG 101 Ca 0.20 0.06 0.22 0.00 -0.81 0.00 0.00 59.98 59.66 3i1q h ARG 101 Cb 0.40 0.20 -0.08 0.00 -0.42 0.00 0.00 29.97 30.07 3i1q h ARG 101 CO -0.47 -0.59 0.63 -1.49 -1.51 0.00 0.00 179.97 176.54 3i1q h TRP 102 N -0.91 0.62 0.30 2.20 6.55 -0.19 0.92 115.95 125.44 3i1q h TRP 102 Ca -0.04 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.80 3i1q h TRP 102 Cb 0.83 -0.19 0.00 0.00 -0.86 0.00 0.00 29.16 28.94 3i1q h TRP 102 CO -0.31 0.13 -0.14 0.82 -1.05 0.00 0.00 178.44 177.88 3i1q h ILE 103 N 0.44 0.53 0.00 1.49 2.04 -0.04 0.14 117.51 122.11 3i1q h ILE 103 Ca 0.52 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 3i1q h ILE 103 Cb 1.27 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 3i1q h ILE 103 CO -0.23 0.12 -0.00 0.58 0.00 0.00 0.00 178.15 178.62 3i1q h VAL 104 N -0.94 0.01 0.00 1.67 2.07 0.13 -0.52 116.25 118.67 3i1q h VAL 104 Ca -0.04 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 3i1q h VAL 104 Cb 0.51 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3i1q h VAL 104 CO 0.07 0.00 -0.37 -0.08 0.02 0.00 0.00 177.57 177.21 3i1q h GLU 105 N 0.00 0.00 0.00 1.57 4.22 0.94 -2.96 114.58 118.34 3i1q h GLU 105 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 3i1q h GLU 105 Cb 0.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 3i1q h GLU 105 CO 0.00 0.81 -0.03 0.00 -2.18 0.00 0.00 179.01 177.62 3i1q h ALA 106 N -0.32 1.12 0.00 2.92 0.00 -0.60 -0.19 119.26 122.19 3i1q h ALA 106 Ca -0.09 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 3i1q h ALA 106 Cb 0.93 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3i1q h ALA 106 CO -0.06 0.03 -0.53 0.00 0.00 0.00 0.00 179.25 178.70 3i1q h ALA 107 N 1.97 0.82 0.00 0.00 0.00 -1.14 -1.16 119.26 119.75 3i1q h ALA 107 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3i1q h ALA 107 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3i1q h ALA 107 CO 0.00 0.66 -0.79 -2.13 0.00 0.00 0.00 179.25 176.99 3i1q n ARG 108 N -3.46 0.22 0.03 0.00 3.00 -0.24 -3.58 116.66 112.62 3i1q n ARG 108 Ca 0.00 0.02 0.12 0.00 -0.00 0.00 0.00 57.85 58.00 3i1q n ARG 108 Cb 0.64 -1.60 0.21 0.00 0.00 0.00 0.00 32.46 31.72 3i1q n ARG 108 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3i1q n LYS 109 N -1.89 0.15 -0.90 -0.14 4.76 -0.28 -4.95 118.16 114.91 3i1q n LYS 109 Ca 0.03 0.04 -0.29 0.00 -2.87 0.00 0.00 58.31 55.22 3i1q n LYS 109 Cb 0.41 -1.59 0.23 0.00 -1.84 0.00 0.00 35.03 32.24 3i1q n LYS 109 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3i1q s ARG 110 N -3.09 -0.90 -0.50 1.97 3.52 -0.46 -5.03 118.95 114.46 3i1q s ARG 110 Ca 0.08 0.32 0.05 0.00 -0.13 0.00 0.00 55.73 56.06 3i1q s ARG 110 Cb 0.15 -1.60 0.19 0.00 -1.56 0.00 0.00 34.95 32.13 3i1q s ARG 110 CO 0.71 -3.58 0.44 0.41 -0.81 0.00 0.00 175.30 172.47 3i1q n GLY 111 N -0.32 2.92 0.00 8.12 0.00 -1.26 -5.03 105.19 109.62 3i1q n GLY 111 Ca 0.08 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.33 3i1q n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i1q n ASP 112 N 2.23 0.00 0.00 1.61 10.43 -1.26 -5.13 116.55 124.43 3i1q n ASP 112 Ca 0.26 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.62 3i1q n ASP 112 Cb 0.45 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.41 3i1q n ASP 112 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3i1q n LYS 113 N 0.00 0.00 -1.88 -1.24 4.76 -1.26 -5.08 118.16 113.46 3i1q n LYS 113 Ca 0.00 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.05 3i1q n LYS 113 Cb 0.00 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.21 3i1q n LYS 113 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3i1q s SER 114 N 1.00 5.88 0.65 4.39 0.15 -1.26 -4.86 113.70 119.65 3i1q s SER 114 Ca 0.00 2.80 0.37 0.00 0.70 0.00 0.00 55.95 59.82 3i1q s SER 114 Cb 0.00 -2.64 2.05 0.00 -1.71 0.00 0.00 66.02 63.71 3i1q s SER 114 CO 0.00 -1.16 2.19 -0.03 1.20 0.00 0.00 173.24 175.44 3i1q h MET 115 N 2.23 0.00 0.06 5.44 4.05 -1.98 -2.30 114.93 122.43 3i1q h MET 115 Ca -0.50 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.91 3i1q h MET 115 Cb 1.27 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 3i1q h MET 115 CO 0.61 0.00 -0.03 0.00 0.23 0.00 0.00 176.91 177.72 3i1q h ALA 116 N 1.76 -0.08 -1.00 0.39 0.00 -1.89 0.09 119.26 118.54 3i1q h ALA 116 Ca 0.01 -0.30 0.14 0.00 0.00 0.00 0.00 54.91 54.76 3i1q h ALA 116 Cb 0.28 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 3i1q h ALA 116 CO -0.00 -0.15 0.63 -0.07 0.00 0.00 0.00 179.25 179.66 3i1q h LEU 117 N -0.87 0.88 -0.88 0.00 3.38 -1.83 0.87 115.31 116.85 3i1q h LEU 117 Ca -0.01 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3i1q h LEU 117 Cb 0.63 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3i1q h LEU 117 CO 0.01 0.43 0.19 0.03 0.09 0.00 0.00 178.44 179.20 3i1q h ARG 118 N 0.92 1.01 0.30 1.13 3.08 -1.41 0.24 114.38 119.66 3i1q h ARG 118 Ca 0.52 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 3i1q h ARG 118 Cb 0.61 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3i1q h ARG 118 CO -0.29 0.88 -0.14 1.25 -1.07 0.00 0.00 179.97 180.60 3i1q h LEU 119 N 0.98 -0.34 -0.59 3.04 6.46 0.14 -2.44 115.31 122.56 3i1q h LEU 119 Ca 0.21 -0.20 0.12 0.00 -0.12 0.00 0.00 57.88 57.89 3i1q h LEU 119 Cb 0.30 0.09 -0.11 0.00 -0.73 0.00 0.00 40.66 40.20 3i1q h LEU 119 CO -0.01 0.11 -0.21 0.00 -0.62 0.00 0.00 178.44 177.72 3i1q h ALA 120 N -0.49 0.26 -0.12 1.25 0.00 0.70 1.09 119.26 121.96 3i1q h ALA 120 Ca -0.04 0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3i1q h ALA 120 Cb 0.51 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3i1q h ALA 120 CO 0.07 -0.50 -0.15 -0.91 0.00 0.00 0.00 179.25 177.75 3i1q h ASN 121 N -0.06 -0.47 -0.33 0.00 -0.26 -0.56 0.59 115.58 114.48 3i1q h ASN 121 Ca 0.27 0.09 -0.00 0.00 -0.56 0.00 0.00 56.30 56.10 3i1q h ASN 121 Cb 0.48 0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.95 3i1q h ASN 121 CO -0.63 -0.20 0.20 -0.33 -1.06 0.00 0.00 177.43 175.41 3i1q h GLU 122 N -0.20 0.46 0.28 0.81 4.39 -0.81 0.26 114.58 119.77 3i1q h GLU 122 Ca 0.09 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3i1q h GLU 122 Cb 0.33 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 3i1q h GLU 122 CO -0.23 0.35 -0.34 1.25 -1.16 0.00 0.00 179.01 178.88 3i1q h LEU 123 N 0.43 -0.93 -1.16 1.33 7.12 0.21 0.52 115.31 122.83 3i1q h LEU 123 Ca 0.12 0.09 -0.05 0.00 0.13 0.00 0.00 57.88 58.17 3i1q h LEU 123 Cb 0.02 0.33 -0.02 0.00 -0.53 0.00 0.00 40.66 40.45 3i1q h LEU 123 CO -0.02 -0.46 0.02 -1.28 -0.13 0.00 0.00 178.44 176.56 3i1q h SER 124 N -0.67 0.56 0.02 1.25 0.87 0.15 -2.82 113.55 112.92 3i1q h SER 124 Ca -0.01 -0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.45 3i1q h SER 124 Cb 0.63 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 3i1q h SER 124 CO -0.10 0.62 -0.06 -0.78 -0.53 0.00 0.00 176.83 175.99 3i1q h ASP 125 N 0.58 -0.15 -0.37 6.23 -0.00 0.51 -2.69 116.42 120.53 3i1q h ASP 125 Ca 0.12 0.02 0.07 0.00 -0.00 0.00 0.00 57.03 57.25 3i1q h ASP 125 Cb 0.34 0.06 -0.02 0.00 -0.00 0.00 0.00 39.33 39.71 3i1q h ASP 125 CO 0.01 -0.09 0.26 0.00 -0.00 0.00 0.00 179.24 179.42 3i1q h ALA 126 N 0.87 2.12 -0.64 -0.78 0.00 0.26 -0.87 119.26 120.21 3i1q h ALA 126 Ca 0.02 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.03 3i1q h ALA 126 Cb 0.13 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 3i1q h ALA 126 CO -0.04 -0.21 0.18 0.00 0.00 0.00 0.00 179.25 179.18 3i1q h ALA 127 N 1.81 0.81 -0.80 0.00 0.00 -1.33 0.52 119.26 120.26 3i1q h ALA 127 Ca 0.17 0.12 -0.54 0.00 0.00 0.00 0.00 54.91 54.66 3i1q h ALA 127 Cb 0.45 0.15 -0.23 0.00 0.00 0.00 0.00 17.79 18.15 3i1q h ALA 127 CO -0.03 -0.27 0.70 -0.85 0.00 0.00 0.00 179.25 178.80 3i1q n GLU 128 N -5.09 2.35 -0.35 0.00 0.28 -0.35 -4.84 120.64 112.64 3i1q n GLU 128 Ca 0.10 -2.63 0.00 0.00 -0.16 0.00 0.00 57.16 54.48 3i1q n GLU 128 Cb 0.34 -2.03 0.00 0.00 1.43 0.00 0.00 31.44 31.18 3i1q n GLU 128 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 3i1q n ASN 129 N -0.42 0.00 -2.58 -1.84 6.94 0.18 -4.78 115.26 112.75 3i1q n ASN 129 Ca 0.50 0.00 -0.02 0.00 -0.02 0.00 0.00 54.58 55.05 3i1q n ASN 129 Cb 0.63 0.00 0.10 0.00 -2.36 0.00 0.00 39.78 38.14 3i1q n ASN 129 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 3i1q n LYS 130 N -0.02 1.34 -4.70 -3.83 2.85 -1.24 -4.99 118.16 107.57 3i1q n LYS 130 Ca 0.00 -1.76 -0.31 0.00 -1.05 0.00 0.00 58.31 55.19 3i1q n LYS 130 Cb 0.00 -0.06 -0.08 0.00 -0.65 0.00 0.00 35.03 34.24 3i1q n LYS 130 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3i1q