#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9d s ARG 3 N 0.00 3.89 0.00 0.00 6.06 -1.26 -4.42 118.95 123.23 3i9d s ARG 3 Ca 0.00 0.97 0.00 0.00 -2.50 0.00 0.00 55.73 54.20 3i9d s ARG 3 Cb 0.00 -3.84 0.00 0.00 0.06 0.00 0.00 34.95 31.17 3i9d s ARG 3 CO 0.00 -1.14 0.00 -0.89 -2.50 0.00 0.00 175.30 170.77 3i9d n ILE 4 N 6.32 0.00 -1.15 4.11 2.08 -1.26 -5.01 119.36 124.45 3i9d n ILE 4 Ca 0.13 0.00 -0.45 0.00 0.56 0.00 0.00 62.75 62.99 3i9d n ILE 4 Cb 0.48 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 39.30 3i9d n ILE 4 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i9d n ALA 5 N -3.00 -1.35 -0.84 -1.39 0.00 -1.26 -4.06 120.51 108.60 3i9d n ALA 5 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3i9d n ALA 5 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3i9d n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9d n GLY 6 N 2.30 2.89 0.00 0.00 0.00 -1.26 -3.06 105.19 106.05 3i9d n GLY 6 Ca 0.19 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.51 3i9d n GLY 6 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i9d n VAL 7 N 0.00 0.00 -2.26 1.61 0.31 -1.26 -5.05 118.33 111.69 3i9d n VAL 7 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 3i9d n VAL 7 Cb 0.00 -0.25 -0.03 0.00 -0.91 0.00 0.00 33.84 32.65 3i9d n VAL 7 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3i9d s GLU 8 N -1.31 4.38 -0.08 5.55 0.41 -1.17 -4.71 118.70 121.77 3i9d s GLU 8 Ca 0.00 1.98 -0.15 0.00 -0.41 0.00 0.00 54.97 56.39 3i9d s GLU 8 Cb 0.00 -3.26 0.03 0.00 -1.78 0.00 0.00 34.13 29.13 3i9d s GLU 8 CO 0.00 -0.32 0.37 0.96 -0.49 0.00 0.00 175.26 175.79 3i9d s ILE 9 N 0.75 0.03 0.22 -1.63 -5.25 -1.26 -4.35 121.20 109.71 3i9d s ILE 9 Ca 0.60 -0.22 0.06 0.00 -0.99 0.00 0.00 60.65 60.10 3i9d s ILE 9 Cb -0.35 -0.61 -0.03 0.00 2.95 0.00 0.00 42.46 44.42 3i9d s ILE 9 CO 0.32 -0.12 0.24 -2.16 -1.79 0.00 0.00 174.94 171.43 3i9d s PRO 10 N -0.59 3.12 0.05 0.37 0.04 -1.26 -4.98 135.00 131.75 3i9d s PRO 10 Ca -0.07 -0.89 -0.26 0.00 0.04 0.00 0.00 61.00 59.82 3i9d s PRO 10 Cb -0.04 -2.71 0.09 0.00 0.04 0.00 0.00 34.50 31.88 3i9d s PRO 10 CO 0.03 0.44 1.21 -0.98 0.04 0.00 0.00 177.00 177.73 3i9d s ARG 11 N -3.66 0.69 0.05 4.56 1.70 -1.26 -3.82 118.95 117.20 3i9d s ARG 11 Ca 0.33 -0.44 0.00 0.00 -0.47 0.00 0.00 55.73 55.15 3i9d s ARG 11 Cb -0.09 0.19 0.00 0.00 -0.57 0.00 0.00 34.95 34.48 3i9d s ARG 11 CO 0.26 -0.32 0.00 0.09 -1.08 0.00 0.00 175.30 174.25 3i9d n ASN 12 N -1.13 -8.44 -0.83 -2.89 5.03 -1.26 -5.01 115.26 100.74 3i9d n ASN 12 Ca 0.02 1.53 0.00 0.00 0.87 0.00 0.00 54.58 57.00 3i9d n ASN 12 Cb 0.59 -4.60 0.00 0.00 -1.02 0.00 0.00 39.78 34.74 3i9d n ASN 12 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3i9d n LYS 13 N 1.58 0.00 -1.08 3.52 4.01 -1.26 -4.96 118.16 119.97 3i9d n LYS 13 Ca 0.00 0.37 0.00 0.00 -0.51 0.00 0.00 58.31 58.17 3i9d n LYS 13 Cb 0.00 -0.46 0.00 0.00 -0.51 0.00 0.00 35.03 34.06 3i9d n LYS 13 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 3i9d n ARG 14 N 0.66 -2.97 0.03 1.97 3.00 -1.26 -4.78 116.66 113.32 3i9d n ARG 14 Ca 0.00 2.16 -0.20 0.00 -0.00 0.00 0.00 57.85 59.80 3i9d n ARG 14 Cb 0.00 -2.35 -0.14 0.00 0.00 0.00 0.00 32.46 29.97 3i9d n ARG 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3i9d h VAL 15 N 1.78 0.76 -0.00 5.15 2.07 -1.49 -3.35 116.25 121.17 3i9d h VAL 15 Ca 0.00 -2.45 -0.00 0.00 0.82 0.00 0.00 66.70 65.06 3i9d h VAL 15 Cb 0.00 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3i9d h VAL 15 CO 0.00 0.85 -0.01 -2.24 0.02 0.00 0.00 177.57 176.19 3i9d h ASP 16 N 0.08 0.02 0.51 0.57 -0.00 -1.86 -3.23 116.42 112.49 3i9d h ASP 16 Ca -0.38 -0.61 0.00 0.00 -0.00 0.00 0.00 57.03 56.04 3i9d h ASP 16 Cb 2.05 -0.00 0.00 0.00 -0.00 0.00 0.00 39.33 41.38 3i9d h ASP 16 CO 0.12 0.63 0.00 0.52 -0.00 0.00 0.00 179.24 180.51 3i9d n VAL 17 N -4.78 1.00 -0.11 4.15 0.31 -1.26 -2.38 118.33 115.26 3i9d n VAL 17 Ca -0.09 0.33 -0.09 0.00 -0.01 0.00 0.00 64.34 64.48 3i9d n VAL 17 Cb 0.31 -1.23 0.05 0.00 -0.91 0.00 0.00 33.84 32.07 3i9d n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i9d