#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmq s THR 6 N 0.00 2.88 0.22 3.45 -4.23 -1.26 -4.76 115.64 111.95 1xmq s THR 6 Ca 0.00 0.29 -0.08 0.00 -1.18 0.00 0.00 61.69 60.71 1xmq s THR 6 Cb 0.00 -2.66 0.19 0.00 1.34 0.00 0.00 72.50 71.38 1xmq s THR 6 CO 0.00 -0.37 1.88 0.40 -0.54 0.00 0.00 174.62 175.99 1xmq h ILE 7 N -1.43 1.23 -0.59 2.99 1.08 -2.05 0.22 117.51 118.96 1xmq h ILE 7 Ca -0.45 -0.47 0.03 0.00 -0.39 0.00 0.00 64.86 63.58 1xmq h ILE 7 Cb 1.25 0.01 -0.04 0.00 -3.07 0.00 0.00 36.82 34.97 1xmq h ILE 7 CO 0.50 0.23 0.36 -1.13 -0.69 0.00 0.00 178.15 177.42 1xmq h ASN 8 N 1.16 0.58 -0.53 1.72 -1.24 -1.98 0.40 115.58 115.69 1xmq h ASN 8 Ca 0.31 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.32 1xmq h ASN 8 Cb -0.08 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 38.82 1xmq h ASN 8 CO -0.06 0.41 0.33 1.56 -1.29 0.00 0.00 177.43 178.37 1xmq h GLN 9 N 0.71 0.72 -0.78 6.67 4.20 -1.73 0.59 115.11 125.50 1xmq h GLN 9 Ca 0.24 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.92 1xmq h GLN 9 Cb 0.03 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 1xmq h GLN 9 CO -0.10 0.52 0.51 -0.07 -0.67 0.00 0.00 178.83 179.02 1xmq h LEU 10 N 0.72 0.83 -0.82 1.46 3.38 0.13 0.11 115.31 121.11 1xmq h LEU 10 Ca 0.19 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 1xmq h LEU 10 Cb -0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1xmq h LEU 10 CO -0.04 0.57 -0.22 0.58 0.09 0.00 0.00 178.44 179.43 1xmq h VAL 11 N 0.96 0.47 0.07 1.22 2.07 0.93 0.50 116.25 122.47 1xmq h VAL 11 Ca 0.31 -1.23 -0.32 0.00 0.82 0.00 0.00 66.70 66.29 1xmq h VAL 11 Cb 0.03 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1xmq h VAL 11 CO -0.09 0.21 -1.74 0.03 0.02 0.00 0.00 177.57 176.01 1xmq h ARG 12 N 0.00 0.14 0.00 1.57 3.08 0.94 -3.42 114.38 116.69 1xmq h ARG 12 Ca -0.00 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 1xmq h ARG 12 Cb 0.86 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 1xmq h ARG 12 CO 0.03 0.88 -1.09 1.63 -1.07 0.00 0.00 179.97 180.35 1xmq n LYS 13 N -3.29 3.14 -0.47 0.04 5.02 0.20 -5.09 118.16 117.72 1xmq n LYS 13 Ca -0.21 -0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.14 1xmq n LYS 13 Cb 1.05 -1.03 -0.02 0.00 -0.02 0.00 0.00 35.03 35.00 1xmq n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xmq n GLY 14 N 2.83 -1.68 3.73 0.72 0.00 0.17 -4.78 105.19 106.18 1xmq n GLY 14 Ca -0.02 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 1xmq n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xmq s ARG 15 N -0.89 3.54 0.01 1.61 1.81 -1.26 -4.92 118.95 118.85 1xmq s ARG 15 Ca 0.00 -0.29 -0.30 0.00 -1.72 0.00 0.00 55.73 53.42 1xmq s ARG 15 Cb 0.00 -3.10 -0.05 0.00 -0.45 0.00 0.00 34.95 31.35 1xmq s ARG 15 CO 0.00 0.55 1.26 -2.00 -0.68 0.00 0.00 175.30 174.44 1xmq s GLU 16 N -0.42 4.36 -0.30 3.54 2.12 -1.26 -4.98 118.70 121.75 1xmq s GLU 16 Ca 0.10 1.81 -0.26 0.00 0.36 0.00 0.00 54.97 56.98 1xmq s GLU 16 Cb -0.12 -3.48 0.01 0.00 0.26 0.00 0.00 34.13 30.80 1xmq s GLU 16 CO 0.02 -0.42 0.90 0.15 -0.54 0.00 0.00 175.26 175.37 1xmq s LYS 17 N 1.83 4.04 0.01 4.30 1.02 -1.26 -5.00 119.74 124.68 1xmq s LYS 17 Ca 0.59 0.84 -0.30 0.00 0.02 0.00 0.00 55.97 57.12 1xmq s LYS 17 Cb -0.29 -3.72 -0.06 0.00 -0.52 0.00 0.00 37.83 33.25 1xmq s LYS 17 CO 0.26 -0.73 1.43 0.08 -0.92 0.00 0.00 175.35 175.47 1xmq s VAL 18 N 3.18 3.63 0.25 3.17 1.01 -1.26 -5.01 120.40 125.38 1xmq s VAL 18 Ca 0.38 1.02 -0.09 0.00 0.00 0.00 0.00 61.98 63.29 1xmq s VAL 18 Cb -0.14 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 1xmq s VAL 18 CO 0.12 -0.00 0.57 -0.13 0.00 0.00 0.00 175.10 175.66 1xmq s ARG 19 N 2.46 3.78 0.20 2.72 0.52 -1.26 -5.09 118.95 122.28 1xmq s ARG 19 Ca 0.65 0.25 -0.05 0.00 -0.52 0.00 0.00 55.73 56.06 1xmq s ARG 19 Cb -0.32 -2.63 -0.06 0.00 0.52 0.00 0.00 34.95 32.47 1xmq s ARG 19 CO 0.27 0.27 0.44 0.15 0.02 0.00 0.00 175.30 176.46 1xmq s LYS 20 N -3.01 3.64 -0.19 3.54 1.02 -1.26 -5.09 119.74 118.39 1xmq s LYS 20 Ca 0.47 -0.04 0.01 0.00 0.02 0.00 0.00 55.97 56.43 1xmq s LYS 20 Cb -0.11 -2.77 0.04 0.00 -0.52 0.00 0.00 37.83 34.47 1xmq s LYS 