s GLY 131 N -1.78 2.92 0.18 2.58 0.00 -1.26 -4.98 107.32 104.97 3i1q s GLY 131 Ca 0.13 -0.62 -0.22 0.00 0.00 0.00 0.00 44.72 44.02 3i1q s GLY 131 CO -0.10 -2.10 1.59 -0.84 0.00 0.00 0.00 173.10 171.65 3i1q h THR 132 N 1.47 0.19 0.38 0.90 2.02 -1.96 -1.95 112.91 113.95 3i1q h THR 132 Ca -0.42 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 3i1q h THR 132 Cb 1.30 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3i1q h THR 132 CO 0.69 0.00 -0.19 0.00 0.37 0.00 0.00 175.52 176.39 3i1q h ALA 133 N 0.89 -0.52 -0.67 6.16 0.00 -1.92 -2.44 119.26 120.76 3i1q h ALA 133 Ca 0.21 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.16 3i1q h ALA 133 Cb 0.54 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3i1q h ALA 133 CO -0.62 -0.80 0.46 -0.39 0.00 0.00 0.00 179.25 177.90 3i1q h VAL 134 N -0.53 0.75 0.00 0.00 -1.51 -1.81 0.31 116.25 113.46 3i1q h VAL 134 Ca -0.05 -0.07 -0.04 0.00 -1.23 0.00 0.00 66.70 65.31 3i1q h VAL 134 Cb 0.41 0.53 -0.01 0.00 -2.13 0.00 0.00 31.29 30.09 3i1q h VAL 134 CO 0.08 0.04 -0.18 0.50 -1.23 0.00 0.00 177.57 176.77 3i1q h LYS 135 N 0.21 0.00 -0.67 5.19 1.63 -0.86 -1.44 116.57 120.63 3i1q h LYS 135 Ca 0.32 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 60.05 3i1q h LYS 135 Cb 0.97 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.58 3i1q h LYS 135 CO -0.06 0.18 0.13 -0.22 -3.45 0.00 0.00 179.45 176.03 3i1q h LYS 136 N 0.00 1.10 -0.18 1.90 1.63 -0.34 -0.35 116.57 120.33 3i1q h LYS 136 Ca -0.00 -0.29 0.05 0.00 -0.85 0.00 0.00 60.65 59.57 3i1q h LYS 136 Cb 0.36 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 3i1q h LYS 136 CO 0.02 1.00 0.18 -0.09 -3.45 0.00 0.00 179.45 177.12 3i1q h ARG 137 N 1.02 0.00 -2.08 1.90 2.43 -1.22 -1.70 114.38 114.74 3i1q h ARG 137 Ca 0.21 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.71 3i1q h ARG 137 Cb 0.42 0.00 -0.22 0.00 -0.42 0.00 0.00 29.97 29.75 3i1q h ARG 137 CO 0.01 0.00 0.92 0.39 -1.51 0.00 0.00 179.97 179.78 3i1q n GLU 138 N -3.93 3.05 0.00 0.20 -0.58 -0.14 -3.61 120.64 115.63 3i1q n GLU 138 Ca 0.02 -3.19 0.00 0.00 -0.42 0.00 0.00 57.16 53.57 3i1q n GLU 138 Cb 0.31 -2.27 0.00 0.00 -0.57 0.00 0.00 31.44 28.91 3i1q n GLU 138 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3i1q n ASP 139 N 0.23 0.00 0.30 1.62 10.43 -0.69 -4.64 116.55 123.80 3i1q n ASP 139 Ca 0.52 0.00 0.19 0.00 2.57 0.00 0.00 54.79 58.07 3i1q n ASP 139 Cb 0.36 0.09 0.85 0.00 1.84 0.00 0.00 41.12 44.25 3i1q n ASP 139 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 3i1q h VAL 140 N 0.00 0.00 0.00 2.53 2.07 -1.53 0.86 116.25 120.18 3i1q h VAL 140 Ca 0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3i1q h VAL 140 Cb 0.00 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3i1q h VAL 140 CO 0.00 0.00 -1.75 1.41 0.02 0.00 0.00 177.57 