#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9m h VAL 2 N 0.00 1.29 -0.40 -1.45 -1.51 -1.99 -3.19 116.25 109.00 1k9m h VAL 2 Ca 0.00 -2.89 0.00 0.00 -1.23 0.00 0.00 66.70 62.58 1k9m h VAL 2 Cb 0.00 2.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 1k9m h VAL 2 CO 0.00 0.74 0.00 0.00 -1.23 0.00 0.00 177.57 177.08 1k9m n TYR 3 N -3.25 0.51 -3.74 5.19 0.18 -1.26 -4.83 117.16 109.96 1k9m n TYR 3 Ca -0.01 -0.26 -0.38 0.00 1.88 0.00 0.00 57.90 59.13 1k9m n TYR 3 Cb 0.88 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.72 1k9m n TYR 3 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1k9m s VAL 4 N -1.49 4.07 -1.78 -3.48 1.01 -1.21 -4.86 120.40 112.67 1k9m s VAL 4 Ca 0.39 -0.68 0.15 0.00 0.00 0.00 0.00 61.98 61.83 1k9m s VAL 4 Cb 0.23 -3.11 0.14 0.00 0.00 0.00 0.00 36.38 33.63 1k9m s VAL 4 CO 0.32 0.05 0.99 0.47 0.00 0.00 0.00 175.10 176.93 1k9m n ASP 5 N 4.89 2.29 -3.62 3.32 8.00 -1.26 -4.74 116.55 125.42 1k9m n ASP 5 Ca -0.14 -1.64 -0.15 0.00 0.71 0.00 0.00 54.79 53.57 1k9m n ASP 5 Cb 0.48 -0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.48 1k9m n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1k9m s PHE 6 N -1.20 -0.60 -0.19 1.24 -0.12 -1.26 -5.12 117.98 110.73 1k9m s PHE 6 Ca 0.18 1.25 -0.12 0.00 -0.05 0.00 0.00 56.93 58.19 1k9m s PHE 6 Cb 0.12 0.28 -0.05 0.00 -0.63 0.00 0.00 43.02 42.75 1k9m s PHE 6 CO 0.18 -0.45 0.23 0.34 -0.05 0.00 0.00 175.22 175.48 1k9m s ASP 7 N -0.50 6.32 -0.40 1.98 2.15 -1.26 -4.97 116.67 119.99 1k9m s ASP 7 Ca -0.06 0.37 -0.19 0.00 0.43 0.00 0.00 52.55 53.10 1k9m s ASP 7 Cb -0.03 -2.14 0.01 0.00 -0.30 0.00 0.00 42.92 40.46 1k9m s ASP 7 CO 0.05 0.11 0.55 -0.69 -0.17 0.00 0.00 175.17 175.02 1k9m s VAL 8 N 0.56 4.96 0.38 1.11 1.01 -1.26 -5.04 120.40 122.12 1k9m s VAL 8 Ca 0.13 0.09 -0.25 0.00 0.00 0.00 0.00 61.98 61.94 1k9m s VAL 8 Cb -0.12 -4.08 -0.12 0.00 0.00 0.00 0.00 36.38 32.06 1k9m s VAL 8 CO 0.02 -0.41 0.98 -2.65 0.00 0.00 0.00 175.10 173.04 1k9m n PRO 9 N 5.91 1.31 -0.34 2.72 -0.02 -1.26 -4.73 135.00 138.59 1k9m n PRO 9 Ca -0.04 0.47 0.01 0.00 -2.02 0.00 0.00 63.50 61.91 1k9m n PRO 9 Cb 0.48 -1.95 0.07 0.00 -0.02 0.00 0.00 33.50 32.08 1k9m n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k9m h ALA 10 N 1.63 0.30 -0.92 3.55 0.00 -2.00 -0.69 119.26 121.14 1k9m h ALA 10 Ca -0.43 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1k9m h ALA 10 Cb 1.34 0.87 -0.04 0.00 0.00 0.00 0.00 17.79 19.95 1k9m h ALA 10 CO 0.58 -0.54 0.57 -0.44 0.00 0.00 0.00 179.25 179.41 1k9m h ASP 11 N -0.02 1.09 -0.71 0.00 3.32 -2.00 -2.01 116.42 116.08 1k9m h ASP 11 Ca 0.37 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.31 1k9m h ASP 11 Cb 0.62 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1k9m h ASP 11 CO -0.93 0.83 0.25 0.25 -1.72 0.00 0.00 179.24 177.92 1k9m h LEU 12 N 1.26 1.01 -1.30 1.55 6.46 -1.49 -2.22 115.31 120.59 1k9m h LEU 12 Ca 0.33 -0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1k9m h LEU 12 Cb -0.07 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.57 1k9m h LEU 12 CO -0.06 0.93 0.26 -0.08 -0.62 0.00 0.00 178.44 178.87 1k9m h GLU 13 N 1.03 0.74 -0.03 1.25 4.81 -0.94 -1.52 114.58 119.93 1k9m h GLU 13 Ca 0.23 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1k9m h GLU 13 Cb 0.26 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 1k9m h GLU 13 CO -0.01 0.57 -0.00 -0.44 -0.73 0.00 0.00 179.01 178.40 1k9m h ASP 14 N 0.75 0.06 -0.97 1.04 3.32 -0.80 -0.78 116.42 119.04 1k9m h ASP 14 Ca 0.19 -0.31 0.09 0.00 0.02 0.00 0.00 57.03 57.02 1k9m h ASP 14 Cb 0.07 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.53 1k9m h ASP 14 CO -0.03 0.36 0.62 0.44 -1.72 0.00 0.00 179.24 178.91 1k9m h ASP 15 N -0.24 0.93 0.57 6.45 3.32 -1.16 0.11 116.42 126.40 1k9m h ASP 15 Ca 0.01 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1k9m h ASP 15 Cb 0.33 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.71 1k9m h ASP 15 CO 0.00 0.55 -0.28 0.00 -1.72 0.00 0.00 179.24 177.80 1k9m h ALA 16 N 1.51 -0.77 -0.88 3.45 0.00 -1.04 0.54 119.26 122.07 1k9m h ALA 16 Ca 0.45 