#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3il2 n LYS 2 N 0.00 -0.07 -2.12 1.61 4.81 -1.26 -4.89 118.16 116.24 3il2 n LYS 2 Ca 0.00 0.07 -0.42 0.00 -0.87 0.00 0.00 58.31 57.09 3il2 n LYS 2 Cb 0.00 -0.11 -0.03 0.00 0.02 0.00 0.00 35.03 34.91 3il2 n LYS 2 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3il2 s VAL 3 N 0.00 3.47 0.35 3.15 1.01 -1.26 -4.99 120.40 122.13 3il2 s VAL 3 Ca 0.00 0.88 -0.27 0.00 0.00 0.00 0.00 61.98 62.58 3il2 s VAL 3 Cb 0.00 -3.56 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 3il2 s VAL 3 CO 0.00 -0.00 1.18 -2.16 0.00 0.00 0.00 175.10 174.12 3il2 s PRO 4 N 2.51 4.30 0.56 2.72 0.04 -1.26 -4.88 135.00 138.98 3il2 s PRO 4 Ca 0.67 1.91 0.34 0.00 0.04 0.00 0.00 61.00 63.96 3il2 s PRO 4 Cb -0.34 -2.91 1.60 0.00 0.04 0.00 0.00 34.50 32.89 3il2 s PRO 4 CO 0.28 -0.13 2.09 1.05 0.04 0.00 0.00 177.00 180.33 3il2 h GLU 5 N 3.14 0.00 0.00 4.56 4.11 -2.02 -0.69 114.58 123.68 3il2 h GLU 5 Ca -0.48 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.91 3il2 h GLU 5 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3il2 h GLU 5 CO 0.64 0.06 -0.18 0.00 0.07 0.00 0.00 179.01 179.60 3il2 h ALA 6 N 1.94 1.23 0.00 1.06 0.00 -2.01 -1.84 119.26 119.64 3il2 h ALA 6 Ca -0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3il2 h ALA 6 Cb 0.36 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3il2 h ALA 6 CO 0.01 0.23 -0.34 0.00 0.00 0.00 0.00 179.25 179.15 3il2 h ALA 7 N 1.82 1.08 0.00 0.00 0.00 -1.48 -2.69 119.26 117.98 3il2 h ALA 7 Ca -0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3il2 h ALA 7 Cb 0.49 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3il2 h ALA 7 CO 0.02 0.42 -0.27 0.82 0.00 0.00 0.00 179.25 180.25 3il2 h ILE 8 N 0.00 0.52 -0.05 0.00 5.03 -1.40 -1.56 117.51 120.05 3il2 h ILE 8 Ca -0.00 -1.48 -0.18 0.00 -0.12 0.00 0.00 64.86 63.07 3il2 h ILE 8 Cb 0.79 2.05 -0.01 0.00 -3.03 0.00 0.00 36.82 36.62 3il2 h ILE 8 CO 0.04 0.26 -0.76 0.28 -0.68 0.00 0.00 178.15 177.29 3il2 h SER 9 N 0.00 0.41 0.40 1.72 0.02 -1.45 -2.89 113.55 111.76 3il2 h SER 9 Ca -0.00 -0.28 -0.16 0.00 -0.84 0.00 0.00 61.79 60.50 3il2 h SER 9 Cb 1.03 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 3il2 h SER 9 CO 0.03 1.02 -0.69 0.03 -1.14 0.00 0.00 176.83 176.09 3il2 h ARG 10 N 0.22 0.25 -0.64 3.45 3.08 -1.29 -2.59 114.38 116.87 3il2 h ARG 10 Ca -0.03 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.73 3il2 h ARG 10 Cb 1.34 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.41 3il2 h ARG 10 CO 0.13 0.84 0.08 -0.07 -1.07 0.00 0.00 179.97 179.87 3il2 h LEU 11 N 0.18 1.04 -0.97 3.04 3.38 -1.26 0.23 115.31 120.94 3il2 h LEU 11 Ca -0.02 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.71 3il2 h LEU 11 Cb 1.23 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.65 3il2 h LEU 11 CO 0.11 1.05 0.64 0.40 0.09 0.00 0.00 178.44 180.73 3il2 h ILE 12 N 0.98 1.19 -0.14 1.22 2.04 -1.42 0.16 117.51 121.55 3il2 h ILE 12 Ca 0.19 -0.43 -0.15 0.00 1.00 0.00 0.00 64.86 65.47 3il2 h ILE 12 Cb 0.47 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 3il2 h ILE 12 CO 0.02 0.23 -0.54 0.74 0.00 0.00 0.00 178.15 178.60 3il2 h THR 13 N 1.26 1.34 -0.30 -0.27 2.02 -0.94 -2.64 112.91 113.37 3il2 h THR 13 Ca 0.38 -1.81 -0.06 0.00 0.77 0.00 0.00 66.41 65.69 3il2 h THR 13 Cb -0.05 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 3il2 h THR 13 CO -0.11 0.55 -0.03 1.88 0.37 0.00 0.00 175.52 178.18 3il2 h TYR 14 N 0.32 0.60 -0.57 3.16 0.05 0.88 -2.12 116.97 119.29 3il2 h TYR 14 Ca 0.01 -0.12 0.06 0.00 0.05 0.00 0.00 58.73 58.73 3il2 h TYR 14 Cb 1.05 -0.15 -0.05 0.00 1.01 0.00 0.00 36.73 38.59 3il2 h TYR 14 CO 0.03 0.71 0.28 1.25 -1.05 0.00 0.00 178.16 179.38 3il2 h LEU 15 N 0.33 0.38 -0.77 3.88 5.85 -0.71 -0.74 115.31 123.54 3il2 h LEU 15 Ca 0.08 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3il2 h LEU 15 Cb 0.49 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 3il2 h LEU 15 CO 0.02 0.25 0.45 0.03 -0.34 0.00 0.00 178.44 178.86 3il2 h ARG 16 N 0.53 1.05 -0.21 1.25 3.08 -1.34 -0.71 114.38 118.03 3il2 h ARG 16 Ca 0.26 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 3il2 h ARG 16 Cb 0.20 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3il2 h ARG 16 CO -0.20 0.75 -0.10 0.82 -1.07 0.00 0.00 179.97 180.17 3il2 h ILE 17 N 1.05 1.19 -0.06 2.04 2.04 -0.64 -2.23 117.51 120.90 3il2 h ILE 17 Ca 0.27 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 3il2 h ILE 17 Cb -0.02 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3il2 h ILE 17 CO -0.05 0.26 -0.08 -0.07 0.00 0.00 0.00 178.15 178.21 3il2 h LEU 18 N 0.31 0.17 -0.62 1.44 3.38 -0.37 -1.76 115.31 117.87 3il2 h LEU 18 Ca 0.06 -0.52 0.12 0.00 0.09 0.00 0.00 57.88 57.63 3il2 h LEU 18 Cb 0.37 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 3il2 h LEU 18 CO 0.02 0.66 0.14 -0.33 0.09 0.00 0.00 178.44 179.02 3il2 h GLU 19 N -0.31 0.26 -0.30 1.13 4.39 -0.92 0.26 114.58 119.09 3il2 h GLU 19 Ca 0.01 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.71 3il2 h GLU 19 Cb 0.62 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 3il2 h GLU 19 CO 0.02 0.17 0.14 1.49 -1.16 0.00 0.00 179.01 179.67 3il2 h GLU 20 N 0.27 0.28 0.14 2.33 4.57 -1.31 0.27 114.58 121.13 3il2 h GLU 20 Ca 0.33 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.49 3il2 h GLU 20 Cb 0.49 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 3il2 h GLU 20 CO -0.41 0.19 -0.19 -0.07 -1.18 0.00 0.00 179.01 177.35 3il2 h LEU 21 N 0.29 -0.53 -1.00 1.64 3.38 -0.03 0.49 115.31 119.55 3il2 h LEU 21 Ca 0.13 0.05 0.21 0.00 0.09 0.00 0.00 57.88 58.35 3il2 h LEU 21 Cb 0.06 0.18 -0.19 0.00 0.09 0.00 0.00 40.66 40.80 3il2 h LEU 21 CO -0.10 -0.23 -0.23 1.21 0.09 0.00 0.00 178.44 179.19 3il2 n GLU 22 N -3.46 -0.09 0.26 1.13 2.13 0.69 0.35 120.64 121.65 3il2 n GLU 22 Ca -0.04 1.55 0.17 0.00 0.66 0.00 0.00 57.16 59.50 3il2 n GLU 22 Cb 0.16 -2.33 0.90 0.00 0.27 0.00 0.00 31.44 30.44 3il2 n GLU 22 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3il2 h ALA 23 N 2.00 1.60 0.00 4.31 0.00 -0.08 0.49 119.26 127.57 3il2 h ALA 23 Ca 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3il2 h ALA 23 Cb 0.78 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3il2 h ALA 23 CO -1.02 -0.14 -0.53 1.04 0.00 0.00 0.00 179.25 178.60 3il2 n GLN 24 N -3.73 0.12 -0.20 0.00 6.02 1.08 -4.95 117.38 115.71 3il2 n GLN 24 Ca -0.01 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3il2 n GLN 24 Cb 0.19 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 29.88 3il2 n GLN 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3il2 n GLY 25 N 1.43 0.77 3.78 1.08 0.00 0.17 -5.06 105.19 107.36 3il2 n GLY 25 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 3il2 n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3il2 s VAL 26 N -2.17 3.62 -0.00 1.61 1.01 -1.18 -4.95 120.40 118.33 3il2 s VAL 26 Ca 0.00 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.18 