#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9m s LYS 2 N 0.00 3.60 -0.16 4.33 -0.14 -1.26 -4.98 119.74 121.14 1k9m s LYS 2 Ca 0.00 1.16 0.05 0.00 -1.36 0.00 0.00 55.97 55.82 1k9m s LYS 2 Cb 0.00 -2.08 -0.13 0.00 -1.68 0.00 0.00 37.83 33.94 1k9m s LYS 2 CO 0.00 -0.57 -0.08 2.41 -0.76 0.00 0.00 175.35 176.35 1k9m n THR 3 N -1.68 0.98 -2.04 2.17 -1.04 -1.26 -4.95 114.28 106.47 1k9m n THR 3 Ca 0.08 -0.46 -0.42 0.00 -2.04 0.00 0.00 64.05 61.21 1k9m n THR 3 Cb 0.53 -0.94 -0.03 0.00 -1.82 0.00 0.00 70.33 68.07 1k9m n THR 3 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1k9m s ASN 4 N -5.32 6.69 0.37 8.00 3.84 -1.26 -4.89 114.94 122.38 1k9m s ASN 4 Ca -0.17 2.26 0.16 0.00 0.21 0.00 0.00 52.86 55.31 1k9m s ASN 4 Cb 0.05 -2.54 0.74 0.00 -0.55 0.00 0.00 41.25 38.95 1k9m s ASN 4 CO 0.46 -0.88 1.79 -0.65 -2.79 0.00 0.00 177.10 175.04 1k9m h PRO 5 N 8.96 0.00 0.35 0.43 0.11 -1.99 -2.40 132.00 137.46 1k9m h PRO 5 Ca -0.39 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 1k9m h PRO 5 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1k9m h PRO 5 CO 0.94 0.38 -0.17 0.00 -0.21 0.00 0.00 178.00 178.94 1k9m h ARG 6 N 0.00 -0.46 -0.64 1.05 3.08 -1.99 -1.71 114.38 113.72 1k9m h ARG 6 Ca -0.00 0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.23 1k9m h ARG 6 Cb 0.76 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.88 1k9m h ARG 6 CO 0.05 -0.14 0.44 1.25 -1.07 0.00 0.00 179.97 180.50 1k9m h LEU 7 N -0.96 0.19 0.05 3.04 5.85 -1.96 0.25 115.31 121.77 1k9m h LEU 7 Ca -0.05 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1k9m h LEU 7 Cb 0.52 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1k9m h LEU 7 CO 0.08 0.10 -0.03 -1.28 -0.34 0.00 0.00 178.44 176.98 1k9m h SER 8 N 0.21 -0.06 -0.58 1.25 0.87 -1.36 -2.15 113.55 111.72 1k9m h SER 8 Ca 0.31 -0.31 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 1k9m h SER 8 Cb 0.92 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 1k9m h SER 8 CO -0.06 0.28 0.08 0.28 -0.53 0.00 0.00 176.83 176.89 1k9m h SER 9 N -0.41 0.94 -0.98 6.23 0.02 -0.16 -1.34 113.55 117.84 1k9m h SER 9 Ca -0.01 -0.27 0.07 0.00 -0.84 0.00 0.00 61.79 60.74 1k9m h SER 9 Cb 0.37 -0.25 -0.07 0.00 0.14 0.00 0.00 62.40 62.59 1k9m h SER 9 CO 0.01 0.97 0.64 0.25 -1.14 0.00 0.00 176.83 177.55 1k9m h LEU 10 N 0.87 1.00 -0.46 5.07 5.85 -0.57 0.90 115.31 127.97 1k9m h LEU 10 Ca 0.18 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.78 1k9m h LEU 10 Cb 0.44 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1k9m h LEU 10 CO 0.01 0.64 -0.19 0.40 -0.34 0.00 0.00 178.44 178.96 1k9m h ILE 11 N 1.14 1.27 -0.60 4.05 2.04 -0.80 -0.55 117.51 124.06 1k9m h ILE 11 Ca 0.43 -1.34 -0.06 0.00 1.00 0.00 0.00 64.86 64.89 1k9m h ILE 11 Cb 0.19 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1k9m h ILE 11 CO -0.17 0.46 0.14 0.00 0.00 0.00 0.00 178.15 178.57 1k9m h ALA 12 N 0.86 0.79 -0.70 1.87 0.00 -0.33 -2.49 119.26 119.24 1k9m h ALA 12 Ca 0.11 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1k9m h ALA 12 Cb 0.76 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1k9m h ALA 12 CO 0.06 0.50 0.21 -0.44 0.00 0.00 0.00 179.25 179.59 1k9m h ASP 13 N 0.87 1.03 -0.46 0.00 3.32 -0.64 -1.76 116.42 118.78 1k9m h ASP 13 Ca 0.19 -0.21 0.04 0.00 0.02 0.00 0.00 57.03 57.07 1k9m h ASP 13 Cb 0.36 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1k9m h ASP 13 CO 0.00 0.97 0.31 -0.07 -1.72 0.00 0.00 179.24 178.73 1k9m h LEU 14 N 1.04 0.39 0.21 1.55 3.38 -0.91 -2.01 115.31 118.97 1k9m h LEU 14 Ca 0.23 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1k9m h LEU 14 Cb 0.31 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1k9m h LEU 14 CO -0.01 0.26 -0.10 0.11 0.09 0.00 0.00 178.44 178.80 1k9m h LYS 15 N 0.45 -0.27 -1.04 1.13 1.57 -0.93 -2.71 116.57 114.76 1k9m h LYS 15 Ca 0.19 0.02 0.26 0.00 -1.87 0.00 0.00 60.65 59.25 1k9m h LYS 15 Cb 0.19 0.06 -0.10 0.00 0.08 0.00 0.00 32.23 32.47 1k9m h LYS 15 CO -0.05 0.11 0.66 1.03 -0.57 0.00 0.00 179.45 180.64 1k9m h SER 16 N -0.83 0.48 -0.08 0.86 0.87 -0.90 -0.36 113.55 113.58 1k9m h SER 16 Ca -0.03 0.09 -0.24 0.00 -1.23 0.00 0.00 61.79 60.38 1k9m h SER 16 Cb 0.51 0.02 0.02 0.00 -0.44 0.00 0.00 62.40 62.50 1k9m h SER 16 CO 0.05 0.09 -0.89 0.00 -0.53 0.00 0.00 176.83 175.55 1k9m h ALA 17 N 1.63 0.22 -0.02 6.23 0.00 -1.40 -2.27 119.26 123.66 1k9m h ALA 17 Ca 0.60 -0.64 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1k9m h ALA 17 Cb 1.48 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1k9m h ALA 17 CO -0.32 0.67 -0.42 0.00 0.00 0.00 0.00 179.25 179.18 1k9m h ALA 18 N 0.48 1.27 0.06 0.00 0.00 -0.78 -0.63 119.26 119.66 1k9m h ALA 18 Ca -0.09 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1k9m h ALA 18 Cb 1.53 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1k9m h ALA 18 CO 0.18 0.54 -0.03 0.00 0.00 0.00 0.00 179.25 179.94 1k9m h ARG 19 N 0.04 -0.08 0.00 0.00 3.08 -1.30 -3.35 114.38 112.77 1k9m h ARG 19 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1k9m h ARG 19 Cb 0.75 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1k9m h ARG 19 CO 0.06 0.02 0.00 0.43 -1.07 0.00 0.00 179.97 179.41 1k9m n SER 20 N -4.82 0.00 -4.58 7.04 7.64 -0.85 -4.71 113.62 113.34 1k9m n SER 20 Ca -0.02 0.82 -0.29 0.00 1.01 0.00 0.00 58.87 60.39 1k9m n SER 20 Cb 0.07 -0.33 0.21 0.00 -1.01 0.00 0.00 64.21 63.15 1k9m n SER 20 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1k9m s SER 21 N -2.01 1.82 0.00 6.43 0.01 -0.25 -4.86 113.70 114.85 1k9m s SER 21 Ca 0.00 1.49 0.06 0.00 1.31 0.00 0.00 55.95 58.81 1k9m s SER 21 Cb 0.00 -2.20 0.34 0.00 0.21 0.00 0.00 66.02 64.37 1k9m s SER 21 CO 0.00 -3.68 1.19 0.61 0.41 0.00 0.00 173.24 171.78 1k9m n GLY 22 N 0.05 -0.97 3.60 3.44 0.00 -1.26 -4.54 105.19 105.50 1k9m n GLY 22 Ca 0.05 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1k9m n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k9m n GLY 23 N 0.56 -0.43 0.00 -0.02 0.00 -1.25 -4.93 105.19 99.13 1k9m n GLY 23 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1k9m n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k9m n ALA 24 N -1.54 1.60 -0.13 4.61 0.00 -1.26 -4.59 120.51 119.19 1k9m n ALA 24 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.48 1k9m n ALA 24 Cb 0.46 0.15 -0.01 0.00 0.00 0.00 0.00 19.45 20.05 1k9m n ALA 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1k9m h VAL 25 N 0.00 1.20 -0.80 0.00 -1.51 -1.92 -1.42 116.25 111.80 1k9m h VAL 25 Ca 0.00 -0.62 0.06 0.00 -1.23 0.00 0.00 66.70 64.91 1k9m h VAL 25 Cb 0.59 0.87 -0.06 0.00 -2.13 0.00 0.00 31.29 30.55 1k9m h VAL 25 CO 0.00 0.22 0.49 -0.50 -1.23 0.00 0.00 177.57 176.55 1k9m h TRP 26 N 0.50 0.90 -0.01 5.19 -0.00 -1.85 0.41 115.95 121.08 1k9m h TRP 26 Ca 0.13 0.03 -0.12 0.00 -0.00 0.00 0.00 58.89 58.93 1k9m h TRP 26 Cb 0.20 -0.29 -0.02 0.00 -0.00 0.00 0.00 29.16 29.06 1k9m h TRP 26 CO 0.00 0.45 -0.54 0.78 -0.00 0.00 0.00 178.44 179.14 1k9m h GLY 27 N 0.89 0.04 1.01 1.49 0.00 -1.68 -0.04 103.07 104.78 1k9m h GLY 27 Ca 0.35 -0.05 -0.13 0.00 0.00 0.00 0.00 47.33 47.50 1k9m h GLY 27 CO -0.17 0.05 -0.34 -1.80 0.00 0.00 0.00 176.54 174.27 1k9m h ASP 28 N 0.03 0.81 -0.37 0.19 3.58 0.00 -2.19 116.42 118.46 1k9m h ASP 28 Ca -0.00 -0.49 -0.14 0.00 0.42 0.00 0.00 57.03 56.82 1k9m h ASP 28 Cb 0.96 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 1k9m h ASP 28 CO 0.07 1.13 -0.30 0.58 -2.88 0.00 0.00 179.24 177.85 1k9m h VAL 29 N 0.50 1.27 -0.77 2.25 2.07 -0.15 -2.46 116.25 118.97 1k9m h VAL 29 Ca 0.04 -1.46 0.04 0.00 0.82 0.00 0.00 66.70 66.14 1k9m h VAL 29 Cb 0.92 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 1k9m h VAL 29 CO 0.08 0.49 0.49 0.00 0.02 0.00 0.00 177.57 178.65 1k9m h ALA 30 N 0.89 1.02 -0.48 1.67 0.00 -0.88 -0.01 119.26 121.48 1k9m h ALA 30 Ca 0.08 