h ALA 18 N 2.27 0.78 0.00 3.52 0.00 -1.69 -2.62 119.26 121.53 3i9d h ALA 18 Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 3i9d h ALA 18 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3i9d h ALA 18 CO 0.00 0.65 -0.21 -0.07 0.00 0.00 0.00 179.25 179.62 3i9d h LEU 19 N 0.73 0.00 -0.42 0.00 -0.00 -1.59 -2.81 115.31 111.21 3i9d h LEU 19 Ca 0.09 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 58.05 3i9d h LEU 19 Cb 0.80 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.39 3i9d h LEU 19 CO 0.07 0.21 0.00 0.74 -0.00 0.00 0.00 178.44 179.46 3i9d h THR 20 N 0.00 0.68 0.00 0.22 2.02 -1.57 -0.63 112.91 113.64 3i9d h THR 20 Ca -0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3i9d h THR 20 Cb 0.37 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3i9d h THR 20 CO 0.03 0.02 0.08 -1.22 0.37 0.00 0.00 175.52 174.80 3i9d n TYR 21 N -5.20 0.00 -3.18 3.16 0.53 -1.06 -4.57 117.16 106.85 3i9d n TYR 21 Ca 0.03 0.00 -0.30 0.00 -1.02 0.00 0.00 57.90 56.61 3i9d n TYR 21 Cb 0.22 -0.25 -0.04 0.00 -1.03 0.00 0.00 39.34 38.25 3i9d n TYR 21 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 3i9d s ILE 22 N -2.41 4.90 0.05 -0.72 1.01 -0.24 -4.96 121.20 118.84 3i9d s ILE 22 Ca 0.00 0.38 -0.23 0.00 0.00 0.00 0.00 60.65 60.80 3i9d s ILE 22 Cb 0.00 -3.70 -0.06 0.00 0.01 0.00 0.00 42.46 38.71 3i9d s ILE 22 CO 0.00 -0.33 0.70 -0.47 0.00 0.00 0.00 174.94 174.84 3i9d s TYR 23 N -2.13 3.75 0.00 3.97 6.14 -1.26 -3.12 117.35 124.70 3i9d s TYR 23 Ca 0.48 1.41 0.00 0.00 0.64 0.00 0.00 57.07 59.59 3i9d s TYR 23 Cb -0.11 -2.73 0.00 0.00 0.42 0.00 0.00 41.96 39.55 3i9d s TYR 23 CO 0.28 0.36 0.00 0.41 0.64 0.00 0.00 175.55 177.24 3i9d n GLY 24 N 2.23 1.70 3.43 8.97 0.00 -1.26 -1.85 105.19 118.41 3i9d n GLY 24 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3i9d n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i9d s ILE 25 N -2.34 2.87 0.32 -0.61 1.01 -1.18 -4.96 121.20 116.31 3i9d s ILE 25 Ca 0.00 -0.79 0.05 0.00 0.00 0.00 0.00 60.65 59.91 3i9d s ILE 25 Cb 0.00 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 3i9d s ILE 25 CO 0.00 0.58 0.30 -0.83 0.00 0.00 0.00 174.94 174.99 3i9d s GLY 26 N -0.57 2.10 0.64 6.18 0.00 -1.26 -4.58 107.32 109.83 3i9d s GLY 26 Ca 0.08 -1.94 0.19 0.00 0.00 0.00 0.00 44.72 43.05 3i9d s GLY 26 CO 0.01 -1.38 1.49 1.70 0.00 0.00 0.00 173.10 174.91 3i9d h LYS 27 N 2.18 0.00 0.00 2.90 3.64 -1.95 0.12 116.57 123.45 3i9d h LYS 27 Ca -0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3i9d h LYS 27 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3i9d h LYS 27 CO 0.38 0.00 -0.18 0.00 -2.27 0.00 0.00 179.45 177.39 3i9d h ALA 28 N 0.75 0.00 0.00 5.00 0.00 -2.00 -2.93 119.26 120.08 3i9d h ALA 28 Ca 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3i9d h ALA 28 Cb 1.63 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.60 3i9d h ALA 28 CO -0.00 0.18 0.32 0.00 0.00 0.00 0.00 179.25 179.75 3i9d h ARG 29 N -0.49 0.00 0.00 0.00 2.47 -1.77 -2.44 114.38 112.16 3i9d h ARG 29 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3i9d h ARG 29 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 3i9d h ARG 29 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.53 3i9d n ALA 30 N -1.69 0.00 -0.22 0.04 0.00 0.34 -3.01 120.51 115.98 3i9d n ALA 30 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.52 3i9d n ALA 30 Cb 0.35 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.99 3i9d n ALA 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i9d n LYS 31 N -0.35 -0.05 -0.21 0.00 4.81 -1.09 0.22 118.16 121.49 3i9d n LYS 31 Ca 0.00 0.94 -0.06 0.00 -0.87 0.00 0.00 58.31 58.32 3i9d n LYS 31 Cb 0.00 -1.49 0.04 0.00 0.02 0.00 0.00 35.03 33.60 3i9d n LYS 31 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3i9d h GLU 32 N 0.00 0.77 0.00 1.64 4.22 -1.62 -2.93 114.58 116.65 3i9d h GLU 32 Ca 0.38 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.77 3i9d h GLU 32 Cb 0.79 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3i9d h GLU 32 CO -0.59 0.51 0.00 0.00 -2.18 0.00 0.00 179.01 176.75 3i9d n ALA 33 N -2.27 1.89 0.02 2.92 0.00 0.59 -3.75 120.51 119.90 3i9d n ALA 33 Ca 0.05 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.20 3i9d n ALA 33 Cb 0.04 -1.30 -0.14 0.00 0.00 0.00 0.00 19.45 18.05 3i9d n ALA 33 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i9d h LEU 34 N 0.00 0.41 0.36 0.00 3.38 -1.36 -3.21 115.31 114.90 3i9d h LEU 34 Ca 0.00 -0.87 -0.02 0.00 0.09 0.00 0.00 57.88 57.08 3i9d h LEU 34 Cb 0.29 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3i9d h LEU 34 CO 0.00 1.64 -0.17 -0.33 0.09 0.00 0.00 178.44 179.66 3i9d h GLU 35 N -0.25 -0.47 -0.30 1.13 5.08 -1.67 0.43 114.58 118.53 3i9d h GLU 35 Ca -0.30 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.12 3i9d h GLU 35 Cb 1.80 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 31.10 3i9d h GLU 35 CO 0.08 -0.26 -0.36 -0.22 -1.00 0.00 0.00 179.01 177.25 3i9d h LYS 36 N -0.58 -0.22 0.00 2.33 3.11 -1.74 0.14 116.57 119.61 3i9d h LYS 36 Ca -0.05 0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.78 3i9d h LYS 36 Cb 0.43 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.71 3i9d h LYS 36 CO 0.08 -0.15 -0.11 1.15 -2.81 0.00 0.00 179.45 177.61 3i9d h THR 37 N -0.23 0.69 -2.32 1.00 2.02 -1.55 -3.47 112.91 109.04 3i9d h THR 37 Ca 0.05 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.76 3i9d h THR 37 Cb 0.37 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3i9d h THR 37 CO -0.40 0.11 0.00 0.61 0.37 0.00 0.00 175.52 176.21 3i9d n GLY 38 N -0.87 0.66 2.94 2.16 0.00 0.13 -4.92 105.19 105.29 3i9d n GLY 38 Ca -0.02 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 3i9d n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i9d s ILE 39 N -2.92 1.56 0.21 -0.61 1.01 -0.11 -5.02 121.20 115.31 3i9d s ILE 39 Ca 0.00 -1.27 -0.32 0.00 0.00 0.00 0.00 60.65 59.05 3i9d s ILE 39 Cb 0.00 -1.84 -0.14 0.00 0.01 0.00 0.00 42.46 40.50 3i9d s ILE 39 CO 0.00 -0.13 1.49 -3.20 0.00 0.00 0.00 174.94 173.11 3i9d n ASN 40 N 4.65 2.94 -0.14 3.58 5.15 -1.26 -4.69 115.26 125.50 3i9d n ASN 40 Ca -0.11 1.12 -0.12 0.00 -0.60 0.00 0.00 54.58 54.86 3i9d n ASN 40 Cb 0.44 -1.43 -0.02 0.00 -0.53 0.00 0.00 39.78 38.24 3i9d n ASN 40 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3i9d h PRO 41 N 5.00 0.86 -0.40 1.20 0.11 -1.96 -3.34 132.00 133.47 3i9d h PRO 41 Ca -0.45 -0.37 0.08 0.00 0.11 0.00 0.00 66.00 65.37 3i9d h PRO 41 Cb 1.26 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.26 3i9d h PRO 41 CO 0.82 1.01 -0.26 0.00 -0.21 0.00 0.00 178.00 179.36 3i9d h ALA 42 N 0.82 -0.04 -2.14 -0.75 0.00 -2.00 -3.22 119.26 111.93 3i9d h ALA 42 Ca 0.09 0.12 -0.42 0.00 0.00 0.00 0.00 54.91 54.70 3i9d h ALA 42 Cb 0.75 0.59 0.20 0.00 0.00 0.00 0.00 17.79 19.34 3i9d h ALA 42 CO 0.06 -0.65 0.02 0.95 0.00 0.00 0.00 179.25 179.63 3i9d s THR 43 N -6.07 1.80 0.36 0.00 -4.23 -1.25 -4.72 115.64 101.52 3i9d s THR 43 Ca -0.15 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.33 3i9d s THR 43 Cb 0.14 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 3i9d s THR 43 CO 0.69 0.00 0.62 -0.13 -0.54 0.00 0.00 174.62 175.26 3i9d s ARG 44 N -4.76 3.57 -0.05 3.99 1.81 -1.26 -2.47 118.95 119.79 3i9d s ARG 44 Ca 0.68 -0.02 0.09 0.00 -1.72 0.00 0.00 55.73 54.75 3i9d s ARG 44 Cb -0.20 -2.57 0.33 0.00 -0.45 0.00 0.00 34.95 32.06 3i9d s ARG 44 CO 0.61 0.07 1.17 1.55 -0.68 0.00 0.00 175.30 178.03 3i9d n VAL 45 N -1.55 0.81 -0.01 3.52 3.14 -1.26 -2.92 118.33 120.06 3i9d n VAL 45 Ca -0.02 -0.53 -0.00 0.00 -2.96 0.00 0.00 64.34 60.82 3i9d n VAL 45 Cb 0.55 -0.05 -0.12 0.00 -1.06 0.00 0.00 33.84 33.16 3i9d n VAL 45 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 3i9d n LYS 46 N 0.40 0.65 -3.74 1.45 4.81 -1.26 -4.26 118.16 116.20 3i9d n LYS 46 Ca 0.12 0.08 -0.25 0.00 -0.87 0.00 0.00 58.31 57.40 3i9d n LYS 46 Cb 0.46 -1.68 -0.17 0.00 0.02 0.00 0.00 35.03 33.66 3i9d n LYS 46 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 3i9d s ASP 47 N -5.46 2.05 0.00 3.14 1.47 -1.15 -5.04 116.67 111.68 3i9d s ASP 47 Ca -0.06 -0.36 0.00 0.00 1.18 