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1k9m h ALA 16 Cb 0.34 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1k9m h ALA 16 CO -0.20 -0.92 0.55 -0.07 0.00 0.00 0.00 179.25 178.61 1k9m h LEU 17 N -0.81 1.05 -0.18 0.00 3.38 -0.70 -0.12 115.31 117.93 1k9m h LEU 17 Ca -0.08 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1k9m h LEU 17 Cb 0.60 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1k9m h LEU 17 CO 0.13 0.79 0.09 -0.33 0.09 0.00 0.00 178.44 179.20 1k9m h GLU 18 N 1.21 0.18 -0.84 1.13 5.08 -0.68 -1.52 114.58 119.13 1k9m h GLU 18 Ca 0.32 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.74 1k9m h GLU 18 Cb -0.08 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.06 1k9m h GLU 18 CO -0.06 0.12 0.51 0.00 -1.00 0.00 0.00 179.01 178.58 1k9m h ALA 19 N 1.09 1.18 -0.85 3.43 0.00 -0.19 -2.12 119.26 121.80 1k9m h ALA 19 Ca 0.07 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1k9m h ALA 19 Cb 0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1k9m h ALA 19 CO -0.05 0.20 0.55 1.25 0.00 0.00 0.00 179.25 181.20 1k9m h LEU 20 N 0.90 0.99 -0.67 0.00 5.85 -0.24 -1.42 115.31 120.72 1k9m h LEU 20 Ca 0.38 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 59.01 1k9m h LEU 20 Cb 0.25 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1k9m h LEU 20 CO -0.20 0.73 0.18 -0.33 -0.34 0.00 0.00 178.44 178.48 1k9m h GLU 21 N 1.16 1.06 0.00 1.25 5.08 -0.63 -1.57 114.58 120.94 1k9m h GLU 21 Ca 0.31 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1k9m h GLU 21 Cb -0.12 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 28.99 1k9m h GLU 21 CO -0.07 0.94 -0.09 -0.39 -1.00 0.00 0.00 179.01 178.41 1k9m h VAL 22 N 1.00 0.20 -0.31 3.13 -1.51 -1.24 -2.99 116.25 114.52 1k9m h VAL 22 Ca 0.21 -0.87 -0.17 0.00 -1.23 0.00 0.00 66.70 64.64 1k9m h VAL 22 Cb 0.34 1.74 -0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1k9m h VAL 22 CO -0.00 0.09 -0.47 0.00 -1.23 0.00 0.00 177.57 175.96 1k9m h ALA 23 N 1.91 0.48 0.00 5.19 0.00 -0.31 0.35 119.26 126.88 1k9m h ALA 23 Ca -0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 1k9m h ALA 23 Cb 0.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1k9m h ALA 23 CO 0.01 0.64 -0.41 0.07 0.00 0.00 0.00 179.25 179.56 1k9m h ARG 24 N 0.66 0.00 0.08 0.00 0.11 -1.24 0.26 114.38 114.25 1k9m h ARG 24 Ca 0.03 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.87 1k9m h ARG 24 Cb 1.07 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.14 1k9m h ARG 24 CO 0.11 0.41 -1.26 -0.44 0.10 0.00 0.00 179.97 178.89 1k9m h ASP 25 N 0.00 0.25 0.13 0.08 3.32 -1.38 -3.42 116.42 115.41 1k9m h ASP 25 Ca -0.00 -0.79 -0.36 0.00 0.02 0.00 0.00 57.03 55.89 1k9m h ASP 25 Cb 0.74 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1k9m h ASP 25 CO 0.05 1.54 -1.96 0.74 -1.72 0.00 0.00 179.24 177.89 1k9m h THR 26 N -0.52 0.67 -0.30 0.35 2.02 -0.34 -3.49 112.91 111.30 1k9m h THR 26 Ca -0.29 -2.36 0.00 0.00 0.77 0.00 0.00 66.41 64.53 1k9m h THR 26 Cb 1.59 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 70.54 1k9m h THR 26 CO -0.01 0.90 0.00 0.61 0.37 0.00 0.00 175.52 177.39 1k9m n GLY 27 N 1.98 4.40 3.17 2.16 0.00 0.88 -4.65 105.19 113.13 1k9m n GLY 27 Ca -0.31 -1.69 -0.23 0.00 0.00 0.00 0.00 46.02 43.79 1k9m n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k9m s ALA 28 N -2.23 1.40 0.02 4.61 0.00 -0.70 -4.48 121.76 120.37 1k9m s ALA 28 Ca 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.14 1k9m s ALA 28 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1k9m s ALA 28 CO 0.00 0.31 -0.04 0.14 0.00 0.00 0.00 175.76 176.18 1k9m s VAL 29 N -0.62 0.21 -0.20 0.00 -7.23 -1.26 0.53 120.40 111.84 1k9m s VAL 29 Ca 0.05 -0.70 -0.04 0.00 -1.81 0.00 0.00 61.98 59.48 1k9m s VAL 29 Cb -0.07 -0.30 -0.02 0.00 0.56 0.00 0.00 36.38 36.55 1k9m s VAL 29 CO 0.01 -0.31 -0.02 -0.54 -0.31 0.00 0.00 175.10 173.93 1k9m s LYS 30 N -1.06 3.53 -0.19 4.82 -0.14 0.25 -4.85 119.74 122.10 1k9m s LYS 30 Ca -0.10 -0.56 -0.07 0.00 -1.36 0.00 0.00 55.97 53.89 1k9m s LYS 30 Cb -0.07 -3.04 -0.04 0.00 -1.68 0.00 0.00 37.83 