#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i0y h SER 4 N 0.00 0.58 -0.06 -1.84 0.87 -1.98 -1.26 113.55 109.86 3i0y h SER 4 Ca 0.00 -0.29 -0.00 0.00 -1.23 0.00 0.00 61.79 60.27 3i0y h SER 4 Cb 0.00 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.79 3i0y h SER 4 CO 0.00 0.98 0.02 0.78 -0.53 0.00 0.00 176.83 178.08 3i0y h ASN 5 N 0.42 0.09 -0.63 6.23 2.35 -1.91 0.08 115.58 122.20 3i0y h ASN 5 Ca 0.02 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.52 3i0y h ASN 5 Cb 1.01 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.33 3i0y h ASN 5 CO 0.09 0.26 0.19 -0.09 -1.65 0.00 0.00 177.43 176.22 3i0y h ARG 6 N -0.08 1.02 -0.04 0.81 2.43 -1.69 -1.97 114.38 114.86 3i0y h ARG 6 Ca 0.02 -0.22 -0.19 0.00 -0.81 0.00 0.00 59.98 58.79 3i0y h ARG 6 Cb 0.20 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3i0y h ARG 6 CO -0.00 0.89 -0.77 1.96 -1.51 0.00 0.00 179.97 180.53 3i0y h GLN 7 N 0.98 0.32 -0.56 0.20 7.50 -1.08 -1.39 115.11 121.07 3i0y h GLN 7 Ca 0.21 -0.28 0.01 0.00 0.50 0.00 0.00 58.65 59.09 3i0y h GLN 7 Cb 0.31 0.07 -0.03 0.00 0.05 0.00 0.00 27.48 27.87 3i0y h GLN 7 CO -0.00 0.94 0.36 0.00 -1.50 0.00 0.00 178.83 178.63 3i0y h ARG 8 N 0.21 0.70 -0.27 1.46 3.08 -0.78 -0.72 114.38 118.05 3i0y h ARG 8 Ca -0.04 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 3i0y h ARG 8 Cb 1.36 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 3i0y h ARG 8 CO 0.13 0.46 -0.14 0.00 -1.07 0.00 0.00 179.97 179.35 3i0y h ALA 9 N 1.22 0.38 -0.63 0.04 0.00 -1.18 -1.94 119.26 117.16 3i0y h ALA 9 Ca 0.21 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3i0y h ALA 9 Cb -0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3i0y h ALA 9 CO -0.06 0.27 0.18 1.79 0.00 0.00 0.00 179.25 181.43 3i0y h THR 10 N 0.31 1.25 -0.72 0.00 1.35 -1.26 -2.85 112.91 111.00 3i0y h THR 10 Ca 0.06 -0.87 -0.05 0.00 -0.55 0.00 0.00 66.41 65.00 3i0y h THR 10 Cb 0.66 0.62 -0.03 0.00 -1.73 0.00 0.00 68.15 67.67 3i0y h THR 10 CO 0.04 0.33 0.27 1.23 -0.25 0.00 0.00 175.52 177.14 3i0y h GLY 11 N 0.91 1.17 0.58 5.82 0.00 -1.05 -0.35 103.07 110.15 3i0y h GLY 11 Ca 0.20 -0.66 0.06 0.00 0.00 0.00 0.00 47.33 46.93 3i0y h GLY 11 CO -0.00 0.62 0.12 -2.00 0.00 0.00 0.00 176.54 175.27 3i0y h LEU 12 N 1.04 0.09 -0.47 3.11 5.85 -1.23 -0.33 115.31 123.38 3i0y h LEU 12 Ca 0.24 0.06 -0.17 0.00 0.84 0.00 0.00 57.88 58.85 3i0y h LEU 12 Cb 0.24 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 3i0y h LEU 12 CO -0.02 0.09 -0.55 0.58 -0.34 0.00 0.00 178.44 178.20 3i0y h VAL 13 N 0.27 1.31 -0.64 1.05 2.07 -1.27 -1.39 116.25 117.66 3i0y h VAL 13 Ca 0.19 -1.79 -0.07 0.00 0.82 0.00 0.00 66.70 65.85 3i0y h VAL 13 Cb 0.20 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 3i0y h VAL 13 CO -0.22 0.56 0.11 1.56 0.02 0.00 0.00 177.57 179.60 3i0y h GLN 14 N 0.48 1.03 -0.64 1.57 1.08 -0.72 -1.70 115.11 116.21 3i0y h GLN 14 Ca 0.01 -0.26 -0.04 0.00 -1.45 0.00 0.00 58.65 56.91 3i0y h GLN 14 Cb 1.11 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 28.38 3i0y h GLN 14 CO 0.11 0.94 0.23 0.00 -0.95 0.00 0.00 178.83 179.16 3i0y h ALA 15 N 1.14 0.84 -0.56 3.87 0.00 -0.82 -1.15 119.26 122.58 3i0y h ALA 15 Ca 0.20 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3i0y h ALA 15 Cb 0.41 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3i0y h ALA 15 CO 0.01 0.48 0.26 -0.92 0.00 0.00 0.00 179.25 179.08 3i0y h TYR 16 N 0.91 0.48 -0.08 0.00 3.20 -0.89 -1.72 116.97 118.88 3i0y h TYR 16 Ca 0.21 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.95 3i0y h TYR 16 Cb 0.25 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3i0y h TYR 16 CO 0.02 0.21 -0.61 1.88 -1.64 0.00 0.00 178.16 178.01 3i0y h TYR 17 N 0.50 0.36 -0.64 -3.82 0.05 -1.02 -2.06 116.97 110.33 3i0y h TYR 17 Ca 0.26 -0.14 -0.01 0.00 0.05 0.00 0.00 58.73 58.89 3i0y h TYR 17 Cb 0.21 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 3i0y h TYR 17 CO -0.12 0.81 0.36 1.49 -1.05 0.00 0.00 178.16 179.66 3i0y h GLU 18 N 0.21 0.89 -0.64 4.88 4.57 -0.97 -0.93 114.58 122.58 3i0y h GLU 18 Ca -0.01 -0.10 0.01 0.00 -1.18 0.00 0.00 59.36 58.09 3i0y h GLU 18 Cb 1.12 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.50 3i0y h GLU 18 CO 0.10 0.66 0.42 0.00 -1.18 0.00 0.00 179.01 179.01 3i0y h ALA 19 N 1.18 0.82 -0.41 2.92 0.00 -1.10 -0.91 119.26 121.76 3i0y h ALA 19 Ca 0.23 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.18 3i0y h ALA 19 Cb 0.02 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 17.48 3i0y h ALA 19 CO -0.04 0.22 -0.17 0.35 0.00 0.00 0.00 179.25 179.61 3i0y h PHE 20 N 0.85 -0.41 0.00 0.00 3.57 -0.99 0.38 116.94 120.34 3i0y h PHE 20 Ca 0.24 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 3i0y h PHE 20 Cb -0.07 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3i0y h PHE 20 CO -0.03 -0.25 -0.21 -0.91 -2.23 0.00 0.00 178.31 174.67 3i0y h ASN 21 N -0.09 0.00 0.22 0.41 2.35 -0.59 -1.23 115.58 116.65 3i0y h ASN 21 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3i0y h ASN 21 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3i0y h ASN 21 CO -0.47 0.21 -0.14 -1.14 -1.65 0.00 0.00 177.43 174.24 3i0y n ARG 22 N -4.02 0.94 -1.87 0.81 0.63 -0.40 -4.91 116.66 107.85 3i0y n ARG 22 Ca -0.02 -0.46 -0.14 0.00 -0.92 0.00 0.00 57.85 56.30 3i0y n ARG 22 Cb 0.29 -1.49 -0.03 0.00 0.45 0.00 0.00 32.46 31.67 3i0y n ARG 22 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i0y n GLY 23 N 1.27 0.59 3.34 5.14 0.00 -0.46 -4.94 105.19 110.13 3i0y n GLY 23 Ca 0.15 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 3i0y n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i0y n ASP 24 N -0.56 5.26 0.00 1.61 -0.08 0.07 -4.83 116.55 118.02 3i0y n ASP 24 Ca -0.16 -3.02 -0.01 0.00 -1.51 0.00 0.00 54.79 50.09 3i0y n ASP 24 Cb 0.56 -1.53 0.26 0.00 2.34 0.00 0.00 41.12 42.74 3i0y n ASP 24 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 3i0y h TRP 25 N 6.79 0.55 -0.61 -0.67 -0.00 -1.92 -2.54 115.95 117.55 3i0y h TRP 25 Ca 0.32 -0.08 0.03 0.00 -0.00 0.00 0.00 58.89 59.16 3i0y h TRP 25 Cb 0.82 -0.15 -0.04 0.00 -0.00 0.00 0.00 29.16 29.79 3i0y h TRP 25 CO 1.09 0.60 0.36 -0.44 -0.00 0.00 0.00 178.44 180.06 3i0y h ASP 26 N 0.48 0.58 0.00 -3.49 3.32 -1.97 -0.93 116.42 114.42 3i0y h ASP 26 Ca 0.09 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3i0y h ASP 26 Cb 0.45 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3i0y h ASP 26 CO 0.02 0.40 0.00 0.00 -1.72 0.00 0.00 179.24 177.94 3i0y n ALA 27 N -2.31 1.82 0.00 3.45 0.00 -0.96 -1.76 120.51 120.76 3i0y n ALA 27 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3i0y n ALA 27 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3i0y n ALA 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i0y n LEU 29 N 0.82 0.00 0.27 0.00 4.77 -0.35 -2.73 117.00 119.78 3i0y n LEU 29 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 3i0y n LEU 29 Cb 0.16 0.00 0.76 0.00 -2.33 0.00 0.00 43.42 42.01 3i0y n LEU 29 CO 0.00 0.00 0.99 0.00 -1.33 0.00 0.00 177.39 177.05 3i0y h ALA 30 N 0.00 1.12 0.00 -1.18 0.00 -1.60 -2.13 119.26 115.46 3i0y h ALA 30 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i0y h ALA 30 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3i0y h ALA 30 CO 0.00 0.10 0.00 0.74 0.00 0.00 0.00 179.25 180.09 3i0y h PHE 31 N 0.00 0.00 -3.26 0.00 0.04 -1.81 -3.46 116.94 108.44 3i0y h PHE 31 Ca -0.00 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 3i0y h PHE 31 Cb 0.39 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.50 3i0y h PHE 31 CO 0.00 0.00 -0.02 -0.51 -0.60 0.00 0.00 178.31 177.18 3i0y s LEU 32 N -5.71 4.51 0.69 1.54 1.43 -0.80 -1.27 118.68 119.06 3i0y s LEU 32 Ca 0.07 1.26 -0.13 0.00 -1.03 0.00 0.00 54.13 54.30 3i0y s LEU 32 Cb 0.08 -2.92 0.02 0.00 0.03 0.00 0.00 46.19 43.39 3i0y s LEU 32 CO 0.62 0.24 1.09 0.00 0.23 0.00 0.00 176.35 178.53 3i0y s ALA 33 N -0.94 2.44 0.33 4.21 0.00 -0.36 -4.85 121.76 122.59 3i0y s ALA 33 Ca 0.30 0.40 0.31 0.00 0.00 0.00 0.00 51.96 52.98 3i0y s ALA 33 Cb -0.19 -3.28 1.52 0.00 0.00 0.00 0.00 23.12 21.16 3i0y s ALA 33 CO 0.19 -1.38 2.06 0.93 0.00 0.00 0.00 175.76 177.56 3i0y h GLU 34 N -0.36 0.00 -0.72 0.00 4.39 -1.96 -1.79 114.58 114.13 3i0y h GLU 34 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 3i0y h GLU 34 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3i0y h GLU 34 CO 0.54 0.08 0.00 -0.40 -1.16 0.00 0.00 179.01 178.07 3i0y n ASP 35 N -3.36 3.79 -4.75 1.42 5.75 -1.26 -4.23 116.55 113.91 3i0y n ASP 35 Ca -0.01 -2.53 -0.41 0.00 -0.01 0.00 0.00 54.79 51.83 3i0y n ASP 35 Cb 0.26 -0.59 -0.01 0.00 -1.03 0.00 0.00 41.12 39.74 3i0y n ASP 35 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3i0y s VAL 36 N -2.03 2.01 -0.14 2.12 0.11 -0.67 -4.69 120.40 117.11 3i0y s VAL 36 Ca 0.33 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.35 3i0y s VAL 36 Cb 0.25 -3.00 -0.03 0.00 -1.53 0.00 0.00 36.38 32.06 3i0y s VAL 36 CO 0.11 0.00 0.01 0.00 -3.33 0.00 0.00 175.10 171.89 3i0y s ALA 37 N -0.05 3.26 -0.25 1.54 0.00 -0.66 -0.05 121.76 125.57 3i0y s ALA 37 Ca 0.63 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.82 3i0y s ALA 37 Cb -0.48 -1.65 0.06 0.00 0.00 0.00 0.00 23.12 21.05 3i0y s ALA 37 CO 0.49 