#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uua s THR 6 N 0.00 2.69 0.16 0.52 -4.23 -1.26 -4.75 115.64 108.77 2uua s THR 6 Ca 0.00 0.28 -0.16 0.00 -1.18 0.00 0.00 61.69 60.63 2uua s THR 6 Cb 0.00 -2.68 0.02 0.00 1.34 0.00 0.00 72.50 71.19 2uua s THR 6 CO 0.00 -0.24 1.77 0.40 -0.54 0.00 0.00 174.62 176.01 2uua h ILE 7 N -0.83 0.95 -0.57 2.99 1.08 -2.04 0.32 117.51 119.40 2uua h ILE 7 Ca -0.45 -0.12 0.12 0.00 -0.39 0.00 0.00 64.86 64.01 2uua h ILE 7 Cb 1.26 0.57 -0.11 0.00 -3.07 0.00 0.00 36.82 35.47 2uua h ILE 7 CO 0.49 0.06 -0.12 -1.13 -0.69 0.00 0.00 178.15 176.76 2uua h ASN 8 N 0.35 -0.49 -0.18 1.72 -1.24 -1.98 1.65 115.58 115.41 2uua h ASN 8 Ca 0.16 0.17 0.02 0.00 0.71 0.00 0.00 56.30 57.36 2uua h ASN 8 Cb 0.09 0.34 -0.02 0.00 0.73 0.00 0.00 38.32 39.46 2uua h ASN 8 CO -0.13 -0.18 0.05 1.56 -1.29 0.00 0.00 177.43 177.44 2uua h GLN 9 N 0.01 0.12 -0.54 6.67 4.20 -1.43 0.37 115.11 124.53 2uua h GLN 9 Ca 0.28 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.03 2uua h GLN 9 Cb 0.43 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 2uua h GLN 9 CO -0.58 0.08 0.36 -0.07 -0.67 0.00 0.00 178.83 177.95 2uua h LEU 10 N 0.13 0.47 -0.17 1.46 3.38 0.30 1.03 115.31 121.90 2uua h LEU 10 Ca 0.08 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2uua h LEU 10 Cb 0.06 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2uua h LEU 10 CO -0.10 0.32 -0.05 0.58 0.09 0.00 0.00 178.44 179.28 2uua h VAL 11 N 0.54 1.29 -0.09 1.22 2.07 0.41 0.47 116.25 122.16 2uua h VAL 11 Ca 0.22 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 2uua h VAL 11 Cb 0.21 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2uua h VAL 11 CO -0.06 0.31 -0.02 0.03 0.02 0.00 0.00 177.57 177.85 2uua h ARG 12 N 0.05 0.17 0.00 1.57 3.08 0.15 -3.39 114.38 116.01 2uua h ARG 12 Ca 0.04 -0.06 -0.25 0.00 0.07 0.00 0.00 59.98 59.78 2uua h ARG 12 Cb 0.49 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.49 2uua h ARG 12 CO 0.02 0.48 -1.93 1.63 -1.07 0.00 0.00 179.97 179.10 2uua n LYS 13 N -4.79 1.60 -1.02 0.04 5.02 0.34 -5.09 118.16 114.26 2uua n LYS 13 Ca -0.07 0.01 0.12 0.00 -2.02 0.00 0.00 58.31 56.36 2uua n LYS 13 Cb 0.23 -1.35 -0.07 0.00 -0.02 0.00 0.00 35.03 33.83 2uua n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2uua n GLY 14 N 2.24 -3.07 3.73 0.72 0.00 0.16 -4.87 105.19 104.11 2uua n GLY 14 Ca -0.23 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.32 2uua n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2uua s ARG 15 N -3.78 1.12 -0.23 1.61 1.81 -1.26 -4.97 118.95 113.26 2uua s ARG 15 Ca 0.00 0.63 0.02 0.00 -1.72 0.00 0.00 55.73 54.66 2uua s ARG 15 Cb 0.00 -1.81 0.05 0.00 -0.45 0.00 0.00 34.95 32.74 2uua s ARG 15 CO 0.00 -2.29 -0.13 -2.00 -0.68 0.00 0.00 175.30 170.21 2uua s GLU 16 N -5.02 2.33 0.08 3.54 2.12 -1.26 -5.08 118.70 115.40 2uua s GLU 16 Ca 0.64 -1.09 -0.31 0.00 0.36 0.00 0.00 54.97 54.57 2uua s GLU 16 Cb -0.17 -2.69 -0.08 0.00 0.26 0.00 0.00 34.13 31.45 2uua s GLU 16 CO 0.56 -0.45 1.53 0.15 -0.54 0.00 0.00 175.26 176.51 2uua s LYS 17 N 1.23 4.24 -0.12 4.30 1.02 -1.26 -4.98 119.74 124.18 2uua s LYS 17 Ca -0.04 2.20 -0.02 0.00 0.02 0.00 0.00 55.97 58.14 2uua s LYS 17 Cb -0.17 -3.45 -0.03 0.00 -0.52 0.00 0.00 37.83 33.66 2uua s LYS 17 CO -0.08 -0.62 -0.05 0.08 -0.92 0.00 0.00 175.35 173.76 2uua s VAL 18 N 2.05 3.79 0.10 3.17 1.01 -1.26 -5.10 120.40 124.17 2uua s VAL 18 Ca 0.69 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 2uua s VAL 18 Cb -0.38 -2.61 -0.06 0.00 0.00 0.00 0.00 36.38 33.33 2uua s VAL 18 CO 0.30 0.54 0.40 -0.13 0.00 0.00 0.00 175.10 176.22 2uua s ARG 19 N -0.17 3.73 0.32 2.72 0.52 -1.26 -5.09 118.95 119.71 2uua s ARG 19 Ca 0.03 0.12 -0.09 0.00 -0.52 0.00 0.00 55.73 55.27 2uua s ARG 19 Cb -0.13 -2.95 -0.06 0.00 0.52 0.00 0.00 34.95 32.33 2uua s ARG 19 CO 0.03 0.53 0.64 0.15 0.02 0.00 0.00 175.30 176.67 2uua s LYS 20 N -2.12 3.76 -0.02 3.54 -0.14 -1.26 -5.08 119.74 118.43 2uua s LYS 20 Ca 0.35 0.30 -0.15 0.00 -1.36 0.00 0.00 55.97 55.11 2uua s LYS 20 Cb -0.13 -2.54 -0.06 0.00 -1.68 0.00 0.00 37.83 33.42 2uua s LYS 20 CO 0.20 0.15 0.41 0.15 -0.76 0.00 0.00 175.35 175.49 2uua s LYS 21 N -3.41 3.96 0.31 1.68 3.01 -1.26 -5.05 119.74 118.98 2uua s LYS 21 Ca 0.48 0.40 -0.29 0.00 -1.01 0.00 0.00 55.97 55.55 2uua s LYS 21 Cb -0.11 -3.24 -0.10 0.00 -1.01 0.00 0.00 37.83 33.37 2uua s LYS 21 CO 0.27 0.63 1.36 0.45 0.51 0.00 0.00 175.35 178.57 2uua s SER 22 N -0.89 6.70 0.00 2.83 0.15 -1.26 -4.89 113.70 116.34 2uua s SER 22 Ca 0.23 2.71 0.21 0.00 0.70 0.00 0.00 55.95 59.80 2uua s SER 22 Cb -0.16 -2.64 0.56 0.00 -1.71 0.00 0.00 66.02 62.06 2uua s SER 22 CO 0.13 -0.61 1.46 0.29 1.20 0.00 0.00 173.24 175.70 2uua n LYS 23 N 1.26 2.13 -3.18 5.44 5.02 -1.26 -4.60 118.16 122.96 2uua n LYS 23 Ca 0.02 -1.71 -0.23 0.00 -2.02 0.00 0.00 58.31 54.37 2uua n LYS 23 Cb 0.41 -1.44 -0.07 0.00 -0.02 0.00 0.00 35.03 33.91 2uua n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2uua n VAL 24 N 0.92 -0.71 -0.71 -0.18 0.31 -1.26 -4.97 118.33 111.73 2uua n VAL 24 Ca 0.18 -3.78 -0.20 0.00 -0.01 0.00 0.00 64.34 60.53 2uua n VAL 24 Cb 0.46 -1.70 -0.03 0.00 -0.91 0.00 0.00 33.84 31.66 2uua n VAL 24 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2uua n PRO 25 N 1.58 1.93 -0.74 5.55 -0.02 -1.26 -4.15 135.00 137.89 2uua n PRO 25 Ca 0.21 -1.32 -0.14 0.00 -2.02 0.00 0.00 63.50 60.24 2uua n PRO 25 Cb 0.53 -2.35 0.06 0.00 -0.02 0.00 0.00 33.50 31.72 2uua n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2uua n ALA 26 N 3.97 4.57 -0.11 3.55 0.00 -1.26 -4.96 120.51 126.28 2uua n ALA 26 Ca 0.41 -1.47 0.00 0.00 0.00 0.00 0.00 53.44 52.38 2uua n ALA 26 Cb 0.19 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2uua n ALA 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2uua n LEU 27 N 0.12 0.00 -0.86 0.00 7.94 -1.26 -3.99 117.00 118.95 2uua n LEU 27 Ca 0.28 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 2uua n LEU 27 Cb 0.77 -0.62 0.00 0.00 0.53 0.00 0.00 43.42 44.10 2uua n LEU 27 CO 0.33 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 177.78 2uua n LYS 28 N -0.72 -1.10 -3.09 1.96 4.81 -1.26 -1.29 118.16 117.46 2uua n LYS 28 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 2uua n LYS 28 Cb 0.41 -1.79 -0.04 0.00 0.02 0.00 0.00 35.03 33.63 2uua n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2uua n GLY 29 N -0.10 -0.08 3.84 3.14 0.00 -1.26 -4.81 105.19 105.92 2uua n GLY 29 Ca 0.00 0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 2uua n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uua s ALA 30 N -3.07 2.47 0.09 4.61 0.00 -0.41 -4.96 121.76 120.49 2uua s ALA 30 Ca 0.10 -0.34 0.13 0.00 0.00 0.00 0.00 51.96 51.85 2uua s ALA 30 Cb -0.06 -3.05 0.19 0.00 0.00 0.00 0.00 23.12 20.20 2uua s ALA 30 CO 0.41 -1.57 1.50 -1.00 0.00 0.00 0.00 175.76 175.09 2uua h PRO 31 N -0.98 0.00 -3.32 0.00 0.13 -1.92 -3.46 132.00 122.45 2uua h PRO 31 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 2uua h PRO 31 Cb 1.28 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.20 2uua h PRO 31 CO 0.62 0.65 -0.41 -0.06 -0.23 0.00 0.00 178.00 178.57 2uua s PHE 32 N -3.17 -0.05 -0.02 1.56 0.08 -1.26 -4.67 117.98 110.45 2uua s PHE 32 Ca 0.01 0.03 0.02 0.00 0.12 0.00 0.00 56.93 57.11 2uua s PHE 32 Cb 0.10 0.01 0.00 0.00 -0.57 0.00 0.00 43.02 42.57 2uua s PHE 32 CO 0.76 -0.32 -0.06 0.50 -0.10 0.00 0.00 175.22 176.00 2uua s ARG 33 N -1.33 0.61 0.23 0.44 6.06 -1.02 -4.98 118.95 118.95 2uua s ARG 33 Ca -0.14 -0.18 -0.14 0.00 -2.50 0.00 0.00 55.73 52.77 2uua s ARG 33 Cb -0.07 -0.61 -0.08 0.00 0.06 0.00 0.00 34.95 34.26 2uua s ARG 33 CO 0.03 0.06 0.63 0.50 -2.50 0.00 0.00 175.30 174.02 2uua s ARG 34 N 0.22 3.99 0.23 5.12 3.52 -1.26 -0.81 118.95 129.95 2uua s ARG 34 Ca -0.03 0.55 -0.06 0.00 -0.13 0.00 0.00 55.73 56.07 2uua s ARG 34 Cb -0.07 -2.70 0.02 0.00 -1.56 0.00 0.00 34.95 30.64 2uua s ARG 34 CO -0.00 0.33 0.41 0.41 -0.81 0.00 0.00 175.30 175.63 2uua n GLY 35 N 0.20 1.81 3.18 8.12 0.00 -0.16 -0.40 105.19 117.95 2uua n GLY 35 Ca -0.01 -1.30 -0.19 0.00 0.00 0.00 0.00 46.02 