33.00 1k9m s LYS 30 CO -0.00 -0.05 0.04 0.15 -0.76 0.00 0.00 175.35 174.72 1k9m s LYS 31 N 1.15 3.84 0.00 1.68 1.02 -1.26 -0.24 119.74 125.92 1k9m s LYS 31 Ca 0.02 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.60 1k9m s LYS 31 Cb -0.14 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 1k9m s LYS 31 CO 0.01 0.18 0.00 0.41 -0.92 0.00 0.00 175.35 175.02 1k9m n GLY 32 N 3.81 2.83 0.27 -3.33 0.00 -0.85 -4.67 105.19 103.23 1k9m n GLY 32 Ca -0.17 -1.62 0.05 0.00 0.00 0.00 0.00 46.02 44.28 1k9m n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1k9m h THR 33 N 0.00 1.09 0.09 2.61 2.02 -1.94 -0.30 112.91 116.47 1k9m h THR 33 Ca 0.00 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 1k9m h THR 33 Cb 0.00 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1k9m h THR 33 CO 0.00 0.11 -0.04 -1.13 0.37 0.00 0.00 175.52 174.83 1k9m h ASN 34 N 0.23 -0.10 -0.59 4.18 -1.24 -1.94 -1.87 115.58 114.25 1k9m h ASN 34 Ca 0.06 -0.49 0.02 0.00 0.71 0.00 0.00 56.30 56.60 1k9m h ASN 34 Cb 0.11 0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.15 1k9m h ASN 34 CO -0.00 0.52 0.39 -0.33 -1.29 0.00 0.00 177.43 176.72 1k9m h GLU 35 N -0.83 0.70 -0.08 6.67 5.08 -1.81 -2.06 114.58 122.25 1k9m h GLU 35 Ca -0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1k9m h GLU 35 Cb 0.58 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1k9m h GLU 35 CO 0.02 0.46 0.02 1.15 -1.00 0.00 0.00 179.01 179.66 1k9m h THR 36 N 0.72 1.19 -1.00 1.13 2.02 -1.05 -2.88 112.91 113.04 1k9m h THR 36 Ca 0.23 -0.60 0.13 0.00 0.77 0.00 0.00 66.41 66.95 1k9m h THR 36 Cb 0.02 1.44 -0.09 0.00 -1.74 0.00 0.00 68.15 67.78 1k9m h THR 36 CO -0.06 0.17 0.63 0.74 0.37 0.00 0.00 175.52 177.37 1k9m h THR 37 N -0.08 0.88 0.00 3.16 2.02 -0.74 -0.57 112.91 117.57 1k9m h THR 37 Ca 0.03 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 1k9m h THR 37 Cb 0.25 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1k9m h THR 37 CO 0.00 0.17 -0.23 0.11 0.37 0.00 0.00 175.52 175.94 1k9m h LYS 38 N 0.95 0.00 0.39 6.66 1.57 -1.21 -2.28 116.57 122.64 1k9m h LYS 38 Ca 0.52 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.28 1k9m h LYS 38 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1k9m h LYS 38 CO -0.29 0.23 -0.19 0.77 -0.57 0.00 0.00 179.45 179.40 1k9m h SER 39 N 0.00 -0.44 -0.84 0.86 0.02 -0.90 0.15 113.55 112.40 1k9m h SER 39 Ca -0.00 -0.13 0.15 0.00 -0.84 0.00 0.00 61.79 60.97 1k9m h SER 39 Cb 0.63 0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.22 1k9m h SER 39 CO 0.03 -0.07 0.55 0.40 -1.14 0.00 0.00 176.83 176.60 1k9m h ILE 40 N -0.86 0.80 0.06 3.27 2.04 -1.34 0.70 117.51 122.18 1k9m h ILE 40 Ca -0.05 -0.19 -0.23 0.00 1.00 0.00 0.00 64.86 65.39 1k9m h ILE 40 Cb 0.54 0.21 0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1k9m h ILE 40 CO 0.09 0.10 -0.95 -0.33 0.00 0.00 0.00 178.15 177.05 1k9m h GLU 41 N 0.54 0.54 0.00 2.37 5.08 -1.33 -3.19 114.58 118.58 1k9m h GLU 41 Ca 0.42 -0.66 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1k9m h GLU 41 Cb 0.83 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1k9m h GLU 41 CO -0.17 1.27 0.00 0.54 -1.00 0.00 0.00 179.01 179.65 1k9m n ARG 42 N -3.98 0.37 -0.21 2.33 1.74 0.52 -4.90 116.66 112.52 1k9m n ARG 42 Ca -0.12 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1k9m n ARG 42 Cb 0.85 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.79 1k9m n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k9m n GLY 43 N 1.14 2.00 0.00 -0.13 0.00 0.23 -4.87 105.19 103.56 1k9m n GLY 43 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.16 1k9m n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k9m n SER 44 N 0.00 0.00 -4.83 1.61 3.41 -0.87 -4.78 113.62 108.16 1k9m n SER 44 Ca 0.00 -1.45 -0.37 0.00 -0.26 0.00 0.00 58.87 56.80 1k9m n SER 44 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1k9m n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k9m s ALA 45 N -2.00 3.79 -0.15 7.33 0.00 -1.24 -4.26 121.76 125.23 1k9m s ALA 45 Ca 0.02 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.45 1k9m s ALA 45 Cb 