0.36 -0.06 -1.58 0.00 0.00 0.00 175.76 174.97 3i0y s HIS 38 N -0.16 2.62 -0.41 0.00 2.46 -0.00 -0.89 115.29 118.91 3i0y s HIS 38 Ca 0.05 -1.93 -0.18 0.00 0.47 0.00 0.00 55.06 53.48 3i0y s HIS 38 Cb -0.12 -1.70 0.02 0.00 -0.13 0.00 0.00 32.58 30.64 3i0y s HIS 38 CO 0.02 -0.81 0.48 -0.51 -2.47 0.00 0.00 174.74 171.45 3i0y s ASP 39 N 1.32 6.24 0.29 9.88 1.01 0.04 -0.36 116.67 135.08 3i0y s ASP 39 Ca -0.06 -0.47 -0.29 0.00 0.71 0.00 0.00 52.55 52.44 3i0y s ASP 39 Cb -0.19 -2.25 -0.09 0.00 1.01 0.00 0.00 42.92 41.40 3i0y s ASP 39 CO -0.06 -0.58 1.05 -0.76 0.21 0.00 0.00 175.17 175.02 3i0y s LEU 40 N 2.30 4.51 0.12 1.23 1.02 -0.40 -1.90 118.68 125.55 3i0y s LEU 40 Ca 0.15 2.15 -0.31 0.00 0.02 0.00 0.00 54.13 56.14 3i0y s LEU 40 Cb -0.16 -3.72 -0.10 0.00 0.02 0.00 0.00 46.19 42.23 3i0y s LEU 40 CO 0.14 -0.12 1.73 0.21 0.02 0.00 0.00 176.35 178.34 3i0y s ASN 41 N -1.08 6.49 -1.84 2.29 2.47 -1.23 -0.98 114.94 121.06 3i0y s ASN 41 Ca 0.46 2.68 0.00 0.00 0.42 0.00 0.00 52.86 56.41 3i0y s ASN 41 Cb -0.29 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 36.94 3i0y s ASN 41 CO 0.36 -0.94 0.00 0.00 -3.72 0.00 0.00 177.10 172.80 3i0y n GLN 42 N 5.24 -1.57 -0.21 0.43 1.13 -1.26 -4.89 117.38 116.25 3i0y n GLN 42 Ca 0.16 1.03 0.00 0.00 -1.94 0.00 0.00 57.00 56.26 3i0y n GLN 42 Cb 0.38 -5.50 0.00 0.00 0.11 0.00 0.00 30.24 25.24 3i0y n GLN 42 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i0y n GLY 43 N -0.59 5.08 3.93 1.08 0.00 -0.15 -5.17 105.19 109.38 3i0y n GLY 43 Ca -0.20 -1.45 -0.27 0.00 0.00 0.00 0.00 46.02 44.10 3i0y n GLY 43 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i0y s PRO 44 N 0.69 1.66 0.06 1.61 0.04 -1.26 -4.57 135.00 133.22 3i0y s PRO 44 Ca 0.00 -0.36 -0.19 0.00 0.04 0.00 0.00 61.00 60.49 3i0y s PRO 44 Cb 0.00 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 3i0y s PRO 44 CO 0.00 -1.65 0.57 0.50 0.04 0.00 0.00 177.00 176.46 3i0y s ARG 45 N -5.47 4.22 -0.07 4.56 3.52 -1.26 -1.28 118.95 123.17 3i0y s ARG 45 Ca 0.65 0.73 0.03 0.00 -0.13 0.00 0.00 55.73 57.01 3i0y s ARG 45 Cb -0.08 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 30.06 3i0y s ARG 45 CO 0.48 0.59 -0.18 -1.21 -0.81 0.00 0.00 175.30 174.17 3i0y s GLU 46 N -0.93 2.24 -0.16 5.12 2.02 0.51 -4.96 118.70 122.54 3i0y s GLU 46 Ca 0.29 -0.64 -0.05 0.00 0.02 0.00 0.00 54.97 54.60 3i0y s GLU 46 Cb -0.19 -1.79 -0.03 0.00 0.10 0.00 0.00 34.13 32.22 3i0y s GLU 46 CO 0.18 0.14 -0.01 0.42 0.02 0.00 0.00 175.26 176.01 3i0y s ILE 47 N 0.40 4.17 0.00 -1.63 1.01 -1.26 -0.82 121.20 123.06 3i0y s ILE 47 Ca -0.14 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.25 3i0y s ILE 47 Cb -0.16 -2.84 0.00 0.00 0.01 0.00 0.00 42.46 39.48 3i0y s ILE 47 CO 0.05 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.10 3i0y n GLY 48 N 3.44 2.64 0.17 6.18 0.00 0.93 -4.58 105.19 113.96 3i0y n GLY 48 Ca -0.17 -1.91 0.04 0.00 0.00 0.00 0.00 46.02 43.98 3i0y n GLY 48 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i0y h ARG 49 N 0.00 0.00 -0.21 1.61 3.08 -1.83 -2.52 114.38 114.51 3i0y h ARG 49 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3i0y h ARG 49 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3i0y h ARG 49 CO 0.00 0.46 0.11 0.00 -1.07 0.00 0.00 179.97 179.47 3i0y h ALA 50 N 1.54 0.27 -0.69 0.04 0.00 -1.94 0.30 119.26 118.78 3i0y h ALA 50 Ca -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i0y h ALA 50 Cb 1.08 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3i0y h ALA 50 CO 0.06 -0.18 0.43 0.00 0.00 0.00 0.00 179.25 179.56 3i0y h ALA 51 N 0.98 0.88 -0.78 0.00 0.00 -1.79 -1.69 119.26 116.85 3i0y h ALA 51 Ca 0.07 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3i0y h ALA 51 Cb 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3i0y h ALA 51 CO -0.01 0.34 0.29 0.35 0.00 0.00 0.00 179.25 180.21 3i0y h PHE 52 N 0.94 1.22 -0.46 0.00 3.04 -1.17 -0.19 116.94 120.32 3i0y h PHE 52 Ca 0.25 -0.11 -0.01 0.00 3.98 0.00 0.00 57.97 62.08 3i0y h PHE 52 Cb -0.05 -0.36 -0.02 0.00 2.56 0.00 0.00 35.95 38.08 3i0y h PHE 52 CO -0.02 0.94 0.24 0.00 -2.02 0.00 0.00 178.31 177.45 3i0y h ALA 53 N 1.15 0.59 -0.50 2.41 0.00 -0.58 -1.71 119.26 120.62 3i0y h ALA 53 Ca 0.26 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3i0y h ALA 53 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3i0y h ALA 53 CO -0.02 0.12 0.33 1.03 0.00 0.00 0.00 179.25 180.72 3i0y h SER 54 N 0.60 0.56 -0.14 0.00 0.87 -0.90 -2.17 113.55 112.38 3i0y h SER 54 Ca 0.16 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 3i0y h SER 54 Cb 0.07 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 