#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n9u h THR 28 N 0.00 1.51 -3.98 -0.39 1.03 -2.07 -3.45 112.91 105.55 3n9u h THR 28 Ca 0.00 -2.18 -0.46 0.00 -0.01 0.00 0.00 66.41 63.77 3n9u h THR 28 Cb 0.00 2.85 -0.02 0.00 -1.07 0.00 0.00 68.15 69.91 3n9u h THR 28 CO 0.00 0.61 0.28 -0.54 -0.01 0.00 0.00 175.52 175.86 3n9u s LYS 29 N -2.93 4.14 0.47 0.00 1.02 -1.26 -5.03 119.74 116.16 3n9u s LYS 29 Ca -0.14 0.98 -0.23 0.00 0.02 0.00 0.00 55.97 56.60 3n9u s LYS 29 Cb 0.02 -2.24 -0.09 0.00 -0.52 0.00 0.00 37.83 34.99 3n9u s LYS 29 CO 0.79 -0.00 0.99 -2.30 -0.92 0.00 0.00 175.35 173.91 3n9u n PRO 30 N -0.66 1.24 0.29 -1.68 -0.02 -1.26 -4.79 135.00 128.13 3n9u n PRO 30 Ca 0.06 0.45 0.16 0.00 -2.02 0.00 0.00 63.50 62.15 3n9u n PRO 30 Cb 0.54 -2.07 0.90 0.00 -0.02 0.00 0.00 33.50 32.85 3n9u n PRO 30 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3n9u h LEU 31 N 1.28 0.00 -1.15 2.45 3.38 -1.95 -0.44 115.31 118.87 3n9u h LEU 31 Ca -0.46 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.46 3n9u h LEU 31 Cb 1.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 3n9u h LEU 31 CO 0.55 0.04 -0.28 0.71 0.09 0.00 0.00 178.44 179.56 3n9u h THR 32 N 0.00 0.72 0.00 0.22 1.35 -2.03 -3.27 112.91 109.91 3n9u h THR 32 Ca -0.00 -1.21 -0.23 0.00 -0.55 0.00 0.00 66.41 64.42 3n9u h THR 32 Cb 0.15 1.77 -0.04 0.00 -1.73 0.00 0.00 68.15 68.30 3n9u h THR 32 CO 0.01 0.27 -1.86 0.18 -0.25 0.00 0.00 175.52 173.87 3n9u n LEU 33 N -3.51 0.46 -3.36 3.87 4.77 -0.26 -4.85 117.00 114.12 3n9u n LEU 33 Ca -0.00 0.21 -0.10 0.00 -0.03 0.00 0.00 56.01 56.08 3n9u n LEU 33 Cb 0.44 0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 41.66 3n9u n LEU 33 CO 0.35 0.27 -0.07 -0.70 -1.33 0.00 0.00 177.39 175.91 3n9u s GLU 34 N -2.82 0.34 -0.23 3.23 2.12 -0.66 -5.02 118.70 115.66 3n9u s GLU 34 Ca -0.06 0.46 -0.05 0.00 0.36 0.00 0.00 54.97 55.67 3n9u s GLU 34 Cb 0.08 -0.54 -0.02 0.00 0.26 0.00 0.00 34.13 33.92 3n9u s GLU 34 CO 0.83 -0.68 0.01 0.50 -0.54 0.00 0.00 175.26 175.38 3n9u s ARG 35 N 2.52 3.53 -0.15 4.30 6.06 -1.25 -4.42 118.95 129.55 3n9u s ARG 35 Ca 0.12 -0.55 -0.08 0.00 -2.50 0.00 0.00 55.73 52.72 3n9u s ARG 35 Cb -0.15 -3.14 -0.04 0.00 0.06 0.00 0.00 34.95 31.67 3n9u s ARG 35 CO -0.17 -0.15 0.13 0.99 -2.50 0.00 0.00 175.30 173.60 3n9u s THR 36 N 1.43 5.40 -0.03 4.11 2.01 -1.26 -0.54 115.64 126.75 3n9u s THR 36 Ca 0.05 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.24 3n9u s THR 36 Cb -0.15 -3.39 0.02 0.00 0.01 0.00 0.00 72.50 68.99 3n9u s THR 36 CO 0.00 0.56 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.81 3n9u s ILE 37 N -0.52 0.54 -0.22 1.82 -1.09 0.04 -4.94 121.20 116.83 3n9u s ILE 37 Ca 0.12 -0.16 -0.27 0.00 -2.23 0.00 0.00 60.65 58.11 3n9u s ILE 37 Cb -0.12 -0.54 -0.00 0.00 -1.58 0.00 0.00 42.46 40.22 3n9u s ILE 37 CO 0.02 0.21 0.93 0.20 -1.23 0.00 0.00 174.94 175.07 3n9u s ASN 38 N 0.66 6.99 -0.00 3.58 0.01 -1.26 -0.73 114.94 124.19 3n9u s ASN 38 Ca -0.09 1.23 0.01 0.00 -0.71 0.00 0.00 52.86 53.30 3n9u s ASN 38 Cb -0.12 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 3n9u s ASN 38 CO 0.00 -0.56 0.03 -0.76 -1.51 0.00 0.00 177.10 174.30 3n9u s LEU 39 N 2.83 3.63 0.19 0.60 1.43 -0.34 -4.75 118.68 122.28 3n9u s LEU 39 Ca 0.40 0.04 0.10 0.00 -1.03 0.00 0.00 54.13 53.64 3n9u s LEU 39 Cb -0.16 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 3n9u s LEU 39 CO 0.08 0.28 -0.15 -0.31 0.23 0.00 0.00 176.35 176.48 3n9u s TYR 40 N -1.11 2.50 0.62 0.29 2.02 -1.26 -1.31 117.35 119.09 3n9u s TYR 40 Ca 0.20 -0.28 -0.16 0.00 -0.37 0.00 0.00 57.07 56.47 3n9u s TYR 40 Cb -0.12 -1.22 -0.02 0.00 -0.40 0.00 0.00 41.96 40.21 3n9u s TYR 40 CO 0.11 0.52 1.09 -1.25 -1.57 0.00 0.00 175.55 174.45 3n9u s PRO 41 N -2.83 3.05 0.41 -1.71 0.04 -1.26 -1.58 135.00 131.12 3n9u s PRO 41 Ca 0.24 1.35 0.08 0.00 0.04 0.00 0.00 61.00 62.71 3n9u s PRO 41 Cb -0.08 -1.99 0.89 0.00 0.04 0.00 0.00 34.50 33.36 3n9u s PRO 41 CO 0.13 -1.05 2.04 1.25 0.04 0.00 0.00 177.00 179.41 3n9u h LEU 42 N 0.31 0.46 -1.29 -3.56 5.85 -1.58 -0.33 115.31 115.16 3n9u h LEU 42 Ca -0.47 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3n9u h LEU 42 Cb 1.24 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3n9u h LEU 42 CO 0.56 0.32 0.12 0.71 -0.34 0.00 0.00 178.44 179.80 3n9u h THR 43 N 0.53 0.00 -0.00 1.05 1.35 -1.90 -0.03 112.91 113.90 3n9u h THR 43 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.05 3n9u h THR 43 Cb 0.08 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 66.93 3n9u h THR 43 CO -0.05 0.00 -0.02 0.59 -0.25 0.00 0.00 175.52 175.79 3n9u n ASN 44 N -2.22 0.03 -4.46 5.36 4.13 -0.14 -4.89 115.26 113.07 3n9u n ASN 44 Ca -0.01 0.38 -0.30 0.00 1.68 0.00 0.00 54.58 56.33 3n9u n ASN 44 Cb 0.15 -0.44 -0.12 0.00 -1.54 0.00 0.00 39.78 37.83 3n9u n ASN 44 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3n9u s TYR 45 N -2.95 2.53 0.27 3.10 2.02 -0.03 -3.71 117.35 118.58 3n9u s TYR 45 Ca 0.16 -0.27 0.12 0.00 -0.37 0.00 0.00 57.07 56.71 3n9u s TYR 45 Cb 0.19 -1.41 -0.05 0.00 -0.40 0.00 0.00 41.96 40.29 3n9u s TYR 45 CO 0.53 0.30 -0.20 0.95 -1.57 0.00 0.00 175.55 175.55 3n9u s THR 46 N -1.00 2.45 -0.05 -0.71 -4.23 -0.45 -5.01 115.64 106.64 3n9u s THR 46 Ca 0.16 -2.37 0.00 0.00 -1.18 0.00 0.00 61.69 58.30 3n9u s THR 46 Cb -0.10 -2.28 0.02 0.00 1.34 0.00 0.00 72.50 71.48 3n9u s THR 46 CO 0.07 -0.38 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.39 3n9u s PHE 47 N -2.44 0.66 0.24 3.99 0.08 -1.26 -0.94 117.98 118.31 3n9u s PHE 47 Ca 0.29 -0.17 0.01 0.00 0.12 0.00 0.00 56.93 57.18 3n9u s PHE 47 Cb -0.05 -0.66 -0.00 0.00 -0.57 0.00 0.00 43.02 41.74 3n9u s PHE 47 CO 0.14 -0.22 0.02 0.41 -0.10 0.00 0.00 175.22 175.47 3n9u n GLY 48 N 4.35 3.83 3.28 4.36 0.00 0.15 -4.95 105.19 116.21 3n9u n GLY 48 Ca -0.21 -2.21 -0.17 0.00 0.00 0.00 0.00 46.02 43.43 3n9u n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3n9u s THR 49 N -2.02 1.43 0.00 2.61 -4.23 -1.26 -1.36 115.64 110.81 3n9u s THR 49 Ca 0.03 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3n9u s THR 49 Cb 0.00 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 72.04 3n9u s THR 49 CO 0.02 -0.57 0.00 2.29 -0.54 0.00 0.00 174.62 175.82 3n9u n LYS 50 N 0.01 0.00 -1.93 3.99 2.85 -0.50 -4.73 118.16 117.85 3n9u n LYS 50 Ca -0.11 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.80 3n9u n LYS 50 Cb 0.59 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 35.01 3n9u n LYS 50 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3n9u s GLU 51 N -1.19 2.89 0.73 -1.58 0.41 -1.26 -1.22 118.70 117.48 3n9u s GLU 51 Ca 0.00 1.68 -0.15 0.00 -0.41 0.00 0.00 54.97 56.09 3n9u s GLU 51 Cb 0.00 -1.94 0.04 0.00 -1.78 0.00 0.00 34.13 30.46 3n9u s GLU 51 CO 0.00 -1.23 1.19 -1.25 -0.49 0.00 0.00 175.26 173.48 3n9u s PRO 52 N -3.57 2.14 -0.19 0.39 0.04 -1.26 -3.96 135.00 128.59 3n9u s PRO 52 Ca 0.74 1.71 0.01 0.00 0.04 0.00 0.00 61.00 63.49 3n9u s PRO 52 Cb -0.27 