0.01 -2.12 -0.11 0.00 0.00 0.00 0.00 23.12 20.90 1k9m s ALA 45 CO 0.01 0.46 -0.10 0.39 0.00 0.00 0.00 175.76 176.53 1k9m n GLU 46 N 2.40 0.77 -3.65 0.00 1.02 -0.95 -4.84 120.64 115.39 1k9m n GLU 46 Ca -0.17 0.07 -0.10 0.00 -0.02 0.00 0.00 57.16 56.93 1k9m n GLU 46 Cb 0.54 -1.31 -0.11 0.00 -0.02 0.00 0.00 31.44 30.54 1k9m n GLU 46 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1k9m s LEU 47 N -5.68 -0.53 -0.12 -4.62 2.96 -1.21 -3.77 118.68 105.71 1k9m s LEU 47 Ca -0.18 0.84 -0.03 0.00 -0.22 0.00 0.00 54.13 54.55 1k9m s LEU 47 Cb 0.05 1.13 -0.03 0.00 0.50 0.00 0.00 46.19 47.84 1k9m s LEU 47 CO 0.39 -0.24 -0.01 0.68 -1.32 0.00 0.00 176.35 175.86 1k9m s VAL 48 N 2.55 4.19 -0.15 1.68 -7.23 -0.30 -0.53 120.40 120.62 1k9m s VAL 48 Ca -0.00 -0.27 -0.06 0.00 -1.81 0.00 0.00 61.98 59.84 1k9m s VAL 48 Cb -0.12 -2.80 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 1k9m s VAL 48 CO -0.11 0.55 0.06 -0.36 -0.31 0.00 0.00 175.10 174.92 1k9m s PHE 49 N -0.30 3.29 -0.10 2.82 0.40 0.89 -0.88 117.98 124.10 1k9m s PHE 49 Ca 0.06 0.19 -0.01 0.00 -0.60 0.00 0.00 56.93 56.57 1k9m s PHE 49 Cb -0.12 -1.98 0.03 0.00 0.51 0.00 0.00 43.02 41.46 1k9m s PHE 49 CO 0.02 0.35 -0.04 0.08 0.70 0.00 0.00 175.22 176.33 1k9m s VAL 50 N -0.22 0.77 0.79 -0.44 1.01 -0.72 -0.60 120.40 120.97 1k9m s VAL 50 Ca 0.08 -0.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 1k9m s VAL 50 Cb -0.12 -0.87 0.07 0.00 0.00 0.00 0.00 36.38 35.46 1k9m s VAL 50 CO 0.01 0.29 1.12 0.00 0.00 0.00 0.00 175.10 176.53 1k9m s ALA 51 N 1.81 2.07 -0.91 5.51 0.00 0.04 -1.33 121.76 128.94 1k9m s ALA 51 Ca 0.05 0.48 0.09 0.00 0.00 0.00 0.00 51.96 52.58 1k9m s ALA 51 Cb -0.13 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.66 1k9m s ALA 51 CO -0.07 -1.96 0.65 0.39 0.00 0.00 0.00 175.76 174.77 1k9m n GLU 52 N -3.42 1.48 -1.30 0.00 1.02 0.02 -4.53 120.64 113.91 1k9m n GLU 52 Ca 0.11 -0.73 -0.19 0.00 -0.02 0.00 0.00 57.16 56.32 1k9m n GLU 52 Cb 0.52 -1.09 0.12 0.00 -0.02 0.00 0.00 31.44 30.98 1k9m n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1k9m n ASP 53 N 0.00 4.52 -4.68 1.62 5.75 -1.23 -4.48 116.55 118.07 1k9m n ASP 53 Ca 0.04 -3.77 -0.40 0.00 -0.01 0.00 0.00 54.79 50.66 1k9m n ASP 53 Cb 0.20 -0.66 -0.06 0.00 -1.03 0.00 0.00 41.12 39.57 1k9m n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1k9m s VAL 54 N -4.01 5.05 -0.05 2.12 1.01 -1.26 -4.89 120.40 118.37 1k9m s VAL 54 Ca 0.53 1.18 -0.01 0.00 0.00 0.00 0.00 61.98 63.67 1k9m s VAL 54 Cb 0.44 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.92 1k9m s VAL 54 CO 0.02 0.16 0.03 -1.58 0.00 0.00 0.00 175.10 173.73 1k9m s GLN 55 N 1.56 0.28 0.59 2.72 -0.44 -1.26 -3.46 119.66 119.65 1k9m s GLN 55 Ca 0.29 0.22 -0.17 0.00 -2.50 0.00 0.00 55.36 53.21 1k9m s GLN 55 Cb -0.16 -0.72 -0.04 0.00 -1.64 0.00 0.00 33.01 30.45 1k9m s GLN 55 CO 0.11 -0.30 1.08 -2.14 0.50 0.00 0.00 175.29 174.54 1k9m s PRO 56 N 1.97 3.25 0.05 1.67 0.02 -1.26 -5.08 135.00 135.63 1k9m s PRO 56 Ca 0.04 1.32 0.19 0.00 0.02 0.00 0.00 61.00 62.57 1k9m s PRO 56 Cb -0.12 -2.02 0.79 0.00 0.02 0.00 0.00 34.50 33.17 1k9m s PRO 56 CO -0.04 -0.88 1.59 0.39 -0.33 0.00 0.00 177.00 177.73 1k9m n GLU 57 N -1.90 0.05 -0.37 5.54 1.02 -1.22 -3.20 120.64 120.55 1k9m n GLU 57 Ca 0.10 0.24 -0.00 0.00 -0.02 0.00 0.00 57.16 57.47 1k9m n GLU 57 Cb 0.52 -1.58 0.13 0.00 -0.02 0.00 0.00 31.44 30.50 1k9m n GLU 57 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1k9m h GLU 58 N 0.00 1.24 0.00 3.49 3.07 -1.98 -1.04 114.58 119.36 1k9m h GLU 58 Ca 0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1k9m h GLU 58 Cb 0.33 -0.28 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1k9m h GLU 58 CO 0.00 0.82 0.29 0.82 -1.40 0.00 0.00 179.01 179.54 1k9m h ILE 59 N 1.28 0.00 0.00 3.13 2.04 -1.95 -2.87 117.51 119.14 1k9m h ILE 59 Ca 0.39 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.25 1k9m h ILE 59 Cb -0.03 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1k9m h ILE 59 CO -0.12 0.00 -0.26 0.52 0.00 0.00 0.00 178.15 178.30 1k9m n VAL 60 N -2.47 0.00 -0.24 1.67 0.31 -0.92 -4.86 