3i0y h SER 54 CO -0.02 0.40 -0.15 0.15 -0.53 0.00 0.00 176.83 176.68 3i0y h PHE 55 N 0.66 0.41 -0.64 2.24 3.57 -0.59 -0.65 116.94 121.94 3i0y h PHE 55 Ca 0.19 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 3i0y h PHE 55 Cb -0.04 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 3i0y h PHE 55 CO -0.00 0.75 0.28 -0.07 -2.23 0.00 0.00 178.31 177.04 3i0y h LEU 56 N -0.04 0.85 -0.20 0.59 3.38 -0.97 -2.64 115.31 116.27 3i0y h LEU 56 Ca 0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3i0y h LEU 56 Cb 0.69 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3i0y h LEU 56 CO 0.04 0.74 0.01 1.56 0.09 0.00 0.00 178.44 180.88 3i0y h GLN 57 N 0.92 0.35 -0.40 1.13 4.20 -1.40 -1.30 115.11 118.61 3i0y h GLN 57 Ca 0.22 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3i0y h GLN 57 Cb 0.15 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3i0y h GLN 57 CO -0.02 0.54 0.00 0.54 -0.67 0.00 0.00 178.83 179.22 3i0y n ARG 58 N -4.70 0.01 0.00 1.46 1.74 -0.25 -2.19 116.66 112.72 3i0y n ARG 58 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 3i0y n ARG 58 Cb 0.22 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 3i0y n ARG 58 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3i0y n ASN 60 N 0.59 0.00 0.03 0.55 5.15 -0.49 -3.62 115.26 117.47 3i0y n ASN 60 Ca 0.00 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.88 3i0y n ASN 60 Cb 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.29 3i0y n ASN 60 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 3i0y h ASP 61 N 0.00 0.55 0.00 1.20 3.58 -1.71 -3.37 116.42 116.67 3i0y h ASP 61 Ca 0.00 -0.34 -0.01 0.00 0.42 0.00 0.00 57.03 57.10 3i0y h ASP 61 Cb 0.00 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 40.89 3i0y h ASP 61 CO 0.00 1.07 -1.65 -1.20 -2.88 0.00 0.00 179.24 174.58 3i0y n SER 62 N -3.89 1.79 -3.85 2.28 7.64 -1.24 -4.48 113.62 111.88 3i0y n SER 62 Ca -0.04 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.72 3i0y n SER 62 Cb 0.67 1.61 -0.13 0.00 -1.01 0.00 0.00 64.21 65.35 3i0y n SER 62 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3i0y s TYR 63 N -2.95 -0.08 -0.16 1.43 2.02 -1.26 -1.46 117.35 114.90 3i0y s TYR 63 Ca -0.05 0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.86 3i0y s TYR 63 Cb 0.09 0.02 0.01 0.00 -0.40 0.00 0.00 41.96 41.68 3i0y s TYR 63 CO 0.58 -0.06 -0.21 0.50 -1.57 0.00 0.00 175.55 174.79 3i0y s ARG 64 N -0.08 3.01 0.01 -0.62 3.52 0.15 -4.27 118.95 120.68 3i0y s ARG 64 Ca -0.01 -0.84 0.02 0.00 -0.13 0.00 0.00 55.73 54.76 3i0y s ARG 64 Cb -0.01 -2.50 -0.01 0.00 -1.56 0.00 0.00 34.95 30.86 3i0y s ARG 64 CO 0.00 -0.10 -0.06 -1.21 -0.81 0.00 0.00 175.30 173.12 3i0y s GLU 65 N 1.03 0.44 -0.07 5.12 2.02 -1.26 -0.62 118.70 125.35 3i0y s GLU 65 Ca -0.02 -0.40 0.04 0.00 0.02 0.00 0.00 54.97 54.61 3i0y s GLU 65 Cb -0.14 -0.33 0.00 0.00 0.10 0.00 0.00 34.13 33.76 3i0y s GLU 65 CO -0.07 0.08 -0.18 -0.65 0.02 0.00 0.00 175.26 174.46 3i0y s GLN 66 N -0.69 2.20 -0.20 1.61 -1.52 -0.05 -4.84 119.66 116.17 3i0y s GLN 66 Ca -0.03 -0.65 -0.15 0.00 -1.95 0.00 0.00 55.36 52.59 3i0y s GLN 66 Cb -0.05 -1.78 -0.04 0.00 -0.22 0.00 0.00 33.01 30.92 3i0y s GLN 66 CO 0.00 0.16 0.34 -0.51 -0.25 0.00 0.00 175.29 175.03 3i0y s LEU 67 N 0.33 4.16 0.37 2.90 1.43 -1.26 -0.88 118.68 125.72 3i0y s LEU 67 Ca -0.12 0.45 0.08 0.00 -1.03 0.00 0.00 54.13 53.50 3i0y s LEU 67 Cb -0.15 -2.42 -0.07 0.00 0.03 0.00 0.00 46.19 43.57 3i0y s LEU 67 CO 0.05 -0.03 -0.03 -0.13 0.23 0.00 0.00 176.35 176.45 3i0y s ARG 68 N 1.14 1.85 -1.47 1.70 0.52 0.03 -4.80 118.95 117.92 3i0y s ARG 68 Ca 0.17 -2.01 -0.03 0.00 -0.52 0.00 0.00 55.73 53.34 3i0y s ARG 68 Cb -0.14 -1.55 0.02 0.00 0.52 0.00 0.00 34.95 33.80 3i0y s ARG 68 CO 0.07 0.01 0.39 -0.25 0.02 0.00 0.00 175.30 175.54 3i0y n ASP 69 N -0.85 -0.48 -4.64 0.23 8.00 -1.26 -1.35 116.55 116.20 3i0y n ASP 69 Ca -0.05 -1.06 -0.43 0.00 0.71 0.00 0.00 54.79 53.97 3i0y n ASP 69 Cb 0.65 -2.75 -0.02 0.00 -0.02 0.00 0.00 41.12 38.98 3i0y n ASP 69 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i0y s ILE 70 N -3.95 4.59 -0.19 0.53 1.01 -1.26 -4.34 121.20 117.60 3i0y s ILE 70 Ca 0.10 1.76 -0.01 0.00 0.00 0.00 0.00 60.65 62.50 3i0y s ILE 70 Cb -0.06 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 38.06 3i0y s ILE 70 CO 0.91 -0.37 -0.12 -0.69 0.00 0.00 0.00 174.94 174.67 3i0y s VAL 71 N 3.45 2.79 -0.12 2.92 1.01 -0.20 -4.98 120.40 125.27 3i0y s VAL 71 Ca 0.44 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3i0y s VAL 71 Cb -0.13 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.03 3i0y s VAL 