3il2 s VAL 26 Cb 0.00 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 3il2 s VAL 26 CO 0.00 -0.05 0.03 1.57 0.00 0.00 0.00 175.10 176.65 3il2 n HIS 27 N -0.35 0.00 -4.53 5.22 -0.00 -1.26 -4.30 115.22 110.00 3il2 n HIS 27 Ca 0.06 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 58.02 3il2 n HIS 27 Cb 0.50 -0.05 -0.16 0.00 -0.12 0.00 0.00 29.99 30.17 3il2 n HIS 27 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 3il2 s ARG 28 N -2.10 1.22 0.38 1.57 0.52 -1.26 -2.15 118.95 117.13 3il2 s ARG 28 Ca -0.01 -0.40 0.04 0.00 -0.52 0.00 0.00 55.73 54.84 3il2 s ARG 28 Cb 0.01 -1.11 -0.03 0.00 0.52 0.00 0.00 34.95 34.34 3il2 s ARG 28 CO 0.07 0.15 0.13 -0.08 0.02 0.00 0.00 175.30 175.59 3il2 s THR 29 N 0.15 0.62 0.13 0.02 -1.32 -0.90 -4.91 115.64 109.42 3il2 s THR 29 Ca -0.03 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 58.44 3il2 s THR 29 Cb -0.10 -2.43 -0.04 0.00 -1.51 0.00 0.00 72.50 68.42 3il2 s THR 29 CO 0.01 0.00 0.05 -0.94 -2.21 0.00 0.00 174.62 171.53 3il2 s SER 30 N -3.55 0.32 0.18 8.08 1.04 -1.26 -4.48 113.70 114.03 3il2 s SER 30 Ca 0.28 -1.20 -0.16 0.00 0.48 0.00 0.00 55.95 55.35 3il2 s SER 30 Cb 0.04 0.29 0.15 0.00 0.10 0.00 0.00 66.02 66.59 3il2 s SER 30 CO 0.15 -0.72 1.64 -1.28 0.98 0.00 0.00 173.24 174.01 3il2 h SER 31 N 2.88 -0.54 -0.01 7.02 0.87 -1.91 0.13 113.55 121.99 3il2 h SER 31 Ca -0.35 0.16 -0.05 0.00 -1.23 0.00 0.00 61.79 60.31 3il2 h SER 31 Cb 1.20 0.33 -0.01 0.00 -0.44 0.00 0.00 62.40 63.48 3il2 h SER 31 CO 0.59 -0.19 -0.13 -0.08 -0.53 0.00 0.00 176.83 176.50 3il2 h GLU 32 N -0.04 0.29 -0.01 2.24 4.22 -1.96 -2.05 114.58 117.28 3il2 h GLU 32 Ca 0.23 -0.07 -0.00 0.00 0.08 0.00 0.00 59.36 59.60 3il2 h GLU 32 Cb 0.39 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 3il2 h GLU 32 CO -0.52 0.43 -0.01 0.37 -2.18 0.00 0.00 179.01 177.11 3il2 h GLN 33 N 0.28 0.02 0.14 1.92 4.15 -1.44 -2.17 115.11 118.00 3il2 h GLN 33 Ca 0.06 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.48 3il2 h GLN 33 Cb 0.40 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 3il2 h GLN 33 CO 0.02 0.44 -0.20 -0.07 -1.93 0.00 0.00 178.83 177.09 3il2 h LEU 34 N -0.39 -0.55 -0.68 -2.39 4.07 -0.97 -2.22 115.31 112.18 3il2 h LEU 34 Ca 0.00 0.06 0.12 0.00 0.08 0.00 0.00 57.88 58.14 3il2 h LEU 34 Cb 0.43 0.20 -0.08 0.00 1.08 0.00 0.00 40.66 42.29 3il2 h LEU 34 CO 0.00 -0.29 0.24 1.23 -1.08 0.00 0.00 178.44 178.55 3il2 h GLY 35 N -0.39 0.97 0.31 0.83 0.00 -1.40 0.15 103.07 103.54 3il2 h GLY 35 Ca 0.02 -0.12 0.07 0.00 0.00 0.00 0.00 47.33 47.30 3il2 h GLY 35 CO -0.09 -0.07 -0.09 -2.09 0.00 0.00 0.00 176.54 174.20 3il2 h GLU 36 N 0.40 -0.00 0.00 4.80 4.22 -1.04 1.25 114.58 124.21 3il2 h GLU 36 Ca 0.36 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.74 3il2 h GLU 36 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3il2 h GLU 36 CO -0.37 -0.00 -0.28 -0.07 -2.18 0.00 0.00 179.01 176.11 3il2 h LEU 37 N -0.00 0.00 -1.42 1.64 3.38 -0.60 -3.00 115.31 115.31 3il2 h LEU 37 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3il2 h LEU 37 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3il2 h LEU 37 CO -0.36 0.28 -0.24 0.00 0.09 0.00 0.00 178.44 178.21 3il2 n ALA 38 N -2.23 3.02 -3.43 1.53 0.00 0.41 -4.99 120.51 114.81 3il2 n ALA 38 Ca 0.00 -0.66 -0.17 0.00 0.00 0.00 0.00 53.44 52.61 3il2 n ALA 38 Cb 0.49 -0.77 0.08 0.00 0.00 0.00 0.00 19.45 19.25 3il2 n ALA 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3il2 n GLN 39 N 0.60 -5.83 -4.07 0.00 6.02 0.42 -5.02 117.38 109.51 3il2 n GLN 39 Ca 0.11 0.83 -0.10 0.00 -0.01 0.00 0.00 57.00 57.83 3il2 n GLN 39 Cb 0.51 -5.78 -0.08 0.00 1.02 0.00 0.00 30.24 25.91 3il2 n GLN 39 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3il2 s VAL 40 N -3.39 0.02 0.35 5.09 -7.23 -0.57 -5.04 120.40 109.63 3il2 s VAL 40 Ca 0.07 -1.64 -0.15 0.00 -1.81 0.00 0.00 61.98 58.44 3il2 s VAL 40 Cb -0.01 -2.23 -0.09 0.00 0.56 0.00 0.00 36.38 34.61 3il2 s VAL 40 CO 0.74 -0.08 0.77 0.42 -0.31 0.00 0.00 175.10 176.64 3il2 s THR 41 N -4.06 4.65 0.66 5.32 -4.23 -1.26 -4.16 115.64 112.56 3il2 s THR 41 Ca 0.27 0.98 0.35 0.00 -1.18 0.00 0.00 61.69 62.12 3il2 s THR 41 Cb 0.03 -3.62 0.36 0.00 1.34 0.00 0.00 72.50 70.61 3il2 s THR 41 CO 0.08 -0.24 2.08 0.00 -0.54 0.00 0.00 174.62 176.01 3il2 h ALA 42 N 2.10 1.26 0.20 3.99 0.00 -1.90 0.46 119.26 125.38 3il2 h ALA 42 Ca -0.48 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3il2 h ALA 42 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3il2 h ALA 42 CO 0.65 -0.22 -0.10 0.74 0.00 0.00 0.00 179.25 180.31 3il2 h PHE 43 N 0.00 -0.25 -0.72 0.00 0.04 -1.90 -2.39 116.94 111.72 3il2 h PHE 43 Ca 0.01 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.81 3il2 h PHE 43 Cb 0.44 0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.63 3il2 h PHE 43 CO 0.00 0.08 0.48 0.37 -0.60 0.00 0.00 178.31 178.64 3il2 h GLN 44 N -0.62 0.84 -0.10 1.51 4.15 -1.29 0.15 115.11 119.74 3il2 h GLN 44 Ca -0.03 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 3il2 h GLN 44 Cb 0.45 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.95 3il2 h GLN 44 CO 0.05 0.55 0.06 0.28 -1.93 0.00 0.00 178.83 177.84 3il2 h VAL 45 N 0.86 1.07 -0.88 2.39 2.07 -1.35 0.56 116.25 120.98 3il2 h VAL 45 Ca 0.29 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 3il2 h VAL 45 Cb 0.08 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3il2 h VAL 45 CO -0.08 0.06 0.45 0.03 0.02 0.00 0.00 177.57 178.05 3il2 h ARG 46 N 0.09 1.25 -0.42 1.57 3.08 -0.78 -1.18 114.38 117.99 3il2 h ARG 46 Ca 0.04 -0.16 -0.12 0.00 0.07 0.00 0.00 59.98 59.80 3il2 h ARG 46 Cb 0.05 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 3il2 h ARG 46 CO -0.01 0.93 -0.24 -0.22 -1.07 0.00 0.00 179.97 179.37 3il2 h LYS 47 N 1.24 0.85 0.00 0.04 1.63 -0.27 0.56 116.57 120.63 3il2 h LYS 47 Ca 0.31 -0.36 -0.06 0.00 -0.85 0.00 0.00 60.65 59.68 3il2 h LYS 47 Cb 0.07 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 3il2 h LYS 47 CO -0.04 1.00 -0.29 -0.44 -3.45 0.00 0.00 179.45 176.22 3il2 h ASP 48 N 0.74 0.00 0.65 4.20 3.32 0.69 -2.93 116.42 123.09 3il2 h ASP 48 Ca 0.10 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.88 3il2 h ASP 48 Cb 0.78 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 3il2 h ASP 48 CO 0.06 0.29 -1.38 -0.07 -1.72 0.00 0.00 179.24 176.43 3il2 h LEU 49 N 0.00 0.18 -1.91 1.55 3.38 -0.82 -3.34 115.31 114.34 3il2 h LEU 49 Ca -0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 3il2 h LEU 49 Cb 0.55 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3il2 h LEU 49 CO 0.04 1.20 -0.12 0.77 0.09 0.00 0.00 178.44 180.42 3il2 h SER 50 N 0.03 0.00 0.13 -0.43 4.64 -0.70 -1.69 113.55 115.53 3il2 h SER 50 Ca -0.17 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3il2 h SER 50 Cb 1.93 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.02 3il2 h SER 50 CO 0.14 0.12 -0.00 1.88 -0.87 0.00 0.00 176.83 178.09 3il2 h TYR 51 N 0.00 0.00 0.00 