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.47 3n9u s PRO 52 CO 0.35 -1.82 -0.13 -1.17 0.04 0.00 0.00 177.00 174.27 3n9u s LEU 53 N -5.21 2.31 0.10 -3.56 0.20 -1.26 -4.91 118.68 106.35 3n9u s LEU 53 Ca 0.73 -0.83 -0.00 0.00 0.69 0.00 0.00 54.13 54.71 3n9u s LEU 53 Cb -0.28 -1.33 -0.04 0.00 -0.43 0.00 0.00 46.19 44.11 3n9u s LEU 53 CO 0.46 -0.10 0.26 -0.31 -0.29 0.00 0.00 176.35 176.37 3n9u s TYR 54 N 1.34 3.50 0.50 5.38 2.02 -1.26 -4.94 117.35 123.90 3n9u s TYR 54 Ca 0.00 0.27 -0.21 0.00 -0.37 0.00 0.00 57.07 56.76 3n9u s TYR 54 Cb -0.15 -1.78 -0.06 0.00 -0.40 0.00 0.00 41.96 39.56 3n9u s TYR 54 CO -0.09 0.54 1.16 -1.83 -1.57 0.00 0.00 175.55 173.76 3n9u s GLU 55 N -2.74 3.52 0.54 -0.62 -1.05 -1.26 -4.93 118.70 112.16 3n9u s GLU 55 Ca 0.36 1.74 0.22 0.00 -0.15 0.00 0.00 54.97 57.13 3n9u s GLU 55 Cb -0.12 -2.21 1.39 0.00 -0.44 0.00 0.00 34.13 32.75 3n9u s GLU 55 CO 0.28 -0.74 2.10 0.87 0.95 0.00 0.00 175.26 178.72 3n9u h LYS 56 N 1.62 0.00 -5.62 -4.83 1.57 -2.03 -3.42 116.57 103.86 3n9u h LYS 56 Ca -0.50 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.61 3n9u h LYS 56 Cb 1.26 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.30 3n9u h LYS 56 CO 0.58 0.00 -0.78 -0.51 -0.57 0.00 0.00 179.45 178.17 3n9u s ASP 57 N -6.56 3.87 0.00 0.86 1.01 -1.26 -5.02 116.67 109.57 3n9u s ASP 57 Ca -0.05 -0.33 0.25 0.00 0.71 0.00 0.00 52.55 53.14 3n9u s ASP 57 Cb 0.18 -1.35 0.54 0.00 1.01 0.00 0.00 42.92 43.29 3n9u s ASP 57 CO 0.67 0.21 1.43 -1.54 0.21 0.00 0.00 175.17 176.15 3n9u n SER 58 N 3.18 0.91 -3.84 0.27 3.41 -1.26 -4.89 113.62 111.40 3n9u n SER 58 Ca -0.18 -0.71 -0.10 0.00 -0.26 0.00 0.00 58.87 57.62 3n9u n SER 58 Cb 0.53 0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 64.68 3n9u n SER 58 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3n9u s SER 59 N -2.72 -0.06 0.18 4.04 1.04 -1.26 -5.00 113.70 109.92 3n9u s SER 59 Ca 0.18 -0.66 -0.13 0.00 0.48 0.00 0.00 55.95 55.82 3n9u s SER 59 Cb 0.18 0.46 0.15 0.00 0.10 0.00 0.00 66.02 66.92 3n9u s SER 59 CO 0.61 -0.91 1.79 0.58 0.98 0.00 0.00 173.24 176.29 3n9u h VAL 60 N 2.46 0.95 -0.47 5.02 2.07 -1.99 0.18 116.25 124.46 3n9u h VAL 60 Ca -0.32 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.10 3n9u h VAL 60 Cb 1.24 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 3n9u h VAL 60 CO 0.46 0.09 0.13 0.00 0.02 0.00 0.00 177.57 178.28 3n9u h ALA 61 N 1.29 0.55 -0.27 1.67 0.00 -2.00 -1.57 119.26 118.93 3n9u h ALA 61 Ca 0.23 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 3n9u h ALA 61 Cb 0.15 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3n9u h ALA 61 CO -0.17 -0.27 -0.25 0.00 0.00 0.00 0.00 179.25 178.57 3n9u h ALA 62 N 1.34 1.07 0.10 0.00 0.00 -1.79 -1.79 119.26 118.18 3n9u h ALA 62 Ca 0.23 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3n9u h ALA 62 Cb 0.27 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3n9u h ALA 62 CO -0.27 0.57 -0.26 -0.09 0.00 0.00 0.00 179.25 179.20 3n9u h ARG 63 N 0.46 -0.44 0.00 0.00 2.43 0.22 -2.00 114.38 115.06 3n9u h ARG 63 Ca 0.07 0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 3n9u h ARG 63 Cb 0.68 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 3n9u h ARG 63 CO 0.05 -0.29 -0.48 0.74 -1.51 0.00 0.00 179.97 178.48 3n9u h PHE 64 N -0.45 0.00 0.00 2.20 0.04 -1.18 -2.36 116.94 115.19 3n9u h PHE 64 Ca 0.04 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 3n9u h PHE 64 Cb 0.49 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.64 3n9u h PHE 64 CO -0.25 0.48 -0.00 0.37 -0.60 0.00 0.00 178.31 178.31 3n9u h GLN 65 N 0.00 -0.00 -0.74 1.51 5.75 -1.19 -1.10 115.11 119.34 3n9u h GLN 65 Ca -0.00 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 3n9u h GLN 65 Cb 1.06 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.57 3n9u h GLN 65 CO 0.06 0.22 0.49 -0.09 -2.65 0.00 0.00 178.83 176.86 3n9u h ARG 66 N -0.23 0.97 -0.60 1.69 2.43 -1.30 -1.34 114.38 116.00 3n9u h ARG 66 Ca -0.00 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 3n9u h ARG 66 Cb 0.23 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3n9u h ARG 66 CO 0.00 0.64 0.26 1.98 -1.51 0.00 0.00 179.97 181.34 3n9u h MET 67 N 0.99 0.87 -0.44 0.20 4.05 -1.22 0.63 114.93 120.03 3n9u h MET 67 Ca 0.27 -0.14 -0.02 0.00 -0.28 0.00 0.00 59.70 59.53 3n9u h MET 67 Cb -0.10 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.53 3n9u h MET 67 CO -0.06 0.73 0.18 0.00 0.23 0.00 0.00 176.91 177.99 3n9u h ARG 68 N 0.82 0.65 -0.20 0.39 3.08 -0.78 -0.18 114.38 118.16 3n9u h ARG 68 Ca 0.20 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 3n9u h ARG 68 Cb 0.16 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3n9u h ARG 68 CO -0.02 0.59 -0.02 0.93 -1.07 0.00 0.00 179.97 180.37 3n9u h GLU 69 N 0.56 0.36 -0.02 0.04 5.08 -0.89 -2.11 114.58 117.61 3n9u h GLU 69 Ca 0.15 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3n9u h GLU 69 Cb 0.18 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3n9u h GLU 69 CO -0.01 0.59 -0.16 0.93 -1.00 0.00 0.00 179.01 179.36 3n9u h GLU 70 N 0.10 0.03 -0.40 2.33 5.08 -0.85 -0.93 114.58 119.93 3n9u h GLU 70 Ca 0.05 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3n9u h GLU 70 Cb 0.44 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3n9u h GLU 70 CO 0.01 0.19 0.02 0.35 -1.00 0.00 0.00 179.01 178.59 3n9u h PHE 71 N 0.03 0.76 -0.41 4.33 3.57 -0.65 0.38 116.94 124.95 3n9u h PHE 71 Ca 0.00 -0.12 -0.14 0.00 3.53 0.00 0.00 57.97 61.24 3n9u h PHE 71 Cb 0.30 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3n9u h PHE 71 CO 0.00 0.76 -0.28 -0.44 -2.23 0.00 0.00 178.31 176.12 3n9u h ASP 72 N 0.53 0.97 0.49 0.41 3.32 -1.01 -1.89 116.42 119.24 3n9u h ASP 72 Ca 0.12 -0.43 -0.30 0.00 0.02 0.00 0.00 57.03 56.44 3n9u h ASP 72 Cb 0.45 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.74 3n9u h ASP 72 CO 0.02 1.19 -1.39 0.11 -1.72 0.00 0.00 179.24 177.45 3n9u h LYS 73 N 0.75 0.33 0.00 3.56 1.57 -1.07 -3.43 116.57 118.28 3n9u h LYS 73 Ca 0.08 -0.57 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3n9u h LYS 73 Cb 0.87 0.21 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 3n9u h LYS 73 CO 0.08 1.25 -0.54 -0.89 -0.57 0.00 0.00 179.45 178.78 3n9u n ILE 74 N -3.56 0.58 0.00 1.86 5.41 0.12 -5.08 119.36 118.70 3n9u n ILE 74 Ca -0.13 0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.81 3n9u n ILE 74 Cb 1.05 -1.54 0.00 0.00 -0.71 0.00 0.00 39.64 38.44 3n9u n ILE 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3n9u n GLY 75 N 3.23 0.87 3.64 7.39 0.00 -0.59 -5.00 105.19 114.72 3n9u n GLY 75 Ca -0.00 -1.91 -0.48 0.00 0.00 0.00 0.00 46.02 43.62 3n9u n GLY 75 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3n9u n MET 76 N 0.00 1.73 -2.08 1.61 0.00 -1.26 -3.92 117.12 113.20 3n9u n MET 76 Ca 0.00 0.62 -0.41 0.00 -0.00 0.00 0.00 57.70 57.91 3n9u n MET 76 Cb 0.00 -2.34 -0.02 0.00 0.00 0.00 0.00 33.22 30.86 3n9u n MET 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 