118.33 111.83 1k9m n VAL 60 Ca -0.01 -0.10 0.18 0.00 -0.01 0.00 0.00 64.34 64.40 1k9m n VAL 60 Cb 0.33 0.56 0.34 0.00 -0.91 0.00 0.00 33.84 34.16 1k9m n VAL 60 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1k9m n MET 61 N -0.58 -0.05 0.20 5.55 2.81 -0.44 -0.70 117.12 123.91 1k9m n MET 61 Ca 0.00 1.02 0.07 0.00 -1.81 0.00 0.00 57.70 56.98 1k9m n MET 61 Cb 0.00 -1.75 0.34 0.00 -0.71 0.00 0.00 33.22 31.10 1k9m n MET 61 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1k9m h HIS 62 N 0.00 0.00 -0.28 2.03 2.07 -1.88 -3.36 115.15 113.73 1k9m h HIS 62 Ca 0.54 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 58.12 1k9m h HIS 62 Cb 1.35 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 31.25 1k9m h HIS 62 CO -0.14 0.32 -0.44 0.82 -3.07 0.00 0.00 177.93 175.42 1k9m h ILE 63 N 0.00 0.11 0.00 6.12 1.08 -1.27 -1.61 117.51 121.94 1k9m h ILE 63 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1k9m h ILE 63 Cb 0.91 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 1k9m h ILE 63 CO 0.04 0.00 0.00 -2.65 -0.69 0.00 0.00 178.15 174.85 1k9m n PRO 64 N -5.42 0.00 -0.33 2.37 -0.02 -1.26 -0.31 135.00 130.03 1k9m n PRO 64 Ca -0.02 0.33 0.14 0.00 -2.02 0.00 0.00 63.50 61.93 1k9m n PRO 64 Cb 0.36 -0.98 0.33 0.00 -0.02 0.00 0.00 33.50 33.18 1k9m n PRO 64 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1k9m h GLU 65 N 0.00 0.54 -0.21 -0.52 4.81 -1.82 0.10 114.58 117.49 1k9m h GLU 65 Ca 0.00 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1k9m h GLU 65 Cb 0.00 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.21 1k9m h GLU 65 CO 0.00 0.36 -0.08 1.25 -0.73 0.00 0.00 179.01 179.80 1k9m h LEU 66 N 0.56 -0.29 -1.19 1.64 5.85 -1.07 -0.96 115.31 119.85 1k9m h LEU 66 Ca 0.58 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.38 1k9m h LEU 66 Cb 1.04 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 1k9m h LEU 66 CO -0.46 -0.11 0.49 0.00 -0.34 0.00 0.00 178.44 178.01 1k9m h ALA 67 N 1.14 1.40 -0.46 1.25 0.00 0.17 -2.76 119.26 120.01 1k9m h ALA 67 Ca 0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1k9m h ALA 67 Cb 0.21 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1k9m h ALA 67 CO -0.24 0.53 0.14 -0.44 0.00 0.00 0.00 179.25 179.24 1k9m h ASP 68 N 1.06 0.68 0.00 0.00 3.32 0.00 -1.82 116.42 119.66 1k9m h ASP 68 Ca 0.28 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1k9m h ASP 68 Cb -0.08 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.29 1k9m h ASP 68 CO -0.06 0.71 0.00 -1.84 -1.72 0.00 0.00 179.24 176.33 1k9m n GLU 69 N -4.53 0.92 -0.00 3.56 0.28 -0.47 -2.55 120.64 117.84 1k9m n GLU 69 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1k9m n GLU 69 Cb 0.19 -1.29 0.00 0.00 1.43 0.00 0.00 31.44 31.78 1k9m n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1k9m n LYS 70 N -0.79 2.67 0.00 3.44 4.76 -0.86 -4.99 118.16 122.38 1k9m n LYS 70 Ca 0.13 -1.43 0.00 0.00 -2.87 0.00 0.00 58.31 54.14 1k9m n LYS 70 Cb 0.06 -0.96 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 1k9m n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1k9m n GLY 71 N -0.47 0.88 3.75 0.72 0.00 -0.74 -4.94 105.19 104.39 1k9m n GLY 71 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1k9m n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k9m s VAL 72 N -0.87 2.23 0.36 1.61 1.01 -0.96 -4.97 120.40 118.81 1k9m s VAL 72 Ca 0.00 0.19 -0.17 0.00 0.00 0.00 0.00 61.98 62.00 1k9m s VAL 72 Cb 0.00 -3.12 -0.10 0.00 0.00 0.00 0.00 36.38 33.16 1k9m s VAL 72 CO 0.00 0.03 0.82 -2.84 0.00 0.00 0.00 175.10 173.11 1k9m s PRO 73 N -0.41 4.10 -0.03 2.72 0.02 -1.25 -4.46 135.00 135.69 1k9m s PRO 73 Ca 0.63 0.85 -0.05 0.00 0.02 0.00 0.00 61.00 62.44 1k9m s PRO 73 Cb -0.46 -2.35 0.01 0.00 0.02 0.00 0.00 34.50 31.72 1k9m s PRO 73 CO 0.46 0.09 0.13 -0.59 -0.33 0.00 0.00 177.00 176.76 1k9m s PHE 74 N -2.05 -0.08 0.02 6.54 -0.12 -1.26 -1.15 117.98 119.88 1k9m s PHE 74 Ca 0.57 0.19 0.05 0.00 -0.05 0.00 0.00 56.93 57.69 1k9m s PHE 74 Cb -0.10 0.01 -0.02 0.00 -0.63 0.00 0.00 43.02 42.29 1k9m s PHE 74 CO 0.16 -0.13 -0.15 -1.50 -0.05 0.00 0.00 