0.00 0.00 52.55 53.32 3i9d s ASP 47 Cb 0.09 -0.46 0.00 0.00 -0.34 0.00 0.00 42.92 42.21 3i9d s ASP 47 CO 0.83 -0.24 0.00 0.00 0.68 0.00 0.00 175.17 176.44 3i9d n LEU 48 N 5.13 0.00 -1.32 2.11 -0.00 -1.26 -4.50 117.00 117.17 3i9d n LEU 48 Ca -0.07 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.80 3i9d n LEU 48 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.90 3i9d n LEU 48 CO 0.11 0.00 -0.06 0.41 -0.00 0.00 0.00 177.39 177.85 3i9d n THR 49 N 0.00 0.42 -0.12 1.47 -1.04 -1.26 -4.44 114.28 109.31 3i9d n THR 49 Ca 0.00 -0.15 0.16 0.00 -2.04 0.00 0.00 64.05 62.02 3i9d n THR 49 Cb 0.00 0.00 0.54 0.00 -1.82 0.00 0.00 70.33 69.05 3i9d n THR 49 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3i9d h GLU 50 N 0.21 0.32 -0.03 -2.82 4.39 -2.01 0.92 114.58 115.55 3i9d h GLU 50 Ca -0.10 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 3i9d h GLU 50 Cb 0.44 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3i9d h GLU 50 CO 0.16 0.21 0.01 0.00 -1.16 0.00 0.00 179.01 178.24 3i9d h ALA 51 N 1.67 0.04 -0.13 3.43 0.00 -1.97 0.46 119.26 122.76 3i9d h ALA 51 Ca 0.33 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3i9d h ALA 51 Cb 0.83 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3i9d h ALA 51 CO -0.09 -0.38 0.07 0.93 0.00 0.00 0.00 179.25 179.78 3i9d h GLU 52 N -0.09 0.17 -0.07 0.00 5.08 -1.15 1.35 114.58 119.87 3i9d h GLU 52 Ca 0.01 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 3i9d h GLU 52 Cb 0.15 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.37 3i9d h GLU 52 CO -0.00 0.13 -0.61 0.28 -1.00 0.00 0.00 179.01 177.82 3i9d h VAL 53 N 0.18 1.37 0.00 3.13 2.07 -0.66 -2.73 116.25 119.60 3i9d h VAL 53 Ca 0.05 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.62 3i9d h VAL 53 Cb 0.01 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 3i9d h VAL 53 CO -0.01 0.58 0.00 0.58 0.02 0.00 0.00 177.57 178.75 3i9d h VAL 54 N 0.12 0.00 0.00 2.57 2.07 0.11 -2.80 116.25 118.32 3i9d h VAL 54 Ca -0.06 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.51 3i9d h VAL 54 Cb 1.27 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 3i9d h VAL 54 CO 0.12 0.00 -0.57 0.03 0.02 0.00 0.00 177.57 177.17 3i9d h ARG 55 N 0.00 0.00 -0.46 1.57 3.08 0.17 -3.27 114.38 115.47 3i9d h ARG 55 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 3i9d h ARG 55 Cb 0.91 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 3i9d h ARG 55 CO 0.00 0.44 0.31 1.25 -1.07 0.00 0.00 179.97 180.90 3i9d h LEU 56 N -1.00 0.31 -0.47 3.04 7.12 -1.63 -1.42 115.31 121.26 3i9d h LEU 56 Ca -0.11 0.00 0.09 0.00 0.13 0.00 0.00 57.88 58.00 3i9d h LEU 56 Cb 0.72 -0.07 -0.08 0.00 -0.53 0.00 0.00 40.66 40.70 3i9d h LEU 56 CO -0.06 0.20 -0.05 -0.09 -0.13 0.00 0.00 178.44 178.31 3i9d h ARG 57 N 0.36 0.06 0.07 1.25 9.65 -1.62 -2.08 114.38 122.06 3i9d h ARG 57 Ca 0.20 -0.00 -0.24 0.00 -1.10 0.00 0.00 59.98 58.84 3i9d h ARG 57 Cb 0.34 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.90 3i9d h ARG 57 CO -0.05 0.04 -1.11 0.93 2.80 0.00 0.00 179.97 182.58 3i9d h GLU 58 N 0.06 0.17 0.57 0.20 5.08 -1.34 -2.63 114.58 116.70 3i9d h GLU 58 Ca 0.23 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3i9d h GLU 58 Cb 0.36 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3i9d h GLU 58 CO -0.44 1.11 -0.38 -0.92 -1.00 0.00 0.00 179.01 177.38 3i9d h TYR 59 N 0.05 -1.00 0.00 4.33 3.20 -1.11 -1.75 116.97 120.69 3i9d h TYR 59 Ca -0.08 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3i9d h TYR 59 Cb 1.84 0.36 0.00 0.00 1.54 0.00 0.00 36.73 40.47 3i9d h TYR 59 CO 0.04 -0.56 0.00 0.28 -1.64 0.00 0.00 178.16 176.27 3i9d n VAL 60 N -5.51 0.00 -0.36 1.81 0.31 -0.81 -0.67 118.33 113.11 3i9d n VAL 60 Ca -0.12 1.35 0.27 0.00 -0.01 0.00 0.00 64.34 65.83 3i9d n VAL 60 Cb 0.40 -2.25 0.54 0.00 -0.91 0.00 0.00 33.84 31.63 3i9d n VAL 60 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3i9d h GLU 61 N 0.00 0.29 0.05 5.55 5.08 -1.57 -3.01 114.58 120.97 3i9d h GLU 61 Ca 0.00 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.13 3i9d h GLU 61 Cb 