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1k9m h ALA 30 Cb 0.86 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1k9m h ALA 30 CO 0.08 0.28 -0.09 0.93 0.00 0.00 0.00 179.25 180.44 1k9m h GLU 31 N 0.94 0.86 0.00 0.00 5.08 -1.18 -1.36 114.58 118.91 1k9m h GLU 31 Ca 0.31 -0.29 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 1k9m h GLU 31 Cb 0.04 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1k9m h GLU 31 CO -0.12 0.92 -0.62 -0.09 -1.00 0.00 0.00 179.01 178.09 1k9m h ARG 32 N 0.78 0.00 0.00 2.33 9.65 -0.95 -2.77 114.38 123.42 1k9m h ARG 32 Ca 0.13 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.89 1k9m h ARG 32 Cb 0.60 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.16 1k9m h ARG 32 CO 0.04 0.62 -0.58 -0.07 2.80 0.00 0.00 179.97 182.78 1k9m h LEU 33 N 0.00 0.00 -1.08 3.80 3.38 -0.65 -2.59 115.31 118.17 1k9m h LEU 33 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1k9m h LEU 33 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1k9m h LEU 33 CO 0.08 0.58 -0.28 -0.33 0.09 0.00 0.00 178.44 178.58 1k9m h GLU 34 N 0.00 0.00 -7.38 1.13 5.08 -1.01 -3.45 114.58 108.96 1k9m h GLU 34 Ca -0.01 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 1k9m h GLU 34 Cb 1.19 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.56 1k9m h GLU 34 CO 0.08 0.28 0.31 0.15 -1.00 0.00 0.00 179.01 178.82 1k9m s LYS 35 N -3.67 1.82 0.11 2.33 1.02 -0.98 -4.94 119.74 115.44 1k9m s LYS 35 Ca 0.00 0.74 -0.35 0.00 0.02 0.00 0.00 55.97 56.38 1k9m s LYS 35 Cb 0.11 -1.88 -0.17 0.00 -0.52 0.00 0.00 37.83 35.36 1k9m s LYS 35 CO 0.65 -1.83 1.06 -2.30 -0.92 0.00 0.00 175.35 172.02 1k9m n PRO 36 N -3.59 0.64 -0.46 -1.68 -0.02 -1.26 -4.82 135.00 123.81 1k9m n PRO 36 Ca 0.07 0.23 0.38 0.00 -2.02 0.00 0.00 63.50 62.16 1k9m n PRO 36 Cb 0.56 -1.67 0.70 0.00 -0.02 0.00 0.00 33.50 33.06 1k9m n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k9m h ARG 37 N 3.08 0.08 0.00 -0.52 3.08 -1.92 0.24 114.38 118.42 1k9m h ARG 37 Ca -0.44 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.57 1k9m h ARG 37 Cb 1.38 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.41 1k9m h ARG 37 CO 0.68 0.06 -0.19 0.07 -1.07 0.00 0.00 179.97 179.52 1k9m h ARG 38 N 0.09 0.00 0.00 0.04 0.11 -2.00 -2.29 114.38 110.33 1k9m h ARG 38 Ca 0.74 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.82 1k9m h ARG 38 Cb 2.62 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.70 1k9m h ARG 38 CO -0.19 0.19 -0.39 1.79 0.10 0.00 0.00 179.97 181.47 1k9m h THR 39 N 0.00 0.00 -4.18 0.08 1.35 -0.86 -3.47 112.91 105.83 1k9m h THR 39 Ca -0.00 -0.53 -0.53 0.00 -0.55 0.00 0.00 66.41 64.80 1k9m h THR 39 Cb 0.35 1.28 0.19 0.00 -1.73 0.00 0.00 68.15 68.24 1k9m h THR 39 CO 0.02 0.00 0.26 1.41 -0.25 0.00 0.00 175.52 176.97 1k9m n HIS 40 N -2.24 1.05 -2.41 4.73 8.25 -0.86 -4.95 115.22 118.79 1k9m n HIS 40 Ca 0.04 0.40 -0.32 0.00 -0.26 0.00 0.00 57.72 57.58 1k9m n HIS 40 Cb 0.45 -2.06 -0.03 0.00 1.12 0.00 0.00 29.99 29.46 1k9m n HIS 40 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1k9m s ALA 41 N -2.28 3.03 -0.31 -1.41 0.00 -1.12 -4.95 121.76 114.71 1k9m s ALA 41 Ca 0.71 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.90 1k9m s ALA 41 Cb -0.27 -3.14 0.13 0.00 0.00 0.00 0.00 23.12 19.84 1k9m s ALA 41 CO 0.53 -0.26 0.23 -1.21 0.00 0.00 0.00 175.76 175.06 1k9m s GLU 42 N -3.96 0.37 0.02 0.00 2.02 -1.25 -1.14 118.70 114.75 1k9m s GLU 42 Ca 0.60 -0.63 0.04 0.00 0.02 0.00 0.00 54.97 55.01 1k9m s GLU 42 Cb -0.11 -0.98 -0.03 0.00 0.10 0.00 0.00 34.13 33.11 1k9m s GLU 42 CO 0.30 -1.09 -0.10 0.08 0.02 0.00 0.00 175.26 174.47 1k9m s VAL 43 N 1.87 3.39 0.38 2.63 1.01 -0.24 -4.93 120.40 124.51 1k9m s VAL 43 Ca 0.12 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.27 1k9m s VAL 43 Cb -0.17 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 1k9m s VAL 43 CO -0.23 0.37 0.51 0.20 0.00 0.00 0.00 175.10 175.94 1k9m s ASN 44 