71 CO 0.12 0.49 -0.22 -0.69 0.00 0.00 0.00 175.10 174.80 3i0y s VAL 72 N 1.20 2.02 0.06 2.92 1.01 -1.26 -1.23 120.40 125.13 3i0y s VAL 72 Ca 0.02 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.08 3i0y s VAL 72 Cb -0.14 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 3i0y s VAL 72 CO -0.05 0.55 -0.14 0.42 0.00 0.00 0.00 175.10 175.87 3i0y s THR 73 N 0.66 1.13 0.13 3.92 -4.23 -0.05 -4.97 115.64 112.24 3i0y s THR 73 Ca -0.11 -1.24 -0.04 0.00 -1.18 0.00 0.00 61.69 59.12 3i0y s THR 73 Cb -0.16 -1.07 -0.03 0.00 1.34 0.00 0.00 72.50 72.58 3i0y s THR 73 CO 0.02 -0.16 0.14 0.00 -0.54 0.00 0.00 174.62 174.07 3i0y s ALA 74 N -1.17 0.46 0.66 3.99 0.00 -1.26 -0.73 121.76 123.71 3i0y s ALA 74 Ca -0.01 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 50.66 3i0y s ALA 74 Cb -0.09 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.79 3i0y s ALA 74 CO 0.02 -0.53 1.05 0.54 0.00 0.00 0.00 175.76 176.84 3i0y s ASN 75 N -3.00 5.83 0.54 0.00 4.22 -0.61 -4.96 114.94 116.98 3i0y s ASN 75 Ca 0.19 1.37 0.24 0.00 -2.14 0.00 0.00 52.86 52.52 3i0y s ASN 75 Cb 0.06 -2.32 1.52 0.00 1.28 0.00 0.00 41.25 41.79 3i0y s ASN 75 CO -0.01 -1.12 2.16 0.44 -2.04 0.00 0.00 177.10 176.53 3i0y h ASP 76 N -0.50 0.00 1.19 3.54 3.32 -1.96 -0.62 116.42 121.39 3i0y h ASP 76 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3i0y h ASP 76 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3i0y h ASP 76 CO 0.62 0.05 0.00 -0.33 -1.72 0.00 0.00 179.24 177.85 3i0y h GLU 77 N 0.00 0.00 -2.17 3.56 3.07 -1.93 -3.35 114.58 113.77 3i0y h GLU 77 Ca -0.00 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.59 3i0y h GLU 77 Cb 0.11 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.02 3i0y h GLU 77 CO 0.01 0.00 -0.36 0.41 -1.40 0.00 0.00 179.01 177.67 3i0y n GLY 78 N 0.58 -0.17 0.00 -3.84 0.00 -0.24 -4.80 105.19 96.71 3i0y n GLY 78 Ca 0.03 -0.29 0.02 0.00 0.00 0.00 0.00 46.02 45.79 3i0y n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i0y n THR 79 N -4.02 0.00 -3.97 2.61 -2.24 -1.26 -4.63 114.28 100.76 3i0y n THR 79 Ca -0.14 -0.29 -0.19 0.00 -2.27 0.00 0.00 64.05 61.16 3i0y n THR 79 Cb 0.61 0.78 -0.16 0.00 -2.10 0.00 0.00 70.33 69.46 3i0y n THR 79 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i0y s ARG 80 N -1.78 0.48 -0.00 -0.78 1.81 -1.26 -0.92 118.95 116.50 3i0y s ARG 80 Ca 0.01 0.03 0.04 0.00 -1.72 0.00 0.00 55.73 54.09 3i0y s ARG 80 Cb 0.04 -0.64 -0.01 0.00 -0.45 0.00 0.00 34.95 33.89 3i0y s ARG 80 CO 0.20 -0.14 -0.12 0.08 -0.68 0.00 0.00 175.30 174.64 3i0y s VAL 81 N 1.12 0.93 -0.00 3.52 1.01 -0.82 -1.57 120.40 124.58 3i0y s VAL 81 Ca -0.08 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.41 3i0y s VAL 81 Cb -0.14 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 3i0y s VAL 81 CO -0.02 0.23 -0.17 -0.83 0.00 0.00 0.00 175.10 174.32 3i0y s GLY 82 N -0.35 1.52 -0.01 4.51 0.00 0.09 -0.60 107.32 112.48 3i0y s GLY 82 Ca 0.04 -1.09 0.02 0.00 0.00 0.00 0.00 44.72 43.68 3i0y s GLY 82 CO -0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 173.10 172.11 3i0y s ALA 83 N -0.81 0.51 0.08 3.20 0.00 0.55 -0.87 121.76 124.41 3i0y s ALA 83 Ca 0.13 -0.18 0.10 0.00 0.00 0.00 0.00 51.96 52.01 3i0y s ALA 83 Cb -0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 3i0y s ALA 83 CO 0.03 0.08 -0.26 -2.00 0.00 0.00 0.00 175.76 173.61 3i0y s GLU 84 N 0.15 1.59 0.31 0.00 2.12 -0.36 -0.38 118.70 122.12 3i0y s GLU 84 Ca -0.01 -1.18 -0.13 0.00 0.36 0.00 0.00 54.97 54.01 3i0y s GLU 84 Cb -0.06 -1.87 0.02 0.00 0.26 0.00 0.00 34.13 32.48 3i0y s GLU 84 CO -0.00 0.47 0.59 1.52 -0.54 0.00 0.00 175.26 177.30 3i0y s TYR 85 N -0.91 0.35 -0.14 5.30 -0.85 -0.54 -1.03 117.35 119.53 3i0y s TYR 85 Ca 0.12 -0.78 0.02 0.00 -0.52 0.00 0.00 57.07 55.91 3i0y s TYR 85 Cb -0.10 0.38 0.01 0.00 0.38 0.00 0.00 41.96 42.63 3i0y s TYR 85 CO 0.03 -1.20 -0.21 0.08 -1.52 0.00 0.00 175.55 172.73 3i0y s VAL 86 N -3.41 1.98 -0.11 -3.49 1.01 -0.46 -1.08 120.40 114.85 3i0y s VAL 86 Ca 0.20 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 61.09 3i0y s VAL 86 Cb -0.03 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 3i0y s VAL 86 CO 0.12 0.53 0.43 -0.69 0.00 0.00 0.00 175.10 175.49 3i0y s VAL 87 N 0.91 5.19 -0.20 2.92 1.01 0.69 -0.79 120.40 130.12 3i0y s VAL 87 Ca -0.05 0.86 -0.02 0.00 0.00 0.00 0.00 61.98 62.77 3i0y s VAL 87 Cb -0.15 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.46 3i0y s VAL 87 CO -0.03 0.37 -0.10 -1.00 0.00 0.00 0.00 175.10 174.34 3i0y s HIS 88 N 0.37 2.90 0.11 5.22 3.76 -0.06 -1.03 115.29 126.54 3i0y s HIS 88 Ca 0.24 -1.16 -0.06 0.00 -0.15 0.00 