177.25 3i1q n HIS 141 N -3.09 0.12 -0.03 1.57 8.25 -1.24 -3.72 115.22 117.08 3i1q n HIS 141 Ca -0.00 0.04 -0.14 0.00 -0.26 0.00 0.00 57.72 57.35 3i1q n HIS 141 Cb 0.24 -0.50 -0.09 0.00 1.12 0.00 0.00 29.99 30.75 3i1q n HIS 141 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i1q h ARG 142 N 0.00 0.29 0.20 -0.41 2.47 -1.37 -3.31 114.38 112.24 3i1q h ARG 142 Ca 0.00 -0.22 0.00 0.00 -1.26 0.00 0.00 59.98 58.51 3i1q h ARG 142 Cb 0.94 0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 29.27 3i1q h ARG 142 CO 0.00 0.85 -0.47 1.98 0.56 0.00 0.00 179.97 182.89 3i1q h MET 143 N -0.22 -0.71 0.00 0.04 4.05 0.50 -3.30 114.93 115.29 3i1q h MET 143 Ca -0.01 0.05 -0.37 0.00 -0.28 0.00 0.00 59.70 59.09 3i1q h MET 143 Cb 0.88 0.16 0.17 0.00 -0.80 0.00 0.00 31.60 32.02 3i1q h MET 143 CO 0.05 -0.47 0.18 0.00 0.23 0.00 0.00 176.91 176.90 3i1q n ALA 144 N -2.84 -2.62 0.00 0.39 0.00 -1.24 -1.84 120.51 112.35 3i1q n ALA 144 Ca -0.08 -1.50 0.00 0.00 0.00 0.00 0.00 53.44 51.86 3i1q n ALA 144 Cb 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.73 3i1q n ALA 144 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i1q n GLU 145 N -4.25 0.00 0.00 0.00 2.13 -1.25 -4.40 120.64 112.87 3i1q n GLU 145 Ca 0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.96 3i1q n GLU 145 Cb 0.53 -1.95 0.00 0.00 0.27 0.00 0.00 31.44 30.29 3i1q n GLU 145 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i1q n ALA 146 N 0.26 0.00 0.00 4.31 0.00 -1.20 -4.23 120.51 119.65 3i1q n ALA 146 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1q n ALA 146 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1q n ALA 146 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i1q n ASN 147 N -0.78 0.00 0.24 0.00 5.03 -0.77 -3.45 115.26 115.52 3i1q n ASN 147 Ca 0.00 0.00 0.10 0.00 0.87 0.00 0.00 54.58 55.55 3i1q n ASN 147 Cb 0.00 0.00 0.51 0.00 -1.02 0.00 0.00 39.78 39.27 3i1q n ASN 147 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 3i1q h LYS 148 N 0.00 0.00 -0.67 3.52 3.64 -1.82 0.60 116.57 121.85 3i1q h LYS 148 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i1q h LYS 148 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3i1q h LYS 148 CO 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.18 3i1q n ALA 149 N -1.68 2.28 -3.39 5.00 0.00 -1.22 -3.97 120.51 117.53 3i1q n ALA 149 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.17 3i1q n ALA 149 Cb 0.38 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.75 3i1q n ALA 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i1q n PHE 150 N -0.04 1.64 0.33 0.00 3.01 0.20 -5.13 117.46 117.46 3i1q n PHE 150 Ca 0.00 -3.87 0.04 0.00 1.01 0.00 0.00 57.45 54.63 3i1q n PHE 150 Cb 0.17 -0.40 0.03 0.00 -0.01 0.00 0.00 39.48 39.27 3i1q n PHE 150 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77