175.22 173.55 1k9m s ILE 75 N -0.38 1.18 0.11 -4.49 2.07 -0.06 -4.96 121.20 114.67 1k9m s ILE 75 Ca -0.05 -0.83 -0.18 0.00 -1.41 0.00 0.00 60.65 58.18 1k9m s ILE 75 Cb -0.03 -1.02 -0.07 0.00 0.13 0.00 0.00 42.46 41.47 1k9m s ILE 75 CO 0.00 0.18 0.58 -0.36 -1.91 0.00 0.00 174.94 173.44 1k9m s PHE 76 N -0.60 3.74 -0.00 3.50 2.99 -1.26 -1.76 117.98 124.59 1k9m s PHE 76 Ca 0.04 1.24 0.08 0.00 0.00 0.00 0.00 56.93 58.29 1k9m s PHE 76 Cb -0.07 -2.48 -0.02 0.00 0.00 0.00 0.00 43.02 40.45 1k9m s PHE 76 CO 0.00 0.52 -0.24 0.08 -0.00 0.00 0.00 175.22 175.58 1k9m s VAL 77 N -1.25 1.92 -0.05 -0.44 1.01 -0.45 -4.84 120.40 116.30 1k9m s VAL 77 Ca 0.33 -1.10 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 1k9m s VAL 77 Cb -0.18 -1.60 -0.17 0.00 0.00 0.00 0.00 36.38 34.43 1k9m s VAL 77 CO 0.19 0.48 0.91 -0.33 0.00 0.00 0.00 175.10 176.35 1k9m h GLU 78 N 5.36 -0.16 -6.14 2.72 4.39 -1.94 0.11 114.58 118.92 1k9m h GLU 78 Ca -0.42 0.01 -0.56 0.00 0.34 0.00 0.00 59.36 58.72 1k9m h GLU 78 Cb 1.13 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.77 1k9m h GLU 78 CO 0.46 0.31 0.01 -0.65 -1.16 0.00 0.00 179.01 177.99 1k9m s GLN 79 N -3.42 4.33 0.14 2.33 -1.52 -1.26 -3.48 119.66 116.79 1k9m s GLN 79 Ca -0.13 0.79 -0.07 0.00 -1.95 0.00 0.00 55.36 54.00 1k9m s GLN 79 Cb 0.00 -3.33 -0.06 0.00 -0.22 0.00 0.00 33.01 29.40 1k9m s GLN 79 CO 0.51 0.39 1.35 0.37 -0.25 0.00 0.00 175.29 177.67 1k9m h GLN 80 N 5.48 0.57 0.00 2.91 4.15 -1.87 -3.16 115.11 123.20 1k9m h GLN 80 Ca -0.46 -0.49 -0.06 0.00 0.77 0.00 0.00 58.65 58.41 1k9m h GLN 80 Cb 1.20 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.99 1k9m h GLN 80 CO 0.69 1.12 -0.31 -0.44 -1.93 0.00 0.00 178.83 177.96 1k9m h ASP 81 N 0.37 0.00 -0.14 -0.69 3.32 -1.91 -1.84 116.42 115.53 1k9m h ASP 81 Ca -0.05 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 1k9m h ASP 81 Cb 1.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.96 1k9m h ASP 81 CO 0.15 0.31 -0.26 0.44 -1.72 0.00 0.00 179.24 178.16 1k9m h ASP 82 N 0.00 0.47 -0.78 6.45 3.32 -1.93 0.38 116.42 124.33 1k9m h ASP 82 Ca -0.00 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1k9m h ASP 82 Cb 1.06 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.43 1k9m h ASP 82 CO 0.04 0.93 0.50 0.25 -1.72 0.00 0.00 179.24 179.24 1k9m h LEU 83 N 0.02 0.92 -0.08 1.55 5.85 -1.51 0.37 115.31 122.43 1k9m h LEU 83 Ca 0.01 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1k9m h LEU 83 Cb 0.85 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1k9m h LEU 83 CO 0.06 0.68 -0.01 1.23 -0.34 0.00 0.00 178.44 180.07 1k9m h GLY 84 N 1.08 0.15 1.00 3.75 0.00 -1.35 -0.68 103.07 107.02 1k9m h GLY 84 Ca 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 1k9m h GLY 84 CO -0.06 0.11 0.35 0.84 0.00 0.00 0.00 176.54 177.78 1k9m h HIS 85 N -0.16 0.81 -0.35 5.60 -0.00 -0.23 0.28 115.15 121.11 1k9m h HIS 85 Ca 0.02 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.35 1k9m h HIS 85 Cb 0.36 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.49 1k9m h HIS 85 CO 0.04 0.57 0.07 0.00 -0.00 0.00 0.00 177.93 178.61 1k9m h ALA 86 N 1.17 1.49 0.00 5.26 0.00 -0.25 -0.61 119.26 126.31 1k9m h ALA 86 Ca 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1k9m h ALA 86 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1k9m h ALA 86 CO -0.04 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.59 1k9m n ALA 87 N -2.48 2.33 -0.26 0.00 0.00 -0.27 -3.87 120.51 115.97 1k9m n ALA 87 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1k9m n ALA 87 Cb 0.19 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1k9m n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k9m n GLY 88 N 1.00 0.86 3.91 0.00 0.00 -0.24 -4.97 105.19 105.76 1k9m n GLY 88 Ca 0.12 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1k9m n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k9m s LEU 89 N 0.00 4.27 0.29 0.99 1.43 0.03 -5.00 118.68 120.69 1k9m s LEU 89 Ca 0.00 0.46 0.24 0.00 -1.03 0.00 0.00 54.13 53.79 1k9m s LEU 89 Cb 0.00 -3.19 0.32 0.00 0.03 0.00 0.00 46.19 43.36 1k9m s LEU 89 CO 0.00 