N -1.45 5.72 0.43 3.32 0.01 -1.26 0.28 114.94 121.99 1k9m s ASN 44 Ca 0.17 -0.36 0.12 0.00 -0.71 0.00 0.00 52.86 52.07 1k9m s ASN 44 Cb -0.11 -0.88 0.93 0.00 0.41 0.00 0.00 41.25 41.60 1k9m s ASN 44 CO 0.07 -0.61 1.98 -0.07 -1.51 0.00 0.00 177.10 176.96 1k9m h LEU 45 N 0.79 0.14 -1.89 0.60 3.38 -0.71 -2.93 115.31 114.69 1k9m h LEU 45 Ca -0.42 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 57.61 1k9m h LEU 45 Cb 1.27 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 1k9m h LEU 45 CO 0.49 0.26 0.27 1.23 0.09 0.00 0.00 178.44 180.78 1k9m h GLY 46 N 0.56 0.17 0.66 0.83 0.00 -1.73 0.46 103.07 104.02 1k9m h GLY 46 Ca 0.03 -0.05 -0.26 0.00 0.00 0.00 0.00 47.33 47.05 1k9m h GLY 46 CO 0.02 0.04 -1.29 -0.09 0.00 0.00 0.00 176.54 175.21 1k9m h ARG 47 N 0.13 0.29 -0.15 4.80 2.43 -1.85 -3.07 114.38 116.96 1k9m h ARG 47 Ca 0.18 -0.49 0.03 0.00 -0.81 0.00 0.00 59.98 58.89 1k9m h ARG 47 Cb 0.54 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 1k9m h ARG 47 CO -0.02 1.23 -0.02 0.82 -1.51 0.00 0.00 179.97 180.48 1k9m h ILE 48 N -0.27 0.88 -0.50 1.20 2.04 -1.50 -0.53 117.51 118.83 1k9m h ILE 48 Ca -0.26 -0.01 0.14 0.00 1.00 0.00 0.00 64.86 65.72 1k9m h ILE 48 Cb 1.78 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 1k9m h ILE 48 CO 0.10 0.00 0.36 -0.08 0.00 0.00 0.00 178.15 178.53 1k9m h GLU 49 N 0.03 0.06 0.00 2.37 4.57 -1.04 -0.02 114.58 120.54 1k9m h GLU 49 Ca 0.07 -0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.12 1k9m h GLU 49 Cb 0.09 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1k9m h GLU 49 CO -0.13 0.04 -0.76 -0.09 -1.18 0.00 0.00 179.01 176.89 1k9m h ARG 50 N 0.06 0.00 0.00 1.92 2.43 -1.01 -3.38 114.38 114.40 1k9m h ARG 50 Ca 0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1k9m h ARG 50 Cb 0.88 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1k9m h ARG 50 CO -0.02 0.50 0.00 0.66 -1.51 0.00 0.00 179.97 179.60 1k9m n TYR 51 N -3.16 0.00 -2.76 2.20 4.02 -0.84 -5.05 117.16 111.58 1k9m n TYR 51 Ca -0.01 -0.17 -0.22 0.00 -0.01 0.00 0.00 57.90 57.49 1k9m n TYR 51 Cb 0.78 -0.02 0.03 0.00 -0.02 0.00 0.00 39.34 40.11 1k9m n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1k9m s ALA 52 N -0.34 3.79 -0.09 -0.72 0.00 -0.06 -5.07 121.76 119.26 1k9m s ALA 52 Ca 0.00 -1.17 -0.10 0.00 0.00 0.00 0.00 51.96 50.69 1k9m s ALA 52 Cb 0.00 -2.14 0.03 0.00 0.00 0.00 0.00 23.12 21.00 1k9m s ALA 52 CO 0.00 -0.62 0.28 1.14 0.00 0.00 0.00 175.76 176.56 1k9m s GLN 53 N -4.70 0.37 0.59 0.00 -2.07 -1.26 -4.99 119.66 107.60 1k9m s GLN 53 Ca 0.54 0.29 -0.18 0.00 -1.82 0.00 0.00 55.36 54.19 1k9m s GLN 53 Cb -0.10 0.18 -0.06 0.00 -1.09 0.00 0.00 33.01 31.93 1k9m s GLN 53 CO 0.39 -0.06 0.79 0.39 -1.32 0.00 0.00 175.29 175.48 1k9m n GLU 54 N 2.69 0.74 -0.87 9.60 1.02 -1.26 -2.37 120.64 130.19 1k9m n GLU 54 Ca -0.14 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1k9m n GLU 54 Cb 0.58 -1.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1k9m n GLU 54 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1k9m n ASP 55 N -0.28 -2.47 -4.01 1.62 8.00 -1.26 -4.94 116.55 113.21 1k9m n ASP 55 Ca 0.13 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.32 1k9m n ASP 55 Cb 0.47 -1.79 -0.15 0.00 -0.02 0.00 0.00 41.12 39.63 1k9m n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1k9m s GLU 56 N -0.84 1.77 0.06 -1.24 2.12 -1.00 -4.96 118.70 114.60 1k9m s GLU 56 Ca 0.00 -1.42 -0.30 0.00 0.36 0.00 0.00 54.97 53.61 1k9m s GLU 56 Cb 0.00 -2.87 -0.09 0.00 0.26 0.00 0.00 34.13 31.43 1k9m s GLU 56 CO 0.00 -0.72 1.94 0.99 -0.54 0.00 0.00 175.26 176.93 1k9m s THR 57 N 1.13 2.90 0.01 -1.70 2.01 -0.86 -4.58 115.64 114.56 1k9m s THR 57 Ca -0.01 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 1k9m s THR 57 Cb -0.19 -3.01 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 1k9m s THR 57 CO -0.07 -0.00 0.98 -0.69 -0.69 0.00 0.00 174.62 174.15 1k9m s VAL 58 N 4.07 4.82 -0.23 3.82 1.01 0.24 -0.92 120.40 133.22 1k9m s VAL 58 Ca 0.87 2.05 0.00 0.00 0.00 0.00 0.00 61.98 64.90 1k9m s VAL 58 Cb -0.44 -4.32 0.03 0.00 0.00 0.00 0.00 36.38 31.66 1k9m s VAL 58 CO 0.40 0.18 -0.11 -0.69 0.00 0.00 0.00 175.10 174.88 1k9m s VAL 59 N 0.90 2.50 -0.42 2.92 1.01 0.97 0.59 120.40 128.87 1k9m s VAL 59 Ca 0.52 -1.