0.00 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3i9d h GLU 61 CO 0.00 0.19 -1.13 -0.91 -1.00 0.00 0.00 179.01 176.16 3i9d h ASN 62 N 0.29 0.17 -0.47 1.42 4.21 -1.29 -3.39 115.58 116.52 3i9d h ASN 62 Ca 0.68 -0.75 0.14 0.00 1.21 0.00 0.00 56.30 57.58 3i9d h ASN 62 Cb 1.85 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 38.97 3i9d h ASN 62 CO -0.38 1.47 0.42 0.74 -1.29 0.00 0.00 177.43 178.39 3i9d h THR 63 N -0.67 0.53 -1.77 2.81 2.02 -0.75 -3.44 112.91 111.62 3i9d h THR 63 Ca -0.27 0.00 0.08 0.00 0.77 0.00 0.00 66.41 66.99 3i9d h THR 63 Cb 1.47 0.69 -0.21 0.00 -1.74 0.00 0.00 68.15 68.36 3i9d h THR 63 CO -0.05 0.00 0.51 -1.66 0.37 0.00 0.00 175.52 174.68 3i9d s TRP 64 N -4.79 -0.38 0.32 3.16 -2.14 -1.22 -5.11 118.94 108.78 3i9d s TRP 64 Ca -0.05 0.56 -0.28 0.00 2.66 0.00 0.00 56.10 59.00 3i9d s TRP 64 Cb 0.17 0.47 -0.09 0.00 -3.10 0.00 0.00 33.47 30.92 3i9d s TRP 64 CO 0.63 -0.41 1.11 -1.59 -2.66 0.00 0.00 176.95 174.03 3i9d s LYS 65 N -1.63 4.45 0.00 3.25 -2.85 -1.26 -4.69 119.74 117.01 3i9d s LYS 65 Ca -0.01 1.77 0.00 0.00 -1.00 0.00 0.00 55.97 56.73 3i9d s LYS 65 Cb -0.01 -2.98 0.00 0.00 -2.06 0.00 0.00 37.83 32.79 3i9d s LYS 65 CO -0.00 0.05 0.00 1.47 0.10 0.00 0.00 175.35 176.97 3i9d n LEU 66 N 0.76 0.00 0.00 2.77 -0.00 -1.26 -4.68 117.00 114.59 3i9d n LEU 66 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.02 3i9d n LEU 66 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 3i9d n LEU 66 CO 0.52 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 177.29 3i9d n GLU 67 N 0.00 0.00 0.00 1.47 1.02 -0.77 -1.62 120.64 120.74 3i9d n GLU 67 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i9d n GLU 67 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3i9d n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i9d n GLY 68 N -0.72 -0.98 0.00 0.62 0.00 -1.26 -3.91 105.19 98.94 3i9d n GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9d n GLY 68 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i9d n GLU 69 N 0.00 0.00 0.00 1.61 4.07 -0.64 -3.81 120.64 121.87 3i9d n GLU 69 Ca 0.00 0.40 0.00 0.00 -0.06 0.00 0.00 57.16 57.50 3i9d n GLU 69 Cb 0.00 -1.23 0.00 0.00 -0.06 0.00 0.00 31.44 30.15 3i9d n GLU 69 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 3i9d n LEU 70 N -1.44 0.00 -0.02 4.31 -0.00 -0.64 0.38 117.00 119.59 3i9d n LEU 70 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.83 3i9d n LEU 70 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 3i9d n LEU 70 CO 0.00 0.00 0.26 0.03 -0.00 0.00 0.00 177.39 177.68 3i9d h ARG 71 N 0.00 0.79 0.00 1.96 3.08 -1.68 -2.00 114.38 116.53 3i9d h ARG 71 Ca 0.00 -0.65 -0.03 0.00 0.07 0.00 0.00 59.98 59.37 3i9d h ARG 71 Cb 0.00 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 3i9d h ARG 71 CO 0.00 1.26 -0.12 0.00 -1.07 0.00 0.00 179.97 180.04 3i9d h ALA 72 N 0.54 1.73 0.00 0.04 0.00 0.67 -2.12 119.26 120.12 3i9d h ALA 72 Ca -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3i9d h ALA 72 Cb 1.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3i9d h ALA 72 CO 0.16 0.15 -0.01 1.49 0.00 0.00 0.00 179.25 181.04 3i9d h GLU 73 N 0.00 0.00 -1.09 0.00 4.81 -1.44 -2.60 114.58 114.27 3i9d h GLU 73 Ca -0.00 0.00 0.34 0.00 -0.13 0.00 0.00 59.36 59.56 3i9d h GLU 73 Cb 0.22 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.47 3i9d h GLU 73 CO 0.02 0.00 0.66 0.28 -0.73 0.00 0.00 179.01 179.24 3i9d h VAL 74 N -0.15 0.31 -0.16 0.32 2.07 -1.44 4.01 116.25 121.22 3i9d h VAL 74 Ca 0.00 -0.10 -0.20 0.00 0.82 0.00 0.00 66.70 67.22 3i9d h VAL 74 Cb 0.01 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 3i9d h VAL 74 CO 0.00 0.05 -0.71 0.00 0.02 0.00 0.00 177.57 176.94 3i9d h ALA 75 N 1.74 0.46 -0.35 1.67 0.00 -1.55 -1.12 119.26 120.10 3i9d h ALA 75 Ca 0.72 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3i9d h ALA 75 Cb 1.85 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 3i9d h ALA 75 CO -0.49 0.71 0.07 0.00 0.00 0.00 0.00 179.25 179.54 3i9d h ALA 76 N 0.73 0.46 -1.39 0.00 0.00 0.40 -2.85 119.26 116.62 3i9d h ALA 76 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3i9d h ALA 76 Cb 1.