3n9u s ARG 77 N 0.70 4.32 -0.28 2.12 3.52 -0.66 -4.89 118.95 123.78 3n9u s ARG 77 Ca 0.81 2.24 -0.01 0.00 -0.13 0.00 0.00 55.73 58.64 3n9u s ARG 77 Cb -0.79 -3.10 0.05 0.00 -1.56 0.00 0.00 34.95 29.54 3n9u s ARG 77 CO 0.42 -0.30 -0.04 1.03 -0.81 0.00 0.00 175.30 175.60 3n9u s ARG 78 N -0.95 2.49 0.08 5.12 0.52 -1.26 -0.45 118.95 124.50 3n9u s ARG 78 Ca 0.54 -1.21 0.07 0.00 -0.52 0.00 0.00 55.73 54.61 3n9u s ARG 78 Cb -0.40 -3.08 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 3n9u s ARG 78 CO 0.47 -0.56 -0.13 0.95 0.02 0.00 0.00 175.30 176.05 3n9u s THR 79 N 1.24 3.14 -0.01 0.02 -4.23 0.33 -0.48 115.64 115.65 3n9u s THR 79 Ca -0.05 -1.25 0.04 0.00 -1.18 0.00 0.00 61.69 59.25 3n9u s THR 79 Cb -0.19 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.22 3n9u s THR 79 CO -0.03 0.19 -0.14 0.68 -0.54 0.00 0.00 174.62 174.79 3n9u s VAL 80 N -1.11 1.09 0.05 2.29 -7.23 -0.54 -0.85 120.40 114.11 3n9u s VAL 80 Ca 0.18 -0.59 0.03 0.00 -1.81 0.00 0.00 61.98 59.80 3n9u s VAL 80 Cb -0.11 -0.91 -0.03 0.00 0.56 0.00 0.00 36.38 35.90 3n9u s VAL 80 CO 0.10 0.31 -0.10 -1.61 -0.31 0.00 0.00 175.10 173.49 3n9u s GLU 81 N -0.30 0.64 -0.08 4.82 2.02 -0.36 -1.00 118.70 124.45 3n9u s GLU 81 Ca 0.05 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.21 3n9u s GLU 81 Cb -0.06 -0.50 -0.03 0.00 0.10 0.00 0.00 34.13 33.65 3n9u s GLU 81 CO -0.00 0.10 -0.11 0.20 0.02 0.00 0.00 175.26 175.47 3n9u s GLY 82 N -1.65 1.61 -0.34 -1.39 0.00 0.31 -1.33 107.32 104.53 3n9u s GLY 82 Ca -0.07 -0.92 -0.08 0.00 0.00 0.00 0.00 44.72 43.65 3n9u s GLY 82 CO 0.01 -0.58 0.13 0.14 0.00 0.00 0.00 173.10 172.80 3n9u s VAL 83 N -0.50 4.05 -0.16 1.40 1.01 0.22 -4.12 120.40 122.31 3n9u s VAL 83 Ca 0.07 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 3n9u s VAL 83 Cb -0.12 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 3n9u s VAL 83 CO 0.02 -0.15 -0.06 -0.76 0.00 0.00 0.00 175.10 174.16 3n9u s LEU 84 N 1.47 3.06 -0.05 3.92 1.02 -1.26 -0.94 118.68 125.90 3n9u s LEU 84 Ca 0.00 -0.23 0.04 0.00 0.02 0.00 0.00 54.13 53.97 3n9u s LEU 84 Cb -0.19 -1.74 -0.00 0.00 0.02 0.00 0.00 46.19 44.28 3n9u s LEU 84 CO 0.04 0.13 -0.18 -0.63 0.02 0.00 0.00 176.35 175.73 3n9u s ILE 85 N 0.61 1.48 0.42 -0.59 1.01 -1.26 -1.09 121.20 121.78 3n9u s ILE 85 Ca -0.04 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 59.92 3n9u s ILE 85 Cb -0.15 -1.27 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 3n9u s ILE 85 CO 0.03 0.42 0.03 0.68 0.00 0.00 0.00 174.94 176.10 3n9u s VAL 86 N 0.04 1.49 0.02 2.92 -7.23 -0.54 -4.61 120.40 112.48 3n9u s VAL 86 Ca -0.04 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.19 3n9u s VAL 86 Cb -0.12 -2.68 -0.02 0.00 0.56 0.00 0.00 36.38 34.12 3n9u s VAL 86 CO 0.02 0.00 -0.20 -1.38 -0.31 0.00 0.00 175.10 173.24 3n9u s HIS 87 N -2.92 1.74 -0.00 2.82 -3.43 -0.62 -0.31 115.29 112.58 3n9u s HIS 87 Ca 0.27 -0.35 -0.12 0.00 -0.80 0.00 0.00 55.06 54.05 3n9u s HIS 87 Cb 0.07 -1.07 0.02 0.00 -1.43 0.00 0.00 32.58 30.16 3n9u s HIS 87 CO 0.13 0.04 0.26 -2.00 -2.00 0.00 0.00 174.74 171.17 3n9u s GLU 88 N -0.88 0.63 -1.46 -0.38 2.56 -1.05 -1.35 118.70 116.77 3n9u s GLU 88 Ca 0.07 -0.30 -0.08 0.00 0.00 0.00 0.00 54.97 54.66 3n9u s GLU 88 Cb -0.08 0.27 0.01 0.00 2.00 0.00 0.00 34.13 36.33 3n9u s GLU 88 CO 0.01 -0.17 0.16 0.72 -0.56 0.00 0.00 175.26 175.41 3n9u n HIS 89 N 1.24 -1.27 -0.91 5.30 8.25 -1.26 -1.48 115.22 125.09 3n9u n HIS 89 Ca -0.22 0.47 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 3n9u n HIS 89 Cb 0.56 -2.76 0.00 0.00 1.12 0.00 0.00 29.99 28.92 3n9u n HIS 89 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3n9u n ARG 90 N -4.67 -0.19 -4.01 -0.41 1.74 -1.26 -4.97 116.66 102.89 3n9u n ARG 90 Ca -0.28 0.05 -0.14 0.00 -0.77 0.00 0.00 57.85 56.72 3n9u n ARG 90 Cb 0.66 -3.22 -0.14 0.00 -1.02 0.00 0.00 32.46 28.74 3n9u n ARG 90 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3n9u s LEU 91 N 0.00 2.01 0.48 0.55 2.96 -0.55 -5.13 118.68 119.01 3n9u s LEU 91 Ca 0.00 -0.06 -0.23 0.00 -0.22 0.00 0.00 54.13 53.61 3n9u s LEU 91 Cb 0.00 -0.12 -0.07 0.00 0.50 0.00 0.00 46.19 46.50 3n9u s LEU 91 CO 0.00 0.02 1.32 -2.84 -1.32 0.00 0.00 176.35 173.53 3n9u s PRO 92 N -0.12 3.53 -0.03 0.98 0.02 -1.26 -2.52 135.00 135.60 3n9u s PRO 92 Ca 0.00 2.15 0.04 0.00 0.02 0.00 0.00 61.00 63.21 3n9u s PRO 92 Cb -0.01 -2.46 -0.00 0.00 0.02 0.00 0.00 34.50 32.05 3n9u s PRO 92 CO -0.00 -0.85 -0.16 -1.01 -0.33 0.00 0.00 177.00 174.65 3n9u s HIS 93 N -1.33 1.55 -0.10 6.54 3.76 0.58 -2.76 115.29 123.53 3n9u s HIS 93 Ca 0.65 -0.41 -0.11 0.00 -0.15 0.00 0.00 55.06 55.04 3n9u s HIS 93 Cb -0.38 -1.04 -0.05 0.00 1.11 0.00 0.00 32.58 32.22 3n9u s HIS 93 CO 0.46 -0.13 0.25 0.08 -0.85 0.00 0.00 174.74 174.55 3n9u s VAL 94 N -0.01 5.32 -0.21 -0.90 1.01 0.02 -1.46 120.40 124.17 3n9u s VAL 94 Ca -0.02 0.45 -0.29 0.00 0.00 0.00 0.00 61.98 62.13 3n9u s VAL 94 Cb -0.10 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3n9u s VAL 94 CO 0.01 0.54 1.06 -0.76 0.00 0.00 0.00 175.10 175.96 3n9u s LEU 95 N -0.58 4.12 0.07 3.92 1.43 -0.25 -0.72 118.68 126.68 3n9u s LEU 95 Ca 0.17 1.43 0.09 0.00 -1.03 0.00 0.00 54.13 54.80 3n9u s LEU 95 Cb -0.13 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 3n9u s LEU 95 CO 0.06 -0.66 -0.24 -0.76 0.23 0.00 0.00 176.35 174.98 3n9u s LEU 96 N 3.11 2.33 -0.16 1.79 1.43 0.51 -4.66 118.68 123.04 3n9u s LEU 96 Ca 0.46 -0.60 -0.20 0.00 -1.03 0.00 0.00 54.13 52.76 3n9u s LEU 96 Cb -0.16 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 3n9u s LEU 96 CO 0.08 0.23 0.57 -0.76 0.23 0.00 0.00 176.35 176.70 3n9u s LEU 97 N -1.56 4.20 -0.15 1.79 1.43 0.05 -0.22 118.68 124.22 3n9u s LEU 97 Ca 0.13 0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 54.03 3n9u s LEU 97 Cb -0.10 -2.81 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 3n9u s LEU 97 CO 0.04 -0.15 -0.05 -1.58 0.23 0.00 0.00 176.35 174.84 3n9u s GLN 98 N 1.34 3.63 -0.33 1.70 0.74 0.92 -0.47 119.66 127.18 3n9u s GLN 98 Ca 0.28 -0.55 -0.07 0.00 0.05 0.00 0.00 55.36 55.08 3n9u s GLN 98 Cb -0.16 -2.87 0.03 0.00 1.10 0.00 0.00 33.01 31.11 3n9u s GLN 98 CO 0.11 0.24 0.10 -1.17 -0.55 0.00 0.00 175.29 174.01 3n9u s LEU 99 N 0.37 4.19 0.00 3.68 2.96 0.11 -1.35 118.68 128.64 3n9u s LEU 99 Ca -0.05 -1.02 0.00 0.00 -0.22 0.00 0.00 54.13 52.84 3n9u s LEU 99 Cb -0.14 -1.87 0.00 0.00 0.50 0.00 0.00 46.19 44.67 3n9u s LEU 99 CO 0.03 -0.29 0.00 0.61 -1.32 0.00 0.00 176.35 175.38 3n9u n GLY 100 N 4.83 1.15 0.13 7.98 0.00 -1.26 -2.95 105.19 115.07 3n9u n GLY 100 Ca -0.13 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 3n9u n GLY 100 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3n9u n THR 101 N 0.00 1.50 -0.09 2.61 -1.04 -1.26 -4.85 114.28 111.15 3n9u n THR 101 Ca 0.00 -0.54 0.00 0.00 -2.04 0.00 0.00 64.05 61.47 3n9u n THR 101 Cb 0.00 -1.51 0.00 0.00 -1.82 0.00 0.00 70.33 67.00 3n9u n THR 101 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3n9u