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 1k9m s VAL 59 Cb -0.21 -2.23 0.05 0.00 0.00 0.00 0.00 36.38 33.99 1k9m s VAL 59 CO 0.28 0.28 0.28 -0.69 0.00 0.00 0.00 175.10 175.25 1k9m s VAL 60 N 1.28 4.69 0.00 2.92 1.01 -0.06 -1.63 120.40 128.61 1k9m s VAL 60 Ca 0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 1k9m s VAL 60 Cb -0.16 -3.74 -0.16 0.00 0.00 0.00 0.00 36.38 32.32 1k9m s VAL 60 CO -0.07 -0.41 2.44 -0.81 0.00 0.00 0.00 175.10 176.24 1k9m n PRO 61 N 5.04 1.25 0.00 2.72 -0.04 -1.26 -3.69 135.00 139.02 1k9m n PRO 61 Ca -0.11 -0.59 0.00 0.00 -0.04 0.00 0.00 63.50 62.76 1k9m n PRO 61 Cb 0.44 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 1k9m n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k9m n GLY 62 N 2.55 0.91 3.22 0.55 0.00 -1.26 -2.80 105.19 108.36 1k9m n GLY 62 Ca 0.25 0.29 -0.20 0.00 0.00 0.00 0.00 46.02 46.37 1k9m n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1k9m s LYS 63 N 3.95 0.96 -0.17 1.61 2.20 -0.29 -1.05 119.74 126.95 1k9m s LYS 63 Ca 0.00 -1.10 -0.05 0.00 -0.36 0.00 0.00 55.97 54.46 1k9m s LYS 63 Cb 0.00 -0.98 -0.03 0.00 -1.51 0.00 0.00 37.83 35.30 1k9m s LYS 63 CO 0.00 0.21 -0.00 0.08 -0.36 0.00 0.00 175.35 175.28 1k9m s VAL 64 N -1.53 4.18 0.11 4.02 1.01 0.05 -1.08 120.40 127.15 1k9m s VAL 64 Ca 0.04 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.82 1k9m s VAL 64 Cb -0.08 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1k9m s VAL 64 CO 0.03 0.48 -0.03 -0.76 0.00 0.00 0.00 175.10 174.82 1k9m s LEU 65 N 0.41 3.31 0.00 3.92 1.43 0.81 -1.90 118.68 126.66 1k9m s LEU 65 Ca -0.02 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1k9m s LEU 65 Cb -0.14 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.04 1k9m s LEU 65 CO 0.02 0.16 0.91 0.61 0.23 0.00 0.00 176.35 178.28 1k9m n GLY 66 N 0.51 1.83 3.85 -3.19 0.00 -1.26 -2.38 105.19 104.54 1k9m n GLY 66 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 1k9m n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k9m s SER 67 N 0.97 6.73 0.00 1.61 0.01 -1.26 -4.82 113.70 116.94 1k9m s SER 67 Ca 0.00 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.15 1k9m s SER 67 Cb 0.00 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 64.01 1k9m s SER 67 CO 0.00 0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.49 1k9m n GLY 68 N 1.27 -2.31 3.23 3.44 0.00 -1.26 -1.03 105.19 108.53 1k9m n GLY 68 Ca -0.10 -1.73 -0.28 0.00 0.00 0.00 0.00 46.02 43.91 1k9m n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k9m s VAL 69 N -0.30 1.68 -0.16 1.61 1.01 -1.26 -4.71 120.40 118.26 1k9m s VAL 69 Ca 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1k9m s VAL 69 Cb 0.00 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 35.00 1k9m s VAL 69 CO 0.00 0.48 -0.17 -0.22 0.00 0.00 0.00 175.10 175.19 1k9m s LEU 70 N -0.46 1.91 -0.13 3.92 2.96 -1.26 -4.46 118.68 121.16 1k9m s LEU 70 Ca 0.07 -0.57 0.05 0.00 -0.22 0.00 0.00 54.13 53.46 1k9m s LEU 70 Cb -0.09 -1.33 -0.11 0.00 0.50 0.00 0.00 46.19 45.16 1k9m s LEU 70 CO -0.01 -0.03 -0.07 0.00 -1.32 0.00 0.00 176.35 174.93 1k9m n GLN 71 N 4.70 1.04 -1.65 1.98 6.02 -1.26 -4.84 117.38 123.37 1k9m n GLN 71 Ca -0.19 0.05 -0.40 0.00 -0.01 0.00 0.00 57.00 56.45 1k9m n GLN 71 Cb 0.50 -1.29 0.02 0.00 1.02 0.00 0.00 30.24 30.49 1k9m n GLN 71 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1k9m n LYS 72 N -2.73 1.47 -2.96 -1.09 5.02 -1.26 -4.88 118.16 111.72 1k9m n LYS 72 Ca -0.23 0.53 -0.44 0.00 -2.02 0.00 0.00 58.31 56.15 1k9m n LYS 72 Cb 0.81 -2.20 -0.01 0.00 -0.02 0.00 0.00 35.03 