20 CO 0.23 0.38 -0.12 0.15 -0.92 0.00 0.00 175.35 175.07 1xmq s LYS 21 N -2.96 2.23 0.53 1.68 1.02 -1.26 -5.12 119.74 115.85 1xmq s LYS 21 Ca 0.42 -0.81 -0.20 0.00 0.02 0.00 0.00 55.97 55.40 1xmq s LYS 21 Cb -0.11 -2.40 -0.08 0.00 -0.52 0.00 0.00 37.83 34.71 1xmq s LYS 21 CO 0.26 -0.37 0.79 0.45 -0.92 0.00 0.00 175.35 175.56 1xmq n SER 22 N 4.68 0.15 -0.79 2.83 2.88 -1.26 -4.92 113.62 117.18 1xmq n SER 22 Ca -0.16 0.85 0.08 0.00 -1.33 0.00 0.00 58.87 58.31 1xmq n SER 22 Cb 0.47 -1.28 0.17 0.00 -0.75 0.00 0.00 64.21 62.82 1xmq n SER 22 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1xmq n LYS 23 N -0.24 2.36 -3.09 -1.46 5.02 -1.26 -4.71 118.16 114.78 1xmq n LYS 23 Ca 0.12 -2.02 -0.19 0.00 -2.02 0.00 0.00 58.31 54.20 1xmq n LYS 23 Cb 0.44 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 34.08 1xmq n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xmq n VAL 24 N 0.86 -0.46 -0.59 -0.18 0.31 -1.26 -4.93 118.33 112.08 1xmq n VAL 24 Ca 0.14 -3.51 -0.23 0.00 -0.01 0.00 0.00 64.34 60.73 1xmq n VAL 24 Cb 0.46 -0.92 -0.03 0.00 -0.91 0.00 0.00 33.84 32.44 1xmq n VAL 24 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1xmq n PRO 25 N 1.25 1.17 -0.13 5.55 -0.02 -1.26 -4.12 135.00 137.43 1xmq n PRO 25 Ca 0.19 -1.22 0.02 0.00 -2.02 0.00 0.00 63.50 60.46 1xmq n PRO 25 Cb 0.57 -2.43 0.07 0.00 -0.02 0.00 0.00 33.50 31.70 1xmq n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xmq n ALA 26 N 5.61 2.66 -0.57 3.55 0.00 -1.26 -4.97 120.51 125.52 1xmq n ALA 26 Ca 0.34 -0.31 0.04 0.00 0.00 0.00 0.00 53.44 53.51 1xmq n ALA 26 Cb 0.18 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.60 1xmq n ALA 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xmq n LEU 27 N 0.04 -0.19 -0.31 0.00 7.94 -1.26 -4.29 117.00 118.93 1xmq n LEU 27 Ca 0.05 0.43 -0.00 0.00 -1.11 0.00 0.00 56.01 55.38 1xmq n LEU 27 Cb 0.32 -1.92 -0.00 0.00 0.53 0.00 0.00 43.42 42.35 1xmq n LEU 27 CO 0.05 -0.80 -0.00 1.17 -1.11 0.00 0.00 177.39 176.70 1xmq n LYS 28 N -2.08 -1.70 -4.48 1.96 4.81 -1.26 -1.16 118.16 114.24 1xmq n LYS 28 Ca -0.00 0.02 -0.41 0.00 -0.87 0.00 0.00 58.31 57.05 1xmq n LYS 28 Cb 0.54 -3.03 -0.07 0.00 0.02 0.00 0.00 35.03 32.49 1xmq n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xmq n GLY 29 N 0.02 -0.39 3.84 3.14 0.00 -1.26 -4.88 105.19 105.66 1xmq n GLY 29 Ca -0.00 0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1xmq n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmq s ALA 30 N -3.34 2.08 -0.25 4.61 0.00 -0.31 -4.97 121.76 119.57 1xmq s ALA 30 Ca 0.76 -0.75 0.21 0.00 0.00 0.00 0.00 51.96 52.18 1xmq s ALA 30 Cb -0.44 -2.94 0.05 0.00 0.00 0.00 0.00 23.12 19.79 1xmq s ALA 30 CO 1.01 -2.22 1.15 -1.35 0.00 0.00 0.00 175.76 174.36 1xmq h PRO 31 N -1.47 0.00 -3.44 0.00 0.11 -1.91 -3.48 132.00 121.83 1xmq h PRO 31 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1xmq h PRO 31 Cb 1.31 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.29 1xmq h PRO 31 CO 0.56 0.10 -0.08 -0.06 -0.21 0.00 0.00 178.00 178.31 1xmq s PHE 32 N -3.21 -0.11 -0.03 0.65 0.08 -1.26 -4.68 117.98 109.42 1xmq s PHE 32 Ca 0.01 -0.22 -0.02 0.00 0.12 0.00 0.00 56.93 56.82 1xmq s PHE 32 Cb 0.08 0.25 0.02 0.00 -0.57 0.00 0.00 43.02 42.80 1xmq s PHE 32 CO 0.77 -0.75 0.07 0.50 -0.10 0.00 0.00 175.22 175.71 1xmq s ARG 33 N -3.84 0.05 0.27 0.44 6.06 -1.10 -4.98 118.95 115.85 1xmq s ARG 33 Ca 0.06 0.16 -0.26 0.00 -2.50 0.00 0.00 55.73 53.18 1xmq s ARG 33 Cb 0.01 -0.07 -0.09 0.00 0.06 0.00 0.00 34.95 34.86 1xmq s ARG 33 CO -0.09 -0.07 0.89 0.50 -2.50 0.00 0.00 175.30 174.03 1xmq s ARG 34 N 0.47 4.60 0.33 5.12 3.52 -1.26 0.05 118.95 131.78 1xmq s ARG 34 Ca -0.04 1.27 -0.02 0.00 -0.13 0.00 0.00 55.73 56.82 1xmq s ARG 34 Cb -0.05 -2.99 0.01 0.00 -1.56 0.00 0.00 34.95 30.35 1xmq s ARG 34 CO -0.02 0.40 0.47 0.41 -0.81 0.00 0.00 175.30 175.74 1xmq n GLY 35 N 0.95 2.15 3.10 8.12 0.00 0.34 -2.22 105.19 117.63 1xmq n GLY 35 Ca -0.01 -1.60 -0.21 0.00 0.00 0.00 0.00 46.02 44.21 1xmq n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xmq s VAL 36 N -2.79 1.04 0.12 1.61 1.01 -0.71 0.09 120.40 120.77 1xmq s VAL 36 Ca 