4.77 -1.99 -1.67 -3.15 116.97 114.92 3il2 h TYR 51 Ca -0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 3il2 h TYR 51 Cb 0.25 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.98 3il2 h TYR 51 CO 0.00 0.00 -1.14 1.19 -0.00 0.00 0.00 178.16 178.22 3il2 n PHE 52 N -3.16 0.00 -0.40 4.88 3.01 -0.70 -5.02 117.46 116.07 3il2 n PHE 52 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 3il2 n PHE 52 Cb 0.10 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 3il2 n PHE 52 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3il2 n GLY 53 N 2.38 -2.70 3.12 1.37 0.00 -0.79 -5.04 105.19 103.53 3il2 n GLY 53 Ca -0.01 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 3il2 n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3il2 s SER 54 N -0.41 5.43 0.00 1.61 0.01 -1.26 -4.12 113.70 114.96 3il2 s SER 54 Ca 0.00 -2.87 0.20 0.00 1.31 0.00 0.00 55.95 54.58 3il2 s SER 54 Cb 0.00 -1.90 0.56 0.00 0.21 0.00 0.00 66.02 64.89 3il2 s SER 54 CO 0.00 -0.38 1.47 -1.22 0.41 0.00 0.00 173.24 173.51 3il2 n TYR 55 N 3.49 0.84 -3.00 2.43 4.02 -1.26 -4.86 117.16 118.83 3il2 n TYR 55 Ca 0.09 -0.42 -0.43 0.00 -0.01 0.00 0.00 57.90 57.13 3il2 n TYR 55 Cb 0.39 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.66 3il2 n TYR 55 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3il2 s GLY 56 N -1.01 1.59 0.00 2.72 0.00 -1.26 -4.19 107.32 105.17 3il2 s GLY 56 Ca 0.42 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.52 3il2 s GLY 56 CO 0.29 1.76 0.00 -1.30 0.00 0.00 0.00 173.10 173.85 3il2 n THR 57 N 5.85 0.00 -3.30 0.90 -2.24 -1.26 -4.72 114.28 109.52 3il2 n THR 57 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3il2 n THR 57 Cb 0.46 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 3il2 n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3il2 n GLY 61 N 0.00 -0.45 0.73 3.38 0.00 -1.26 -5.12 105.19 102.47 3il2 n GLY 61 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3il2 n GLY 61 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3il2 n TYR 62 N 9.00 0.00 -3.23 1.61 0.53 -1.26 -4.56 117.16 119.25 3il2 n TYR 62 Ca 0.00 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.45 3il2 n TYR 62 Cb 0.00 -0.73 -0.08 0.00 -1.03 0.00 0.00 39.34 37.50 3il2 n TYR 62 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 3il2 s THR 63 N -0.17 4.98 0.10 -0.72 2.01 -1.26 -2.12 115.64 118.45 3il2 s THR 63 Ca 0.00 -0.17 -0.16 0.00 0.31 0.00 0.00 61.69 61.67 3il2 s THR 63 Cb 0.00 -4.11 -0.00 0.00 0.01 0.00 0.00 72.50 68.39 3il2 s THR 63 CO 0.00 -0.50 0.89 0.52 -0.69 0.00 0.00 174.62 174.83 3il2 n VAL 64 N 5.61 -0.37 0.25 3.82 0.31 -0.92 0.23 118.33 127.26 3il2 n VAL 64 Ca -0.05 1.38 0.11 0.00 -0.01 0.00 0.00 64.34 65.77 3il2 n VAL 64 Cb 0.47 -1.73 0.66 0.00 -0.91 0.00 0.00 33.84 32.33 3il2 n VAL 64 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3il2 h PRO 65 N 0.00 0.00 0.00 5.55 0.11 -1.89 0.25 132.00 136.02 3il2 h PRO 65 Ca 0.11 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.14 3il2 h PRO 65 Cb 0.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 3il2 h PRO 65 CO -0.55 0.15 -0.42 0.28 -0.21 0.00 0.00 178.00 177.25 3il2 h VAL 66 N 0.00 0.73 0.01 3.15 2.07 0.24 -2.79 116.25 119.66 3il2 h VAL 66 Ca -0.00 -2.01 -0.06 0.00 0.82 0.00 0.00 66.70 65.44 3il2 h VAL 66 Cb 0.36 2.35 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 3il2 h VAL 66 CO 0.02 0.41 -0.32 -0.07 0.02 0.00 0.00 177.57 177.63 3il2 h LEU 67 N 0.00 0.05 -0.97 2.57 3.38 0.38 -2.57 115.31 118.14 3il2 h LEU 67 Ca -0.00 -0.91 0.23 0.00 0.09 0.00 0.00 57.88 57.28 3il2 h LEU 67 Cb 1.32 -0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.93 3il2 h LEU 67 CO 0.05 1.13 0.54 0.50 0.09 0.00 0.00 178.44 180.76 3il2 h LYS 68 N -0.93 0.56 -0.09 1.13 3.64 -0.66 0.30 116.57 120.52 3il2 h LYS 68 Ca -0.08 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 3il2 h LYS 68 Cb 1.12 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3il2 h LYS 68 CO -0.02 0.37 -0.30 -0.09 -2.27 0.00 0.00 179.45 177.13 3il2 h ARG 69 N 0.57 0.36 -0.36 1.90 2.43 -1.59 -2.43 114.38 115.27 3il2 h ARG 69 Ca 0.61 -0.27 -0.08 0.00 -0.81 0.00 0.00 59.98 59.43 3il2 h ARG 69 Cb 1.10 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 3il2 h ARG 69 CO -0.47 0.90 -0.10 0.93 -1.51 0.00 0.00 179.97 179.72 3il2 h GLU 70 N -0.10 0.61 -0.13 0.20 4.39 -0.80 -2.47 114.58 116.28 3il2 h GLU 70 Ca -0.01 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.48 3il2 h GLU 70 Cb 0.93 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.51 3il2 h GLU 70 CO 0.06 0.70 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.54 3il2 h LEU 71 N 0.56 0.23 -1.57 1.33 3.38 -0.47 -0.89 115.31 117.89 3il2 h LEU 71 Ca 0.10 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3il2 h LEU 71 Cb 0.51 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3il2 h LEU 71 CO 0.03 0.51 0.00 0.08 0.09 0.00 0.00 178.44 179.15 3il2 h ARG 72 N -0.05 0.00 0.22 1.13 0.11 -1.38 0.31 114.38 114.72 3il2 h ARG 72 Ca 0.03 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.82 3il2 h ARG 72 Cb 0.40 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.51 3il2 h ARG 72 CO 0.01 0.00 -1.29 1.25 0.10 0.00 0.00 179.97 180.04 3il2 h HIS 73 N 0.00 0.85 -0.56 4.08 2.76 -1.11 0.19 115.15 121.36 3il2 h HIS 73 Ca 0.00 -0.62 -0.06 0.00 -2.20 0.00 0.00 60.37 57.49 3il2 h HIS 73 Cb 0.31 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.21 3il2 h HIS 73 CO 0.00 1.49 0.10 0.82 -1.30 0.00 0.00 177.93 179.05 3il2 h ILE 74 N -0.02 1.24 -0.00 6.26 2.04 0.15 -2.68 117.51 124.51 3il2 h ILE 74 Ca -0.23 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.74 3il2 h ILE 74 Cb 2.01 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 3il2 h ILE 74 CO 0.24 0.33 -0.08 0.18 0.00 0.00 0.00 178.15 178.82 3il2 n LEU 75 N -4.25 0.28 -0.02 1.44 4.77 -0.03 -4.91 117.00 114.28 3il2 n LEU 75 Ca 0.04 0.12 -0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3il2 n LEU 75 Cb 0.25 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3il2 n LEU 75 CO 0.41 0.05 -0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3il2 n GLY 76 N 1.29 0.40 0.35 -0.72 0.00 -1.01 -4.89 105.19 100.60 3il2 n GLY 76 Ca 0.14 -1.07 0.12 0.00 0.00 0.00 0.00 46.02 45.21 3il2 n GLY 76 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3il2 n LEU 77 N -0.03 1.06 -0.67 0.99 4.77 0.65 -3.84 117.00 119.93 3il2 n LEU 77 Ca -0.00 -0.41 0.02 0.00 -0.03 0.00 0.00 56.01 55.59 3il2 n LEU 77 Cb 0.04 -0.04 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 3il2 n LEU 77 CO 0.00 0.20 0.43 -0.46 -1.33 0.00 0.00 177.39 176.24 3il2 n ASN 78 N -0.12 1.71 -3.66 -1.43 6.94 -1.02 -4.69 115.26 112.99 3il2 n ASN 78 Ca 0.18 -2.15 -0.16 0.00 -0.02 0.00 0.00 54.58 52.43 3il2 n ASN 78 Cb 0.25 -0.42 -0.08 0.00 -2.36 0.00 0.00 39.78 37.17 3il2 n ASN 78 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3il2 s ARG 79 N -1.49 1.57 -0.45 -3.83 1.70 -1.25 -5.09 