0.00 55.06 53.93 3i0y s HIS 88 Cb -0.15 -2.04 -0.02 0.00 1.11 0.00 0.00 32.58 31.48 3i0y s HIS 88 CO 0.09 -0.62 0.14 0.20 -0.85 0.00 0.00 174.74 173.70 3i0y s GLY 89 N 1.38 0.45 -0.07 -2.22 0.00 -0.15 -0.87 107.32 105.84 3i0y s GLY 89 Ca 0.05 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.79 3i0y s GLY 89 CO -0.06 -1.03 -0.04 -1.34 0.00 0.00 0.00 173.10 170.62 3i0y s VAL 90 N -3.94 0.66 -0.60 1.40 -7.23 0.20 -1.06 120.40 109.83 3i0y s VAL 90 Ca 0.12 -0.12 -0.20 0.00 -1.81 0.00 0.00 61.98 59.98 3i0y s VAL 90 Cb 0.06 -0.72 0.09 0.00 0.56 0.00 0.00 36.38 36.37 3i0y s VAL 90 CO -0.05 0.28 0.77 -0.47 -0.31 0.00 0.00 175.10 175.32 3i0y s TYR 91 N 1.42 2.91 -0.51 2.82 5.04 0.52 -0.67 117.35 128.88 3i0y s TYR 91 Ca -0.02 -0.80 0.11 0.00 -2.44 0.00 0.00 57.07 53.91 3i0y s TYR 91 Cb -0.13 -4.04 -0.11 0.00 0.35 0.00 0.00 41.96 38.02 3i0y s TYR 91 CO -0.03 -1.36 0.46 -2.39 -1.34 0.00 0.00 175.55 170.88 3i0y n HIS 92 N 6.69 0.00 -3.77 4.97 1.44 -0.53 -0.81 115.22 123.21 3i0y n HIS 92 Ca -0.08 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.51 3i0y n HIS 92 Cb 0.43 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.42 3i0y n HIS 92 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 3i0y s THR 93 N -2.00 -0.02 0.35 0.61 2.01 -1.09 -4.72 115.64 110.79 3i0y s THR 93 Ca 0.04 0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.83 3i0y s THR 93 Cb 0.08 -0.33 -0.11 0.00 0.01 0.00 0.00 72.50 72.15 3i0y s THR 93 CO 0.44 0.03 1.50 -0.89 -0.69 0.00 0.00 174.62 175.01 3i0y s THR 94 N 0.65 2.11 0.00 -0.82 2.01 -1.26 -4.53 115.64 113.80 3i0y s THR 94 Ca -0.04 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.06 3i0y s THR 94 Cb -0.06 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.39 3i0y s THR 94 CO -0.04 0.02 0.00 -0.67 -0.69 0.00 0.00 174.62 173.25 3i0y n ASP 95 N 0.97 0.00 -3.24 3.53 2.03 -1.26 -4.94 116.55 113.64 3i0y n ASP 95 Ca 0.03 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.20 3i0y n ASP 95 Cb 0.39 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.73 3i0y n ASP 95 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3i0y s GLU 96 N 1.12 0.79 -1.51 -0.67 2.02 -1.26 -4.89 118.70 114.29 3i0y s GLU 96 Ca 0.00 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 53.96 3i0y s GLU 96 Cb 0.00 -0.61 0.00 0.00 0.10 0.00 0.00 34.13 33.62 3i0y s GLU 96 CO 0.00 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 174.44 3i0y n GLY 97 N 3.79 1.43 3.96 -1.39 0.00 -1.26 -4.99 105.19 106.73 3i0y n GLY 97 Ca 0.16 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 3i0y n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i0y s LEU 98 N -3.23 3.11 0.85 0.99 1.43 -1.26 -5.06 118.68 115.50 3i0y s LEU 98 Ca 0.00 0.16 -0.14 0.00 -1.03 0.00 0.00 54.13 53.12 3i0y s LEU 98 Cb 0.00 -2.95 0.03 0.00 0.03 0.00 0.00 46.19 43.30 3i0y s LEU 98 CO 0.00 -1.31 0.64 -2.65 0.23 0.00 0.00 176.35 173.26 3i0y n PRO 99 N -2.55 -0.02 -2.00 1.29 -0.02 -1.26 -4.81 135.00 125.62 3i0y n PRO 99 Ca 0.08 0.05 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 3i0y n PRO 99 Cb 0.60 -1.99 -0.01 0.00 -0.02 0.00 0.00 33.50 32.08 3i0y n PRO 99 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3i0y s ASP 100 N -1.90 6.53 0.17 2.55 -4.77 -1.26 -4.67 116.67 113.33 3i0y s ASP 100 Ca 0.63 2.80 -0.02 0.00 -3.30 0.00 0.00 52.55 52.66 3i0y s ASP 100 Cb -0.27 -2.65 -0.05 0.00 -1.09 0.00 0.00 42.92 38.86 3i0y s ASP 100 CO 0.61 -0.71 0.37 0.00 0.70 0.00 0.00 175.17 176.14 3i0y s ALA 101 N -1.16 3.83 0.00 2.11 0.00 -1.26 -4.94 121.76 120.34 3i0y s ALA 101 Ca 0.52 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3i0y s ALA 101 Cb -0.42 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 20.68 3i0y s ALA 101 CO 0.55 0.54 0.41 0.27 0.00 0.00 0.00 175.76 177.53 3i0y n ASN 102 N -0.36 -0.04 0.00 0.00 6.94 -1.24 -4.70 115.26 115.86 3i0y n ASN 102 Ca -0.04 -0.81 0.00 0.00 -0.02 0.00 0.00 54.58 53.71 3i0y n ASN 102 Cb 0.53 0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 3i0y n ASN 102 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3i0y n GLY 103 N 0.00 1.12 3.77 4.83 0.00 0.01 -5.01 105.19 109.90 3i0y n GLY 103 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3i0y n GLY 103 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i0y s GLN 104 N -0.65 3.96 0.32 1.61 1.11 -1.16 -4.63 119.66 120.22 3i0y s GLN 104 Ca 0.00 2.23 0.03 0.00 0.01 0.00 0.00 55.36 57.62 3i0y s GLN 104 Cb 0.00 -2.78 -0.03 0.00 -1.01 0.00 0.00 33.01 29.20 3i0y s GLN 104 CO 0.00 -0.53 0.48 0.95 0.01 0.00 0.00 175.29 176.21 3i0y s THR 105 N -1.23 4.99 0.01 -0.19 -4.23 -1.26 -0.36 115.64 113.37 3i0y s THR 105 Ca 0.57 -0.70 -0.14 0.00 -1.18 0.00 0.00 61.69 60.24 3i0y s THR 105 Cb -0.40 -3.80 0.02 0.00 1.34 0.00 0.00 72.50 69.67 3i0y s THR 105 CO 0.51 -0.43 0.29 -0.72 -0.54 0.00 0.00 174.62 173.73 3i0y s TYR 106 N -2.20 -0.12 -0.12 3.99 1.13 -0.23 -4.63 117.35 115.16 3i0y s TYR 106 Ca 0.39 0.09 -0.02 0.00 -1.41 0.00 0.00 57.07 56.12 3i0y s TYR 106 Cb -0.09 0.08 0.04 0.00 -1.10 0.00 0.00 41.96 40.88 3i0y s TYR 106 CO 0.33 -0.43 0.01 0.08 -2.51 0.00 0.00 175.55 173.03 3i0y s VAL 107 N -1.89 0.49 -0.05 -3.49 1.01 -1.26 -0.98 120.40 114.24 3i0y s VAL 107 Ca -0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 3i0y s VAL 107 Cb -0.03 -0.78 0.04 0.00 0.00 0.00 0.00 36.38 35.61 3i0y s VAL 107 CO 0.01 0.08 0.11 -0.22 0.00 0.00 0.00 175.10 175.07 3i0y s LEU 108 N 1.91 0.82 0.72 3.92 2.96 -0.20 -4.96 118.68 123.84 3i0y s LEU 108 Ca 0.03 0.22 -0.14 0.00 -0.22 0.00 0.00 54.13 54.01 3i0y s LEU 108 Cb -0.14 0.22 0.03 0.00 0.50 0.00 0.00 46.19 46.80 3i0y s LEU 108 CO -0.07 -0.14 1.15 -2.84 -1.32 0.00 0.00 176.35 173.13 3i0y s PRO 109 N 1.16 2.32 0.31 0.98 0.02 -1.26 -0.23 135.00 138.31 3i0y s PRO 109 Ca -0.09 1.55 -0.07 0.00 0.02 0.00 0.00 61.00 62.41 3i0y s PRO 109 Cb -0.12 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.53 3i0y s PRO 109 CO -0.05 -1.65 0.50 0.20 -0.33 0.00 0.00 177.00 175.67 3i0y s GLY 110 N -2.40 1.08 0.23 0.52 0.00 -0.24 -4.46 107.32 102.05 3i0y s GLY 110 Ca 0.70 -1.25 -0.20 0.00 0.00 0.00 0.00 44.72 43.96 3i0y s GLY 110 CO 0.45 -0.83 0.64 -0.32 0.00 0.00 0.00 173.10 173.04 3i0y s GLY 111 N -3.15 -0.21 0.05 0.20 0.00 -0.34 -1.47 107.32 102.40 3i0y s GLY 111 Ca 0.27 -0.10 -0.12 0.00 0.00 0.00 0.00 44.72 44.77 3i0y s GLY 111 CO 0.16 -0.08 0.26 0.00 0.00 0.00 0.00 173.10 173.43 3i0y s ALA 112 N -3.87 -0.53 0.09 3.20 0.00 0.49 -0.71 121.76 120.43 3i0y s ALA 112 Ca 0.08 -0.16 0.09 0.00 0.00 0.00 0.00 51.96 51.98 3i0y s ALA 112 Cb -0.03 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 3i0y s ALA 112 CO -0.00 -0.41 -0.25 -0.06 0.00 0.00 0.00 175.76 175.04 3i0y s PHE 113 N -2.73 2.13 0.04 0.00 0.08 -0.40 -0.33 117.98 116.77 3i0y s PHE 113 Ca -0.04 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.64 3i0y s PHE 113 Cb -0.00 -1.21 -0.02 0.00 -0.57 0.00 0.00 43.02 41.21 3i0y s PHE 113 CO -0.05 0.21 -0.09 -0.06 -0.10 0.00 0.00 175.22 175.14 3i0y s PHE 114 N -0.96 0.76 -0.07 0.36 0.40 0.23 -0.76 117.98 117.94 3i0y s PHE 114 Ca 0.11 -0.45 -0.03 0.00 -0.60 0.00 0.00 56.93 55.95 3i0y s PHE 114 Cb -0.10 -0.45 -0.04 0.00 0.51 0.00 0.00 43.02 42.94 3i0y s PHE 114 CO 0.04 -0.05 0.09 -0.51 0.70 0.00 0.00 175.22 175.49 3i0y s ASP 115 N -1.45 5.89 -0.08 1.36 1.01 -1.12 -1.95 116.67 120.34 3i0y s ASP 115 Ca -0.07 0.29 0.03 0.00 0.71 0.00 0.00 52.55 53.50 3i0y s ASP 115 Cb -0.09 -1.79 0.01 0.00 1.01 0.00 0.00 42.92 42.06 3i0y s ASP 115 CO 0.01 0.35 -0.15 -0.69 0.21 0.00 0.00 175.17 174.90 3i0y s VAL 116 N -1.06 1.38 -0.06 -1.27 1.01 -0.10 -0.89 120.40 119.42 3i0y s VAL 116 Ca 0.18 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 3i0y s VAL 116 Cb -0.12 -1.24 0.04 0.00 0.00 0.00 0.00 36.38 35.06 3i0y s VAL 116 CO 0.07 0.41 0.12 -0.60 0.00 0.00 0.00 175.10 175.10 3i0y s ARG 117 N 0.59 0.06 -1.52 2.72 3.52 -0.24 -4.44 118.95 119.64 3i0y s ARG 117 Ca -0.16 0.34 -0.07 0.00 -0.13 0.00 0.00 55.73 55.71 3i0y s ARG 117 Cb -0.16 -0.20 0.06 0.00 -1.56 0.00 0.00 34.95 33.09 3i0y s ARG 117 CO 0.05 -0.17 0.59 -0.25 -0.81 0.00 0.00 175.30 174.70 3i0y n ASP 118 N 4.25 -1.69 -0.46 -2.12 8.00 -1.26 -1.60 116.55 121.67 3i0y n ASP 118 Ca -0.26 -0.99 -0.06 0.00 0.71 0.00 0.00 54.79 54.19 3i0y n ASP 118 Cb 0.51 -3.01 -0.03 0.00 -0.02 0.00 0.00 41.12 38.57 3i0y n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i0y n GLY 119 N -1.77 0.79 3.28 0.44 0.00 -1.26 -5.01 105.19 101.66 3i0y n GLY 119 Ca -0.15 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 3i0y n GLY 119 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i0y s GLN 120 N -2.09 1.12 -0.13 1.61 -0.21 -0.63 -5.01 119.66 114.32 3i0y s GLN 120 Ca 0.00 -1.24 -0.27 0.00 0.02 0.00 0.00 55.36 53.87 3i0y s GLN 120 Cb 0.00 -1.20 -0.02 0.00 1.00 0.00 0.00 33.01 32.79 3i0y s GLN 120 CO 0.00 0.26 0.91 0.42 -2.12 0.00 0.00 175.29 174.75 3i0y s ILE 121 N -1.69 4.85 -0.82 1.08 1.01 -0.40 -1.08 121.20 124.16 3i0y s ILE 121 Ca 0.09 1.82 0.08 0.00 0.00 0.00 0.00 60.65 62.64 3i0y s ILE 121 Cb -0.07 -4.22 0.02 0.00 0.01 0.00 0.00 42.46 38.20 3i0y s ILE 121 CO 0.05 0.04 0.62 0.35 0.00 0.00 0.00 174.94 176.00 3i0y n THR 122 N 4.55 0.00 -3.68 2.92 -2.24 -0.07 -1.23 114.28 114.53 3i0y n THR 122 Ca 0.06 -0.45 -0.13 0.00 -2.27 0.00 0.00 64.05 61.26 3i0y n THR 122 Cb 0.49 1.12 -0.09 0.00 -2.10 0.00 0.00 70.33 69.75 3i0y n THR 122 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3i0y s ARG 123 N -0.98 0.65 -0.19 -0.78 3.52 -1.21 -1.65 118.95 118.31 3i0y s ARG 123 Ca 0.07 0.82 -0.01 0.00 -0.13 0.00 0.00 55.73 56.48 3i0y s ARG 123 Cb 0.06 0.29 0.05 0.00 -1.56 0.00 0.00 34.95 33.79 3i0y s ARG 123 CO 0.16 -0.09 -0.02 0.08 -0.81 0.00 0.00 175.30 174.62 3i0y s VAL 124 N 0.47 0.97 -0.29 7.11 1.01 -0.07 -2.79 120.40 126.81 3i0y s VAL 124 Ca -0.01 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 3i0y s VAL 124 Cb -0.04 -1.28 0.05 0.00 0.00 0.00 0.00 36.38 35.11 3i0y s VAL 124 CO -0.02 -0.03 -0.03 -0.89 0.00 0.00 0.00 175.10 174.13 3i0y s THR 125 N 1.67 2.77 -0.04 3.92 2.01 0.07 -0.78 115.64 125.26 3i0y s THR 125 Ca -0.01 -1.44 -0.02 0.00 0.31 0.00 0.00 61.69 60.53 3i0y s THR 125 Cb -0.17 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 3i0y s THR 125 CO -0.07 -0.08 0.09 0.21 -0.69 0.00 0.00 174.62 174.08 3i0y s ASN 126 N 1.22 5.84 0.01 3.53 2.47 -0.80 -1.28 114.94 125.93 3i0y s ASN 126 Ca -0.06 0.24 0.01 0.00 0.42 0.00 0.00 52.86 53.46 3i0y s ASN 126 Cb -0.20 -1.74 -0.01 0.00 -1.45 0.00 0.00 41.25 37.85 3i0y s ASN 126 CO -0.02 0.32 -0.04 -0.31 -3.72 0.00 0.00 177.10 173.33 3i0y s TYR 127 N -1.13 0.33 0.10 0.43 2.02 0.12 -3.55 117.35 115.67 3i0y s TYR 127 Ca 0.20 -0.29 -0.26 0.00 -0.37 0.00 0.00 57.07 56.35 3i0y s TYR 127 Cb -0.12 -0.21 0.08 0.00 -0.40 0.00 0.00 41.96 41.31 3i0y s TYR 127 CO 0.11 -0.08 0.95 1.52 -1.57 0.00 0.00 175.55 176.48 3i0y s TYR 128 N -0.77 -0.18 -0.80 2.71 1.13 -1.26 -1.20 117.35 116.97 3i0y s TYR 128 Ca -0.07 -0.07 -0.23 0.00 -1.41 0.00 0.00 57.07 55.29 3i0y s TYR 128 Cb -0.06 0.61 0.06 0.00 -1.10 0.00 0.00 41.96 41.48 3i0y s TYR 128 CO -0.00 -0.73 1.18 1.21 -2.51 0.00 0.00 175.55 174.69 3i0y s ASN 129 N -2.82 6.31 0.31 -0.18 3.84 -1.26 -4.87 114.94 116.27 3i0y s ASN 129 Ca 0.10 -1.10 0.06 0.00 0.21 0.00 0.00 52.86 52.13 3i0y s ASN 129 Cb -0.01 -2.49 0.53 0.00 -0.55 0.00 0.00 41.25 38.73 3i0y s ASN 129 CO -0.01 -1.51 1.77 0.25 -2.79 0.00 0.00 177.10 174.82 3i0y h LEU 130 N 11.96 0.35 -0.68 3.21 5.85 -1.98 -2.26 115.31 131.77 3i0y h LEU 130 Ca -0.12 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 3i0y h LEU 130 Cb 1.05 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 3i0y h LEU 130 CO 1.25 0.61 0.25 1.56 -0.34 0.00 0.00 178.44 181.76 3i0y h GLN 131 N 0.31 1.03 -0.53 1.25 1.08 -2.00 -0.67 115.11 115.59 3i0y h GLN 131 Ca 0.05 -0.20 -0.10 0.00 -1.45 0.00 0.00 58.65 56.94 3i0y h GLN 131 Cb 0.62 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 3i0y h GLN 131 CO 0.04 0.87 -0.08 1.49 -0.95 0.00 0.00 178.83 180.21 3i0y h GLU 132 N 0.98 0.99 -0.37 1.46 4.57 -1.93 -0.98 114.58 119.29 3i0y h GLU 132 Ca 0.22 -0.35 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 3i0y h GLU 132 Cb 0.24 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 3i0y h GLU 132 CO -0.01 1.03 0.23 2.35 -1.18 0.00 0.00 179.01 181.42 3i0y h TRP 133 N 0.86 0.48 -0.62 0.92 7.01 -1.13 -0.60 115.95 122.87 3i0y h TRP 133 Ca 0.14 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.14 3i0y h TRP 133 Cb 0.63 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.50 3i0y h TRP 133 CO 0.05 0.34 0.40 0.82 -2.79 0.00 0.00 178.44 177.25 3i0y h ILE 134 N 0.49 1.17 -0.84 2.65 2.04 -0.87 -1.89 117.51 120.26 3i0y h ILE 134 Ca 0.13 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.67 3i0y h ILE 134 Cb -0.01 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.31 3i0y h ILE 134 CO -0.03 0.17 0.55 0.00 0.00 0.00 0.00 178.15 178.85 3i0y h ALA 135 N 1.21 1.07 -0.16 1.87 0.00 -0.79 -0.69 119.26 121.78 3i0y h ALA 135 Ca 0.23 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3i0y h ALA 135 Cb -0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3i0y h ALA 135 CO -0.05 0.45 0.03 1.96 0.00 0.00 0.00 179.25 181.65 3i0y h GLN 136 N 1.12 0.26 -0.00 0.00 4.20 -0.76 -3.10 115.11 116.84 3i0y h GLN 136 Ca 0.31 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.96 3i0y h GLN 136 Cb -0.11 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.64 3i0y h GLN 136 CO -0.08 0.43 -0.03 1.33 -0.67 0.00 0.00 178.83 179.81 3i0y n VAL 137 N -4.80 0.00 1.58 -0.54 0.24 -0.74 -4.94 118.33 109.12 3i0y n VAL 137 Ca -0.05 -0.02 0.14 0.00 -2.04 0.00 0.00 64.34 62.37 3i0y n VAL 137 Cb 0.18 -0.37 0.59 0.00 -1.47 0.00 0.00 33.84 32.77 3i0y n VAL 137 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49