0.27 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 1xmq s VAL 36 Cb -0.01 -0.89 -0.06 0.00 0.00 0.00 0.00 36.38 35.42 1xmq s VAL 36 CO 0.20 0.20 1.03 0.00 0.00 0.00 0.00 175.10 176.52 1xmq n THR 38 N 2.87 0.97 -3.95 0.00 -1.04 0.70 -3.10 114.28 110.72 1xmq n THR 38 Ca 0.03 -0.43 -0.09 0.00 -2.04 0.00 0.00 64.05 61.52 1xmq n THR 38 Cb 0.48 -0.97 -0.07 0.00 -1.82 0.00 0.00 70.33 67.95 1xmq n THR 38 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1xmq s VAL 39 N -2.34 0.07 -0.38 12.58 1.01 -1.23 -4.86 120.40 125.26 1xmq s VAL 39 Ca -0.18 -1.36 0.12 0.00 0.00 0.00 0.00 61.98 60.56 1xmq s VAL 39 Cb 0.05 -1.80 0.37 0.00 0.00 0.00 0.00 36.38 35.01 1xmq s VAL 39 CO 0.44 -0.32 0.91 0.52 0.00 0.00 0.00 175.10 176.65 1xmq n VAL 40 N -0.21 0.14 -0.02 2.92 0.31 -1.26 -2.20 118.33 118.01 1xmq n VAL 40 Ca -0.08 -3.38 0.00 0.00 -0.01 0.00 0.00 64.34 60.87 1xmq n VAL 40 Cb 0.63 0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.96 1xmq n VAL 40 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1xmq n ARG 41 N 0.14 -1.41 -4.04 5.55 0.63 -1.23 -4.84 116.66 111.46 1xmq n ARG 41 Ca 0.15 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.96 1xmq n ARG 41 Cb 0.72 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.51 1xmq n ARG 41 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1xmq s THR 42 N -0.82 0.33 0.06 5.15 2.01 -1.26 -3.39 115.64 117.72 1xmq s THR 42 Ca 0.00 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.35 1xmq s THR 42 Cb 0.00 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 72.10 1xmq s THR 42 CO 0.00 -0.23 -0.08 -0.69 -0.69 0.00 0.00 174.62 172.93 1xmq s VAL 43 N -0.89 0.63 -0.02 3.82 1.01 0.19 -4.93 120.40 120.22 1xmq s VAL 43 Ca -0.07 -1.40 -0.02 0.00 0.00 0.00 0.00 61.98 60.48 1xmq s VAL 43 Cb -0.07 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1xmq s VAL 43 CO -0.00 -0.55 0.15 0.42 0.00 0.00 0.00 175.10 175.12 1xmq s THR 44 N -2.18 5.24 1.13 3.92 -4.23 -1.26 0.28 115.64 118.55 1xmq s THR 44 Ca -0.02 -0.20 -0.19 0.00 -1.18 0.00 0.00 61.69 60.10 1xmq s THR 44 Cb -0.05 -3.43 0.29 0.00 1.34 0.00 0.00 72.50 70.66 1xmq s THR 44 CO -0.01 0.35 0.85 -2.65 -0.54 0.00 0.00 174.62 172.62 1xmq n PRO 45 N 1.08 -3.52 0.00 3.99 -0.02 -1.26 -4.90 135.00 130.37 1xmq n PRO 45 Ca -0.12 -1.38 0.00 0.00 -2.02 0.00 0.00 63.50 59.98 1xmq n PRO 45 Cb 0.53 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 1xmq n PRO 45 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1xmq n LYS 46 N -4.72 1.28 0.00 -0.52 2.85 -1.02 -4.89 118.16 111.13 1xmq n LYS 46 Ca 0.12 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 1xmq n LYS 46 Cb 0.50 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.88 1xmq n LYS 46 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1xmq n LYS 47 N 0.00 0.00 -0.50 -1.58 4.81 -1.26 -0.94 118.16 118.69 1xmq n LYS 47 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.50 1xmq n LYS 47 Cb 0.00 0.00 0.19 0.00 0.02 0.00 0.00 35.03 35.24 1xmq n LYS 47 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1xmq n PRO 48 N 0.00 1.58 -4.02 1.64 -0.04 -1.26 -5.04 135.00 127.86 1xmq n PRO 48 Ca 0.00 -3.12 -0.23 0.00 -0.04 0.00 0.00 63.50 60.11 1xmq n PRO 48 Cb 0.00 -1.62 -0.06 0.00 -0.04 0.00 0.00 33.50 31.78 1xmq n PRO 48 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1xmq s ASN 49 N -3.05 4.68 -0.12 3.54 0.02 -0.11 -5.14 114.94 114.76 1xmq s ASN 49 Ca 0.37 -0.84 -0.10 0.00 -1.02 0.00 0.00 52.86 51.27 1xmq s ASN 49 Cb 0.35 -0.64 0.04 0.00 0.02 0.00 0.00 41.25 41.02 1xmq s ASN 49 CO -0.04 -0.42 0.32 -0.55 0.02 0.00 0.00 177.10 176.43 1xmq s SER 50 N -3.91 -0.34 0.00 -1.22 0.15 -1.26 -4.32 113.70 102.79 1xmq s SER 50 Ca 0.40 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.71 1xmq s SER 50 Cb -0.01 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1xmq s SER 50 CO 0.24 -0.13 0.00 0.00 1.20 0.00 0.00 173.24 174.54 1xmq n ALA 51 N 3.32 0.00 -3.52 5.45 0.00 -1.26 -4.95 120.51 119.55 1xmq n ALA 51 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.92 1xmq n ALA 51 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 1xmq