118.95 110.10 3il2 s ARG 79 Ca 0.11 -1.85 -0.06 0.00 -0.47 0.00 0.00 55.73 53.46 3il2 s ARG 79 Cb 0.08 0.32 0.12 0.00 -0.57 0.00 0.00 34.95 34.90 3il2 s ARG 79 CO 0.04 -0.57 0.29 0.21 -1.08 0.00 0.00 175.30 174.20 3il2 s LYS 80 N -3.68 2.29 0.34 3.89 2.20 -1.26 -4.36 119.74 119.15 3il2 s LYS 80 Ca 0.39 -1.82 -0.27 0.00 -0.36 0.00 0.00 55.97 53.91 3il2 s LYS 80 Cb 0.04 -3.78 -0.09 0.00 -1.51 0.00 0.00 37.83 32.48 3il2 s LYS 80 CO 0.21 -1.15 1.07 -1.58 -0.36 0.00 0.00 175.35 173.55 3il2 s TRP 81 N 1.21 3.44 -0.20 4.03 0.52 0.19 -4.86 118.94 123.27 3il2 s TRP 81 Ca 0.07 1.68 -0.13 0.00 0.02 0.00 0.00 56.10 57.75 3il2 s TRP 81 Cb -0.24 -3.20 -0.05 0.00 -1.15 0.00 0.00 33.47 28.83 3il2 s TRP 81 CO -0.02 -0.55 0.25 0.20 0.02 0.00 0.00 176.95 176.85 3il2 s GLY 82 N -1.22 2.09 0.32 0.98 0.00 -1.26 0.19 107.32 108.41 3il2 s GLY 82 Ca 0.51 -0.63 0.10 0.00 0.00 0.00 0.00 44.72 44.70 3il2 s GLY 82 CO 0.34 0.46 -0.08 1.08 0.00 0.00 0.00 173.10 174.90 3il2 s LEU 83 N 0.80 2.83 0.08 0.66 1.43 0.38 -1.60 118.68 123.26 3il2 s LEU 83 Ca 0.13 -1.02 -0.10 0.00 -1.03 0.00 0.00 54.13 52.11 3il2 s LEU 83 Cb -0.13 -1.23 0.00 0.00 0.03 0.00 0.00 46.19 44.87 3il2 s LEU 83 CO 0.04 -0.12 0.22 0.00 0.23 0.00 0.00 176.35 176.71 3il2 s ILE 85 N -3.60 1.92 -0.23 0.00 1.01 -0.53 -0.69 121.20 119.08 3il2 s ILE 85 Ca 0.03 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 59.69 3il2 s ILE 85 Cb 0.03 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.81 3il2 s ILE 85 CO -0.10 0.53 0.00 -0.69 0.00 0.00 0.00 174.94 174.68 3il2 s VAL 86 N 0.48 3.78 0.00 2.92 1.01 -0.69 -0.03 120.40 127.87 3il2 s VAL 86 Ca -0.16 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3il2 s VAL 86 Cb -0.17 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.47 3il2 s VAL 86 CO 0.06 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3il2 n GLY 87 N 4.75 2.11 0.00 4.51 0.00 -0.53 -1.37 105.19 114.66 3il2 n GLY 87 Ca -0.17 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.92 3il2 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3il2 n GLY 89 N 1.79 -0.10 0.22 -0.02 0.00 -1.26 -3.62 105.19 102.20 3il2 n GLY 89 Ca 0.00 -2.11 -0.06 0.00 0.00 0.00 0.00 46.02 43.85 3il2 n GLY 89 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3il2 h ASP 90 N 0.00 -0.57 -0.14 1.61 5.19 -1.98 0.20 116.42 120.73 3il2 h ASP 90 Ca 0.00 0.14 -0.03 0.00 -0.62 0.00 0.00 57.03 56.51 3il2 h ASP 90 Cb 0.00 0.32 -0.00 0.00 0.18 0.00 0.00 39.33 39.82 3il2 h ASP 90 CO 0.00 -0.20 -0.04 0.25 -3.12 0.00 0.00 179.24 176.13 3il2 h LEU 91 N -0.10 0.28 -0.81 1.55 5.85 -1.92 0.70 115.31 120.87 3il2 h LEU 91 Ca 0.19 -0.38 0.12 0.00 0.84 0.00 0.00 57.88 58.64 3il2 h LEU 91 Cb 0.38 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 3il2 h LEU 91 CO -0.44 0.60 0.43 1.23 -0.34 0.00 0.00 178.44 179.92 3il2 h GLY 92 N -0.03 1.28 0.60 3.75 0.00 -1.52 0.18 103.07 107.32 3il2 h GLY 92 Ca 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 3il2 h GLY 92 CO 0.02 0.05 -0.01 1.76 0.00 0.00 0.00 176.54 178.35 3il2 h SER 93 N 0.68 0.06 -0.27 0.19 0.02 -0.48 -0.94 113.55 112.80 3il2 h SER 93 Ca 0.42 -0.43 0.06 0.00 -0.84 0.00 0.00 61.79 61.00 3il2 h SER 93 Cb 0.49 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.94 3il2 h SER 93 CO -0.30 0.48 -0.15 0.00 -1.14 0.00 0.00 176.83 175.71 3il2 h ALA 94 N 0.58 0.06 -0.80 3.77 0.00 -0.24 -1.49 119.26 121.15 3il2 h ALA 94 Ca 0.01 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3il2 h ALA 94 Cb 0.45 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 3il2 h ALA 94 CO 0.00 -0.56 0.50 -0.07 0.00 0.00 0.00 179.25 179.13 3il2 h LEU 95 N -0.12 0.80 -2.05 0.00 3.38 -0.62 -1.69 115.31 115.01 3il2 h LEU 95 Ca 0.15 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.19 3il2 h LEU 95 Cb 0.34 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3il2 h LEU 95 CO -0.35 0.54 0.17 0.00 0.09 0.00 0.00 178.44 178.88 3il2 h ALA 96 N 1.36 2.14 -0.37 1.53 0.00 -0.14 -1.43 119.26 122.35 3il2 h ALA 96 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3il2 h ALA 96 Cb 0.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3il2 h ALA 96 CO -0.14 -0.28 0.00 -0.25 0.00 0.00 0.00 179.25 178.58 3il2 n ASP 97 N -4.35 3.16 -4.68 0.00 9.92 -0.70 -4.78 116.55 115.11 3il2 n ASP 97 Ca 0.02 -1.91 -0.44 0.00 -0.53 0.00 0.00 54.79 51.93 3il2 n ASP 97 Cb 0.31 -0.24 -0.03 0.00 -0.64 0.00 0.00 41.12 40.52 3il2 n ASP 97 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3il2 n TYR 98 N 1.12 2.54 -2.13 1.24 9.36 -0.54 -4.89 117.16 123.86 3il2 n TYR 98 Ca 0.16 -0.09 -0.39 0.00 3.32 0.00 0.00 57.90 60.89 3il2 n TYR 98 Cb 0.51 -2.71 0.03 0.00 -0.63 0.00 0.00 39.34 36.55 3il2 n TYR 98 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3il2 n PRO 99 N 5.62 3.41 -0.69 2.98 -0.04 -1.26 -4.51 135.00 140.50 3il2 n PRO 99 Ca 0.19 -3.86 -0.01 0.00 -0.04 0.00 0.00 63.50 59.78 3il2 n PRO 99 Cb 0.35 -2.31 -0.01 0.00 -0.04 0.00 0.00 33.50 31.49 3il2 n PRO 99 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3il2 n GLY 100 N -0.42 0.78 0.19 0.55 0.00 -1.26 -4.91 105.19 100.12 3il2 n GLY 100 Ca 0.51 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 3il2 n GLY 100 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3il2 h PHE 101 N 0.10 0.70 0.00 1.61 -1.00 -1.90 -3.50 116.94 112.95 3il2 h PHE 101 Ca -0.13 -0.19 0.00 0.00 2.81 0.00 0.00 57.97 60.46 3il2 h PHE 101 Cb 1.26 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 40.67 3il2 h PHE 101 CO -0.13 0.87 0.00 0.41 -1.61 0.00 0.00 178.31 177.85 3il2 n GLY 102 N 0.05 -3.59 0.16 -1.45 0.00 -1.26 -4.46 105.19 94.64 3il2 n GLY 102 Ca -0.04 -2.02 0.13 0.00 0.00 0.00 0.00 46.02 44.09 3il2 n GLY 102 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3il2 h GLU 103 N 0.00 0.00 0.00 1.61 4.11 -1.96 -3.22 114.58 115.11 3il2 h GLU 103 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3il2 h GLU 103 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3il2 h GLU 103 CO 0.00 0.00 -0.03 0.77 0.07 0.00 0.00 179.01 179.82 3il2 h SER 104 N 0.00 0.00 -3.20 3.06 0.02 -1.79 -3.43 113.55 108.21 3il2 h SER 104 Ca 0.00 -0.01 -0.52 0.00 -0.84 0.00 0.00 61.79 60.42 3il2 h SER 104 Cb 0.47 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 62.64 3il2 h SER 104 CO 0.00 0.00 -0.80 -0.36 -1.14 0.00 0.00 176.83 174.54 3il2 s PHE 105 N -3.12 1.41 -0.10 3.45 0.40 -1.22 0.54 117.98 119.33 3il2 s PHE 105 Ca 0.10 -0.71 0.03 0.00 -0.60 0.00 0.00 56.93 55.75 3il2 s PHE 105 Cb 0.11 -1.19 -0.01 0.00 0.51 0.00 0.00 43.02 42.45 3il2 s PHE 105 CO 0.62 -0.50 -0.21 -2.00 0.70 0.00 0.00 175.22 173.82 3il2 s GLU 106 N 1.73 3.07 -0.27 0.44 2.12 0.13 -4.61 118.70 121.32 3il2 s GLU 106 Ca 0.05 -0.83 -0.27 0.00 0.36 0.00 0.00 54.97 54.28 3il2 s GLU 106 Cb -0.13 -2.37 0.01 0.00 0.26 0.00 0.00 34.13 31.90 3il2 s GLU 106 CO -0.08 0.22 0.94 -0.51 -0.54 0.00 0.00 175.26 175.29 3il2 s LEU 107 N 0.27 4.06 0.00 2.70 1.43 -1.26 0.14 118.68 126.02 