n THR 102 N -3.44 0.00 -3.83 12.58 -2.24 -1.26 -5.04 114.28 111.06 3n9u n THR 102 Ca -0.47 -0.23 -0.35 0.00 -2.27 0.00 0.00 64.05 60.72 3n9u n THR 102 Cb 0.97 1.09 -0.09 0.00 -2.10 0.00 0.00 70.33 70.20 3n9u n THR 102 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3n9u s PHE 103 N -0.39 3.32 0.01 4.78 5.36 -1.15 -4.88 117.98 125.02 3n9u s PHE 103 Ca 0.00 0.18 0.04 0.00 -0.96 0.00 0.00 56.93 56.18 3n9u s PHE 103 Cb 0.00 -2.15 -0.01 0.00 -0.34 0.00 0.00 43.02 40.52 3n9u s PHE 103 CO 0.00 0.17 -0.11 -0.06 -1.46 0.00 0.00 175.22 173.76 3n9u s PHE 104 N 0.54 0.97 0.11 10.12 0.08 -1.26 -0.71 117.98 127.83 3n9u s PHE 104 Ca 0.06 -0.26 -0.08 0.00 0.12 0.00 0.00 56.93 56.77 3n9u s PHE 104 Cb -0.12 -0.60 -0.01 0.00 -0.57 0.00 0.00 43.02 41.72 3n9u s PHE 104 CO 0.00 -0.01 0.19 -1.59 -0.10 0.00 0.00 175.22 173.72 3n9u s LYS 105 N -0.65 0.92 0.24 0.44 -2.85 0.38 -4.98 119.74 113.22 3n9u s LYS 105 Ca 0.02 -1.07 -0.14 0.00 -1.00 0.00 0.00 55.97 53.78 3n9u s LYS 105 Cb -0.06 0.34 -0.08 0.00 -2.06 0.00 0.00 37.83 35.97 3n9u s LYS 105 CO 0.00 -0.30 0.64 -0.51 0.10 0.00 0.00 175.35 175.29 3n9u s LEU 106 N -2.91 4.21 0.21 2.77 1.43 -1.26 -0.77 118.68 122.37 3n9u s LEU 106 Ca 0.10 1.17 -0.31 0.00 -1.03 0.00 0.00 54.13 54.06 3n9u s LEU 106 Cb 0.05 -3.68 -0.10 0.00 0.03 0.00 0.00 46.19 42.49 3n9u s LEU 106 CO -0.07 -0.05 1.51 -2.16 0.23 0.00 0.00 176.35 175.81 3n9u s PRO 107 N -2.48 4.23 0.00 1.29 0.04 -1.26 -4.85 135.00 131.98 3n9u s PRO 107 Ca 0.46 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.85 3n9u s PRO 107 Cb -0.13 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.29 3n9u s PRO 107 CO 0.19 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.13 3n9u n GLY 108 N 2.88 -0.51 0.00 0.56 0.00 -1.26 -0.53 105.19 106.33 3n9u n GLY 108 Ca 0.10 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3n9u n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n9u n GLY 109 N 0.00 -0.52 3.76 -0.02 0.00 -0.17 -4.96 105.19 103.28 3n9u n GLY 109 Ca 0.00 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 3n9u n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3n9u s GLU 110 N -1.65 4.19 0.42 1.61 2.02 -1.26 -1.47 118.70 122.55 3n9u s GLU 110 Ca 0.00 0.39 -0.23 0.00 0.02 0.00 0.00 54.97 55.16 3n9u s GLU 110 Cb 0.00 -3.36 -0.09 0.00 0.10 0.00 0.00 34.13 30.78 3n9u s GLU 110 CO 0.00 0.36 1.02 -0.51 0.02 0.00 0.00 175.26 176.15 3n9u s LEU 111 N -0.01 4.05 0.60 1.80 1.43 0.36 -4.97 118.68 121.95 3n9u s LEU 111 Ca 0.24 1.93 -0.14 0.00 -1.03 0.00 0.00 54.13 55.14 3n9u s LEU 111 Cb -0.15 -4.32 -0.04 0.00 0.03 0.00 0.00 46.19 41.71 3n9u s LEU 111 CO 0.11 -0.50 1.03 0.20 0.23 0.00 0.00 176.35 177.42 3n9u s ASN 112 N -1.77 6.05 0.06 2.29 0.02 -1.26 -4.75 114.94 115.58 3n9u s ASN 112 Ca 0.60 1.59 -0.37 0.00 -1.02 0.00 0.00 52.86 53.66 3n9u s ASN 112 Cb -0.18 -2.50 -0.17 0.00 0.02 0.00 0.00 41.25 38.42 3n9u s ASN 112 CO 0.23 -0.99 1.35 -2.65 0.02 0.00 0.00 177.10 175.07 3n9u n PRO 113 N -2.35 1.10 -0.61 -0.60 -0.02 -1.26 -1.64 135.00 129.62 3n9u n PRO 113 Ca 0.07 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3n9u n PRO 113 Cb 0.54 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3n9u n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3n9u n GLY 114 N 2.58 1.16 3.76 -1.23 0.00 -1.26 -4.99 105.19 105.21 3n9u n GLY 114 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3n9u n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3n9u s GLU 115 N -0.19 4.59 0.32 1.61 2.12 -0.65 -4.99 118.70 121.51 3n9u s GLU 115 Ca 0.00 1.87 -0.29 0.00 0.36 0.00 0.00 54.97 56.91 3n9u s GLU 115 Cb 0.00 -3.18 -0.10 0.00 0.26 0.00 0.00 34.13 31.11 3n9u s GLU 115 CO 0.00 0.13 1.38 0.34 -0.54 0.00 0.00 175.26 176.58 3n9u s ASP 116 N -0.74 6.64 0.13 -1.70 2.15 -1.26 -4.90 116.67 116.99 3n9u s ASP 116 Ca 0.46 2.77 -0.16 0.00 0.43 0.00 0.00 52.55 56.05 3n9u s ASP 116 Cb -0.33 -2.65 -0.00 0.00 -0.30 0.00 0.00 42.92 39.64 3n9u s ASP 116 CO 0.42 -0.66 1.68 -0.33 -0.17 0.00 0.00 175.17 176.11 3n9u h GLU 117 N 3.69 0.61 -0.10 4.34 5.08 -1.98 0.11 114.58 126.33 3n9u h GLU 117 Ca -0.49 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 57.72 3n9u h GLU 117 Cb 1.23 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 3n9u h GLU 117 CO 0.68 0.57 -0.09 0.28 -1.00 0.00 0.00 179.01 179.45 3n9u h VAL 118 N 0.51 1.36 -0.96 3.13 2.07 -1.96 -0.72 116.25 119.68 3n9u h VAL 118 Ca 0.13 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.42 3n9u h VAL 118 Cb 0.20 1.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 3n9u h VAL 118 CO -0.01 0.35 0.61 -0.33 0.02 0.00 0.00 177.57 178.21 3n9u h GLU 119 N -0.17 1.28 -0.46 1.57 4.39 -1.94 -1.70 114.58 117.55 3n9u h GLU 119 Ca 0.02 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 3n9u h GLU 119 Cb 0.60 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 3n9u h GLU 119 CO 0.02 0.87 0.25 0.78 -1.16 0.00 0.00 179.01 179.77 3n9u h GLY 120 N 1.31 0.68 1.07 -3.84 0.00 -0.73 -1.24 103.07 100.32 3n9u h GLY 120 Ca 0.35 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 3n9u h GLY 120 CO -0.07 0.30 0.22 -2.00 0.00 0.00 0.00 176.54 174.99 3n9u h LEU 121 N 0.60 1.09 -0.75 3.11 5.85 -0.72 -1.18 115.31 123.29 3n9u h LEU 121 Ca 0.16 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3n9u h LEU 121 Cb 0.06 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 3n9u h LEU 121 CO -0.02 1.01 0.48 0.11 -0.34 0.00 0.00 178.44 179.68 3n9u h LYS 122 N 1.11 0.93 0.13 1.25 1.57 -1.15 0.28 116.57 120.68 3n9u h LYS 122 Ca 0.24 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3n9u h LYS 122 Cb 0.32 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3n9u h LYS 122 CO -0.01 0.61 -0.12 -0.09 -0.57 0.00 0.00 179.45 179.27 3n9u h ARG 123 N 0.95 -0.26 -0.81 3.15 2.43 -0.87 -1.62 114.38 117.35 3n9u h ARG 123 Ca 0.30 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3n9u h ARG 123 Cb -0.02 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 3n9u h ARG 123 CO -0.10 -0.18 0.50 -0.07 -1.51 0.00 0.00 179.97 178.61 3n9u h LEU 124 N -0.27 0.96 -0.72 3.80 3.38 -0.97 0.13 115.31 121.62 3n9u h LEU 124 Ca 0.00 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3n9u h LEU 124 Cb 0.26 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3n9u h LEU 124 CO -0.03 0.73 0.28 0.24 0.09 0.00 0.00 178.44 179.75 3n9u h MET 125 N 1.10 1.08 -0.39 1.13 2.86 -0.87 -0.67 114.93 119.17 3n9u h MET 125 Ca 0.29 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.66 3n9u h MET 125 Cb -0.07 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.41 3n9u h MET 125 CO -0.06 0.89 -0.02 1.15 1.06 0.00 0.00 176.91 179.93 3n9u h THR 126 N 1.03 1.26 -0.64 2.22 2.02 -0.65 0.30 112.91 118.45 3n9u h THR 126 Ca 0.24 -1.05 0.06 0.00 0.77 0.00 0.00 66.41 66.44 3n9u h THR 126 Cb 0.22 1.17 -0.06 0.00 -1.74 0.00 0.00 68.15 67.75 3n9u h THR 126 CO -0.02 0.35 0.34 -0.33 0.37 0.00 0.00 175.52 176.23 3n9u h GLU 127 N 0.51 0.61 