n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xmq n LEU 52 N 0.00 4.45 -4.72 0.00 4.77 -1.26 -4.05 117.00 116.19 1xmq n LEU 52 Ca 0.00 -5.19 -0.43 0.00 -0.03 0.00 0.00 56.01 50.36 1xmq n LEU 52 Cb 0.00 -1.06 -0.02 0.00 -2.33 0.00 0.00 43.42 40.00 1xmq n LEU 52 CO 0.00 1.65 1.25 -1.14 -1.33 0.00 0.00 177.39 177.82 1xmq n ARG 53 N 1.96 2.58 -3.23 3.23 3.00 0.14 -4.65 116.66 119.68 1xmq n ARG 53 Ca 0.24 0.92 -0.40 0.00 -0.00 0.00 0.00 57.85 58.61 1xmq n ARG 53 Cb 0.37 -2.71 -0.07 0.00 0.00 0.00 0.00 32.46 30.05 1xmq n ARG 53 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1xmq s LYS 54 N 0.20 4.15 0.35 -0.14 3.01 -1.26 0.54 119.74 126.58 1xmq s LYS 54 Ca 0.70 0.40 0.05 0.00 -1.01 0.00 0.00 55.97 56.11 1xmq s LYS 54 Cb -0.54 -3.59 -0.07 0.00 -1.01 0.00 0.00 37.83 32.62 1xmq s LYS 54 CO 0.42 -0.23 0.05 0.08 0.51 0.00 0.00 175.35 176.18 1xmq s VAL 55 N 1.90 1.38 -0.06 3.17 1.01 -1.22 -1.69 120.40 124.89 1xmq s VAL 55 Ca 0.24 -2.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.18 1xmq s VAL 55 Cb -0.15 -2.85 0.03 0.00 0.00 0.00 0.00 36.38 33.41 1xmq s VAL 55 CO 0.09 0.00 0.14 0.00 0.00 0.00 0.00 175.10 175.34 1xmq s ALA 56 N -3.16 -0.30 -0.68 5.51 0.00 0.50 -3.53 121.76 120.09 1xmq s ALA 56 Ca 0.36 0.58 -0.22 0.00 0.00 0.00 0.00 51.96 52.68 1xmq s ALA 56 Cb 0.09 -0.37 0.08 0.00 0.00 0.00 0.00 23.12 22.91 1xmq s ALA 56 CO 0.16 -0.12 0.97 0.15 0.00 0.00 0.00 175.76 176.92 1xmq s LYS 57 N 0.77 3.16 -0.12 0.00 -0.14 -0.93 0.60 119.74 123.08 1xmq s LYS 57 Ca -0.06 -0.96 -0.14 0.00 -1.36 0.00 0.00 55.97 53.45 1xmq s LYS 57 Cb -0.08 -4.31 -0.05 0.00 -1.68 0.00 0.00 37.83 31.72 1xmq s LYS 57 CO -0.04 -1.80 0.33 0.08 -0.76 0.00 0.00 175.35 173.16 1xmq s VAL 58 N 3.85 5.25 -0.54 3.17 1.01 0.44 -0.22 120.40 133.36 1xmq s VAL 58 Ca 0.23 0.63 -0.20 0.00 0.00 0.00 0.00 61.98 62.64 1xmq s VAL 58 Cb -0.16 -3.65 0.07 0.00 0.00 0.00 0.00 36.38 32.63 1xmq s VAL 58 CO 0.08 0.44 0.72 -0.60 0.00 0.00 0.00 175.10 175.74 1xmq s ARG 59 N 0.01 3.14 0.58 2.72 6.06 0.18 -0.54 118.95 131.10 1xmq s ARG 59 Ca 0.19 -0.87 -0.18 0.00 -2.50 0.00 0.00 55.73 52.37 1xmq s ARG 59 Cb -0.14 -4.14 -0.04 0.00 0.06 0.00 0.00 34.95 30.69 1xmq s ARG 59 CO 0.07 -1.38 1.13 -0.51 -2.50 0.00 0.00 175.30 172.10 1xmq s LEU 60 N 2.99 3.65 0.14 -0.88 2.01 1.12 -1.74 118.68 125.96 1xmq s LEU 60 Ca 0.17 2.14 0.27 0.00 0.01 0.00 0.00 54.13 56.72 1xmq s LEU 60 Cb -0.19 -4.57 0.94 0.00 0.01 0.00 0.00 46.19 42.37 1xmq s LEU 60 CO 0.12 -1.34 1.81 0.35 1.01 0.00 0.00 176.35 178.30 1xmq n THR 61 N -1.61 0.39 0.63 5.49 -2.24 -0.94 -2.61 114.28 113.39 1xmq n THR 61 Ca 0.11 -0.19 0.05 0.00 -2.27 0.00 0.00 64.05 61.75 1xmq n THR 61 Cb 0.51 -0.54 0.17 0.00 -2.10 0.00 0.00 70.33 68.36 1xmq n THR 61 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1xmq n SER 62 N -2.01 2.33 -0.25 3.42 3.41 -1.26 -4.86 113.62 114.40 1xmq n SER 62 Ca 0.06 -2.15 -0.02 0.00 -0.26 0.00 0.00 58.87 56.50 1xmq n SER 62 Cb 0.40 -0.36 -0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1xmq n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xmq n GLY 63 N 0.79 0.30 3.46 5.00 0.00 -1.07 -4.99 105.19 108.67 1xmq n GLY 63 Ca 0.12 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 1xmq n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xmq s TYR 64 N -2.11 2.16 -0.49 1.61 1.51 -1.23 -4.95 117.35 113.85 1xmq s TYR 64 Ca 0.00 -0.45 0.04 0.00 -1.01 0.00 0.00 57.07 55.65 1xmq s TYR 64 Cb 0.00 -1.04 0.17 0.00 -0.11 0.00 0.00 41.96 40.97 1xmq s TYR 64 CO 0.00 0.57 0.37 -1.21 -1.11 0.00 0.00 175.55 174.17 1xmq s GLU 65 N -3.58 1.31 0.39 -0.62 8.01 -1.26 0.36 118.70 123.31 1xmq s GLU 65 Ca 0.29 -2.41 0.08 0.00 0.01 0.00 0.00 54.97 52.94 1xmq s GLU 65 Cb -0.02 -1.97 -0.03 0.00 -4.31 0.00 0.00 34.13 27.81 1xmq s GLU 65 CO 0.13 -1.35 0.33 0.14 0.01 0.00 0.00 175.26 174.52 1xmq s VAL 66 N -0.30 2.92 -0.06 2.63 -7.23 0.30 -4.84 120.40 113.82 1xmq s VAL 66 Ca 0.30 -1.39 -0.03 0.00 -1.81 0.00 0.00 61.98 59.05 1xmq s VAL 66 Cb -0.00 -3.05 -0.04 0.00 0.56 0.00 0.00 36.38 33.85 1xmq s VAL 66 CO -0.18 -0.06 0.08 0.42 -0.31 0.00 0.00 175.10 175.05 1xmq s THR 67 