33.61 1k9m n LYS 72 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1k9m s ASP 73 N -0.78 6.96 0.25 4.39 2.15 -1.26 -4.55 116.67 123.84 1k9m s ASP 73 Ca 0.65 -2.77 0.11 0.00 0.43 0.00 0.00 52.55 50.97 1k9m s ASP 73 Cb -0.51 -2.39 -0.05 0.00 -0.30 0.00 0.00 42.92 39.68 1k9m s ASP 73 CO 0.55 -0.81 -0.17 0.68 -0.17 0.00 0.00 175.17 175.25 1k9m s VAL 74 N 1.72 2.64 -0.27 1.11 -7.23 -1.26 -4.56 120.40 112.56 1k9m s VAL 74 Ca 0.39 -2.19 -0.11 0.00 -1.81 0.00 0.00 61.98 58.27 1k9m s VAL 74 Cb -0.04 -2.36 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 1k9m s VAL 74 CO -0.03 -0.30 0.18 -0.89 -0.31 0.00 0.00 175.10 173.75 1k9m s THR 75 N -2.21 5.32 -0.16 5.32 2.01 -1.26 -2.09 115.64 122.57 1k9m s THR 75 Ca 0.27 0.18 -0.02 0.00 0.31 0.00 0.00 61.69 62.43 1k9m s THR 75 Cb -0.06 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 1k9m s THR 75 CO 0.14 0.28 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.58 1k9m s VAL 76 N 1.55 3.32 -0.26 3.82 1.01 -0.36 -0.59 120.40 128.89 1k9m s VAL 76 Ca 0.07 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 1k9m s VAL 76 Cb -0.15 -2.45 0.04 0.00 0.00 0.00 0.00 36.38 33.82 1k9m s VAL 76 CO 0.09 0.49 -0.06 0.00 0.00 0.00 0.00 175.10 175.62 1k9m s ALA 77 N 0.70 2.70 0.32 5.51 0.00 0.20 -0.84 121.76 130.34 1k9m s ALA 77 Ca -0.04 -1.57 0.03 0.00 0.00 0.00 0.00 51.96 50.38 1k9m s ALA 77 Cb -0.15 -1.73 -0.06 0.00 0.00 0.00 0.00 23.12 21.19 1k9m s ALA 77 CO 0.02 -0.97 0.07 0.00 0.00 0.00 0.00 175.76 174.88 1k9m s ALA 78 N 1.27 2.29 0.12 0.00 0.00 -1.08 -0.88 121.76 123.48 1k9m s ALA 78 Ca -0.02 -1.97 -0.15 0.00 0.00 0.00 0.00 51.96 49.82 1k9m s ALA 78 Cb -0.18 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 1k9m s ALA 78 CO -0.04 -0.34 1.53 0.28 0.00 0.00 0.00 175.76 177.19 1k9m h VAL 79 N 2.14 1.27 -3.01 0.00 2.07 -1.17 -2.77 116.25 114.78 1k9m h VAL 79 Ca -0.40 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1k9m h VAL 79 Cb 1.25 1.24 -0.10 0.00 -1.52 0.00 0.00 31.29 32.15 1k9m h VAL 79 CO 0.67 0.37 0.21 -0.62 0.02 0.00 0.00 177.57 178.22 1k9m s ASP 80 N -6.27 -0.49 -0.02 0.57 2.15 -1.18 -4.81 116.67 106.62 1k9m s ASP 80 Ca -0.13 -0.15 0.02 0.00 0.43 0.00 0.00 52.55 52.72 1k9m s ASP 80 Cb 0.10 0.63 -0.00 0.00 -0.30 0.00 0.00 42.92 43.34 1k9m s ASP 80 CO 0.80 -1.06 -0.08 -0.36 -0.17 0.00 0.00 175.17 174.30 1k9m s PHE 81 N -3.79 0.80 0.95 -5.34 0.40 -1.26 -0.77 117.98 108.97 1k9m s PHE 81 Ca 0.03 -0.17 -0.11 0.00 -0.60 0.00 0.00 56.93 56.08 1k9m s PHE 81 Cb -0.02 -0.55 0.17 0.00 0.51 0.00 0.00 43.02 43.12 1k9m s PHE 81 CO -0.08 -0.06 1.11 -1.54 0.70 0.00 0.00 175.22 175.35 1k9m s SER 82 N 0.04 2.68 0.36 1.36 1.04 -0.80 -4.73 113.70 113.65 1k9m s SER 82 Ca -0.00 1.96 0.05 0.00 0.48 0.00 0.00 55.95 58.44 1k9m s SER 82 Cb -0.06 -2.48 0.68 0.00 0.10 0.00 0.00 66.02 64.26 1k9m s SER 82 CO -0.00 -3.21 1.94 1.23 0.98 0.00 0.00 173.24 174.18 1k9m h GLY 83 N -1.94 0.59 0.98 7.32 0.00 -2.00 -2.19 103.07 105.83 1k9m h GLY 83 Ca -0.48 -0.30 -0.12 0.00 0.00 0.00 0.00 47.33 46.43 1k9m h GLY 83 CO 0.45 0.28 -0.29 -0.84 0.00 0.00 0.00 176.54 176.14 1k9m h THR 84 N 0.55 1.30 0.06 4.70 2.02 -1.96 -2.80 112.91 116.78 1k9m h THR 84 Ca 0.13 -1.46 0.02 0.00 0.77 0.00 0.00 66.41 65.87 1k9m h THR 84 Cb 0.18 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 1k9m h THR 84 CO -0.01 0.47 -0.16 0.00 0.37 0.00 0.00 175.52 176.19 1k9m h ALA 85 N 0.71 -0.24 0.00 6.16 0.00 -1.79 -0.38 119.26 123.72 1k9m h ALA 85 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1k9m h ALA 85 Cb 0.87 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1k9m h ALA 85 CO 0.07 -0.67 -0.05 1.49 0.00 0.00 0.00 179.25 180.09 1k9m h GLU 86 N -0.30 0.00 0.07 0.00 4.81 -1.45 -1.17 114.58 116.54 1k9m h GLU 86 Ca 0.04 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 1k9m h GLU 86 Cb 0.34 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.73 1k9m h GLU 86 