0.05 1.44 -0.08 0.23 0.00 0.00 176.35 177.99 1k9m h GLU 90 N 2.61 0.00 -6.28 1.70 4.81 -1.94 -3.31 114.58 112.17 1k9m h GLU 90 Ca -0.46 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.22 1k9m h GLU 90 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1k9m h GLU 90 CO 0.72 0.00 -0.19 0.08 -0.73 0.00 0.00 179.01 178.89 1k9m s VAL 91 N -3.23 1.83 0.47 0.32 1.01 -1.26 -4.98 120.40 114.55 1k9m s VAL 91 Ca 0.05 -1.25 -0.05 0.00 0.00 0.00 0.00 61.98 60.73 1k9m s VAL 91 Cb 0.09 -2.08 0.10 0.00 0.00 0.00 0.00 36.38 34.49 1k9m s VAL 91 CO 0.70 0.00 0.64 0.61 0.00 0.00 0.00 175.10 177.04 1k9m n GLY 92 N -2.02 -0.42 3.54 4.51 0.00 -1.26 -4.11 105.19 105.42 1k9m n GLY 92 Ca 0.07 -1.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.18 1k9m n GLY 92 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1k9m s SER 93 N -3.42 -0.82 0.17 1.61 0.15 -0.73 -4.70 113.70 105.97 1k9m s SER 93 Ca 0.38 1.34 -0.05 0.00 0.70 0.00 0.00 55.95 58.33 1k9m s SER 93 Cb -0.01 1.23 0.06 0.00 -1.71 0.00 0.00 66.02 65.58 1k9m s SER 93 CO 0.26 -0.23 1.46 0.00 1.20 0.00 0.00 173.24 175.94 1k9m h ALA 94 N 6.86 0.62 -2.64 5.45 0.00 -1.95 -3.39 119.26 124.21 1k9m h ALA 94 Ca -0.32 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 53.99 1k9m h ALA 94 Cb 1.21 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 1k9m h ALA 94 CO 0.19 0.70 -0.17 0.00 0.00 0.00 0.00 179.25 179.97 1k9m s ALA 95 N -3.92 -0.74 0.11 0.00 0.00 -1.26 -0.78 121.76 115.17 1k9m s ALA 95 Ca -0.08 -0.12 -0.09 0.00 0.00 0.00 0.00 51.96 51.67 1k9m s ALA 95 Cb 0.11 0.54 -0.00 0.00 0.00 0.00 0.00 23.12 23.77 1k9m s ALA 95 CO 0.85 -0.55 0.21 0.00 0.00 0.00 0.00 175.76 176.27 1k9m s ALA 96 N -3.45 -0.16 -0.06 0.00 0.00 0.23 -2.01 121.76 116.31 1k9m s ALA 96 Ca 0.01 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 1k9m s ALA 96 Cb 0.02 0.58 0.04 0.00 0.00 0.00 0.00 23.12 23.75 1k9m s ALA 96 CO -0.09 -0.54 0.11 0.00 0.00 0.00 0.00 175.76 175.24 1k9m s ALA 97 N -3.89 -0.01 -0.65 0.00 0.00 0.66 -0.08 121.76 117.80 1k9m s ALA 97 Ca 0.08 0.42 -0.27 0.00 0.00 0.00 0.00 51.96 52.19 1k9m s ALA 97 Cb 0.05 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.57 1k9m s ALA 97 CO -0.08 -0.42 1.21 0.08 0.00 0.00 0.00 175.76 176.54 1k9m s VAL 98 N 1.94 3.93 -0.90 0.00 1.01 0.31 0.88 120.40 127.58 1k9m s VAL 98 Ca 0.01 0.62 -0.17 0.00 0.00 0.00 0.00 61.98 62.43 1k9m s VAL 98 Cb -0.12 -4.79 0.17 0.00 0.00 0.00 0.00 36.38 31.63 1k9m s VAL 98 CO -0.04 -1.55 0.99 0.28 0.00 0.00 0.00 175.10 174.77 1k9m s THR 99 N 5.19 5.11 -0.09 3.92 -1.32 0.19 -2.24 115.64 126.39 1k9m s THR 99 Ca 0.38 -1.98 -0.00 0.00 -1.21 0.00 0.00 61.69 58.88 1k9m s THR 99 Cb -0.08 -4.65 0.00 0.00 -1.51 0.00 0.00 72.50 66.25 1k9m s THR 99 CO 0.20 -1.31 0.00 0.47 -2.21 0.00 0.00 174.62 171.77 1k9m n ASP 100 N 5.45 -3.65 -3.22 8.08 9.92 -1.25 -3.37 116.55 128.51 1k9m n ASP 100 Ca 0.20 0.43 -0.02 0.00 -0.53 0.00 0.00 54.79 54.87 1k9m n ASP 100 Cb 0.48 -2.29 0.02 0.00 -0.64 0.00 0.00 41.12 38.69 1k9m n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k9m n ALA 101 N 0.23 -0.31 -3.36 2.24 0.00 -1.26 -1.72 120.51 116.33 1k9m n ALA 101 Ca -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.36 1k9m n ALA 101 Cb 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 1k9m n ALA 101 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1k9m s GLY 102 N -0.68 -0.67 -1.16 0.00 0.00 -1.26 -3.91 107.32 99.63 1k9m s GLY 102 Ca 0.04 2.36 -0.02 0.00 0.00 0.00 0.00 44.72 47.10 1k9m s GLY 102 CO 0.03 3.31 0.10 0.00 0.00 0.00 0.00 173.10 176.54 1k9m n ALA 103 N 5.36 -0.82 -1.84 3.20 0.00 -1.26 -4.30 120.51 120.85 1k9m n ALA 103 Ca -0.07 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1k9m n ALA 103 Cb 0.51 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1k9m n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k9m n ALA 104 N -2.47 0.14 0.22 0.00 0.00 -1.26 -4.90 120.51 112.24 1k9m n ALA 104 Ca -0.13 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.41 1k9m n ALA 104 Cb 0.61 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.66 1k9m