0.04 6.66 5.08 -0.38 0.19 114.58 127.30 3n9u h GLU 127 Ca 0.11 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 3n9u h GLU 127 Cb 0.51 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3n9u h GLU 127 CO 0.02 0.40 -0.42 0.82 -1.00 0.00 0.00 179.01 178.84 3n9u h ILE 128 N 0.63 1.59 -0.12 3.13 2.04 -0.92 -3.39 117.51 120.47 3n9u h ILE 128 Ca 0.29 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.77 3n9u h ILE 128 Cb 0.21 3.19 0.00 0.00 -0.74 0.00 0.00 36.82 39.48 3n9u h ILE 128 CO -0.20 0.61 0.00 0.18 0.00 0.00 0.00 178.15 178.75 3n9u n LEU 129 N -4.43 2.12 -4.78 1.44 4.77 0.10 -4.20 117.00 112.03 3n9u n LEU 129 Ca -0.14 -1.42 -0.33 0.00 -0.03 0.00 0.00 56.01 54.09 3n9u n LEU 129 Cb 0.61 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.68 3n9u n LEU 129 CO 0.37 0.48 0.73 -0.83 -1.33 0.00 0.00 177.39 176.80 3n9u s GLY 130 N -0.83 2.04 0.30 -0.72 0.00 0.66 -1.50 107.32 107.27 3n9u s GLY 130 Ca 0.13 0.45 -0.16 0.00 0.00 0.00 0.00 44.72 45.13 3n9u s GLY 130 CO 0.11 0.79 0.74 0.50 0.00 0.00 0.00 173.10 175.24 3n9u s ARG 131 N -4.28 4.07 0.24 2.90 0.52 -1.26 -4.44 118.95 116.70 3n9u s ARG 131 Ca 0.65 0.73 0.07 0.00 -0.52 0.00 0.00 55.73 56.66 3n9u s ARG 131 Cb -0.19 -2.53 0.24 0.00 0.52 0.00 0.00 34.95 32.99 3n9u s ARG 131 CO 0.44 0.21 1.55 1.96 0.02 0.00 0.00 175.30 179.47 3n9u h GLN 132 N 2.52 0.10 -0.28 3.54 1.08 -1.94 -3.10 115.11 117.03 3n9u h GLN 132 Ca -0.48 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 56.64 3n9u h GLN 132 Cb 1.18 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 3n9u h GLN 132 CO 0.65 0.73 0.00 -0.40 -0.95 0.00 0.00 178.83 178.86 3n9u n ASP 133 N -3.78 0.28 0.00 1.46 5.68 -1.26 -4.88 116.55 114.05 3n9u n ASP 133 Ca -0.02 -1.39 0.00 0.00 -0.50 0.00 0.00 54.79 52.88 3n9u n ASP 133 Cb 0.66 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 3n9u n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3n9u n GLY 134 N 0.18 2.13 3.64 6.12 0.00 -1.17 -4.96 105.19 111.12 3n9u n GLY 134 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3n9u n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n9u s VAL 135 N -1.83 3.49 0.29 1.61 1.01 -1.26 -4.96 120.40 118.75 3n9u s VAL 135 Ca 0.00 0.57 -0.29 0.00 0.00 0.00 0.00 61.98 62.26 3n9u s VAL 135 Cb 0.00 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 3n9u s VAL 135 CO 0.00 -0.16 1.04 -0.76 0.00 0.00 0.00 175.10 175.22 3n9u s LEU 136 N 5.20 4.51 0.50 3.92 1.43 -1.26 -4.42 118.68 128.56 3n9u s LEU 136 Ca 0.78 2.12 -0.19 0.00 -1.03 0.00 0.00 54.13 55.81 3n9u s LEU 136 Cb -0.30 -3.73 -0.08 0.00 0.03 0.00 0.00 46.19 42.11 3n9u s LEU 136 CO 0.32 -0.10 1.01 -1.10 0.23 0.00 0.00 176.35 176.70 3n9u s GLN 137 N -1.56 3.84 -0.58 1.70 1.11 -1.26 -5.04 119.66 117.87 3n9u s GLN 137 Ca 0.46 1.20 -0.09 0.00 0.01 0.00 0.00 55.36 56.94 3n9u s GLN 137 Cb -0.28 -2.11 0.15 0.00 -1.01 0.00 0.00 33.01 29.76 3n9u s GLN 137 CO 0.36 -0.38 0.46 0.34 0.01 0.00 0.00 175.29 176.08 3n9u s ASP 138 N -2.37 5.81 -0.04 5.90 2.15 -1.26 -5.06 116.67 121.80 3n9u s ASP 138 Ca 0.64 -2.31 -0.28 0.00 0.43 0.00 0.00 52.55 51.04 3n9u s ASP 138 Cb -0.13 -2.02 -0.03 0.00 -0.30 0.00 0.00 42.92 40.44 3n9u s ASP 138 CO 0.23 -0.59 0.89 0.26 -0.17 0.00 0.00 175.17 175.79 3n9u s TRP 139 N 0.77 3.60 -0.20 -5.34 0.52 -1.26 -4.50 118.94 112.52 3n9u s TRP 139 Ca 0.11 1.52 -0.02 0.00 0.02 0.00 0.00 56.10 57.73 3n9u s TRP 139 Cb -0.22 -3.03 -0.00 0.00 -1.15 0.00 0.00 33.47 29.07 3n9u s TRP 139 CO -0.03 -0.02 -0.09 0.08 0.02 0.00 0.00 176.95 176.91 3n9u s VAL 140 N 1.15 3.04 -0.42 4.03 1.01 -1.19 -5.02 120.40 123.00 3n9u s VAL 140 Ca 0.46 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.85 3n9u s VAL 140 Cb -0.19 -2.35 0.13 0.00 0.00 0.00 0.00 36.38 33.96 3n9u s VAL 140 CO 0.23 0.46 0.21 -0.63 0.00 0.00 0.00 175.10 175.37 3n9u s ILE 141 N 1.29 1.43 -0.55 2.22 1.01 -1.26 0.18 121.20 125.53 3n9u s ILE 141 Ca 0.03 -2.43 0.09 0.00 0.00 0.00 0.00 60.65 58.34 3n9u s ILE 141 Cb -0.14 -2.02 0.24 0.00 0.01 0.00 0.00 42.46 40.56 3n9u s ILE 141 CO -0.04 -0.85 1.20 0.47 0.00 0.00 0.00 174.94 175.72 3n9u n ASP 142 N 3.73 2.75 -3.64 3.58 8.00 -1.26 -5.03 116.55 124.67 3n9u n ASP 142 Ca 0.07 -2.17 -0.15 0.00 0.71 0.00 0.00 54.79 53.25 3n9u n ASP 142 Cb 0.36 -0.21 -0.14 0.00 -0.02 0.00 0.00 41.12 41.10 3n9u n ASP 142 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3n9u s ASP 143 N -1.20 0.61 0.03 -2.24 1.01 -1.26 -5.07 116.67 108.56 3n9u s ASP 143 Ca 0.19 0.41 -0.30 0.00 0.71 0.00 0.00 52.55 53.56 3n9u s ASP 143 Cb 0.12 0.52 -0.04 0.00 1.01 0.00 0.00 42.92 44.53 3n9u s ASP 143 CO 0.10 -0.25 1.02 0.00 0.21 0.00 0.00 175.17 176.25 3n9u n ILE 145 N 3.70 0.00 0.00 0.00 -5.35 0.45 -4.90 119.36 113.26 3n9u n ILE 145 Ca 0.06 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 3n9u n ILE 145 Cb 0.50 0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.56 3n9u n ILE 145 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3n9u n GLY 146 N 1.46 0.01 2.87 3.28 0.00 -1.21 -4.93 105.19 106.68 3n9u n GLY 146 Ca -0.03 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 44.97 3n9u n GLY 146 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3n9u s ASN 147 N 0.00 0.30 -0.01 1.61 0.01 -1.26 -1.25 114.94 114.34 3n9u s ASN 147 Ca 0.00 -0.03 0.05 0.00 -0.71 0.00 0.00 52.86 52.17 3n9u s ASN 147 Cb 0.00 -0.09 -0.01 0.00 0.41 0.00 0.00 41.25 41.56 3n9u s ASN 147 CO 0.00 -0.02 -0.16 0.26 -1.51 0.00 0.00 177.10 175.67 3n9u s TRP 148 N 0.33 1.42 -0.03 2.20 0.52 0.61 -4.39 118.94 119.61 3n9u s TRP 148 Ca -0.03 -0.28 0.05 0.00 0.02 0.00 0.00 56.10 55.86 3n9u s TRP 148 Cb -0.05 -0.91 -0.01 0.00 -1.15 0.00 0.00 33.47 31.35 3n9u s TRP 148 CO -0.01 -0.02 -0.17 -1.58 0.02 0.00 0.00 176.95 175.19 3n9u s TRP 149 N -0.41 1.64 -0.40 -1.98 0.51 0.10 -0.30 118.94 118.09 3n9u s TRP 149 Ca 0.06 -0.40 -0.11 0.00 -2.12 0.00 0.00 56.10 53.53 3n9u s TRP 149 Cb -0.06 -1.09 0.05 0.00 -0.81 0.00 0.00 33.47 31.56 3n9u s TRP 149 CO -0.00 -0.10 0.25 0.50 -0.51 0.00 0.00 176.95 177.08 3n9u s ARG 150 N -0.15 2.76 0.34 4.98 3.52 -0.19 -1.75 118.95 128.46 3n9u s ARG 150 Ca 0.01 -1.26 0.14 0.00 -0.13 0.00 0.00 55.73 54.48 3n9u s ARG 150 Cb -0.09 -3.81 0.59 0.00 -1.56 0.00 0.00 34.95 30.08 3n9u s ARG 150 CO 0.01 -0.84 1.73 -1.00 -0.81 0.00 0.00 175.30 174.38 3n9u h PRO 151 N 8.47 0.00 0.00 5.12 0.13 -1.87 0.26 132.00 144.11 3n9u h PRO 151 Ca -0.25 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.28 3n9u h PRO 151 Cb 1.10 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.10 3n9u h PRO 151 CO 0.73 0.47 -0.49 0.09 -0.23 0.00 0.00 178.00 178.57 3n9u n ASN 152 N -3.83 1.73 -3.43 1.44 3.02 -1.26 -4.16 115.26 108.77 3n9u n ASN 152 Ca -0.01 -3.28 -0.40 0.00 -0.03 0.00 0.00 54.58 50.86 3n9u n ASN 152 Cb 0.51 0.92 -0.01 0.00 -0.61 0.00 0.00 39.78 40.59 3n9u n ASN 152 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3n9u n PHE 153 N -1.04 2.55 -3.78 3.10 3.72 -1.26 -4.76 117.46 115.99 3n9u n PHE 