CO -0.12 0.05 -0.46 1.15 -0.73 0.00 0.00 179.01 178.90 1k9m h THR 87 N 0.00 1.60 -0.53 0.32 2.02 -0.96 -2.89 112.91 112.47 1k9m h THR 87 Ca -0.00 -2.37 -0.07 0.00 0.77 0.00 0.00 66.41 64.74 1k9m h THR 87 Cb 0.14 3.17 -0.02 0.00 -1.74 0.00 0.00 68.15 69.69 1k9m h THR 87 CO 0.01 0.65 0.03 0.11 0.37 0.00 0.00 175.52 176.69 1k9m h LYS 88 N -0.57 0.88 -0.16 6.66 1.57 -0.82 -3.12 116.57 121.01 1k9m h LYS 88 Ca -0.08 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 1k9m h LYS 88 Cb 1.33 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 1k9m h LYS 88 CO 0.09 0.86 -0.05 0.82 -0.57 0.00 0.00 179.45 180.59 1k9m h ILE 89 N 0.83 1.30 0.00 1.86 2.04 -1.32 -3.00 117.51 119.22 1k9m h ILE 89 Ca 0.16 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1k9m h ILE 89 Cb 0.44 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1k9m h ILE 89 CO 0.02 0.31 0.00 0.47 0.00 0.00 0.00 178.15 178.95 1k9m n ASP 90 N -4.67 0.11 0.08 1.72 8.00 -1.09 0.11 116.55 120.82 1k9m n ASP 90 Ca -0.06 0.54 -0.09 0.00 0.71 0.00 0.00 54.79 55.90 1k9m n ASP 90 Cb 0.28 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 40.77 1k9m n ASP 90 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1k9m h GLN 91 N 0.00 0.14 0.00 -1.24 4.20 -1.47 -3.37 115.11 113.37 1k9m h GLN 91 Ca 0.00 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1k9m h GLN 91 Cb 0.09 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1k9m h GLN 91 CO 0.00 0.98 -0.34 1.33 -0.67 0.00 0.00 178.83 180.13 1k9m n VAL 92 N -3.57 0.00 0.00 -0.54 0.24 -0.49 -5.09 118.33 108.88 1k9m n VAL 92 Ca -0.03 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 1k9m n VAL 92 Cb 0.86 0.82 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 1k9m n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k9m n GLY 93 N 1.46 4.03 3.17 7.63 0.00 0.30 -3.99 105.19 117.79 1k9m n GLY 93 Ca 0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 1k9m n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k9m s GLU 94 N 4.22 0.29 -0.03 1.61 2.12 -0.89 -4.32 118.70 121.71 1k9m s GLU 94 Ca 0.00 0.75 -0.19 0.00 0.36 0.00 0.00 54.97 55.89 1k9m s GLU 94 Cb 0.00 0.00 -0.05 0.00 0.26 0.00 0.00 34.13 34.34 1k9m s GLU 94 CO 0.00 -0.19 0.54 0.00 -0.54 0.00 0.00 175.26 175.06 1k9m s ALA 95 N 1.70 3.52 0.00 6.30 0.00 -1.26 -1.23 121.76 130.79 1k9m s ALA 95 Ca -0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.83 1k9m s ALA 95 Cb -0.10 -2.66 -0.00 0.00 0.00 0.00 0.00 23.12 20.35 1k9m s ALA 95 CO -0.11 0.18 0.01 0.08 0.00 0.00 0.00 175.76 175.92 1k9m s VAL 96 N -0.15 0.03 0.38 0.00 1.01 -0.02 -4.93 120.40 116.72 1k9m s VAL 96 Ca 0.29 -0.28 -0.24 0.00 0.00 0.00 0.00 61.98 61.74 1k9m s VAL 96 Cb -0.17 -0.11 -0.09 0.00 0.00 0.00 0.00 36.38 36.01 1k9m s VAL 96 CO 0.15 -0.16 1.02 -0.94 0.00 0.00 0.00 175.10 175.18 1k9m s SER 97 N -0.46 6.91 0.61 3.32 1.04 -1.26 -2.64 113.70 121.22 1k9m s SER 97 Ca -0.05 1.99 0.32 0.00 0.48 0.00 0.00 55.95 58.69 1k9m s SER 97 Cb -0.03 -2.58 1.82 0.00 0.10 0.00 0.00 66.02 65.32 1k9m s SER 97 CO -0.00 -0.38 2.15 0.25 0.98 0.00 0.00 173.24 176.24 1k9m h LEU 98 N 2.66 0.00 -0.68 2.42 5.85 -1.79 0.16 115.31 123.92 1k9m h LEU 98 Ca -0.48 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.14 1k9m h LEU 98 Cb 1.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1k9m h LEU 98 CO 0.63 0.00 -0.50 -0.33 -0.34 0.00 0.00 178.44 177.90 1k9m h GLU 99 N 0.00 0.00 0.14 1.25 3.07 -1.91 -1.81 114.58 115.33 1k9m h GLU 99 Ca 0.05 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.61 1k9m h GLU 99 Cb 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1k9m h GLU 99 CO -0.00 0.50 -1.46 1.96 -1.40 0.00 0.00 179.01 178.61 1k9m h GLN 100 N 0.00 0.29 0.18 2.33 4.20 -1.11 -3.20 115.11 117.80 1k9m h GLN 100 Ca -0.00 -0.50 -0.00 0.00 0.06 0.00 0.00 58.65 58.21 1k9m h GLN 100 Cb 1.09 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 1k9m h GLN 100 CO 