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3i9d h ALA 76 CO 0.14 0.15 0.00 0.09 0.00 0.00 0.00 179.25 179.63 3i9d n ASN 77 N -4.60 0.00 -0.23 0.00 4.13 1.16 -1.80 115.26 113.92 3i9d n ASN 77 Ca -0.01 0.77 0.20 0.00 1.68 0.00 0.00 54.58 57.22 3i9d n ASN 77 Cb 0.21 -0.27 0.38 0.00 -1.54 0.00 0.00 39.78 38.56 3i9d n ASN 77 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3i9d n ILE 78 N -1.76 -0.30 -0.22 2.41 5.41 -0.44 0.23 119.36 124.69 3i9d n ILE 78 Ca 0.00 1.48 0.26 0.00 1.00 0.00 0.00 62.75 65.49 3i9d n ILE 78 Cb 0.00 -2.35 0.66 0.00 -0.71 0.00 0.00 39.64 37.24 3i9d n ILE 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 3i9d h LYS 79 N 0.00 0.12 -0.02 0.38 3.64 -1.10 0.14 116.57 119.72 3i9d h LYS 79 Ca 0.57 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.93 3i9d h LYS 79 Cb 1.47 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.26 3i9d h LYS 79 CO -0.57 0.08 -0.03 -0.09 -2.27 0.00 0.00 179.45 176.56 3i9d h ARG 80 N 0.13 0.06 -0.64 1.90 2.43 0.29 -3.08 114.38 115.47 3i9d h ARG 80 Ca 0.46 -0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.71 3i9d h ARG 80 Cb 1.61 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 31.08 3i9d h ARG 80 CO -0.07 0.57 0.17 -0.07 -1.51 0.00 0.00 179.97 179.06 3i9d h LEU 81 N -0.44 0.07 0.00 3.80 3.38 -0.85 -3.33 115.31 117.94 3i9d h LEU 81 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3i9d h LEU 81 Cb 0.56 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3i9d h LEU 81 CO 0.01 0.03 0.00 0.23 0.09 0.00 0.00 178.44 178.80 3i9d n MET 82 N -5.10 0.68 -1.89 1.13 2.81 -0.33 -3.30 117.12 111.11 3i9d n MET 82 Ca 0.10 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 3i9d n MET 82 Cb 0.34 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.85 3i9d n MET 82 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3i9d n ASP 83 N -0.64 0.00 0.00 7.83 9.92 -1.24 -4.14 116.55 128.28 3i9d n ASP 83 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3i9d n ASP 83 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3i9d n ASP 83 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i9d n ILE 84 N -0.75 0.00 0.00 0.53 0.13 -1.25 -4.90 119.36 113.11 3i9d n ILE 84 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 3i9d n ILE 84 Cb 0.00 -0.23 0.00 0.00 -0.84 0.00 0.00 39.64 38.57 3i9d n ILE 84 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3i9d n GLY 85 N 0.20 1.50 3.80 4.50 0.00 -1.26 -5.14 105.19 108.79 3i9d n GLY 85 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3i9d n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9d h TYR 87 N 3.13 -0.19 0.00 0.00 3.20 -1.98 0.33 116.97 121.46 3i9d h TYR 87 Ca -0.47 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.40 3i9d h TYR 87 Cb 1.17 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.50 3i9d h TYR 87 CO 0.60 0.27 0.16 -2.13 -1.64 0.00 0.00 178.16 175.42 3i9d n ARG 88 N -4.91 0.09 -0.12 1.82 0.00 -1.26 -1.66 116.66 110.63 3i9d n ARG 88 Ca -0.08 0.57 -0.23 0.00 -0.00 0.00 0.00 57.85 58.11 3i9d n ARG 88 Cb 0.27 -1.97 -0.09 0.00 0.00 0.00 0.00 32.46 30.66 3i9d n ARG 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i9d n GLY 89 N -1.30 -0.66 0.19 5.14 0.00 -1.03 -4.36 105.19 103.17 3i9d n GLY 89 Ca -0.01 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.09 3i9d n GLY 89 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 3i9d h LEU 90 N -1.00 0.00 -0.46 0.99 8.10 0.36 0.26 115.31 123.56 3i9d h LEU 90 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.55 3i9d h LEU 90 Cb 1.34 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.56 3i9d h LEU 90 CO -0.27 0.00 0.00 0.54 -4.11 0.00 0.00 178.44 174.60 3i9d n ARG 91 N -2.45 0.15 0.00 0.17 5.12 -0.66 -0.65 116.66 118.34 3i9d n ARG 91 Ca 0.00 0.35 0.12 0.00 -1.93 0.00 0.00 57.85 56.39 3i9d n ARG 91 Cb 0.15 -1.77 0.21 0.00 -1.16 0.00 0.00 32.46 29.89 3i9d n ARG 91 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3i9d n HIS 92 N -2.06 0.04 0.01 -1.55 8.25 