153 Ca -0.10 -2.93 -0.10 0.00 -0.05 0.00 0.00 57.45 54.28 3n9u n PHE 153 Cb 0.65 -2.09 -0.06 0.00 -0.94 0.00 0.00 39.48 37.04 3n9u n PHE 153 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3n9u s GLU 154 N 0.14 1.10 0.44 -1.08 2.02 -1.26 -4.93 118.70 115.13 3n9u s GLU 154 Ca 0.59 -0.90 0.10 0.00 0.02 0.00 0.00 54.97 54.78 3n9u s GLU 154 Cb 0.18 0.43 0.97 0.00 0.10 0.00 0.00 34.13 35.82 3n9u s GLU 154 CO -0.08 -0.42 2.08 -1.35 0.02 0.00 0.00 175.26 175.51 3n9u h PRO 155 N 2.46 0.39 -6.84 0.39 0.11 -2.02 -3.45 132.00 123.03 3n9u h PRO 155 Ca -0.32 -0.02 -0.53 0.00 0.11 0.00 0.00 66.00 65.23 3n9u h PRO 155 Cb 1.24 -0.09 0.08 0.00 0.11 0.00 0.00 31.00 32.34 3n9u h PRO 155 CO 0.47 0.26 0.79 -2.14 -0.21 0.00 0.00 178.00 177.17 3n9u s PRO 156 N -5.38 4.18 0.02 1.05 0.02 -1.26 -5.02 135.00 128.62 3n9u s PRO 156 Ca -0.07 2.46 0.03 0.00 0.02 0.00 0.00 61.00 63.44 3n9u s PRO 156 Cb 0.17 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.65 3n9u s PRO 156 CO 0.71 -0.49 -0.08 -0.65 -0.33 0.00 0.00 177.00 176.16 3n9u s GLN 157 N -1.14 0.58 0.09 5.54 -0.21 -1.26 -4.25 119.66 119.00 3n9u s GLN 157 Ca 0.57 -0.54 0.04 0.00 0.02 0.00 0.00 55.36 55.45 3n9u s GLN 157 Cb -0.45 -0.48 -0.03 0.00 1.00 0.00 0.00 33.01 33.05 3n9u s GLN 157 CO 0.52 0.11 -0.11 0.71 -2.12 0.00 0.00 175.29 174.41 3n9u s TYR 158 N -0.79 1.07 -0.70 0.91 2.02 -0.71 -4.91 117.35 114.24 3n9u s TYR 158 Ca -0.03 -0.58 0.02 0.00 -0.37 0.00 0.00 57.07 56.11 3n9u s TYR 158 Cb -0.07 -0.59 0.17 0.00 -0.40 0.00 0.00 41.96 41.07 3n9u s TYR 158 CO 0.00 0.01 0.85 -0.35 -1.57 0.00 0.00 175.55 174.49 3n9u n PRO 159 N 0.84 1.71 -3.83 -1.71 -0.04 -1.26 0.00 135.00 130.71 3n9u n PRO 159 Ca -0.18 -0.65 -0.09 0.00 -0.04 0.00 0.00 63.50 62.53 3n9u n PRO 159 Cb 0.56 -1.58 -0.04 0.00 -0.04 0.00 0.00 33.50 32.40 3n9u n PRO 159 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3n9u s TYR 160 N -1.24 0.04 -0.28 0.54 -0.85 -1.26 -4.84 117.35 109.47 3n9u s TYR 160 Ca 0.11 -0.40 -0.15 0.00 -0.52 0.00 0.00 57.07 56.12 3n9u s TYR 160 Cb 0.09 0.32 -0.03 0.00 0.38 0.00 0.00 41.96 42.71 3n9u s TYR 160 CO 0.03 -0.93 0.38 0.42 -1.52 0.00 0.00 175.55 173.93 3n9u s ILE 161 N -3.92 5.17 0.57 -3.49 1.01 -1.26 -4.57 121.20 114.71 3n9u s ILE 161 Ca 0.13 0.54 -0.20 0.00 0.00 0.00 0.00 60.65 61.12 3n9u s ILE 161 Cb -0.01 -3.71 -0.06 0.00 0.01 0.00 0.00 42.46 38.69 3n9u s ILE 161 CO 0.01 0.13 1.00 -2.65 0.00 0.00 0.00 174.94 173.43 3n9u n PRO 162 N 5.35 1.03 0.28 2.79 -0.02 -1.26 -4.85 135.00 138.32 3n9u n PRO 162 Ca -0.08 0.39 0.14 0.00 -2.02 0.00 0.00 63.50 61.93 3n9u n PRO 162 Cb 0.51 -2.19 0.82 0.00 -0.02 0.00 0.00 33.50 32.62 3n9u n PRO 162 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3n9u h ALA 163 N 0.72 1.32 -0.01 3.55 0.00 -2.06 -1.85 119.26 120.94 3n9u h ALA 163 Ca -0.48 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3n9u h ALA 163 Cb 1.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3n9u h ALA 163 CO 0.52 0.09 -0.20 -2.39 0.00 0.00 0.00 179.25 177.27 3n9u n HIS 164 N -3.64 0.00 -3.61 0.00 1.44 -1.26 -4.75 115.22 103.40 3n9u n HIS 164 Ca -0.02 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.29 3n9u n HIS 164 Cb 0.18 -0.12 -0.10 0.00 0.12 0.00 0.00 29.99 30.07 3n9u n HIS 164 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3n9u s ILE 165 N -2.44 4.26 -0.50 0.61 -1.09 -0.70 -4.92 121.20 116.43 3n9u s ILE 165 Ca 0.27 -1.29 0.23 0.00 -2.23 0.00 0.00 60.65 57.63 3n9u s ILE 165 Cb 0.20 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 3n9u s ILE 165 CO 0.49 -0.44 1.11 0.35 -1.23 0.00 0.00 174.94 175.22 3n9u n THR 166 N 4.93 0.34 -3.65 2.92 -2.24 -1.26 -4.61 114.28 110.70 3n9u n THR 166 Ca -0.10 -0.34 -0.27 0.00 -2.27 0.00 0.00 64.05 61.06 3n9u n THR 166 Cb 0.44 -0.06 -0.10 0.00 -2.10 0.00 0.00 70.33 68.50 3n9u n THR 166 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3n9u n LYS 167 N -2.21 1.71 -1.47 -0.78 4.76 -1.26 -5.10 118.16 113.81 3n9u n LYS 167 Ca 0.02 -4.27 -0.34 0.00 -2.87 0.00 0.00 58.31 50.85 3n9u n LYS 167 Cb 0.47 -2.12 0.08 0.00 -1.84 0.00 0.00 35.03 31.63 3n9u n LYS 167 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3n9u s PRO 168 N -1.51 2.25 0.17 1.97 0.04 -1.26 -4.93 135.00 131.72 3n9u s PRO 168 Ca 0.31 1.64 0.22 0.00 0.04 0.00 0.00 61.00 63.21 3n9u s PRO 168 Cb 0.04 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 3n9u s PRO 168 CO -0.13 -1.72 0.97 1.63 0.04 0.00 0.00 177.00 177.78 3n9u n LYS 169 N -2.73 0.61 -3.75 4.56 4.76 0.90 -4.64 118.16 117.87 3n9u n LYS 169 Ca 0.12 0.11 -0.13 0.00 -2.87 0.00 0.00 58.31 55.54 3n9u n LYS 169 Cb 0.51 -1.80 -0.10 0.00 -1.84 0.00 0.00 35.03 31.80 3n9u n LYS 169 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3n9u s GLU 170 N -3.32 0.47 -0.22 1.97 2.12 -1.14 -1.65 118.70 116.93 3n9u s GLU 170 Ca -0.01 0.38 0.02 0.00 0.36 0.00 0.00 54.97 55.72 3n9u s GLU 170 Cb 0.10 0.22 0.04 0.00 0.26 0.00 0.00 34.13 34.75 3n9u s GLU 170 CO 0.80 -0.07 -0.15 -1.58 -0.54 0.00 0.00 175.26 173.72 3n9u s HIS 171 N -0.07 2.94 -0.24 5.30 5.65 0.41 -1.02 115.29 128.24 3n9u s HIS 171 Ca -0.02 -1.93 -0.07 0.00 0.25 0.00 0.00 55.06 53.28 3n9u s HIS 171 Cb -0.03 -1.88 -0.03 0.00 -1.18 0.00 0.00 32.58 29.46 3n9u s HIS 171 CO 0.01 -0.83 0.06 0.21 -0.65 0.00 0.00 174.74 173.55 3n9u s LYS 172 N 1.22 3.66 -0.14 2.88 2.20 0.58 -0.51 119.74 129.64 3n9u s LYS 172 Ca -0.02 -0.48 -0.01 0.00 -0.36 0.00 0.00 55.97 55.11 3n9u s LYS 172 Cb -0.16 -3.30 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 3n9u s LYS 172 CO -0.09 -0.16 -0.11 0.21 -0.36 0.00 0.00 175.35 174.84 3n9u s LYS 173 N 1.53 3.41 -0.16 4.03 2.20 -0.03 -0.28 119.74 130.45 3n9u s LYS 173 Ca 0.06 -0.66 -0.06 0.00 -0.36 0.00 0.00 55.97 54.95 3n9u s LYS 173 Cb -0.15 -2.70 -0.04 0.00 -1.51 0.00 0.00 37.83 33.43 3n9u s LYS 173 CO 0.03 0.17 0.06 -0.51 -0.36 0.00 0.00 175.35 174.74 3n9u s LEU 174 N 0.47 3.84 0.06 5.43 1.43 -0.38 -1.22 118.68 128.31 3n9u s LEU 174 Ca -0.08 0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.24 3n9u s LEU 174 Cb -0.15 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 3n9u s LEU 174 CO 0.04 0.24 -0.22 -0.36 0.23 0.00 0.00 176.35 176.29 3n9u s PHE 175 N -0.06 1.89 -0.02 0.29 0.08 -0.44 -0.41 117.98 119.31 3n9u s PHE 175 Ca 0.06 -0.39 -0.29 0.00 0.12 0.00 0.00 56.93 56.43 3n9u s PHE 175 Cb -0.12 -1.10 -0.03 0.00 -0.57 0.00 0.00 43.02 41.20 3n9u s PHE 175 CO 0.01 0.13 0.96 -1.17 -0.10 0.00 0.00 175.22 175.06 3n9u s LEU 176 N -1.38 4.35 -0.30 -0.37 2.96 -0.27 -0.61 118.68 123.07 3n9u s LEU 176 Ca 0.08 1.61 -0.07 0.00 -0.22 0.00 0.00 54.13 55.53 3n9u s LEU 176 Cb -0.09 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.08 3n9u s LEU 176 CO 0.03 -0.27 0.08 -0.69 -1.32 0.00 0.00 176.35 174.18 3n9u s VAL 177 N 1.12 3.92 -0.10 1.68 1.01 -0.12 -4.22 120.40 123.69 3n9u s VAL 177 Ca 0.50 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 3n9u s VAL 177 Cb -0.20 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 