n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k9m h ALA 105 N 0.00 1.15 -0.86 0.00 0.00 -1.89 0.56 119.26 118.22 1k9m h ALA 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1k9m h ALA 105 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1k9m h ALA 105 CO 0.00 -0.15 0.00 2.41 0.00 0.00 0.00 179.25 181.51 1k9m n THR 106 N -2.39 0.00 -0.32 0.00 -1.04 -1.26 -2.43 114.28 106.84 1k9m n THR 106 Ca -0.01 0.36 0.18 0.00 -2.04 0.00 0.00 64.05 62.53 1k9m n THR 106 Cb 0.23 -1.13 0.37 0.00 -1.82 0.00 0.00 70.33 67.98 1k9m n THR 106 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1k9m h VAL 107 N 0.00 0.23 0.07 12.58 2.07 -1.83 -0.83 116.25 128.54 1k9m h VAL 107 Ca 0.00 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1k9m h VAL 107 Cb 0.00 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1k9m h VAL 107 CO 0.00 0.03 -0.05 0.25 0.02 0.00 0.00 177.57 177.83 1k9m h LEU 108 N 0.19 -0.13 -1.24 2.57 5.85 -0.05 -0.98 115.31 121.52 1k9m h LEU 108 Ca 0.64 0.01 0.45 0.00 0.84 0.00 0.00 57.88 59.82 1k9m h LEU 108 Cb 1.40 0.04 -0.15 0.00 0.37 0.00 0.00 40.66 42.31 1k9m h LEU 108 CO -0.69 -0.07 0.76 1.21 -0.34 0.00 0.00 178.44 179.31 1k9m n GLU 109 N -2.48 -0.04 0.09 1.25 2.13 -0.41 0.96 120.64 122.14 1k9m n GLU 109 Ca -0.01 1.29 -0.06 0.00 0.66 0.00 0.00 57.16 59.03 1k9m n GLU 109 Cb 0.05 -2.46 0.02 0.00 0.27 0.00 0.00 31.44 29.32 1k9m n GLU 109 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1k9m h GLU 110 N 0.00 0.11 -0.26 5.31 5.08 -1.03 -2.62 114.58 121.16 1k9m h GLU 110 Ca 0.86 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.99 1k9m h GLU 110 Cb 2.62 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.89 1k9m h GLU 110 CO -0.57 0.87 -0.33 0.82 -1.00 0.00 0.00 179.01 178.80 1k9m h ILE 111 N 0.06 1.29 -0.25 3.13 2.04 0.20 0.12 117.51 124.10 1k9m h ILE 111 Ca -0.03 -1.44 -0.06 0.00 1.00 0.00 0.00 64.86 64.33 1k9m h ILE 111 Cb 1.43 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 1k9m h ILE 111 CO 0.12 0.46 -0.11 0.00 0.00 0.00 0.00 178.15 178.61 1k9m h ALA 112 N 1.17 1.34 -0.01 1.87 0.00 -1.17 -1.74 119.26 120.72 1k9m h ALA 112 Ca 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1k9m h ALA 112 Cb 0.80 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1k9m h ALA 112 CO 0.07 0.45 -0.05 -0.44 0.00 0.00 0.00 179.25 179.28 1k9m h ASP 113 N 0.39 0.06 -0.71 0.00 3.32 -0.97 -2.02 116.42 116.49 1k9m h ASP 113 Ca 0.08 -0.67 0.13 0.00 0.02 0.00 0.00 57.03 56.59 1k9m h ASP 113 Cb 0.44 -0.02 -0.09 0.00 0.22 0.00 0.00 39.33 39.88 1k9m h ASP 113 CO 0.02 0.72 0.26 0.11 -1.72 0.00 0.00 179.24 178.63 1k9m h LYS 114 N -0.60 0.39 -0.17 3.56 1.57 -0.59 -0.86 116.57 119.87 1k9m h LYS 114 Ca -0.00 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1k9m h LYS 114 Cb 0.72 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1k9m h LYS 114 CO 0.01 0.26 -0.06 0.28 -0.57 0.00 0.00 179.45 179.37 1k9m h VAL 115 N 0.40 1.30 -0.83 0.50 2.07 -1.37 0.10 116.25 118.42 1k9m h VAL 115 Ca 0.38 -1.06 0.17 0.00 0.82 0.00 0.00 66.70 67.01 1k9m h VAL 115 Cb 0.57 1.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 1k9m h VAL 115 CO -0.39 0.31 0.55 -0.33 0.02 0.00 0.00 177.57 177.73 1k9m h GLU 116 N 0.03 0.44 0.00 1.57 4.39 -0.60 0.48 114.58 120.91 1k9m h GLU 116 Ca 0.04 -0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.53 1k9m h GLU 116 Cb 0.51 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1k9m h GLU 116 CO 0.02 0.29 -0.86 0.93 -1.16 0.00 0.00 179.01 178.23 1k9m h GLU 117 N 0.46 0.05 0.00 2.33 5.08 -0.86 -2.65 114.58 118.98 1k9m h GLU 117 Ca 0.42 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1k9m h GLU 117 Cb 0.94 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1k9m h GLU 117 CO -0.15 0.88 0.00 -0.11 -1.00 0.00 0.00 179.01 178.62 1k9m n LEU 118 N -3.56 0.00 0.00 1.33 7.94 0.16 -5.09 117.00 117.78 1k9m n LEU 118 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1k9m n LEU 118 Cb 0.81 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.76 1k9m n LEU 118 CO 0.46 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.60