44.52 2uua n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uua s VAL 36 N -2.54 1.18 -0.07 1.61 1.01 0.34 -0.83 120.40 121.10 2uua s VAL 36 Ca 0.13 -1.25 -0.28 0.00 0.00 0.00 0.00 61.98 60.58 2uua s VAL 36 Cb -0.02 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 2uua s VAL 36 CO 0.09 -0.14 0.94 0.00 0.00 0.00 0.00 175.10 175.99 2uua h THR 38 N 4.96 0.08 -3.61 0.00 2.02 -0.89 -3.23 112.91 112.23 2uua h THR 38 Ca -0.36 -1.09 -0.49 0.00 0.77 0.00 0.00 66.41 65.24 2uua h THR 38 Cb 1.18 0.18 -0.19 0.00 -1.74 0.00 0.00 68.15 67.58 2uua h THR 38 CO 0.80 0.03 -0.79 -0.69 0.37 0.00 0.00 175.52 175.24 2uua s VAL 39 N -2.14 1.57 -0.30 3.16 1.01 -1.23 -4.72 120.40 117.77 2uua s VAL 39 Ca -0.13 -1.70 0.10 0.00 0.00 0.00 0.00 61.98 60.25 2uua s VAL 39 Cb 0.02 -1.60 0.47 0.00 0.00 0.00 0.00 36.38 35.27 2uua s VAL 39 CO 0.21 -0.27 1.16 0.52 0.00 0.00 0.00 175.10 176.72 2uua n VAL 40 N 0.67 2.20 -0.09 2.92 0.31 -1.26 -1.11 118.33 121.96 2uua n VAL 40 Ca -0.16 -3.98 -0.03 0.00 -0.01 0.00 0.00 64.34 60.16 2uua n VAL 40 Cb 0.56 -0.59 0.03 0.00 -0.91 0.00 0.00 33.84 32.93 2uua n VAL 40 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2uua n ARG 41 N -0.65 -0.19 -3.87 5.55 0.63 -1.24 -4.77 116.66 112.12 2uua n ARG 41 Ca 0.35 -0.13 -0.11 0.00 -0.92 0.00 0.00 57.85 57.03 2uua n ARG 41 Cb 0.90 -0.27 -0.11 0.00 0.45 0.00 0.00 32.46 33.43 2uua n ARG 41 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2uua s THR 42 N -0.78 0.06 0.09 5.15 -1.32 -1.26 -3.20 115.64 114.38 2uua s THR 42 Ca 0.06 -0.50 0.02 0.00 -1.21 0.00 0.00 61.69 60.07 2uua s THR 42 Cb -0.01 -0.35 -0.04 0.00 -1.51 0.00 0.00 72.50 70.59 2uua s THR 42 CO 0.05 -0.27 -0.07 -0.69 -2.21 0.00 0.00 174.62 171.42 2uua s VAL 43 N -0.94 0.72 -0.08 5.08 1.01 0.33 -4.94 120.40 121.59 2uua s VAL 43 Ca -0.10 -1.74 -0.09 0.00 0.00 0.00 0.00 61.98 60.04 2uua s VAL 43 Cb -0.06 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 2uua s VAL 43 CO 0.01 -0.73 0.22 0.42 0.00 0.00 0.00 175.10 175.02 2uua s THR 44 N -3.03 5.36 1.25 3.92 -4.23 -1.26 0.26 115.64 117.91 2uua s THR 44 Ca 0.07 0.39 -0.18 0.00 -1.18 0.00 0.00 61.69 60.80 2uua s THR 44 Cb 0.01 -3.50 0.30 0.00 1.34 0.00 0.00 72.50 70.66 2uua s THR 44 CO -0.03 0.60 1.02 -2.84 -0.54 0.00 0.00 174.62 172.83 2uua s PRO 45 N -1.08 -1.56 0.28 3.99 0.02 -1.25 -4.91 135.00 130.49 2uua s PRO 45 Ca 0.18 0.34 -0.01 0.00 0.02 0.00 0.00 61.00 61.53 2uua s PRO 45 Cb -0.13 -1.52 -0.04 0.00 0.02 0.00 0.00 34.50 32.83 2uua s PRO 45 CO 0.07 -4.02 0.48 0.21 -0.33 0.00 0.00 177.00 173.42 2uua s LYS 46 N -4.94 3.52 0.00 5.54 2.20 -0.33 -4.86 119.74 120.88 2uua s LYS 46 Ca 0.69 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 2uua s LYS 46 Cb -0.17 -2.73 0.00 0.00 -1.51 0.00 0.00 37.83 33.42 2uua s LYS 46 CO 0.60 0.27 0.00 1.17 -0.36 0.00 0.00 175.35 177.02 2uua n LYS 47 N -1.20 0.00 -0.41 4.03 3.00 -1.26 -0.70 118.16 121.62 2uua n LYS 47 Ca -0.04 0.00 0.34 0.00 -0.00 0.00 0.00 58.31 58.60 2uua n LYS 47 Cb 0.55 0.00 0.61 0.00 0.00 0.00 0.00 35.03 36.19 2uua n LYS 47 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2uua h PRO 48 N 0.00 0.14 -6.59 1.64 0.13 -2.00 -3.42 132.00 121.90 2uua h PRO 48 Ca 0.00 -0.01 -0.46 0.00 -0.87 0.00 0.00 66.00 64.66 2uua h PRO 48 Cb 0.00 -0.03 0.02 0.00 0.13 0.00 0.00 31.00 31.12 2uua h PRO 48 CO 0.00 0.09 -0.16 -0.80 -0.23 0.00 0.00 178.00 176.90 2uua s ASN 49 N -4.64 5.96 -0.21 1.44 0.02 0.12 -5.11 114.94 112.52 2uua s ASN 49 Ca -0.08 0.24 -0.08 0.00 -1.02 0.00 0.00 52.86 51.92 2uua s ASN 49 Cb 0.29 -1.59 0.09 0.00 0.02 0.00 0.00 41.25 40.06 2uua s ASN 49 CO 0.81 -0.56 0.46 -0.55 0.02 0.00 0.00 177.10 177.28 2uua s SER 50 N -4.17 -0.47 0.00 -1.22 0.15 -1.26 -4.38 113.70 102.36 2uua s SER 50 Ca 0.46 1.08 0.00 0.00 0.70 0.00 0.00 55.95 58.18 2uua s SER 50 Cb -0.10 1.34 0.00 0.00 -1.71 0.00 0.00 66.02 65.55 2uua s SER 50 CO 0.36 -0.22 0.00 0.00 1.20 0.00 0.00 173.24 174.58 2uua n ALA 51 N 5.08 0.00 -3.54 5.45 0.00 -1.26 -4.98 120.51 121.26 2uua n ALA 51 