3il2 s LEU 107 Ca -0.15 1.08 0.01 0.00 -1.03 0.00 0.00 54.13 54.04 3il2 s LEU 107 Cb -0.17 -3.35 0.02 0.00 0.03 0.00 0.00 46.19 42.72 3il2 s LEU 107 CO 0.08 -0.66 0.96 0.54 0.23 0.00 0.00 176.35 177.50 3il2 n ARG 108 N 6.32 2.58 -3.57 1.70 1.74 0.14 -4.89 116.66 120.68 3il2 n ARG 108 Ca 0.09 -1.43 -0.10 0.00 -0.77 0.00 0.00 57.85 55.63 3il2 n ARG 108 Cb 0.47 -1.02 -0.05 0.00 -1.02 0.00 0.00 32.46 30.85 3il2 n ARG 108 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3il2 s GLY 109 N -0.90 -0.30 -0.12 -0.13 0.00 -1.20 -5.00 107.32 99.68 3il2 s GLY 109 Ca 0.01 1.90 -0.04 0.00 0.00 0.00 0.00 44.72 46.59 3il2 s GLY 109 CO 0.01 0.95 0.23 -1.36 0.00 0.00 0.00 173.10 172.93 3il2 s PHE 110 N -1.34 -0.34 0.23 1.90 0.40 -1.26 -1.46 117.98 116.11 3il2 s PHE 110 Ca -0.01 0.82 0.10 0.00 -0.60 0.00 0.00 56.93 57.23 3il2 s PHE 110 Cb -0.00 -0.13 -0.05 0.00 0.51 0.00 0.00 43.02 43.35 3il2 s PHE 110 CO 0.01 -0.34 -0.17 -0.06 0.70 0.00 0.00 175.22 175.35 3il2 s PHE 111 N 2.37 1.96 0.04 0.36 0.40 0.95 -0.14 117.98 123.93 3il2 s PHE 111 Ca 0.02 -0.46 -0.05 0.00 -0.60 0.00 0.00 56.93 55.84 3il2 s PHE 111 Cb -0.12 -0.89 0.02 0.00 0.51 0.00 0.00 43.02 42.53 3il2 s PHE 111 CO -0.08 0.49 0.25 -3.47 0.70 0.00 0.00 175.22 173.12 3il2 n ASP 112 N -0.37 -0.40 0.00 1.36 4.64 -0.40 -1.45 116.55 119.94 3il2 n ASP 112 Ca -0.08 -1.20 0.00 0.00 -1.38 0.00 0.00 54.79 52.13 3il2 n ASP 112 Cb 0.60 0.65 0.00 0.00 -1.04 0.00 0.00 41.12 41.33 3il2 n ASP 112 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 3il2 n VAL 113 N -0.18 0.00 -1.92 5.18 0.24 -1.26 -1.40 118.33 118.99 3il2 n VAL 113 Ca -0.00 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.34 61.77 3il2 n VAL 113 Cb 0.14 0.61 -0.03 0.00 -1.47 0.00 0.00 33.84 33.09 3il2 n VAL 113 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3il2 s ASP 114 N -0.63 6.57 0.34 -1.34 -1.08 -1.26 -4.88 116.67 114.38 3il2 s ASP 114 Ca 0.00 2.65 0.06 0.00 -0.52 0.00 0.00 52.55 54.74 3il2 s ASP 114 Cb 0.00 -2.60 0.62 0.00 -1.46 0.00 0.00 42.92 39.49 3il2 s ASP 114 CO 0.00 -0.83 1.85 -0.65 0.52 0.00 0.00 175.17 176.06 3il2 h PRO 115 N 6.60 0.40 0.00 4.34 0.11 -1.97 -2.11 132.00 139.37 3il2 h PRO 115 Ca -0.43 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3il2 h PRO 115 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3il2 h PRO 115 CO 0.90 0.52 0.00 0.93 -0.21 0.00 0.00 178.00 180.14 3il2 h GLU 116 N 0.38 0.00 0.00 1.05 4.39 -2.04 -3.29 114.58 115.07 3il2 h GLU 116 Ca 0.07 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 59.39 3il2 h GLU 116 Cb 0.43 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.01 3il2 h GLU 116 CO 0.02 0.00 -2.47 1.63 -1.16 0.00 0.00 179.01 177.03 3il2 n LYS 117 N -2.80 0.65 -1.97 2.33 5.02 -0.97 -4.82 118.16 115.61 3il2 n LYS 117 Ca 0.01 0.14 -0.39 0.00 -2.02 0.00 0.00 58.31 56.06 3il2 n LYS 117 Cb 0.30 -1.52 0.01 0.00 -0.02 0.00 0.00 35.03 33.80 3il2 n LYS 117 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3il2 s VAL 118 N -2.52 2.46 0.00 -0.18 1.01 -0.83 -1.31 120.40 119.03 3il2 s VAL 118 Ca -0.33 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.02 3il2 s VAL 118 Cb 0.09 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.27 3il2 s VAL 118 CO 0.62 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.35 3il2 n GLY 119 N 0.62 1.98 3.73 4.51 0.00 0.32 -4.96 105.19 111.39 3il2 n GLY 119 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3il2 n GLY 119 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3il2 s ARG 120 N -0.37 4.59 0.40 1.61 3.52 -0.43 -4.77 118.95 123.51 3il2 s ARG 120 Ca 0.00 1.67 -0.23 0.00 -0.13 0.00 0.00 55.73 57.04 3il2 s ARG 120 Cb 0.00 -3.31 -0.10 0.00 -1.56 0.00 0.00 34.95 29.98 3il2 s ARG 120 CO 0.00 0.06 0.97 -1.25 -0.81 0.00 0.00 175.30 174.26 3il2 s PRO 121 N -0.12 4.30 0.17 5.12 0.04 -1.26 -0.57 135.00 142.68 3il2 s PRO 121 Ca 0.50 1.25 -0.05 0.00 0.04 0.00 0.00 61.00 62.74 3il2 s PRO 121 Cb -0.28 -2.42 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 3il2 s PRO 121 CO 0.33 0.02 0.20 0.14 0.04 0.00 0.00 177.00 177.74 3il2 s VAL 122 N -1.92 0.06 0.02 -0.36 -7.23 0.11 -4.89 120.40 106.19 3il2 s VAL 122 Ca 0.58 -1.69 -0.31 0.00 -1.81 0.00 0.00 61.98 58.75 3il2 s VAL 122 Cb -0.14 -2.09 -0.10 0.00 0.56 0.00 0.00 36.38 34.61 3il2 s VAL 122 CO 0.19 -0.25 1.93 -1.14 -0.31 0.00 0.00 175.10 175.52 3il2 n ARG 123 N -0.21 2.70 -0.53 4.82 0.63 -1.26 -0.72 116.66 122.09 3il2 n ARG 123 Ca -0.04 0.99 0.00 0.00 -0.92 0.00 0.00 57.85 57.88 3il2 n ARG 123 Cb 0.64 -2.91 0.00 0.00 0.45 0.00 0.00 32.46 30.64 3il2 n ARG 123 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3il2 n GLY 124 N 4.47 0.74 0.00 5.14 0.00 -1.26 -4.92 105.19 109.36 3il2 n GLY 124 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3il2 n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3il2 n GLY 125 N -2.40 0.04 3.24 -0.02 0.00 0.11 -4.83 105.19 101.33 3il2 n GLY 125 Ca 0.00 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 3il2 n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3il2 s VAL 126 N -3.10 0.05 0.19 1.61 0.11 -1.26 0.06 120.40 118.05 3il2 s VAL 126 Ca 0.00 -0.40 -0.30 0.00 -2.93 0.00 0.00 61.98 58.35 3il2 s VAL 126 Cb 0.00 -0.61 -0.08 0.00 -1.53 0.00 0.00 36.38 34.16 3il2 s VAL 126 CO 0.00 -0.22 1.28 -0.63 -3.33 0.00 0.00 175.10 172.20 3il2 s ILE 127 N -1.13 3.35 0.14 7.04 1.01 0.26 -4.35 121.20 127.53 3il2 s ILE 127 Ca -0.12 1.10 0.08 0.00 0.00 0.00 0.00 60.65 61.71 3il2 s ILE 127 Cb -0.05 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3il2 s ILE 127 CO 0.04 0.16 -0.17 -1.61 0.00 0.00 0.00 174.94 173.36 3il2 s GLU 128 N -0.04 1.17 0.35 2.79 2.02 0.80 -0.52 118.70 125.26 3il2 s GLU 128 Ca 0.56 -1.33 -0.28 0.00 0.02 0.00 0.00 54.97 53.94 3il2 s GLU 128 Cb -0.35 -1.18 -0.10 0.00 0.10 0.00 0.00 34.13 32.60 3il2 s GLU 128 CO 0.37 0.24 1.31 -1.58 0.02 0.00 0.00 175.26 175.62 3il2 s HIS 129 N -2.02 2.97 0.63 1.61 5.65 -1.26 -1.27 115.29 121.61 3il2 s HIS 129 Ca 0.13 1.40 0.32 0.00 0.25 0.00 0.00 55.06 57.16 3il2 s HIS 129 Cb -0.06 -3.69 1.79 0.00 -1.18 0.00 0.00 32.58 29.44 3il2 s HIS 129 CO 0.05 -1.96 2.07 -0.39 -0.65 0.00 0.00 174.74 173.87 3il2 h VAL 130 N 2.89 0.20 0.00 0.89 -1.51 -1.59 -0.04 116.25 117.09 3il2 h VAL 130 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 3il2 h VAL 130 Cb 1.23 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 3il2 h VAL 130 CO 0.65 0.00 0.00 0.44 -1.23 0.00 0.00 177.57 177.43 3il2 h ASP 131 N 0.00 0.00 -0.09 4.19 3.45 -1.89 -0.69 116.42 121.39 3il2 h ASP 131 Ca 0.05 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.51 3il2 h ASP 131 Cb 0.52 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.29 3il2 h ASP 131 CO -0.00 0.00 0.00 0.18 -1.57 0.00 0.00 179.24 177.85 3il2 n LEU 132 N -2.31 2.15 -0.29 1.55 4.32 -0.03 -4.37 117.00 118.03 3il2 n LEU 132 Ca -0.01 -0.78 -0.04 0.00 -0.02 0.00 0.00 56.01 55.16 3il2 n LEU 132 Cb 0.06 -0.05 0.11 0.00 -1.62 0.00 0.00 43.42 41.92 3il2 n LEU 132 CO 0.12 0.39 1.13 -0.07 -1.22 0.00 0.00 177.39 177.73 3il2 h LEU 133 N 3.19 1.06 -2.66 2.23 3.38 -1.30 -2.14 115.31 119.07 3il2 h LEU 133 Ca 0.00 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3il2 h LEU 133 Cb 0.68 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3il2 h LEU 133 CO 0.00 0.88 0.08 -0.65 0.09 0.00 0.00 178.44 178.84 3il2 h PRO 134 N 1.16 0.00 -0.01 1.13 0.11 -1.81 -0.15 132.00 132.44 3il2 h PRO 134 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 3il2 h PRO 134 Cb 0.