3n9u s VAL 177 CO 0.26 0.03 1.03 -1.10 0.00 0.00 0.00 175.10 175.33 3n9u s GLN 178 N 1.48 4.41 0.29 2.72 -0.21 0.13 -4.42 119.66 124.06 3n9u s GLN 178 Ca 0.02 1.43 -0.10 0.00 0.02 0.00 0.00 55.36 56.73 3n9u s GLN 178 Cb -0.18 -3.55 -0.07 0.00 1.00 0.00 0.00 33.01 30.22 3n9u s GLN 178 CO 0.02 -0.34 0.63 -0.51 -2.12 0.00 0.00 175.29 172.98 3n9u s LEU 179 N 2.05 4.06 0.93 2.90 1.43 -1.26 -3.16 118.68 125.64 3n9u s LEU 179 Ca 0.49 0.99 -0.10 0.00 -1.03 0.00 0.00 54.13 54.48 3n9u s LEU 179 Cb -0.19 -3.79 0.16 0.00 0.03 0.00 0.00 46.19 42.39 3n9u s LEU 179 CO 0.18 -0.19 1.13 -1.10 0.23 0.00 0.00 176.35 176.61 3n9u s GLN 180 N -3.20 0.88 0.27 1.70 -0.21 -1.26 -4.93 119.66 112.91 3n9u s GLN 180 Ca 0.49 1.47 -0.02 0.00 0.02 0.00 0.00 55.36 57.31 3n9u s GLN 180 Cb -0.11 -1.72 0.44 0.00 1.00 0.00 0.00 33.01 32.62 3n9u s GLN 180 CO 0.24 -2.70 1.87 1.49 -2.12 0.00 0.00 175.29 174.07 3n9u h GLU 181 N -1.92 1.07 -4.32 2.91 4.81 -1.97 -3.42 114.58 111.74 3n9u h GLU 181 Ca -0.45 -0.06 -0.24 0.00 -0.13 0.00 0.00 59.36 58.48 3n9u h GLU 181 Cb 1.27 -0.24 -0.22 0.00 0.63 0.00 0.00 28.75 30.19 3n9u h GLU 181 CO 0.43 0.71 -0.72 0.15 -0.73 0.00 0.00 179.01 178.84 3n9u s LYS 182 N -6.02 0.43 -0.07 1.92 1.02 -1.26 -4.80 119.74 110.95 3n9u s LYS 182 Ca -0.12 -0.65 -0.30 0.00 0.02 0.00 0.00 55.97 54.92 3n9u s LYS 182 Cb 0.20 -0.15 0.11 0.00 -0.52 0.00 0.00 37.83 37.48 3n9u s LYS 182 CO 0.81 0.02 0.93 0.00 -0.92 0.00 0.00 175.35 176.18 3n9u s ALA 183 N -1.29 -1.87 -0.17 5.17 0.00 -1.24 -5.06 121.76 117.30 3n9u s ALA 183 Ca -0.11 1.26 -0.05 0.00 0.00 0.00 0.00 51.96 53.06 3n9u s ALA 183 Cb -0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 3n9u s ALA 183 CO -0.00 -0.53 -0.01 -1.17 0.00 0.00 0.00 175.76 174.05 3n9u s LEU 184 N -1.90 3.35 -0.15 0.00 2.96 -1.26 -1.34 118.68 120.34 3n9u s LEU 184 Ca 0.02 -0.11 -0.02 0.00 -0.22 0.00 0.00 54.13 53.80 3n9u s LEU 184 Cb -0.01 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 3n9u s LEU 184 CO -0.04 0.14 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.69 3n9u s PHE 185 N 0.52 2.91 -0.32 5.38 0.08 -0.11 -4.84 117.98 121.60 3n9u s PHE 185 Ca -0.02 -0.53 -0.10 0.00 0.12 0.00 0.00 56.93 56.40 3n9u s PHE 185 Cb -0.14 -1.91 -0.01 0.00 -0.57 0.00 0.00 43.02 40.39 3n9u s PHE 185 CO 0.02 -0.17 0.17 0.00 -0.10 0.00 0.00 175.22 175.14 3n9u s ALA 186 N 0.46 3.32 -0.20 5.36 0.00 -0.57 -0.68 121.76 129.45 3n9u s ALA 186 Ca -0.07 -1.39 -0.10 0.00 0.00 0.00 0.00 51.96 50.40 3n9u s ALA 186 Cb -0.15 -2.43 -0.05 0.00 0.00 0.00 0.00 23.12 20.49 3n9u s ALA 186 CO 0.04 -0.92 0.15 0.08 0.00 0.00 0.00 175.76 175.10 3n9u s VAL 187 N 1.63 5.39 0.17 0.00 1.01 -0.47 -4.07 120.40 124.07 3n9u s VAL 187 Ca 0.05 0.22 -0.34 0.00 0.00 0.00 0.00 61.98 61.91 3n9u s VAL 187 Cb -0.17 -3.49 -0.14 0.00 0.00 0.00 0.00 36.38 32.58 3n9u s VAL 187 CO 0.07 0.42 1.53 -2.65 0.00 0.00 0.00 175.10 174.47 3n9u n PRO 188 N 3.65 2.06 0.16 2.72 -0.02 -1.26 -1.41 135.00 140.89 3n9u n PRO 188 Ca -0.15 0.74 0.11 0.00 -2.02 0.00 0.00 63.50 62.18 3n9u n PRO 188 Cb 0.52 -2.48 0.57 0.00 -0.02 0.00 0.00 33.50 32.09 3n9u n PRO 188 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3n9u n LYS 189 N 3.07 0.15 0.00 -0.52 2.85 -0.36 -0.47 118.16 122.89 3n9u n LYS 189 Ca 0.16 0.59 0.12 0.00 -1.05 0.00 0.00 58.31 58.13 3n9u n LYS 189 Cb 0.29 -1.94 0.59 0.00 -0.65 0.00 0.00 35.03 33.31 3n9u n LYS 189 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 3n9u n ASN 190 N -2.26 0.00 -4.49 -5.58 6.94 -1.26 -4.81 115.26 103.80 3n9u n ASN 190 Ca -0.01 0.19 -0.26 0.00 -0.02 0.00 0.00 54.58 54.49 3n9u n ASN 190 Cb 0.08 -0.39 -0.10 0.00 -2.36 0.00 0.00 39.78 37.01 3n9u n ASN 190 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 3n9u s TYR 191 N -2.77 2.42 -0.03 -2.53 2.02 0.38 -4.67 117.35 112.18 3n9u s TYR 191 Ca 0.18 -0.30 0.01 0.00 -0.37 0.00 0.00 57.07 56.59 3n9u s TYR 191 Cb 0.17 -1.16 -0.03 0.00 -0.40 0.00 0.00 41.96 40.53 3n9u s TYR 191 CO 0.42 0.55 -0.01 0.15 -1.57 0.00 0.00 175.55 175.09 3n9u s LYS 192 N -2.95 2.82 -0.23 -0.62 1.02 -0.45 -4.75 119.74 114.59 3n9u s LYS 192 Ca 0.24 -0.55 -0.10 0.00 0.02 0.00 0.00 55.97 55.58 3n9u s LYS 192 Cb -0.07 -2.69 -0.05 0.00 -0.52 0.00 0.00 37.83 34.50 3n9u s LYS 192 CO 0.13 0.65 0.15 -1.17 -0.92 0.00 0.00 175.35 174.19 3n9u s LEU 193 N -1.28 4.14 0.06 3.17 0.20 -1.26 -0.06 118.68 123.65 3n9u s LEU 193 Ca 0.17 0.15 0.09 0.00 0.69 0.00 0.00 54.13 55.22 3n9u s LEU 193 Cb -0.11 -2.10 -0.03 0.00 -0.43 0.00 0.00 46.19 43.52 3n9u s LEU 193 CO 0.07 0.11 -0.23 0.68 -0.29 0.00 0.00 176.35 176.68 3n9u s VAL 194 N 0.81 1.90 -0.49 1.68 -7.23 0.69 -4.96 120.40 112.81 3n9u s VAL 194 Ca 0.08 -1.37 -0.16 0.00 -1.81 0.00 0.00 61.98 58.72 3n9u s VAL 194 Cb -0.13 -1.66 0.09 0.00 0.56 0.00 0.00 36.38 35.24 3n9u s VAL 194 CO 0.02 0.22 0.42 0.00 -0.31 0.00 0.00 175.10 175.45 3n9u s ALA 195 N -0.87 3.58 -0.22 1.32 0.00 -1.26 -0.36 121.76 123.95 3n9u s ALA 195 Ca 0.10 -2.21 -0.12 0.00 0.00 0.00 0.00 51.96 49.72 3n9u s ALA 195 Cb -0.09 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 3n9u s ALA 195 CO 0.03 -1.80 0.24 0.00 0.00 0.00 0.00 175.76 174.23 3n9u s ALA 196 N 1.63 3.60 0.62 0.00 0.00 0.10 -4.84 121.76 122.87 3n9u s ALA 196 Ca 0.04 -0.73 -0.15 0.00 0.00 0.00 0.00 51.96 51.11 3n9u s ALA 196 Cb -0.26 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.44 3n9u s ALA 196 CO 0.06 -0.17 1.08 -1.25 0.00 0.00 0.00 175.76 175.47 3n9u s PRO 197 N 1.03 3.11 0.42 0.00 0.04 -1.26 -0.80 135.00 137.53 3n9u s PRO 197 Ca 0.12 1.28 0.09 0.00 0.04 0.00 0.00 61.00 62.53 3n9u s PRO 197 Cb -0.14 -2.00 0.91 0.00 0.04 0.00 0.00 34.50 33.32 3n9u s PRO 197 CO 0.05 -0.99 2.04 -0.07 0.04 0.00 0.00 177.00 178.07 3n9u h LEU 198 N 0.26 0.34 -1.60 -3.56 3.38 -1.88 -1.84 115.31 110.42 3n9u h LEU 198 Ca -0.47 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 3n9u h LEU 198 Cb 1.23 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 3n9u h LEU 198 CO 0.56 0.30 -0.16 2.19 0.09 0.00 0.00 178.44 181.42 3n9u h PHE 199 N 0.39 0.00 -0.15 1.13 -5.15 -1.91 -1.85 116.94 109.40 3n9u h PHE 199 Ca 0.10 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.75 3n9u h PHE 199 Cb 0.05 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.21 3n9u h PHE 199 CO 0.00 0.16 -0.44 1.49 -2.00 0.00 0.00 178.31 177.52 3n9u h GLU 200 N 0.00 0.36 0.18 6.09 4.57 -1.70 -3.26 114.58 120.82 3n9u h GLU 200 Ca -0.00 -0.19 -0.30 0.00 -1.18 0.00 0.00 59.36 57.69 3n9u h GLU 200 Cb 0.50 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.12 3n9u h GLU 200 CO 0.02 0.73 -1.37 -0.07 -1.18 0.00 0.00 179.01 177.15 3n9u h LEU 201 N 0.30 0.59 -9.61 1.64 3.38 -1.40 -3.43 115.31 106.78 3n9u h LEU 201 Ca 0.02 -0.65 -0.52 0.00 0.09 0.00 0.00 57.88 56.82 3n9u h LEU 201 Cb 0.89 -0.19 0.05 0.00 0.09 0.00 0.00 40.66 41.50 3n9u h LEU 201 CO 0.07 1.51 1.01 -0.47 0.09 0.00 0.00 178.44 180.65 3n9u s TYR 202 N -2.63 2.76 -1.45 1.13 5.04 -0.76 -1.40 117.35 120.03 3n9u s TYR 202 Ca -0.06 0.32 -0.11 0.00 -2.44 0.00 0.00 57.07 54.78 3n9u s TYR 202 Cb 0.06 -4.10 0.07 0.00 0.35 0.00 0.00 41.96 38.34 3n9u s TYR 202 CO 0.91 -4.23 0.74 -3.47 -1.34 0.00 0.00 175.55 168.15 3n9u n ASP 203 N 4.41 -4.58 -2.74 4.32 2.03 -1.26 -4.90 116.55 113.83 3n9u n ASP 203 Ca 0.16 -0.56 -0.22 0.00 0.52 0.00 0.00 54.79 54.69 3n9u n ASP 203 Cb 0.37 -3.71 -0.01 0.00 -0.72 0.00 0.00 41.12 37.05 3n9u n ASP 203 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3n9u n ASN 204 N -2.57 3.36 0.05 1.67 2.85 -0.50 -4.83 115.26 115.28 3n9u n ASN 204 Ca -0.00 -3.38 0.03 0.00 -0.11 0.00 0.00 54.58 51.12 3n9u n ASN 204 Cb 0.54 -0.52 0.41 0.00 1.24 0.00 0.00 39.78 41.45 3n9u n ASN 204 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3n9u h ALA 205 N 2.83 1.63 -0.89 5.20 0.00 -1.79 -0.22 119.26 126.02 3n9u h ALA 205 Ca 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3n9u h ALA 205 Cb 0.88 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3n9u h ALA 205 CO 0.71 0.29 0.50 -1.35 0.00 0.00 0.00 179.25 179.41 3n9u h PRO 206 N 0.43 1.23 0.09 0.00 0.11 -1.89 0.23 132.00 132.20 3n9u h PRO 206 Ca 0.11 -0.13 -0.27 0.00 0.11 0.00 0.00 66.00 65.81 3n9u h PRO 206 Cb 0.11 -0.25 0.02 0.00 0.11 0.00 0.00 31.00 30.99 3n9u h PRO 206 CO -0.01 0.88 -1.17 0.78 -0.21 0.00 0.00 178.00 178.28 3n9u h GLY 207 N 1.23 0.54 0.00 -0.55 0.00 -1.87 -3.41 103.07 99.01 3n9u h GLY 207 Ca 0.31 -1.13 0.00 0.00 0.00 0.00 0.00 47.33 46.52 3n9u h GLY 207 CO -0.05 0.99 0.00 -1.72 0.00 0.00 0.00 176.54 175.76 3n9u n TYR 208 N -3.72 0.00 0.00 5.60 4.01 -0.13 -4.84 117.16 118.09 3n9u n TYR 208 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 3n9u n TYR 208 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.99 3n9u n TYR 208 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3n9u n GLY 209 N 0.68 -1.44 0.22 2.72 0.00 0.81 -4.21 105.19 103.97 3n9u n GLY 209 Ca 0.00 -1.58 0.09 0.00 0.00 0.00 0.00 46.02 44.53 3n9u n GLY 209 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3n9u h PRO 210 N 0.00 0.00 0.00 1.61 0.13 -1.93 -1.98 132.00 129.83 3n9u h PRO 210 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 3n9u h PRO 210 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3n9u h PRO 210 CO 0.00 0.26 -0.25 0.82 -0.23 0.00 0.00 178.00 178.60 3n9u h ILE 211 N 0.00 1.03 -0.67 -3.56 2.04 -1.97 -3.15 117.51 111.22 3n9u h ILE 211 Ca -0.00 -1.85 -0.08 0.00 1.00 0.00 0.00 64.86 63.93 3n9u h ILE 211 Cb 0.68 2.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.76 3n9u h ILE 211 CO 0.03 0.35 0.13 0.40 0.00 0.00 0.00 178.15 179.06 3n9u h ILE 212 N -1.00 1.26 0.00 -0.67 2.04 -1.73 -2.91 117.51 114.50 3n9u h ILE 212 Ca -0.06 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 64.79 3n9u h ILE 212 Cb 0.74 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3n9u h ILE 212 CO -0.03 0.38 0.00 0.77 0.00 0.00 0.00 178.15 179.27 3n9u h SER 213 N 1.03 0.00 -0.14 1.72 4.64 -1.49 -2.18 113.55 117.14 3n9u h SER 213 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3n9u h SER 213 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3n9u h SER 213 CO 0.01 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.43 3n9u n SER 214 N -2.98 2.55 -0.29 4.97 3.41 -1.10 -4.03 113.62 116.15 3n9u n SER 214 Ca -0.00 -1.84 0.02 0.00 -0.26 0.00 0.00 58.87 56.79 3n9u n SER 214 Cb 0.23 -0.08 0.22 0.00 -0.26 0.00 0.00 64.21 64.32 3n9u n SER 214 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3n9u h LEU 215 N 3.69 0.94 -0.36 1.04 3.38 -1.42 -1.44 115.31 121.15 3n9u h LEU 215 Ca 0.00 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.02 3n9u h LEU 215 Cb 0.80 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 3n9u h LEU 215 CO 0.00 0.65 -0.00 -0.65 0.09 0.00 0.00 178.44 178.53 3n9u h PRO 216 N 1.09 0.09 -0.28 1.13 0.11 -1.80 0.12 132.00 132.46 3n9u h PRO 216 Ca 0.34 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.50 3n9u h PRO 216 Cb 0.01 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.05 3n9u h PRO 216 CO -0.10 0.06 -0.06 1.96 -0.21 0.00 0.00 178.00 179.65 3n9u h GLN 217 N 0.09 0.02 0.00 1.05 7.50 -1.75 -1.92 115.11 120.11 3n9u h GLN 217 Ca 0.18 -0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.30 3n9u h GLN 217 Cb 0.24 -0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.77 3n9u h GLN 217 CO -0.30 0.01 -0.11 -0.07 -1.50 0.00 0.00 178.83 176.86 3n9u h LEU 218 N 0.02 0.00 -0.01 1.46 3.38 -0.61 -2.45 115.31 117.08 3n9u h LEU 218 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3n9u h LEU 218 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3n9u h LEU 218 CO -0.28 0.11 -0.70 0.18 0.09 0.00 0.00 178.44 177.85 3n9u n LEU 219 N -3.35 0.72 0.24 1.67 4.77 0.36 -4.51 117.00 116.91 3n9u n LEU 219 Ca -0.01 -0.21 0.08 0.00 -0.03 0.00 0.00 56.01 55.84 3n9u n LEU 219 Cb 0.31 -0.15 0.60 0.00 -2.33 0.00 0.00 43.42 41.86 3n9u n LEU 219 CO 0.30 0.18 0.97 0.77 -1.33 0.00 0.00 177.39 178.27 3n9u h SER 220 N 0.03 0.00 0.76 -1.43 4.64 -0.85 -1.75 113.55 114.95 3n9u h SER 220 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3n9u h SER 220 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3n9u h SER 220 CO 0.00 0.12 0.00 0.08 -0.87 0.00 0.00 176.83 176.16 3n9u h ARG 221 N 0.00 0.00 -6.50 4.77 0.11 -1.79 -3.45 114.38 107.52 3n9u h ARG 221 Ca -0.00 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.55 3n9u h ARG 221 Cb 0.23 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.28 3n9u h ARG 221 CO 0.02 0.00 0.16 -0.06 0.10 0.00 0.00 179.97 180.19 3n9u s PHE 222 N -3.35 3.90 -0.66 4.08 0.08 -0.66 -4.54 117.98 116.83 3n9u s PHE 222 Ca 0.04 1.60 -0.20 0.00 0.12 0.00 0.00 56.93 58.49 3n9u s PHE 222 Cb 0.09 -2.74 0.10 0.00 -0.57 0.00 0.00 43.02 39.90 3n9u s PHE 222 CO 0.41 0.52 0.83 1.21 -0.10 0.00 0.00 175.22 178.09 3n9u s ASN 223 N -1.16 6.24 0.00 1.36 2.47 0.29 -4.99 114.94 119.17 3n9u s ASN 223 Ca 0.35 -1.40 -0.23 0.00 0.42 0.00 0.00 52.86 52.00 3n9u s ASN 223 Cb -0.23 -2.34 -0.05 0.00 -1.45 0.00 0.00 41.25 37.18 3n9u s ASN 223 CO 0.26 -1.19 0.70 -0.36 -3.72 0.00 0.00 177.10 172.78 3n9u s PHE 224 N 3.03 3.68 -0.26 0.43 0.08 -1.26 -0.78 117.98 122.90 3n9u s PHE 224 Ca 0.17 1.33 -0.09 0.00 0.12 0.00 0.00 56.93 58.46 3n9u s PHE 224 Cb -0.19 -2.75 -0.04 0.00 -0.57 0.00 0.00 43.02 39.47 3n9u s PHE 224 CO 0.05 0.25 0.12 0.42 -0.10 0.00 0.00 175.22 175.96 3n9u s ILE 225 N 0.12 4.78 -1.01 0.64 -1.09 0.10 -4.92 121.20 119.82 3n9u s ILE 225 Ca 0.36 -0.01 -0.17 0.00 -2.23 0.00 0.00 60.65 58.59 3n9u s ILE 225 Cb -0.19 -3.25 0.14 0.00 -1.58 0.00 0.00 42.46 37.58 3n9u s ILE 225 CO 0.20 0.31 1.22 -0.31 -1.23 0.00 0.00 174.94 175.13 3n9u s TYR 226 N 1.56 3.22 -2.00 3.97 2.02 -1.26 -1.19 117.35 123.67 3n9u s TYR 226 Ca 0.06 -1.60 0.18 0.00 -0.37 0.00 0.00 57.07 55.35 3n9u s TYR 226 Cb -0.15 -4.30 1.10 0.00 -0.40 0.00 0.00 41.96 38.21 3n9u s TYR 226 CO 0.06 -1.47 1.50 0.09 -1.57 0.00 0.00 175.55 174.16