0.92 -1.83 115.22 119.00 3i9d n HIS 92 Ca 0.03 0.01 -0.16 0.00 -0.26 0.00 0.00 57.72 57.34 3i9d n HIS 92 Cb 0.24 -0.26 -0.14 0.00 1.12 0.00 0.00 29.99 30.95 3i9d n HIS 92 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i9d h ARG 93 N 0.00 0.18 -0.64 -0.41 3.08 -0.91 -3.33 114.38 112.35 3i9d h ARG 93 Ca 0.00 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3i9d h ARG 93 Cb 0.52 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3i9d h ARG 93 CO 0.00 0.97 0.00 0.54 -1.07 0.00 0.00 179.97 180.41 3i9d n ARG 94 N -3.34 3.30 -4.12 0.04 3.00 -0.80 -4.95 116.66 109.79 3i9d n ARG 94 Ca -0.24 -2.24 -0.28 0.00 -0.01 0.00 0.00 57.85 55.09 3i9d n ARG 94 Cb 1.05 -1.83 -0.09 0.00 0.00 0.00 0.00 32.46 31.59 3i9d n ARG 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i9d n GLY 95 N 0.83 -0.11 3.47 -0.13 0.00 -1.14 -4.94 105.19 103.17 3i9d n GLY 95 Ca 0.20 0.16 -0.24 0.00 0.00 0.00 0.00 46.02 46.14 3i9d n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i9d s LEU 96 N -6.91 2.58 0.31 0.99 1.43 -0.76 -4.35 118.68 111.96 3i9d s LEU 96 Ca 0.00 -1.02 -0.29 0.00 -1.03 0.00 0.00 54.13 51.80 3i9d s LEU 96 Cb -0.00 -1.11 -0.12 0.00 0.03 0.00 0.00 46.19 44.99 3i9d s LEU 96 CO 0.89 0.05 1.36 -0.81 0.23 0.00 0.00 176.35 178.07 3i9d n PRO 97 N -0.54 2.18 -1.89 1.29 -0.04 -1.26 -4.68 135.00 130.06 3i9d n PRO 97 Ca -0.06 0.77 -0.28 0.00 -0.04 0.00 0.00 63.50 63.89 3i9d n PRO 97 Cb 0.60 -2.40 0.03 0.00 -0.04 0.00 0.00 33.50 31.70 3i9d n PRO 97 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3i9d n VAL 98 N 0.92 2.86 -2.82 0.52 0.31 -1.26 -4.70 118.33 114.15 3i9d n VAL 98 Ca 0.07 -3.97 -0.11 0.00 -0.01 0.00 0.00 64.34 60.32 3i9d n VAL 98 Cb 0.35 -1.17 0.05 0.00 -0.91 0.00 0.00 33.84 32.17 3i9d n VAL 98 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i9d n ARG 99 N -0.73 1.08 0.00 5.55 1.74 -1.26 -5.04 116.66 117.99 3i9d n ARG 99 Ca 0.49 -2.54 0.00 0.00 -0.77 0.00 0.00 57.85 55.03 3i9d n ARG 99 Cb 0.81 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.25 3i9d n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i9d n GLY 100 N 0.02 1.49 1.08 -0.13 0.00 -1.26 -4.97 105.19 101.42 3i9d n GLY 100 Ca 0.09 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.28 3i9d n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i9d n GLN 101 N 0.00 -1.66 -4.08 1.61 6.02 -1.26 -4.75 117.38 113.27 3i9d n GLN 101 Ca 0.00 1.09 -0.32 0.00 -0.01 0.00 0.00 57.00 57.76 3i9d n GLN 101 Cb 0.00 -2.02 -0.16 0.00 1.02 0.00 0.00 30.24 29.08 3i9d n GLN 101 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3i9d s ARG 102 N -1.66 2.63 0.00 -1.09 1.70 -1.26 -4.98 118.95 114.29 3i9d s ARG 102 Ca 0.00 -0.85 0.23 0.00 -0.47 0.00 0.00 55.73 54.63 3i9d s ARG 102 Cb 0.00 -2.50 0.99 0.00 -0.57 0.00 0.00 34.95 32.86 3i9d s ARG 102 CO 0.00 -0.29 1.72 0.25 -1.08 0.00 0.00 175.30 175.90 3i9d n THR 103 N 4.63 0.43 0.29 4.99 -2.24 -1.26 -3.06 114.28 118.06 3i9d n THR 103 Ca -0.18 0.11 0.18 0.00 -2.27 0.00 0.00 64.05 61.89 3i9d n THR 103 Cb 0.48 -0.72 0.80 0.00 -2.10 0.00 0.00 70.33 68.80 3i9d n THR 103 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3i9d h ARG 104 N 0.00 0.00 0.00 -0.78 2.43 -2.00 -3.46 114.38 110.56 3i9d h ARG 104 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i9d h ARG 104 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3i9d h ARG 104 CO 0.00 0.01 0.00 0.25 -1.51 0.00 0.00 179.97 178.72 3i9d n THR 105 N -3.11 0.00 0.00 0.20 -2.24 -1.17 -5.04 114.28 102.91 3i9d n THR 105 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i9d n THR 105 Cb 0.25 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 3i9d n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3i9d n ASN 106 N 0.00 0.00 -0.01 3.42 4.13 -1.26 -4.59 115.26 116.95 3i9d n ASN 106 Ca 0.00 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.25 3i9d n ASN 106 Cb 0.00 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.23 3i9d n ASN 106 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i9d n ALA 107 N 0.00 1.96 0.00 5.41 0.00 -1.26 -4.91 120.51 121.71 