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.91 2uua n ALA 51 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 2uua n ALA 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2uua s LEU 52 N 0.00 5.85 0.16 0.00 1.43 -1.26 -3.86 118.68 120.99 2uua s LEU 52 Ca 0.00 -3.44 -0.30 0.00 -1.03 0.00 0.00 54.13 49.35 2uua s LEU 52 Cb 0.00 -2.01 -0.08 0.00 0.03 0.00 0.00 46.19 44.13 2uua s LEU 52 CO 0.00 -0.28 1.29 -0.60 0.23 0.00 0.00 176.35 176.99 2uua s ARG 53 N -0.96 4.40 0.23 1.70 3.52 0.14 -4.75 118.95 123.22 2uua s ARG 53 Ca 0.26 1.99 -0.27 0.00 -0.13 0.00 0.00 55.73 57.57 2uua s ARG 53 Cb -0.10 -3.24 -0.09 0.00 -1.56 0.00 0.00 34.95 29.97 2uua s ARG 53 CO -0.10 -0.27 0.88 0.15 -0.81 0.00 0.00 175.30 175.15 2uua s LYS 54 N 0.31 4.68 0.33 5.12 3.01 -1.26 0.12 119.74 132.05 2uua s LYS 54 Ca 0.58 1.32 -0.01 0.00 -1.01 0.00 0.00 55.97 56.84 2uua s LYS 54 Cb -0.35 -3.16 -0.00 0.00 -1.01 0.00 0.00 37.83 33.31 2uua s LYS 54 CO 0.35 0.48 0.43 0.08 0.51 0.00 0.00 175.35 177.21 2uua s VAL 55 N -1.27 0.00 -0.17 3.17 1.01 -1.19 -3.45 120.40 118.49 2uua s VAL 55 Ca 0.41 -1.66 -0.18 0.00 0.00 0.00 0.00 61.98 60.55 2uua s VAL 55 Cb -0.23 -2.60 0.05 0.00 0.00 0.00 0.00 36.38 33.60 2uua s VAL 55 CO 0.28 0.00 0.49 0.00 0.00 0.00 0.00 175.10 175.87 2uua s ALA 56 N -3.19 -1.21 -0.23 5.51 0.00 -0.12 -3.69 121.76 118.82 2uua s ALA 56 Ca 0.32 1.30 -0.16 0.00 0.00 0.00 0.00 51.96 53.42 2uua s ALA 56 Cb 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 2uua s ALA 56 CO 0.20 -0.24 0.43 0.21 0.00 0.00 0.00 175.76 176.36 2uua s LYS 57 N 0.07 4.12 -0.10 0.00 2.47 -0.27 0.20 119.74 126.24 2uua s LYS 57 Ca -0.02 0.22 0.03 0.00 -1.56 0.00 0.00 55.97 54.65 2uua s LYS 57 Cb -0.03 -3.58 0.00 0.00 -1.46 0.00 0.00 37.83 32.75 2uua s LYS 57 CO 0.01 -0.16 -0.21 0.08 0.16 0.00 0.00 175.35 175.23 2uua s VAL 58 N 1.69 1.87 -0.34 4.02 1.01 0.74 -0.28 120.40 129.11 2uua s VAL 58 Ca 0.19 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 2uua s VAL 58 Cb -0.15 -1.64 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 2uua s VAL 58 CO 0.09 0.52 0.59 -0.60 0.00 0.00 0.00 175.10 175.69 2uua s ARG 59 N 0.46 3.73 0.33 2.72 3.52 0.45 -0.13 118.95 130.03 2uua s ARG 59 Ca -0.17 0.05 -0.11 0.00 -0.13 0.00 0.00 55.73 55.37 2uua s ARG 59 Cb -0.17 -3.78 -0.07 0.00 -1.56 0.00 0.00 34.95 29.36 2uua s ARG 59 CO 0.07 -0.65 0.69 -0.51 -0.81 0.00 0.00 175.30 174.09 2uua s LEU 60 N 2.56 4.01 0.50 -0.88 2.01 1.17 -0.50 118.68 127.55 2uua s LEU 60 Ca 0.23 1.10 0.26 0.00 0.01 0.00 0.00 54.13 55.73 2uua s LEU 60 Cb -0.15 -3.92 1.33 0.00 0.01 0.00 0.00 46.19 43.45 2uua s LEU 60 CO 0.13 -0.24 2.02 0.71 1.01 0.00 0.00 176.35 179.98 2uua h THR 61 N 1.64 0.58 0.00 5.49 1.35 -1.00 0.79 112.91 121.75 2uua h THR 61 Ca -0.47 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 2uua h THR 61 Cb 1.18 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 2uua h THR 61 CO 0.66 0.14 0.00 -1.54 -0.25 0.00 0.00 175.52 174.53 2uua n SER 62 N -3.60 0.67 -3.07 5.36 3.41 -1.26 -4.79 113.62 110.34 2uua n SER 62 Ca -0.01 -1.67 -0.22 0.00 -0.26 0.00 0.00 58.87 56.71 2uua n SER 62 Cb 0.28 -0.34 0.02 0.00 -0.26 0.00 0.00 64.21 63.91 2uua n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2uua n GLY 63 N 0.13 -0.51 3.38 5.00 0.00 0.26 -4.96 105.19 108.50 2uua n GLY 63 Ca 0.00 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 2uua n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2uua s TYR 64 N -3.06 2.18 -0.24 1.61 1.51 -1.19 -4.92 117.35 113.23 2uua s TYR 64 Ca 0.30 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.98 2uua s TYR 64 Cb -0.14 -1.14 0.07 0.00 -0.11 0.00 0.00 41.96 40.63 2uua s TYR 64 CO 0.37 0.36 -0.02 -2.00 -1.11 0.00 0.00 175.55 173.16 2uua s GLU 65 N -2.28 1.36 0.17 -0.62 2.12 -1.25 0.37 118.70 118.57 2uua s GLU 65 Ca 0.15 -0.98 0.04 0.00 0.36 0.00 0.00 54.97 54.54 2uua s GLU 65 Cb -0.09 -2.49 -0.05 0.00 0.26 0.00 0.00 34.13 31.76 2uua s GLU 65 CO 0.07 -0.67 -0.06 0.14 -0.54 0.00 0.00 175.26 174.19 2uua s VAL 66 N 1.45 1.03 -0.03 3.70 -7.23 0.81 -4.86 120.40 115.28 2uua s VAL 66 Ca -0.02 -2.03 -0.16 0.00 -1.81 0.00 0.00 61.98 57.95 2uua s VAL 66 Cb -0.18 -1.99 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 2uua s VAL 66 CO -0.09 -0.62 0.44 0.42 -0.31 0.00 0.00 175.10 174.95 2uua s THR 67 N -3.42 5.05 0.04 5.32 -4.23 -1.25 0.26 115.64 117.41 2uua s THR 67 Ca 0.20 0.91 0.05 0.00 -1.18 0.00 0.00 61.69 61.67 2uua s THR 67 Cb 0.04 -3.76 -0.02 0.00 1.34 0.00 0.00 72.50 70.09 2uua s THR 67 CO 0.02 0.50 -0.13 0.00 -0.54 0.00 0.00 174.62 174.47 2uua s ALA 68 N -0.53 1.09 0.57 3.99 0.00 0.13 -4.19 121.76 122.82 2uua s ALA 68 Ca 0.25 -0.83 -0.14 0.00 0.00 0.00 0.00 51.96 51.23 2uua s ALA 68 Cb -0.16 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 2uua s ALA 68 CO 0.13 0.18 1.02 -0.47 0.00 0.00 0.00 175.76 176.62 2uua s TYR 69 N -0.96 3.38 -0.62 0.00 5.04 0.57 -0.95 117.35 123.82 2uua s TYR 69 Ca -0.00 1.42 0.04 0.00 -2.44 0.00 0.00 57.07 56.09 2uua s TYR 69 Cb -0.08 -2.82 0.15 0.00 0.35 0.00 0.00 41.96 39.56 2uua s TYR 69 CO 0.01 -0.67 0.39 0.42 -1.34 0.00 0.00 175.55 174.36 2uua s ILE 70 N -2.78 2.84 0.77 3.14 1.01 -1.22 -0.33 121.20 124.63 2uua s ILE 70 Ca 0.59 -3.73 -0.14 0.00 0.00 0.00 0.00 60.65 57.36 2uua s ILE 70 Cb -0.12 -2.91 0.06 0.00 0.01 0.00 0.00 42.46 39.50 2uua s ILE 70 CO 0.41 -0.90 1.21 -0.81 0.00 0.00 0.00 174.94 174.85 2uua n PRO 71 N 2.62 0.39 0.00 2.79 -0.04 -1.26 -4.82 135.00 134.68 2uua n PRO 71 Ca 0.12 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 2uua n PRO 71 Cb 0.34 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 2uua n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2uua n GLY 72 N 0.65 0.33 0.09 0.55 0.00 -1.26 -4.89 105.19 100.66 2uua n GLY 72 Ca 0.14 -1.74 -0.08 0.00 0.00 0.00 0.00 46.02 44.34 2uua n GLY 72 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2uua h GLU 73 N 0.00 -0.09 0.00 1.61 5.08 -1.98 -3.46 114.58 115.74 2uua h GLU 73 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2uua h GLU 73 Cb 0.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2uua h GLU 73 CO 0.00 0.39 0.00 0.41 -1.00 0.00 0.00 179.01 178.81 2uua n GLY 74 N 1.27 -3.11 0.00 -3.84 0.00 -1.26 -5.07 105.19 93.18 2uua n GLY 74 Ca -0.06 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2uua n GLY 74 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2uua n HIS 75 N -2.48 0.00 -2.90 1.61 -0.00 -1.26 -5.02 115.22 105.18 2uua n HIS 75 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.52 2uua n HIS 75 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 29.97 2uua n HIS 75 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 2uua n ASN 76 N 0.00 2.55 -4.40 0.26 6.94 -1.26 -5.09 115.26 114.26 2uua n ASN 76 Ca 0.00 -3.24 -0.33 0.00 -0.02 0.00 0.00 54.58 50.99 2uua n ASN 76 Cb 0.00 -0.56 -0.14 0.00 -2.36 0.00 0.00 39.78 36.72 2uua n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2uua s LEU 77 N -3.03 2.66 0.38 -4.53 1.43 -1.26 -4.73 118.68 109.60 2uua s LEU 77 Ca 0.41 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 53.27 2uua s LEU 77 Cb 0.36 -1.57 -0.07 0.00 0.03 0.00 0.00 46.19 44.95 2uua s LEU 77 CO -0.09 0.25 0.03 -1.10 0.23 0.00 0.00 176.35 175.67 2uua s GLN 78 N -0.14 1.83 0.00 1.70 -0.21 -1.26 -4.90 119.66 116.68 2uua s GLN 78 Ca -0.01 -2.04 0.00 0.00 0.02 0.00 0.00 55.36 53.33 2uua s GLN 78 Cb -0.14 -1.28 0.00 0.00 1.00 0.00 0.00 33.01 32.59 2uua s GLN 78 CO 0.03 -0.13 0.00 -1.91 -2.12 0.00 0.00 175.29 171.17 2uua n GLU 79 N -0.85 0.00 -0.32 2.91 2.13 -1.26 -0.65 120.64 122.60 2uua n GLU 79 Ca -0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.78 2uua n GLU 79 Cb 0.67 -0.89 0.00 0.00 0.27 0.00 0.00 31.44 31.49 2uua n GLU 79 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2uua n HIS 80 N 0.02 0.00 -2.23 4.31 8.25 -1.22 -4.58 115.22 119.77 2uua n HIS 80 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2uua n HIS 80 Cb 0.00 0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 2uua n HIS 80 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2uua s SER 81 N -0.14 