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.21 3il2 h PRO 134 CO -0.04 0.00 -0.72 1.04 -0.21 0.00 0.00 178.00 178.08 3il2 n GLN 135 N -3.27 0.62 0.00 1.05 3.00 -0.85 -4.49 117.38 113.45 3il2 n GLN 135 Ca -0.02 -0.51 0.00 0.00 -0.01 0.00 0.00 57.00 56.46 3il2 n GLN 135 Cb 0.15 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.90 3il2 n GLN 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3il2 n ARG 136 N -0.74 3.47 -0.08 -1.09 5.12 -0.22 -4.86 116.66 118.25 3il2 n ARG 136 Ca 0.07 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.88 3il2 n ARG 136 Cb 0.40 -0.71 -0.06 0.00 -1.16 0.00 0.00 32.46 30.93 3il2 n ARG 136 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3il2 h VAL 137 N 0.00 0.48 -1.49 1.55 2.07 -1.37 -3.39 116.25 114.10 3il2 h VAL 137 Ca 0.00 -1.53 -0.73 0.00 0.82 0.00 0.00 66.70 65.26 3il2 h VAL 137 Cb 0.00 1.08 0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3il2 h VAL 137 CO 0.00 0.16 0.62 -2.65 0.02 0.00 0.00 177.57 175.72 3il2 n PRO 138 N -4.58 0.93 -0.29 1.57 -0.02 -1.26 -1.06 135.00 130.29 3il2 n PRO 138 Ca -0.15 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3il2 n PRO 138 Cb 0.39 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3il2 n PRO 138 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3il2 n GLY 139 N 3.23 1.73 0.00 -1.23 0.00 -1.26 -4.71 105.19 102.96 3il2 n GLY 139 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3il2 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3il2 n ARG 140 N -2.00 2.15 -3.98 1.61 1.74 -0.28 -5.05 116.66 110.85 3il2 n ARG 140 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 3il2 n ARG 140 Cb 0.00 -0.84 -0.16 0.00 -1.02 0.00 0.00 32.46 30.44 3il2 n ARG 140 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3il2 s ILE 141 N -1.68 1.57 -0.20 0.55 1.01 -0.22 -4.35 121.20 117.89 3il2 s ILE 141 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.71 3il2 s ILE 141 Cb 0.00 -1.65 -0.21 0.00 0.01 0.00 0.00 42.46 40.61 3il2 s ILE 141 CO 0.00 0.18 0.02 -0.62 0.00 0.00 0.00 174.94 174.52 3il2 n GLU 142 N 4.71 0.69 -5.08 2.79 4.71 -0.63 -4.62 120.64 123.22 3il2 n GLU 142 Ca -0.14 0.18 -0.32 0.00 -0.01 0.00 0.00 57.16 56.87 3il2 n GLU 142 Cb 0.47 -1.59 -0.15 0.00 -1.01 0.00 0.00 31.44 29.16 3il2 n GLU 142 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 3il2 s ILE 143 N -2.53 2.55 -0.12 -3.67 1.01 -0.81 -0.83 121.20 116.79 3il2 s ILE 143 Ca -0.28 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.49 3il2 s ILE 143 Cb 0.08 -1.96 -0.00 0.00 0.01 0.00 0.00 42.46 40.59 3il2 s ILE 143 CO 0.68 0.58 -0.21 0.00 0.00 0.00 0.00 174.94 175.99 3il2 s ALA 144 N -0.45 2.29 -0.59 9.38 0.00 0.23 -2.20 121.76 130.43 3il2 s ALA 144 Ca 0.05 -0.99 -0.23 0.00 0.00 0.00 0.00 51.96 50.79 3il2 s ALA 144 Cb -0.12 -0.95 0.05 0.00 0.00 0.00 0.00 23.12 22.10 3il2 s ALA 144 CO 0.01 0.19 0.93 -0.51 0.00 0.00 0.00 175.76 176.39 3il2 s LEU 145 N 0.47 4.24 -0.40 0.00 1.02 0.14 -0.96 118.68 123.18 3il2 s LEU 145 Ca -0.14 -0.60 -0.25 0.00 0.02 0.00 0.00 54.13 53.17 3il2 s LEU 145 Cb -0.17 -2.66 0.02 0.00 0.02 0.00 0.00 46.19 43.39 3il2 s LEU 145 CO 0.06 -1.28 0.87 -0.22 0.02 0.00 0.00 176.35 175.79 3il2 s LEU 146 N 3.92 4.07 -0.08 1.79 2.96 -0.18 -1.70 118.68 129.46 3il2 s LEU 146 Ca 0.27 0.30 0.13 0.00 -0.22 0.00 0.00 54.13 54.61 3il2 s LEU 146 Cb -0.14 -3.14 0.25 0.00 0.50 0.00 0.00 46.19 43.66 3il2 s LEU 146 CO 0.16 -0.88 1.12 0.35 -1.32 0.00 0.00 176.35 175.78 3il2 n THR 147 N 6.07 0.97 -1.52 3.68 -2.24 -0.47 -1.46 114.28 119.30 3il2 n THR 147 Ca 0.05 -1.49 -0.29 0.00 -2.27 0.00 0.00 64.05 60.04 3il2 n THR 147 Cb 0.48 0.25 0.12 0.00 -2.10 0.00 0.00 70.33 69.08 3il2 n THR 147 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3il2 s VAL 148 N -1.46 2.52 0.94 2.28 -7.23 -1.24 -4.80 120.40 111.41 3il2 s VAL 148 Ca 0.24 0.17 -0.12 0.00 -1.81 0.00 0.00 61.98 60.45 3il2 s VAL 148 Cb 0.23 -2.90 0.06 0.00 0.56 0.00 0.00 36.38 34.33 3il2 s VAL 148 CO -0.04 -0.22 0.59 -2.65 -0.31 0.00 0.00 175.10 172.47 3il2 n PRO 149 N -3.63 -0.31 -0.02 4.82 -0.02 -1.26 -4.72 135.00 129.87 3il2 n PRO 149 Ca 0.07 -0.04 -0.09 0.00 -2.02 0.00 0.00 63.50 61.42 3il2 n PRO 149 Cb 0.58 -1.98 -0.02 0.00 -0.02 0.00 0.00 33.50 32.05 3il2 n PRO 149 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3il2 h ARG 150 N -1.61 -0.22 0.00 -0.52 1.12 -1.98 -2.36 114.38 108.82 3il2 h ARG 150 Ca -0.43 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.45 3il2 h ARG 150 Cb 1.28 0.05 0.00 0.00 -0.01 0.00 0.00 29.97 31.29 3il2 h ARG 150 CO 0.36 -0.14 0.00 -0.85 -3.11 0.00 0.00 179.97 176.23 3il2 n GLU 151 N -5.33 0.03 0.00 0.20 0.00 -1.26 -2.21 120.64 112.07 3il2 n GLU 151 Ca -0.02 0.45 0.04 0.00 0.00 0.00 0.00 57.16 57.64 3il2 n GLU 151 Cb 0.25 -1.59 -0.01 0.00 0.00 0.00 0.00 31.44 30.09 3il2 n GLU 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3il2 n ALA 152 N -1.55 2.84 0.07 -1.84 0.00 -0.91 -4.79 120.51 114.33 3il2 n ALA 152 Ca 0.01 -0.38 -0.16 0.00 0.00 0.00 0.00 53.44 52.90 3il2 n ALA 152 Cb 0.06 -0.31 -0.10 0.00 0.00 0.00 0.00 19.45 19.10 3il2 n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3il2 h ALA 153 N 1.48 -0.97 -0.64 0.00 0.00 -1.14 -0.29 119.26 117.70 3il2 h ALA 153 Ca 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 54.94 3il2 h ALA 153 Cb 0.28 0.94 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 3il2 h ALA 153 CO 0.00 -1.12 0.16 0.37 0.00 0.00 0.00 179.25 178.66 3il2 h GLN 154 N -0.70 0.28 -0.30 0.00 5.75 -1.87 0.19 115.11 118.45 3il2 h GLN 154 Ca 0.01 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 3il2 h GLN 154 Cb 0.74 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 3il2 h GLN 154 CO -0.34 0.19 0.17 0.87 -2.65 0.00 0.00 178.83 177.06 3il2 h LYS 155 N 0.29 0.42 -0.73 1.69 1.57 -1.79 0.22 116.57 118.24 3il2 h LYS 155 Ca 0.34 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 3il2 h LYS 155 Cb 0.52 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 3il2 h LYS 155 CO -0.42 0.37 0.38 0.00 -0.57 0.00 0.00 179.45 179.21 3il2 h ALA 156 N 1.04 1.29 -0.59 3.86 0.00 0.03 -1.62 119.26 123.27 3il2 h ALA 156 Ca 0.11 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3il2 h ALA 156 Cb 0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3il2 h ALA 156 CO -0.02 0.56 0.10 0.00 0.00 0.00 0.00 179.25 179.89 3il2 h ALA 157 N 1.39 1.05 -0.80 0.00 0.00 0.06 -0.72 119.26 120.24 3il2 h ALA 157 Ca 0.26 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3il2 h ALA 157 Cb 0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3il2 h ALA 157 CO -0.04 0.61 0.34 -0.44 0.00 0.00 0.00 179.25 179.72 3il2 h ASP 158 N 0.90 1.08 -0.38 0.00 3.32 0.21 -0.86 116.42 120.70 3il2 h ASP 158 Ca 0.18 -0.16 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 3il2 h ASP 158 Cb 0.39 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3il2 h ASP 158 CO 0.01 0.95 -0.21 -0.07 -1.72 0.00 0.00 179.24 178.19 3il2 h LEU 159 N 1.16 0.84 -0.40 1.55 3.38 -0.80 -1.83 115.31 119.21 3il2 h LEU 159 Ca 0.27 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3il2 h LEU 159 Cb 0.19 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3il2 h LEU 159 CO -0.03 1.08 0.12 -0.07 0.09 0.00 0.00 178.44 179.63 3il2 h LEU 160 N 0.61 0.59 -0.04 1.67 3.38 -0.91 -1.05 115.31 119.57 3il2 h LEU 160 Ca 0.08 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3il2 h LEU 160 Cb 0.77 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 3il2 h LEU 160 CO 0.06 0.65 -0.24 0.58 0.09 0.00 0.00 178.44 179.58 3il2 h VAL 161 N 0.50 0.44 -0.89 1.22 2.07 -1.09 -0.09 116.25 118.41 3il2 h VAL 161 Ca 0.13 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.82 3il2 h VAL 161 Cb 0.27 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.41 3il2 h VAL 161 CO -0.00 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.16 3il2 h ALA 162 N 0.51 1.99 0.00 1.67 0.00 -1.08 0.26 119.26 122.61 3il2 h ALA 162 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3il2 h ALA 162 Cb 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3il2 h ALA 162 CO -0.24 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 178.75 3il2 n ALA 163 N -2.47 2.21 -1.25 0.00 0.00 -0.10 -4.89 120.51 114.02 3il2 n ALA 163 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3il2 n ALA 163 Cb 0.57 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3il2 n ALA 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3il2 n GLY 164 N 0.74 1.03 3.80 0.00 0.00 0.90 -4.07 105.19 107.59 3il2 n GLY 164 Ca 0.11 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 3il2 n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3il2 s ILE 165 N -2.18 4.01 -0.09 -0.61 2.07 -1.04 -4.82 121.20 118.53 3il2 s ILE 165 Ca 0.00 1.42 0.10 0.00 -1.41 0.00 0.00 60.65 60.76 3il2 s ILE 165 Cb 0.00 -3.67 -0.24 0.00 0.13 0.00 0.00 42.46 38.68 3il2 s ILE 165 CO 0.00 -0.11 0.47 0.29 -1.91 0.00 0.00 174.94 173.68 3il2 n LYS 166 N -0.29 0.66 -3.71 3.50 4.76 -0.01 -4.85 118.16 118.23 3il2 n LYS 166 Ca 0.06 0.23 -0.13 0.00 -2.87 0.00 0.00 58.31 55.59 3il2 n LYS 166 Cb 0.51 -1.72 -0.09 0.00 -1.84 0.00 0.00 35.03 31.89 3il2 n LYS 166 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3il2 s GLY 167 N -5.31 -0.37 -0.13 0.72 0.00 -0.46 -1.75 107.32 100.01 3il2 s GLY 167 Ca -0.10 1.38 -0.01 0.00 0.00 0.00 0.00 44.72 46.00 3il2 s GLY 167 CO 0.81 1.20 -0.11 -0.42 0.00 0.00 0.00 173.10 174.57 3il2 s ILE 168 N 0.28 3.20 -0.55 0.90 1.01 -0.08 -0.60 121.20 125.36 3il2 s ILE 168 Ca -0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 60.65 59.92 3il2 s ILE 168 Cb -0.03 -2.36 0.14 0.00 0.01 0.00 0.00 42.46 40.22 3il2 s ILE 168 CO 0.00 0.52 0.46 -0.22 0.00 0.00 0.00 174.94 175.71 3il2 s LEU 169 N 0.35 6.02 -0.27 2.97 2.96 -0.13 -1.12 118.68 129.46 3il2 s LEU 169 Ca -0.10 -1.99 -0.24 0.00 -0.22 0.00 0.00 54.13 51.58 3il2 s LEU 169 Cb -0.16 -2.11 -0.00 0.00 0.50 0.00 0.00 46.19 44.42 3il2 s LEU 169 CO 0.05 -0.74 0.82 0.21 -1.32 0.00 0.00 176.35 175.37 3il2 s ASN 170 N 2.94 6.77 0.00 3.68 2.47 0.13 -1.01 114.94 129.92 3il2 s ASN 170 Ca 0.06 0.90 0.20 0.00 0.42 0.00 0.00 52.86 54.45 3il2 s ASN 170 Cb -0.26 -2.43 0.16 0.00 -1.45 0.00 0.00 41.25 37.28 3il2 s ASN 170 CO -0.00 -0.56 1.14 0.49 -3.72 0.00 0.00 177.10 174.45 3il2 n PHE 171 N 6.10 0.01 -3.31 0.43 3.01 -0.54 -1.04 117.46 122.12 3il2 n PHE 171 Ca 0.05 -0.01 -0.38 0.00 1.01 0.00 0.00 57.45 58.12 3il2 n PHE 171 Cb 0.48 -0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.89 3il2 n PHE 171 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3il2 s ALA 172 N -1.67 3.60 -0.13 4.37 0.00 -1.26 -4.84 121.76 121.83 3il2 s ALA 172 Ca 0.24 -0.01 -0.04 0.00 0.00 0.00 0.00 51.96 52.15 3il2 s ALA 172 Cb 0.17 -2.59 -0.13 0.00 0.00 0.00 0.00 23.12 20.56 3il2 s ALA 172 CO 0.25 0.42 2.19 -0.35 0.00 0.00 0.00 175.76 178.27 3il2 n PRO 173 N 1.63 1.23 -4.05 0.00 -0.04 -1.26 -4.75 135.00 127.75 3il2 n PRO 173 Ca -0.10 -0.67 -0.08 0.00 -0.04 0.00 0.00 63.50 62.61 3il2 n PRO 173 Cb 0.51 -1.87 -0.10 0.00 -0.04 0.00 0.00 33.50 32.00 3il2 n PRO 173 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3il2 s VAL 174 N 2.14 0.19 -0.48 0.52 -7.23 -1.26 -5.09 120.40 109.19 3il2 s VAL 174 Ca 0.37 -1.59 -0.21 0.00 -1.81 0.00 0.00 61.98 58.75 3il2 s VAL 174 Cb 0.16 -1.26 0.04 0.00 0.56 0.00 0.00 36.38 35.88 3il2 s VAL 174 CO -0.00 -0.88 0.69 -0.69 -0.31 0.00 0.00 175.10 173.91 3il2 s VAL 175 N -3.43 4.77 0.48 1.32 1.01 -1.26 -5.03 120.40 118.26 3il2 s VAL 175 Ca 0.02 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 61.68 3il2 s VAL 175 Cb 0.04 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.05 3il2 s VAL 175 CO -0.08 -0.77 1.14 -0.76 0.00 0.00 0.00 175.10 174.62 3il2 s LEU 176 N 2.94 3.94 -0.33 3.92 1.43 -1.26 -5.00 118.68 124.31 3il2 s LEU 176 Ca 0.21 2.22 -0.06 0.00 -1.03 0.00 0.00 54.13 55.46 3il2 s LEU 176 Cb -0.16 -4.35 0.03 0.00 0.03 0.00 0.00 46.19 41.74 3il2 s LEU 176 CO 0.16 -0.95 0.09 -0.70 0.23 0.00 0.00 176.35 175.18 3il2 s GLU 177 N -2.88 2.73 0.05 1.70 2.12 -1.26 -5.09 118.70 116.06 3il2 s GLU 177 Ca 0.66 -1.10 0.01 0.00 0.36 0.00 0.00 54.97 54.90 3il2 s GLU 177 Cb -0.26 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.68 3il2 s GLU 177 CO 0.31 -0.61 -0.06 0.14 -0.54 0.00 0.00 175.26 174.50 3il2 s VAL 178 N 1.42 0.44 0.57 3.70 -7.23 -1.26 -4.88 120.40 113.16 3il2 s VAL 178 Ca -0.01 -1.25 -0.20 0.00 -1.81 0.00 0.00 61.98 58.71 3il2 s VAL 178 Cb -0.19 -0.80 -0.05 0.00 0.56 0.00 0.00 36.38 35.90 3il2 s VAL 178 CO 0.02 -0.55 1.12 -0.81 -0.31 0.00 0.00 175.10 174.58 3il2 n PRO 179 N 1.11 1.22 -0.01 4.82 -0.04 -1.26 -4.85 135.00 135.99 3il2 n PRO 179 Ca -0.20 0.46 0.17 0.00 -0.04 0.00 0.00 63.50 63.89 3il2 n PRO 179 Cb 0.56 -2.31 0.64 0.00 -0.04 0.00 0.00 33.50 32.35 3il2 n PRO 179 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 3il2 h LYS 180 N 0.91 0.10 0.00 0.54 2.10 -2.04 -0.00 116.57 118.18 3il2 h LYS 180 Ca -0.49 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 3il2 h LYS 180 Cb 1.34 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 3il2 h LYS 180 CO 0.54 0.06 0.00 -0.85 -2.00 0.00 0.00 179.45 177.20 3il2 n GLU 181 N -4.42 0.69 -4.33 0.07 0.00 -1.26 -4.63 120.64 106.77 3il2 n GLU 181 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 56.91 3il2 n GLU 181 Cb 0.52 -1.25 -0.14 0.00 0.00 0.00 0.00 