3i9d n ALA 107 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3i9d n ALA 107 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.79 3i9d n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i9d n ARG 108 N -2.29 0.00 -0.04 0.00 5.12 -1.26 -2.14 116.66 116.05 3i9d n ARG 108 Ca -0.03 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.88 3i9d n ARG 108 Cb 0.54 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.83 3i9d n ARG 108 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3i9d n THR 109 N 0.00 -0.07 1.23 0.55 -1.04 -1.26 0.21 114.28 113.90 3i9d n THR 109 Ca 0.00 0.49 0.13 0.00 -2.04 0.00 0.00 64.05 62.63 3i9d n THR 109 Cb 0.00 -0.63 0.37 0.00 -1.82 0.00 0.00 70.33 68.25 3i9d n THR 109 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3i9d n ARG 110 N -3.06 0.79 0.00 -2.82 0.63 -0.91 -4.12 116.66 107.17 3i9d n ARG 110 Ca 0.00 -0.46 0.12 0.00 -0.92 0.00 0.00 57.85 56.59 3i9d n ARG 110 Cb 0.03 -1.49 0.13 0.00 0.45 0.00 0.00 32.46 31.58 3i9d n ARG 110 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3i9d n LYS 111 N -0.70 2.28 0.00 -0.14 4.81 0.55 -4.51 118.16 120.45 3i9d n LYS 111 Ca 0.12 -1.86 0.00 0.00 -0.87 0.00 0.00 58.31 55.70 3i9d n LYS 111 Cb 0.35 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 33.93 3i9d n LYS 111 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i9d n GLY 112 N 1.34 -2.67 3.44 3.14 0.00 0.00 -4.87 105.19 105.58 3i9d n GLY 112 Ca 0.14 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 3i9d n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i9d n PRO 113 N -1.78 0.13 -2.35 1.61 -0.02 -1.26 -4.66 135.00 126.67 3i9d n PRO 113 Ca 0.00 0.09 -0.41 0.00 -2.02 0.00 0.00 63.50 61.16 3i9d n PRO 113 Cb 0.00 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 3i9d n PRO 113 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3i9d s ARG 114 N -3.00 4.50 -0.94 -0.52 1.70 -1.26 -4.97 118.95 114.45 3i9d s ARG 114 Ca 0.63 1.91 -0.02 0.00 -0.47 0.00 0.00 55.73 57.78 3i9d s ARG 114 Cb -0.31 -3.21 0.26 0.00 -0.57 0.00 0.00 34.95 31.13 3i9d s ARG 114 CO 0.61 -0.05 1.02 1.63 -1.08 0.00 0.00 175.30 177.43 3i9d n LYS 115 N 2.06 3.27 -1.38 3.89 4.01 -1.26 -5.06 118.16 123.68 3i9d n LYS 115 Ca 0.03 -4.53 -0.39 0.00 -0.51 0.00 0.00 58.31 52.90 3i9d n LYS 115 Cb 0.44 -2.44 0.02 0.00 -0.51 0.00 0.00 35.03 32.54 3i9d n LYS 115 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 3i9d n THR 116 N 1.86 1.33 -3.76 -0.18 -1.04 -1.26 -4.98 114.28 106.26 3i9d n THR 116 Ca 0.25 -0.50 -0.06 0.00 -2.04 0.00 0.00 64.05 61.69 3i9d n THR 116 Cb 0.37 -0.39 -0.02 0.00 -1.82 0.00 0.00 70.33 68.47 3i9d n THR 116 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3i9d s VAL 117 N -1.74 0.00 0.00 12.58 0.11 -1.26 -5.07 120.40 125.01 3i9d s VAL 117 Ca 0.63 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 3i9d s VAL 117 Cb -0.51 -1.83 0.00 0.00 -1.53 0.00 0.00 36.38 32.50 3i9d s VAL 117 CO 0.59 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.36 3i9d n ALA 118 N -0.44 0.00 -0.03 1.54 0.00 -1.26 -4.70 120.51 115.63 3i9d n ALA 118 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3i9d n ALA 118 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3i9d n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9d n GLY 119 N 0.00 0.99 3.01 0.00 0.00 -1.26 -5.07 105.19 102.86 3i9d n GLY 119 Ca 0.00 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3i9d n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i9d n LYS 120 N -2.03 -0.01 0.00 1.61 4.76 -1.26 -4.82 118.16 116.41 3i9d n LYS 120 Ca 0.00 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3i9d n LYS 120 Cb 0.00 -1.02 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 3i9d n LYS 120 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3i9d n LYS 121 N 2.41 0.00 0.00 1.97 4.76 -1.26 -5.25 118.16 120.79 3i9d n LYS 121 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 3i9d n LYS 121 Cb 0.59 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 3i9d n LYS 121 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39