N -2.43 4.84 0.01 5.32 -4.23 -1.26 0.17 115.64 118.06 1xmq s THR 67 Ca 0.45 -0.20 0.03 0.00 -1.18 0.00 0.00 61.69 60.78 1xmq s THR 67 Cb -0.03 -3.14 -0.01 0.00 1.34 0.00 0.00 72.50 70.65 1xmq s THR 67 CO 0.27 0.49 -0.08 0.00 -0.54 0.00 0.00 174.62 174.75 1xmq s ALA 68 N -1.07 0.67 0.48 3.99 0.00 0.20 -4.28 121.76 121.75 1xmq s ALA 68 Ca 0.18 -0.50 -0.21 0.00 0.00 0.00 0.00 51.96 51.44 1xmq s ALA 68 Cb -0.12 -0.10 -0.08 0.00 0.00 0.00 0.00 23.12 22.82 1xmq s ALA 68 CO 0.08 0.11 1.09 -0.47 0.00 0.00 0.00 175.76 176.58 1xmq s TYR 69 N -0.57 2.92 -0.68 0.00 5.04 -0.10 -0.37 117.35 123.58 1xmq s TYR 69 Ca -0.01 1.57 0.02 0.00 -2.44 0.00 0.00 57.07 56.21 1xmq s TYR 69 Cb -0.05 -3.21 0.17 0.00 0.35 0.00 0.00 41.96 39.22 1xmq s TYR 69 CO 0.00 -1.16 0.48 0.42 -1.34 0.00 0.00 175.55 173.95 1xmq s ILE 70 N -1.77 3.28 0.89 3.14 1.01 -0.68 -1.29 121.20 125.78 1xmq s ILE 70 Ca 0.67 -3.66 -0.12 0.00 0.00 0.00 0.00 60.65 57.53 1xmq s ILE 70 Cb -0.22 -3.15 0.10 0.00 0.01 0.00 0.00 42.46 39.20 1xmq s ILE 70 CO 0.26 -0.94 0.95 -0.81 0.00 0.00 0.00 174.94 174.40 1xmq n PRO 71 N 2.67 -0.22 0.00 2.79 -0.04 -1.26 -4.81 135.00 134.13 1xmq n PRO 71 Ca 0.14 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1xmq n PRO 71 Cb 0.35 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 1xmq n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xmq n GLY 72 N 0.71 2.47 0.39 0.55 0.00 -1.26 -4.84 105.19 103.21 1xmq n GLY 72 Ca 0.11 -1.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 1xmq n GLY 72 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xmq h GLU 73 N 0.00 -0.51 -3.40 1.61 4.39 -1.95 -3.44 114.58 111.27 1xmq h GLU 73 Ca 0.00 0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.60 1xmq h GLU 73 Cb 0.00 0.12 -0.20 0.00 -0.10 0.00 0.00 28.75 28.57 1xmq h GLU 73 CO 0.00 -0.34 -0.42 0.20 -1.16 0.00 0.00 179.01 177.29 1xmq s GLY 74 N -2.48 -0.01 0.05 -3.84 0.00 -1.26 -5.17 107.32 94.61 1xmq s GLY 74 Ca -0.16 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.51 1xmq s GLY 74 CO 0.64 -0.22 0.00 -2.39 0.00 0.00 0.00 173.10 171.14 1xmq n HIS 75 N 1.24 -0.01 -2.70 1.90 1.44 -1.26 -4.90 115.22 110.93 1xmq n HIS 75 Ca -0.22 -0.26 -0.06 0.00 -2.01 0.00 0.00 57.72 55.17 1xmq n HIS 75 Cb 0.56 -0.04 0.08 0.00 0.12 0.00 0.00 29.99 30.72 1xmq n HIS 75 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1xmq n ASN 76 N -1.11 -0.29 -4.63 4.39 6.94 -1.26 -5.09 115.26 114.20 1xmq n ASN 76 Ca -0.02 -2.46 -0.34 0.00 -0.02 0.00 0.00 54.58 51.74 1xmq n ASN 76 Cb 0.07 0.27 -0.10 0.00 -2.36 0.00 0.00 39.78 37.66 1xmq n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1xmq s LEU 77 N -3.38 3.80 0.47 -4.53 1.43 -1.26 -4.84 118.68 110.37 1xmq s LEU 77 Ca 0.22 0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.47 1xmq s LEU 77 Cb 0.42 -1.96 -0.00 0.00 0.03 0.00 0.00 46.19 44.68 1xmq s LEU 77 CO -0.05 0.18 0.34 -1.10 0.23 0.00 0.00 176.35 175.96 1xmq s GLN 78 N 0.33 2.33 0.00 1.70 -0.21 -1.26 -4.94 119.66 117.61 1xmq s GLN 78 Ca 0.03 -1.83 -0.02 0.00 0.02 0.00 0.00 55.36 53.56 1xmq s GLN 78 Cb -0.12 -2.15 -0.07 0.00 1.00 0.00 0.00 33.01 31.66 1xmq s GLN 78 CO 0.00 -0.36 1.44 0.39 -2.12 0.00 0.00 175.29 174.63 1xmq n GLU 79 N -1.57 0.67 0.00 2.91 1.02 -1.26 -2.59 120.64 119.82 1xmq n GLU 79 Ca 0.00 -0.27 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 1xmq n GLU 79 Cb 0.64 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 1xmq n GLU 79 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1xmq n HIS 80 N 2.46 0.00 -2.72 -0.32 8.25 -1.18 -4.77 115.22 116.93 1xmq n HIS 80 Ca 0.11 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.16 1xmq n HIS 80 Cb 0.31 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.38 1xmq n HIS 80 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1xmq s SER 81 N 0.00 7.50 0.49 0.41 1.04 -1.07 -4.67 113.70 117.40 1xmq s SER 81 Ca 0.00 1.81 -0.22 0.00 0.48 0.00 0.00 55.95 58.02 1xmq s SER 81 Cb 0.00 -2.59 -0.07 0.00 0.10 0.00 0.00 66.02 63.46 1xmq s SER 81 CO 0.00 -0.06 1.15 -0.69 0.98 0.00 0.00 173.24 174.62 1xmq s VAL 82 N -0.06 3.16 0.11 5.02 1.01 -1.26 -1.98 