31.44 30.57 3il2 n GLU 181 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3il2 s VAL 182 N -2.00 3.35 0.37 3.84 1.01 -0.02 -4.94 120.40 122.02 3il2 s VAL 182 Ca 0.17 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 3il2 s VAL 182 Cb 0.08 -2.47 -0.09 0.00 0.00 0.00 0.00 36.38 33.89 3il2 s VAL 182 CO 0.13 0.48 0.81 0.00 0.00 0.00 0.00 175.10 176.52 3il2 s ALA 183 N 0.83 3.23 -0.01 5.51 0.00 -0.72 -4.82 121.76 125.78 3il2 s ALA 183 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.09 3il2 s ALA 183 Cb -0.15 -2.90 0.02 0.00 0.00 0.00 0.00 23.12 20.09 3il2 s ALA 183 CO 0.01 0.24 0.01 0.08 0.00 0.00 0.00 175.76 176.10 3il2 s VAL 184 N -2.08 0.04 -0.04 0.00 1.01 -1.26 -0.90 120.40 117.17 3il2 s VAL 184 Ca 0.57 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.65 3il2 s VAL 184 Cb -0.10 -0.11 0.01 0.00 0.00 0.00 0.00 36.38 36.18 3il2 s VAL 184 CO 0.17 0.07 -0.08 -1.61 0.00 0.00 0.00 175.10 173.65 3il2 s GLU 185 N 0.58 1.02 -0.04 2.72 0.41 -0.28 -4.98 118.70 118.14 3il2 s GLU 185 Ca -0.05 -0.26 -0.01 0.00 -0.41 0.00 0.00 54.97 54.23 3il2 s GLU 185 Cb -0.08 -0.94 -0.04 0.00 -1.78 0.00 0.00 34.13 31.29 3il2 s GLU 185 CO -0.01 0.05 0.05 -0.80 -0.49 0.00 0.00 175.26 174.06 3il2 s ASN 186 N 0.46 5.56 -0.32 -0.19 0.01 -1.26 0.22 114.94 119.42 3il2 s ASN 186 Ca -0.07 0.17 0.02 0.00 -0.71 0.00 0.00 52.86 52.26 3il2 s ASN 186 Cb -0.11 -1.60 0.09 0.00 0.41 0.00 0.00 41.25 40.04 3il2 s ASN 186 CO 0.01 0.32 0.05 -0.69 -1.51 0.00 0.00 177.10 175.28 3il2 s VAL 187 N -1.07 1.73 -0.47 1.60 1.01 -0.21 -4.93 120.40 118.06 3il2 s VAL 187 Ca 0.19 -1.89 0.01 0.00 0.00 0.00 0.00 61.98 60.29 3il2 s VAL 187 Cb -0.12 -2.24 0.12 0.00 0.00 0.00 0.00 36.38 34.14 3il2 s VAL 187 CO 0.09 -0.56 0.23 -0.62 0.00 0.00 0.00 175.10 174.24 3il2 s ASP 188 N 1.20 4.81 0.19 3.32 3.68 -1.26 -4.37 116.67 124.23 3il2 s ASP 188 Ca 0.08 -2.56 0.05 0.00 2.13 0.00 0.00 52.55 52.25 3il2 s ASP 188 Cb -0.18 -1.72 0.06 0.00 -1.45 0.00 0.00 42.92 39.63 3il2 s ASP 188 CO -0.13 -0.36 1.43 2.19 0.13 0.00 0.00 175.17 178.42 3il2 h PHE 189 N 7.21 0.20 -0.80 -5.34 -0.00 -1.98 -2.24 116.94 114.00 3il2 h PHE 189 Ca -0.06 -0.10 -0.03 0.00 -0.00 0.00 0.00 57.97 57.77 3il2 h PHE 189 Cb 0.97 -0.02 -0.04 0.00 -0.00 0.00 0.00 35.95 36.86 3il2 h PHE 189 CO 0.55 0.89 0.37 -0.07 -0.00 0.00 0.00 178.31 180.05 3il2 h LEU 190 N 0.08 1.05 -0.75 2.10 3.38 -1.97 -0.14 115.31 119.06 3il2 h LEU 190 Ca -0.03 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3il2 h LEU 190 Cb 1.42 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 3il2 h LEU 190 CO 0.12 0.90 0.36 0.00 0.09 0.00 0.00 178.44 179.90 3il2 h ALA 191 N 1.26 0.97 -0.79 1.53 0.00 -1.92 -0.54 119.26 119.77 3il2 h ALA 191 Ca 0.27 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3il2 h ALA 191 Cb 0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3il2 h ALA 191 CO -0.03 0.54 0.30 0.78 0.00 0.00 0.00 179.25 180.84 3il2 h GLY 192 N 1.06 1.27 0.87 0.00 0.00 -0.79 0.12 103.07 105.61 3il2 h GLY 192 Ca 0.26 -0.70 0.01 0.00 0.00 0.00 0.00 47.33 46.90 3il2 h GLY 192 CO -0.03 0.66 -0.04 1.41 0.00 0.00 0.00 176.54 178.54 3il2 h LEU 193 N 1.15 -0.12 -1.44 3.11 3.38 -0.50 0.27 115.31 121.16 3il2 h LEU 193 Ca 0.26 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 3il2 h LEU 193 Cb 0.23 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3il2 h LEU 193 CO -0.02 -0.06 -0.20 0.74 0.09 0.00 0.00 178.44 178.99 3il2 h THR 194 N -0.07 0.61 -0.24 0.22 2.02 -0.78 -0.07 112.91 114.61 3il2 h THR 194 Ca 0.02 -0.92 -0.20 0.00 0.77 0.00 0.00 66.41 66.08 3il2 h THR 194 Cb 0.10 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 3il2 h THR 194 CO -0.06 0.20 -0.63 0.03 0.37 0.00 0.00 175.52 175.43 3il2 h ARG 195 N 0.00 0.86 -0.65 6.66 3.08 0.35 -2.25 114.38 122.42 3il2 h ARG 195 Ca -0.00 -0.60 -0.05 0.00 0.07 0.00 0.00 59.98 59.40 3il2 h ARG 195 Cb 0.58 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 3il2 h ARG 195 CO 0.03 1.22 0.20 -0.07 -1.07 0.00 0.00 179.97 180.28 3il2 h LEU 196 N 0.63 0.96 -0.40 3.04 3.38 0.04 -0.87 115.31 122.08 3il2 h LEU 196 Ca -0.01 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.82 3il2 h LEU 196 Cb 1.25 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 3il2 h LEU 196 CO 0.14 0.91 0.06 -1.28 0.09 0.00 0.00 178.44 178.36 3il2 h SER 197 N 0.95 -0.04 0.12 -0.43 0.87 -0.84 0.07 113.55 114.25 3il2 h SER 197 Ca 0.21 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 3il2 h SER 197 Cb 0.30 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 3il2 h SER 197 CO -0.01 0.02 -0.06 0.15 -0.53 0.00 0.00 176.83 176.40 3il2 h PHE 198 N 0.18 -0.15 -0.87 2.24 3.57 -1.10 -2.77 116.94 118.03 3il2 h PHE 198 Ca 0.20 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.84 3il2 h PHE 198 Cb 0.25 0.05 -0.09 0.00 2.79 0.00 0.00 35.95 38.95 3il2 h PHE 198 CO -0.22 -0.05 0.47 0.00 -2.23 0.00 0.00 178.31 176.28 3il2 h ALA 199 N 0.66 1.32 -0.37 2.41 0.00 -0.66 0.47 119.26 123.09 3il2 h ALA 199 Ca -0.02 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3il2 h ALA 199 Cb 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3il2 h ALA 199 CO 0.03 -0.05 0.09 0.82 0.00 0.00 0.00 179.25 180.13 3il2 h ILE 200 N 0.67 1.18 0.00 0.00 1.08 -0.78 -2.61 117.51 117.04 3il2 h ILE 200 Ca 0.47 -0.62 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 3il2 h ILE 200 Cb 0.64 0.80 0.00 0.00 -3.07 0.00 0.00 36.82 35.19 3il2 h ILE 200 CO -0.35 0.23 -0.43 0.18 -0.69 0.00 0.00 178.15 177.09 3il2 n LEU 201 N -4.33 0.49 -3.20 1.44 4.77 0.02 -4.07 117.00 112.12 3il2 n LEU 201 Ca 0.02 0.18 -0.26 0.00 -0.03 0.00 0.00 56.01 55.92 3il2 n LEU 201 Cb 0.19 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 3il2 n LEU 201 CO 0.38 0.04 0.03 0.59 -1.33 0.00 0.00 177.39 177.10 3il2 n ASN 202 N -1.72 3.35 -0.09 -1.43 3.02 -0.40 -4.90 115.26 113.10 3il2 n ASN 202 Ca 0.05 -3.41 -0.01 0.00 -0.03 0.00 0.00 54.58 51.18 3il2 n ASN 202 Cb 0.37 -0.62 0.25 0.00 -0.61 0.00 0.00 39.78 39.17 3il2 n ASN 202 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3il2 h PRO 203 N 3.62 0.72 -0.12 3.52 0.13 -1.69 0.25 132.00 138.43 3il2 h PRO 203 Ca 0.15 -0.13 -0.16 0.00 -0.87 0.00 0.00 66.00 64.99 3il2 h PRO 203 Cb 0.66 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 3il2 h PRO 203 CO 0.76 0.64 -0.61 -0.22 -0.23 0.00 0.00 178.00 178.34 3il2 h LYS 204 N 0.71 0.41 0.00 0.86 3.64 -1.90 0.36 116.57 120.64 3il2 h LYS 204 Ca 0.16 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 3il2 h LYS 204 Cb 0.23 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3il2 h LYS 204 CO -0.01 0.89 -0.12 2.35 -2.27 0.00 0.00 179.45 180.30 3il2 h TRP 205 N 0.30 0.00 0.00 1.91 7.01 -1.79 -3.56 115.95 119.82 3il2 h TRP 205 Ca -0.01 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.99 3il2 h TRP 205 Cb 1.15 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.21 3il2 h TRP 205 CO 0.04 0.12 0.00 0.54 -2.79 0.00 0.00 178.44 176.35