6.86 -0.10 0.41 0.01 0.18 -4.69 113.70 116.23 2uua s SER 81 Ca 0.00 2.12 -0.27 0.00 1.31 0.00 0.00 55.95 59.11 2uua s SER 81 Cb 0.00 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 2uua s SER 81 CO 0.00 -0.70 0.90 -0.69 0.41 0.00 0.00 173.24 173.16 2uua s VAL 82 N 2.20 4.88 0.05 3.43 1.01 -1.26 -1.44 120.40 129.27 2uua s VAL 82 Ca 0.63 1.82 -0.02 0.00 0.00 0.00 0.00 61.98 64.41 2uua s VAL 82 Cb -0.32 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 2uua s VAL 82 CO 0.27 0.09 0.01 0.54 0.00 0.00 0.00 175.10 176.00 2uua s VAL 83 N 1.63 0.20 -0.26 2.92 0.11 -0.01 -1.13 120.40 123.86 2uua s VAL 83 Ca 0.44 -1.66 -0.05 0.00 -2.93 0.00 0.00 61.98 57.78 2uua s VAL 83 Cb -0.18 -1.42 0.00 0.00 -1.53 0.00 0.00 36.38 33.25 2uua s VAL 83 CO 0.18 -0.92 0.02 -0.22 -3.33 0.00 0.00 175.10 170.84 2uua s LEU 84 N -2.82 3.41 0.30 2.54 2.96 -1.26 -0.98 118.68 122.83 2uua s LEU 84 Ca 0.05 -0.59 -0.27 0.00 -0.22 0.00 0.00 54.13 53.10 2uua s LEU 84 Cb 0.06 -1.80 -0.10 0.00 0.50 0.00 0.00 46.19 44.85 2uua s LEU 84 CO -0.10 -0.11 0.96 -0.63 -1.32 0.00 0.00 176.35 175.15 2uua s ILE 85 N 1.47 4.12 0.00 6.68 1.01 0.01 -0.60 121.20 133.89 2uua s ILE 85 Ca 0.03 1.85 0.00 0.00 0.00 0.00 0.00 60.65 62.54 2uua s ILE 85 Cb -0.16 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.24 2uua s ILE 85 CO -0.00 0.23 0.51 -2.11 0.00 0.00 0.00 174.94 173.57 2uua n ARG 86 N 0.78 -0.14 -0.78 2.79 1.85 0.53 -2.45 116.66 119.25 2uua n ARG 86 Ca 0.01 -0.60 0.00 0.00 -1.00 0.00 0.00 57.85 56.26 2uua n ARG 86 Cb 0.49 -0.91 0.00 0.00 -1.05 0.00 0.00 32.46 30.99 2uua n ARG 86 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2uua n GLY 87 N -0.08 -3.65 0.00 2.89 0.00 -1.25 -4.79 105.19 98.30 2uua n GLY 87 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2uua n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uua n GLY 88 N -1.38 3.24 3.95 -0.02 0.00 -0.20 -4.16 105.19 106.63 2uua n GLY 88 Ca 0.00 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 2uua n GLY 88 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2uua s ARG 89 N -3.28 2.66 -0.34 1.61 1.04 -1.15 -2.61 118.95 116.88 2uua s ARG 89 Ca 0.00 -0.43 -0.07 0.00 -1.04 0.00 0.00 55.73 54.19 2uua s ARG 89 Cb 0.00 -2.39 0.04 0.00 -2.04 0.00 0.00 34.95 30.56 2uua s ARG 89 CO 0.00 -0.73 0.12 0.08 -0.04 0.00 0.00 175.30 174.73 2uua s VAL 90 N -2.87 3.92 0.51 4.99 1.01 -0.99 -4.95 120.40 122.02 2uua s VAL 90 Ca 0.55 -1.05 0.34 0.00 0.00 0.00 0.00 61.98 61.82 2uua s VAL 90 Cb -0.10 -3.20 0.34 0.00 0.00 0.00 0.00 36.38 33.42 2uua s VAL 90 CO 0.41 -0.17 2.05 0.50 0.00 0.00 0.00 175.10 177.89 2uua h LYS 91 N 8.26 0.00 0.00 2.72 3.11 -1.98 -2.63 116.57 126.05 2uua h LYS 91 Ca -0.24 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.60 2uua h LYS 91 Cb 1.09 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.32 2uua h LYS 91 CO 0.61 0.00 -0.95 -0.25 -2.81 0.00 0.00 179.45 176.05 2uua n ASP 92 N -2.83 0.81 -3.97 4.20 9.92 -1.26 -4.71 116.55 118.71 2uua n ASP 92 Ca -0.02 0.27 -0.30 0.00 -0.53 0.00 0.00 54.79 54.20 2uua n ASP 92 Cb 0.19 0.43 -0.14 0.00 -0.64 0.00 0.00 41.12 40.95 2uua n ASP 92 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2uua s LEU 93 N -5.11 4.44 0.22 0.64 1.43 -0.99 -1.18 118.68 118.13 2uua s LEU 93 Ca 0.01 -2.76 -0.31 0.00 -1.03 0.00 0.00 54.13 50.03 2uua s LEU 93 Cb 0.10 -1.63 -0.14 0.00 0.03 0.00 0.00 46.19 44.55 2uua s LEU 93 CO 0.78 -0.27 1.27 -2.65 0.23 0.00 0.00 176.35 175.71 2uua n PRO 94 N 3.44 1.64 -0.18 1.29 -0.02 -1.26 -1.72 135.00 138.20 2uua n PRO 94 Ca 0.05 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2uua n PRO 94 Cb 0.35 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2uua n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2uua n GLY 95 N 1.95 0.64 3.15 -1.23 0.00 -1.26 -5.05 105.19 103.40 2uua n GLY 95 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 2uua n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uua s VAL 96 N -2.29 2.56 0.00 1.61 1.01 -0.70 -4.62 120.40 117.97 2uua s VAL 96 