120.40 126.38 1xmq s VAL 82 Ca 0.47 0.82 -0.19 0.00 0.00 0.00 0.00 61.98 63.07 1xmq s VAL 82 Cb -0.24 -3.39 0.05 0.00 0.00 0.00 0.00 36.38 32.81 1xmq s VAL 82 CO 0.30 -0.06 0.48 -0.69 0.00 0.00 0.00 175.10 175.12 1xmq s VAL 83 N -1.63 0.04 -0.21 2.92 1.01 0.11 -2.50 120.40 120.15 1xmq s VAL 83 Ca 0.67 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 62.24 1xmq s VAL 83 Cb -0.27 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1xmq s VAL 83 CO 0.32 -0.20 -0.02 -0.22 0.00 0.00 0.00 175.10 174.98 1xmq s LEU 84 N -2.52 3.12 0.28 3.92 2.96 -1.26 0.13 118.68 125.31 1xmq s LEU 84 Ca -0.00 -0.27 -0.13 0.00 -0.22 0.00 0.00 54.13 53.51 1xmq s LEU 84 Cb 0.00 -1.79 -0.08 0.00 0.50 0.00 0.00 46.19 44.82 1xmq s LEU 84 CO -0.09 0.04 0.66 -0.63 -1.32 0.00 0.00 176.35 175.01 1xmq s ILE 85 N 1.16 4.78 0.00 6.68 1.01 0.11 -1.12 121.20 133.81 1xmq s ILE 85 Ca 0.02 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.45 1xmq s ILE 85 Cb -0.14 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.70 1xmq s ILE 85 CO 0.01 -0.12 0.10 -2.11 0.00 0.00 0.00 174.94 172.82 1xmq n ARG 86 N -0.21 2.92 0.00 2.79 1.85 0.89 -2.71 116.66 122.19 1xmq n ARG 86 Ca 0.02 -0.10 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 1xmq n ARG 86 Cb 0.53 -0.47 0.00 0.00 -1.05 0.00 0.00 32.46 31.46 1xmq n ARG 86 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1xmq n GLY 87 N 0.44 -1.60 0.00 2.89 0.00 -1.26 -4.81 105.19 100.86 1xmq n GLY 87 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1xmq n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xmq n GLY 88 N 0.06 3.19 3.92 -0.02 0.00 -0.97 -4.42 105.19 106.96 1xmq n GLY 88 Ca 0.00 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 1xmq n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xmq s ARG 89 N -4.16 1.34 -0.38 1.61 0.52 -1.24 -2.88 118.95 113.76 1xmq s ARG 89 Ca 0.00 -0.25 0.03 0.00 -0.52 0.00 0.00 55.73 54.99 1xmq s ARG 89 Cb 0.00 -1.95 0.11 0.00 0.52 0.00 0.00 34.95 33.63 1xmq s ARG 89 CO 0.00 -1.94 0.12 0.08 0.02 0.00 0.00 175.30 173.58 1xmq s VAL 90 N -3.66 2.02 0.38 3.52 1.01 -0.75 -4.91 120.40 118.01 1xmq s VAL 90 Ca 0.68 -2.41 0.26 0.00 0.00 0.00 0.00 61.98 60.51 1xmq s VAL 90 Cb -0.07 -2.47 0.41 0.00 0.00 0.00 0.00 36.38 34.25 1xmq s VAL 90 CO 0.50 -0.68 1.42 1.17 0.00 0.00 0.00 175.10 177.51 1xmq n LYS 91 N 4.05 -0.04 0.21 2.72 3.00 -1.26 -1.09 118.16 125.75 1xmq n LYS 91 Ca 0.04 1.17 0.11 0.00 -0.00 0.00 0.00 58.31 59.63 1xmq n LYS 91 Cb 0.39 -2.25 0.19 0.00 0.00 0.00 0.00 35.03 33.37 1xmq n LYS 91 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1xmq h ASP 92 N 0.00 0.00 -3.97 3.14 5.19 -1.96 -3.41 116.42 115.40 1xmq h ASP 92 Ca 0.79 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 56.54 1xmq h ASP 92 Cb 2.42 0.00 -0.39 0.00 0.18 0.00 0.00 39.33 41.54 1xmq h ASP 92 CO -0.51 0.07 -0.60 -0.76 -3.12 0.00 0.00 179.24 174.33 1xmq s LEU 93 N -6.25 4.78 0.48 1.55 1.43 -0.25 -2.45 118.68 117.96 1xmq s LEU 93 Ca 0.06 -2.56 -0.24 0.00 -1.03 0.00 0.00 54.13 50.36 1xmq s LEU 93 Cb 0.06 -1.71 -0.08 0.00 0.03 0.00 0.00 46.19 44.49 1xmq s LEU 93 CO 0.67 -0.35 1.34 -2.65 0.23 0.00 0.00 176.35 175.59 1xmq n PRO 94 N 3.78 1.93 0.00 1.29 -0.02 -1.26 -1.93 135.00 138.78 1xmq n PRO 94 Ca 0.04 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1xmq n PRO 94 Cb 0.38 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1xmq n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xmq n GLY 95 N 0.74 2.58 3.38 -1.23 0.00 -1.26 -5.01 105.19 104.38 1xmq n GLY 95 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 1xmq n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xmq s VAL 96 N -2.53 5.07 -0.50 1.61 1.01 -0.81 -4.75 120.40 119.50 1xmq s VAL 96 Ca 0.00 -1.07 0.07 0.00 0.00 0.00 0.00 61.98 60.98 1xmq s VAL 96 Cb 0.00 -4.02 0.21 0.00 0.00 0.00 0.00 36.38 32.57 1xmq s VAL 96 CO 0.00 -0.54 1.17 0.54 0.00 0.00 0.00 175.10 176.27 1xmq n ARG 97 N 5.15 2.86 -4.05 2.72 1.74 -1.26 -1.81 116.66 122.01 1xmq n ARG 97 Ca -0.12 -1.92 -0.08 0.00 -0.77 0.00 0.00 57.85 54.96 1xmq n ARG 97 Cb 0.44 -1.21 -0.10 0.00 -1.02 0.00 0.00 32.46 30.56 1xmq