0.06 1.18 -0.13 0.00 -0.67 0.00 0.00 178.83 179.28 1k9m h ALA 101 N 0.47 -0.30 -0.95 3.87 0.00 -1.08 -0.12 119.26 121.14 1k9m h ALA 101 Ca -0.22 -0.05 0.23 0.00 0.00 0.00 0.00 54.91 54.87 1k9m h ALA 101 Cb 2.02 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 19.91 1k9m h ALA 101 CO 0.19 -0.68 0.64 0.82 0.00 0.00 0.00 179.25 180.21 1k9m h ILE 102 N -0.31 0.61 0.13 0.00 2.04 -1.43 -0.95 117.51 117.59 1k9m h ILE 102 Ca -0.01 -0.11 -0.19 0.00 1.00 0.00 0.00 64.86 65.55 1k9m h ILE 102 Cb 0.27 0.25 0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1k9m h ILE 102 CO 0.00 0.06 -0.81 -0.08 0.00 0.00 0.00 178.15 177.32 1k9m h GLU 103 N 0.32 0.31 0.00 2.37 4.81 -1.24 -2.53 114.58 118.63 1k9m h GLU 103 Ca 0.50 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1k9m h GLU 103 Cb 1.39 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.96 1k9m h GLU 103 CO -0.17 1.24 0.00 0.09 -0.73 0.00 0.00 179.01 179.43 1k9m n ASN 104 N -4.12 0.00 -2.76 1.04 3.02 -0.17 -4.31 115.26 107.95 1k9m n ASN 104 Ca -0.14 0.05 -0.09 0.00 -0.03 0.00 0.00 54.58 54.38 1k9m n ASN 104 Cb 0.82 -0.35 0.06 0.00 -0.61 0.00 0.00 39.78 39.70 1k9m n ASN 104 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1k9m n ASN 105 N -1.35 -2.63 0.08 6.41 5.15 -0.40 -4.99 115.26 117.53 1k9m n ASN 105 Ca 0.12 -3.40 0.08 0.00 -0.60 0.00 0.00 54.58 50.78 1k9m n ASN 105 Cb 0.25 1.77 0.36 0.00 -0.53 0.00 0.00 39.78 41.64 1k9m n ASN 105 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1k9m n PRO 106 N 1.28 0.09 0.00 1.20 -0.04 -0.95 -1.33 135.00 135.25 1k9m n PRO 106 Ca 0.09 0.47 0.14 0.00 -0.04 0.00 0.00 63.50 64.16 1k9m n PRO 106 Cb 0.65 -1.73 0.52 0.00 -0.04 0.00 0.00 33.50 32.90 1k9m n PRO 106 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1k9m n GLU 107 N -1.91 1.31 -3.87 0.54 4.71 -1.26 -3.87 120.64 116.29 1k9m n GLU 107 Ca 0.01 -0.71 -0.34 0.00 -0.01 0.00 0.00 57.16 56.11 1k9m n GLU 107 Cb 0.10 -1.49 0.01 0.00 -1.01 0.00 0.00 31.44 29.06 1k9m n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1k9m n GLY 108 N 1.22 -1.07 3.55 0.62 0.00 -0.44 -3.78 105.19 105.29 1k9m n GLY 108 Ca 0.17 0.47 -0.29 0.00 0.00 0.00 0.00 46.02 46.36 1k9m n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k9m s SER 109 N -3.28 4.25 -1.20 1.61 1.04 -1.26 -4.70 113.70 110.17 1k9m s SER 109 Ca 0.27 -0.44 -0.06 0.00 0.48 0.00 0.00 55.95 56.19 1k9m s SER 109 Cb -0.14 -0.75 -0.02 0.00 0.10 0.00 0.00 66.02 65.21 1k9m s SER 109 CO 0.92 0.17 0.79 1.41 0.98 0.00 0.00 173.24 177.51 1k9m n HIS 110 N 0.69 -2.05 -4.44 5.02 8.25 -1.26 -4.86 115.22 116.57 1k9m n HIS 110 Ca -0.14 0.76 -0.23 0.00 -0.26 0.00 0.00 57.72 57.85 1k9m n HIS 110 Cb 0.53 -4.16 -0.13 0.00 1.12 0.00 0.00 29.99 27.35 1k9m n HIS 110 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1k9m s VAL 111 N -3.54 1.51 -0.10 1.59 0.11 -1.26 -2.03 120.40 116.68 1k9m s VAL 111 Ca 0.21 -1.26 0.02 0.00 -2.93 0.00 0.00 61.98 58.03 1k9m s VAL 111 Cb -0.05 -1.35 0.01 0.00 -1.53 0.00 0.00 36.38 33.46 1k9m s VAL 111 CO 0.80 0.05 -0.15 -0.60 -3.33 0.00 0.00 175.10 171.87 1k9m s ARG 112 N -1.41 2.17 -0.13 1.54 6.06 -0.10 -4.93 118.95 122.14 1k9m s ARG 112 Ca 0.05 -0.55 -0.22 0.00 -2.50 0.00 0.00 55.73 52.51 1k9m s ARG 112 Cb -0.09 -1.85 -0.03 0.00 0.06 0.00 0.00 34.95 33.05 1k9m s ARG 112 CO 0.02 -0.05 0.68 0.08 -2.50 0.00 0.00 175.30 173.53 1k9m s VAL 113 N 0.96 5.02 -0.05 7.11 1.01 -1.26 -0.02 120.40 133.17 1k9m s VAL 113 Ca -0.07 1.34 0.04 0.00 0.00 0.00 0.00 61.98 63.29 1k9m s VAL 113 Cb -0.15 -4.00 -0.00 0.00 0.00 0.00 0.00 36.38 32.23 1k9m s VAL 113 CO -0.01 0.17 -0.17 -0.63 0.00 0.00 0.00 175.10 174.46 1k9m s ILE 114 N 1.40 1.48 0.00 2.22 -1.09 -0.65 -4.93 121.20 119.63 1k9m s ILE 114 Ca 0.34 -0.73 0.00 0.00 -2.23 0.00 0.00 60.65 58.03 1k9m s ILE 114 Cb -0.17 -1.28 0.00 0.00 -1.58 0.00 0.00 42.46 39.44 1k9m s ILE 114 CO 0.14 0.43 0.02 -2.11 -1.23 0.00 0.00 174.94 172.18