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.82 2uua s VAL 96 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 34.07 2uua s VAL 96 CO 0.00 0.20 0.56 0.54 0.00 0.00 0.00 175.10 176.40 2uua n ARG 97 N 4.60 0.62 -4.06 2.72 1.74 -1.26 -2.34 116.66 118.68 2uua n ARG 97 Ca -0.17 -0.71 -0.13 0.00 -0.77 0.00 0.00 57.85 56.07 2uua n ARG 97 Cb 0.46 -0.81 -0.13 0.00 -1.02 0.00 0.00 32.46 30.97 2uua n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2uua s TYR 98 N -0.31 0.44 0.19 -1.55 1.51 -1.07 -1.03 117.35 115.53 2uua s TYR 98 Ca 0.00 -0.27 0.05 0.00 -1.01 0.00 0.00 57.07 55.84 2uua s TYR 98 Cb 0.00 -0.28 -0.04 0.00 -0.11 0.00 0.00 41.96 41.54 2uua s TYR 98 CO 0.00 -0.05 0.22 -1.01 -1.11 0.00 0.00 175.55 173.60 2uua s HIS 99 N -0.68 3.28 -0.02 2.71 3.76 -1.12 -0.31 115.29 122.90 2uua s HIS 99 Ca -0.04 -0.00 -0.11 0.00 -0.15 0.00 0.00 55.06 54.75 2uua s HIS 99 Cb -0.05 -1.54 -0.05 0.00 1.11 0.00 0.00 32.58 32.05 2uua s HIS 99 CO -0.00 0.51 0.32 0.42 -0.85 0.00 0.00 174.74 175.14 2uua s ILE 100 N -1.86 5.19 -0.35 0.60 1.01 0.56 -0.34 121.20 125.99 2uua s ILE 100 Ca 0.33 0.54 -0.24 0.00 0.00 0.00 0.00 60.65 61.28 2uua s ILE 100 Cb -0.10 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.78 2uua s ILE 100 CO 0.26 0.52 0.83 -0.69 0.00 0.00 0.00 174.94 175.86 2uua s VAL 101 N -1.14 4.69 -0.34 2.92 1.01 0.23 -4.57 120.40 123.20 2uua s VAL 101 Ca 0.23 1.05 -0.26 0.00 0.00 0.00 0.00 61.98 63.00 2uua s VAL 101 Cb -0.15 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 32.00 2uua s VAL 101 CO 0.12 -0.43 0.94 -0.13 0.00 0.00 0.00 175.10 175.60 2uua s ARG 102 N 3.20 3.92 0.00 2.72 0.52 -1.26 -3.29 118.95 124.77 2uua s ARG 102 Ca 0.34 0.71 0.00 0.00 -0.52 0.00 0.00 55.73 56.26 2uua s ARG 102 Cb -0.13 -3.77 0.00 0.00 0.52 0.00 0.00 34.95 31.57 2uua s ARG 102 CO 0.17 -0.88 0.00 0.41 0.02 0.00 0.00 175.30 175.01 2uua n GLY 103 N 4.21 0.17 3.16 -3.53 0.00 -0.93 -1.88 105.19 106.39 2uua n GLY 103 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2uua n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uua s VAL 104 N -0.75 1.71 0.00 1.61 1.01 -1.21 -4.93 120.40 117.84 2uua s VAL 104 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2uua s VAL 104 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.89 2uua s VAL 104 CO 0.00 0.48 0.00 -1.22 0.00 0.00 0.00 175.10 174.36 2uua n TYR 105 N 3.50 0.00 1.57 5.22 0.53 -1.26 -2.91 117.16 123.81 2uua n TYR 105 Ca -0.20 0.00 0.09 0.00 -1.02 0.00 0.00 57.90 56.77 2uua n TYR 105 Cb 0.53 0.03 0.51 0.00 -1.03 0.00 0.00 39.34 39.38 2uua n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 2uua n ASP 106 N 2.54 0.00 -4.40 7.72 10.43 -0.28 -4.60 116.55 127.96 2uua n ASP 106 Ca 0.00 -1.03 -0.44 0.00 2.57 0.00 0.00 54.79 55.89 2uua n ASP 106 Cb 0.00 0.00 -0.05 0.00 1.84 0.00 0.00 41.12 42.91 2uua n ASP 106 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2uua s ALA 107 N -2.00 3.42 0.55 2.24 0.00 -1.15 -4.74 121.76 120.09 2uua s ALA 107 Ca 0.26 -2.07 -0.21 0.00 0.00 0.00 0.00 51.96 49.94 2uua s ALA 107 Cb 0.12 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 2uua s ALA 107 CO 0.20 -2.21 1.28 0.00 0.00 0.00 0.00 175.76 175.04 2uua s ALA 108 N 2.60 2.73 -0.08 0.00 0.00 -1.26 -2.19 121.76 123.56 2uua s ALA 108 Ca 0.12 1.18 -0.25 0.00 0.00 0.00 0.00 51.96 53.02 2uua s ALA 108 Cb -0.23 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.35 2uua s ALA 108 CO 0.08 -1.23 0.76 0.20 0.00 0.00 0.00 175.76 175.57 2uua s GLY 109 N -1.21 2.54 -0.22 0.00 0.00 -1.26 -4.30 107.32 102.86 2uua s GLY 109 Ca 0.73 0.15 -0.30 0.00 0.00 0.00 0.00 44.72 45.30 2uua s GLY 109 CO 0.41 1.35 0.96 -0.62 0.00 0.00 0.00 173.10 175.20 2uua n VAL 110 N 4.02 0.00 -2.85 1.40 0.31 -0.93 -4.85 118.33 115.43 2uua n VAL 110 Ca 0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.04 2uua n VAL 110 Cb 0.51 -0.22 -0.03 0.00 -0.91 0.00 0.00 33.84 33.19 2uua n VAL 110 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2uua s LYS 111 N 1.33 3.75 -1.87 5.55 2.47 -1.26 -4.04 119.74 125.66 2uua