n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1xmq s TYR 98 N -1.19 0.44 0.22 -1.55 1.51 -1.14 -2.28 117.35 113.36 1xmq s TYR 98 Ca 0.16 -0.85 0.11 0.00 -1.01 0.00 0.00 57.07 55.48 1xmq s TYR 98 Cb 0.10 -0.32 -0.05 0.00 -0.11 0.00 0.00 41.96 41.58 1xmq s TYR 98 CO 0.09 -0.29 -0.23 -1.01 -1.11 0.00 0.00 175.55 173.00 1xmq s HIS 99 N -2.95 2.27 -0.04 2.71 3.76 -1.24 -0.93 115.29 118.88 1xmq s HIS 99 Ca -0.02 -0.36 -0.11 0.00 -0.15 0.00 0.00 55.06 54.42 1xmq s HIS 99 Cb 0.01 -1.09 -0.05 0.00 1.11 0.00 0.00 32.58 32.56 1xmq s HIS 99 CO -0.06 0.55 0.30 0.42 -0.85 0.00 0.00 174.74 175.11 1xmq s ILE 100 N -1.93 5.22 -0.50 0.60 1.01 -0.41 -0.07 121.20 125.11 1xmq s ILE 100 Ca 0.23 0.57 -0.27 0.00 0.00 0.00 0.00 60.65 61.19 1xmq s ILE 100 Cb -0.07 -3.59 0.03 0.00 0.01 0.00 0.00 42.46 38.84 1xmq s ILE 100 CO 0.11 0.58 1.03 -0.69 0.00 0.00 0.00 174.94 175.97 1xmq s VAL 101 N -1.08 4.31 0.14 2.92 1.01 -0.27 -4.66 120.40 122.78 1xmq s VAL 101 Ca 0.21 0.81 -0.31 0.00 0.00 0.00 0.00 61.98 62.69 1xmq s VAL 101 Cb -0.15 -4.55 -0.09 0.00 0.00 0.00 0.00 36.38 31.60 1xmq s VAL 101 CO 0.10 -1.01 1.46 -0.13 0.00 0.00 0.00 175.10 175.51 1xmq s ARG 102 N 4.17 4.28 0.00 2.72 0.52 -1.26 -2.88 118.95 126.50 1xmq s ARG 102 Ca 0.40 2.19 0.00 0.00 -0.52 0.00 0.00 55.73 57.80 1xmq s ARG 102 Cb -0.09 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 32.17 1xmq s ARG 102 CO 0.26 -0.50 0.00 0.41 0.02 0.00 0.00 175.30 175.50 1xmq n GLY 103 N 3.51 0.74 3.32 -3.53 0.00 -0.87 -2.99 105.19 105.37 1xmq n GLY 103 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1xmq n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xmq s VAL 104 N -2.00 2.30 0.00 1.61 1.01 -1.14 -4.91 120.40 117.28 1xmq s VAL 104 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1xmq s VAL 104 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.53 1xmq s VAL 104 CO 0.00 0.57 0.00 -1.22 0.00 0.00 0.00 175.10 174.45 1xmq n TYR 105 N 2.82 0.00 1.44 5.22 0.53 -1.26 -2.77 117.16 123.13 1xmq n TYR 105 Ca -0.17 0.00 0.14 0.00 -1.02 0.00 0.00 57.90 56.85 1xmq n TYR 105 Cb 0.52 0.00 0.64 0.00 -1.03 0.00 0.00 39.34 39.47 1xmq n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 1xmq n ASP 106 N 5.83 0.42 -4.54 7.72 10.43 -1.04 -4.73 116.55 130.63 1xmq n ASP 106 Ca 0.00 -0.57 -0.43 0.00 2.57 0.00 0.00 54.79 56.36 1xmq n ASP 106 Cb 0.00 -0.09 -0.05 0.00 1.84 0.00 0.00 41.12 42.82 1xmq n ASP 106 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xmq s ALA 107 N -2.45 3.31 1.07 2.24 0.00 -1.12 -4.84 121.76 119.97 1xmq s ALA 107 Ca 0.30 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 51.16 1xmq s ALA 107 Cb 0.20 -3.45 0.23 0.00 0.00 0.00 0.00 23.12 20.10 1xmq s ALA 107 CO 0.47 -1.87 1.06 0.00 0.00 0.00 0.00 175.76 175.41 1xmq s ALA 108 N 3.25 0.28 1.00 0.00 0.00 -1.26 -2.05 121.76 122.99 1xmq s ALA 108 Ca 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1xmq s ALA 108 Cb -0.12 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1xmq s ALA 108 CO 0.22 -3.32 0.00 0.41 0.00 0.00 0.00 175.76 173.07 1xmq n GLY 109 N -0.10 -0.65 3.05 0.00 0.00 -1.26 -3.34 105.19 102.89 1xmq n GLY 109 Ca 0.04 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 1xmq n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xmq s VAL 110 N 0.00 2.74 0.73 1.61 1.01 -1.10 -4.88 120.40 120.51 1xmq s VAL 110 Ca 0.00 -2.40 -0.16 0.00 0.00 0.00 0.00 61.98 59.42 1xmq s VAL 110 Cb 0.00 -2.94 0.03 0.00 0.00 0.00 0.00 36.38 33.47 1xmq s VAL 110 CO 0.00 -0.67 1.19 0.29 0.00 0.00 0.00 175.10 175.91 1xmq n LYS 111 N 4.19 0.61 -0.63 2.72 5.02 -1.26 -2.20 118.16 126.60 1xmq n LYS 111 Ca 0.02 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1xmq n LYS 111 Cb 0.40 -2.43 0.00 0.00 -0.02 0.00 0.00 35.03 32.99 1xmq n LYS 111 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1xmq n ASP 112 N -2.41 0.00 -4.76 4.39 10.43 -1.26 -4.99 116.55 117.94 1xmq n ASP 112 Ca 0.14 0.00 -0.37 0.00 2.57 0.00 0.00 54.79 57.13 1xmq n ASP 112 Cb 0.49 -0.37 0.01 0.00 1.84 0.00 0.00 41.12 43.09 1xmq n ASP 112 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1xmq s ARG 113 N -0.12 3.52 0.00 -1.24 1.81 -0.94 -4.94 118.95 117.05 1xmq s ARG 113 Ca 0.00 1.91 0.00 0.00 -1.72 0.00 0.00 55.73 55.92 1xmq s ARG 113 Cb 0.00 -2.33 0.00 0.00 -0.45 0.00 0.00 34.95 32.17 1xmq s ARG 113 CO 0.00 -0.78 0.00 1.63 -0.68 0.00 0.00 175.30 175.47 1xmq n LYS 114 N -0.73 2.74 0.00 3.54 4.76 -1.26 -4.99 118.16 122.22 1xmq n LYS 114 Ca 0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1xmq n LYS 114 Cb 0.47 -0.59 0.00 0.00 -1.84 0.00 0.00 35.03 33.08 1xmq n LYS 114 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1xmq n LYS 115 N -0.52 0.00 -0.23 1.97 5.02 -1.26 -4.72 118.16 118.42 1xmq n LYS 115 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xmq n LYS 115 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.05 1xmq n LYS 115 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1xmq n SER 116 N -0.28 2.51 -0.34 4.39 7.64 -1.26 -4.54 113.62 121.74 1xmq n SER 116 Ca 0.00 -1.64 0.22 0.00 1.01 0.00 0.00 58.87 58.47 1xmq n SER 116 Cb 0.00 -0.53 0.46 0.00 -1.01 0.00 0.00 64.21 63.13 1xmq n SER 116 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1xmq h ARG 117 N 2.47 0.40 -0.78 1.43 3.08 -1.89 0.31 114.38 119.40 1xmq h ARG 117 Ca 0.00 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.12 1xmq h ARG 117 Cb 0.48 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.37 1xmq h ARG 117 CO 0.00 0.26 0.42 0.66 -1.07 0.00 0.00 179.97 180.24 1xmq h SER 118 N 0.41 0.58 -4.16 7.04 4.64 -1.85 -2.00 113.55 118.22 1xmq h SER 118 Ca 0.69 0.05 -0.47 0.00 -0.47 0.00 0.00 61.79 61.60 1xmq h SER 118 Cb 1.55 -0.05 0.02 0.00 -0.31 0.00 0.00 62.40 63.61 1xmq h SER 118 CO -0.51 0.33 0.37 -0.54 -0.87 0.00 0.00 176.83 175.61 1xmq s LYS 119 N -6.04 3.85 0.00 4.77 1.02 0.10 -2.71 119.74 120.73 1xmq s LYS 119 Ca -0.12 1.09 0.00 0.00 0.02 0.00 0.00 55.97 56.95 1xmq s LYS 119 Cb 0.19 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.38 1xmq s LYS 119 CO 0.77 -0.36 0.00 0.66 -0.92 0.00 0.00 175.35 175.51 1xmq n TYR 120 N -1.43 0.00 -3.53 3.18 4.02 -1.26 -4.45 117.16 113.69 1xmq n TYR 120 Ca 0.07 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.72 1xmq n TYR 120 Cb 0.54 -0.21 0.01 0.00 -0.02 0.00 0.00 39.34 39.66 1xmq n TYR 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xmq n GLY 121 N -2.00 -0.88 2.90 2.72 0.00 -0.86 -2.70 105.19 104.38 1xmq n GLY 121 Ca 0.00 0.81 -0.28 0.00 0.00 0.00 0.00 46.02 46.54 1xmq n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xmq s THR 122 N -2.52 1.15 0.74 2.61 -4.23 -0.81 -4.16 115.64 108.43 1xmq s THR 122 Ca 0.13 -0.67 -0.17 0.00 -1.18 0.00 0.00 61.69 59.81 1xmq s THR 122 Cb -0.02 -1.32 -0.10 0.00 1.34 0.00 0.00 72.50 72.40 1xmq s THR 122 CO 0.86 0.13 -0.06 0.29 -0.54 0.00 0.00 174.62 175.29 1xmq n LYS 123 N 4.86 0.09 -2.07 3.99 4.76 -1.26 -4.73 118.16 123.79 1xmq n LYS 123 Ca -0.12 0.05 -0.42 0.00 -2.87 0.00 0.00 58.31 54.94 1xmq n LYS 123 Cb 0.48 -1.33 -0.03 0.00 -1.84 0.00 0.00 35.03 32.30 1xmq n LYS 123 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1xmq s LYS 124 N -2.04 4.22 0.25 1.97 2.47 -1.26 -4.98 119.74 120.37 1xmq s LYS 124 Ca 0.55 2.13 -0.30 0.00 -1.56 0.00 0.00 55.97 56.79 1xmq s LYS 124 Cb -0.34 -3.75 -0.09 0.00 -1.46 0.00 0.00 37.83 32.19 1xmq s LYS 124 CO 0.68 -0.73 1.08 -1.25 0.16 0.00 0.00 175.35 175.29 1xmq s PRO 125 N 3.14 4.66 0.13 4.03 0.04 -1.26 -4.98 135.00 140.76 1xmq s PRO 125 Ca 0.70 1.74 -0.31 0.00 0.04 0.00 0.00 61.00 63.17 1xmq s PRO 125 Cb -0.34 -3.22 -0.08 0.00 0.04 0.00 0.00 34.50 30.90 1xmq s PRO 125 CO 0.28 0.23 1.42 0.15 0.04 0.00 0.00 177.00 179.12 1xmq s LYS 126 N -1.19 4.30 -0.85 4.56 3.01 -1.26 -4.95 119.74 123.36 1xmq s LYS 126 Ca 0.45 2.14 0.00 0.00 -1.01 0.00 0.00 55.97 57.55 1xmq s LYS 126 Cb -0.31 -3.22 0.34 0.00 -1.01 0.00 0.00 37.83 33.63 1xmq s LYS 126 CO 0.39 -0.46 1.66 -0.85 0.51 0.00 0.00 175.35 176.60 1xmq n GLU 127 N 3.82 4.18 0.00 1.68 0.28 -1.26 -5.34 120.64 124.01 1xmq n GLU 127 Ca 0.11 -4.39 0.04 0.00 -0.16 0.00 0.00 57.16 52.76 1xmq n GLU 127 Cb 0.41 -2.36 0.23 0.00 1.43 0.00 0.00 31.44 31.16 1xmq n GLU 127 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97