s LYS 111 Ca 0.68 0.42 0.00 0.00 -1.56 0.00 0.00 55.97 55.51 2uua s LYS 111 Cb -0.96 -2.40 0.00 0.00 -1.46 0.00 0.00 37.83 33.01 2uua s LYS 111 CO 0.50 -0.05 0.00 -0.25 0.16 0.00 0.00 175.35 175.71 2uua n ASP 112 N -1.38 -5.29 -4.67 1.43 10.43 -1.26 -4.93 116.55 110.88 2uua n ASP 112 Ca 0.02 0.28 -0.40 0.00 2.57 0.00 0.00 54.79 57.25 2uua n ASP 112 Cb 0.54 -4.57 -0.05 0.00 1.84 0.00 0.00 41.12 38.87 2uua n ASP 112 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 2uua s ARG 113 N -4.26 4.26 -0.01 -1.24 3.00 -1.26 -4.93 118.95 114.51 2uua s ARG 113 Ca 0.00 0.77 0.05 0.00 -1.00 0.00 0.00 55.73 55.55 2uua s ARG 113 Cb 0.00 -3.56 -0.08 0.00 0.00 0.00 0.00 34.95 31.31 2uua s ARG 113 CO 0.00 -0.24 0.14 1.63 0.00 0.00 0.00 175.30 176.83 2uua n LYS 114 N 4.99 1.28 0.00 5.12 5.02 -1.26 -4.81 118.16 128.50 2uua n LYS 114 Ca 0.00 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2uua n LYS 114 Cb 0.50 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.46 2uua n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2uua n LYS 115 N -1.56 0.00 -0.01 1.97 5.02 -1.26 -4.66 118.16 117.66 2uua n LYS 115 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2uua n LYS 115 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.14 2uua n LYS 115 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2uua n SER 116 N 0.00 0.87 -0.23 4.39 7.64 -1.26 -4.58 113.62 120.46 2uua n SER 116 Ca 0.00 -0.60 0.11 0.00 1.01 0.00 0.00 58.87 59.39 2uua n SER 116 Cb 0.00 -0.15 0.21 0.00 -1.01 0.00 0.00 64.21 63.27 2uua n SER 116 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2uua n ARG 117 N 0.91 -0.05 -0.26 1.43 1.74 -1.26 -0.92 116.66 118.26 2uua n ARG 117 Ca 0.00 0.98 0.01 0.00 -0.77 0.00 0.00 57.85 58.07 2uua n ARG 117 Cb 0.14 -1.57 0.14 0.00 -1.02 0.00 0.00 32.46 30.15 2uua n ARG 117 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2uua h SER 118 N 0.00 0.54 -3.95 0.55 4.64 -1.81 -1.04 113.55 112.48 2uua h SER 118 Ca 0.42 0.05 -0.46 0.00 -0.47 0.00 0.00 61.79 61.33 2uua h SER 118 Cb 0.89 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 2uua h SER 118 CO -0.61 0.31 0.35 -0.54 -0.87 0.00 0.00 176.83 175.47 2uua s LYS 119 N -6.05 4.44 0.00 4.77 1.02 -0.09 -2.72 119.74 121.10 2uua s LYS 119 Ca -0.13 1.25 0.00 0.00 0.02 0.00 0.00 55.97 57.12 2uua s LYS 119 Cb 0.18 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.94 2uua s LYS 119 CO 0.77 0.15 0.00 0.66 -0.92 0.00 0.00 175.35 176.01 2uua n TYR 120 N 0.08 0.00 -3.44 3.18 4.02 -1.26 -4.53 117.16 115.22 2uua n TYR 120 Ca 0.04 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.74 2uua n TYR 120 Cb 0.52 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.84 2uua n TYR 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2uua n GLY 121 N -2.00 -1.03 2.90 2.72 0.00 -0.79 -2.19 105.19 104.80 2uua n GLY 121 Ca 0.00 0.74 -0.29 0.00 0.00 0.00 0.00 46.02 46.47 2uua n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uua s THR 122 N -2.68 1.26 0.66 2.61 2.01 -0.43 -4.24 115.64 114.84 2uua s THR 122 Ca 0.10 -0.96 -0.18 0.00 0.31 0.00 0.00 61.69 60.96 2uua s THR 122 Cb -0.01 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 2uua s THR 122 CO 0.84 -0.05 1.22 0.29 -0.69 0.00 0.00 174.62 176.23 2uua n LYS 123 N 4.78 0.99 -1.91 4.92 5.02 -1.26 -4.58 118.16 126.12 2uua n LYS 123 Ca -0.12 0.39 -0.42 0.00 -2.02 0.00 0.00 58.31 56.15 2uua n LYS 123 Cb 0.46 -2.46 -0.03 0.00 -0.02 0.00 0.00 35.03 32.98 2uua n LYS 123 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2uua s LYS 124 N -3.33 4.20 0.28 1.97 2.20 -1.26 -5.00 119.74 118.80 2uua s LYS 124 Ca 0.81 2.40 -0.17 0.00 -0.36 0.00 0.00 55.97 58.65 2uua s LYS 124 Cb -0.38 -3.13 -0.09 0.00 -1.51 0.00 0.00 37.83 32.73 2uua s LYS 124 CO 0.42 -0.60 0.74 -1.25 -0.36 0.00 0.00 175.35 174.31 2uua s PRO 125 N 0.74 4.12 -0.31 4.03 0.04 -1.26 -5.00 135.00 137.37 2uua s PRO 125 Ca 0.68 0.78 -0.29 0.00 0.04 0.00 0.00 61.00 62.21 2uua s PRO 125 Cb -0.45 -2.62 -0.01 0.00 0.04 0.00 0.00 34.50 31.47 2uua s PRO 125 CO 0.35 0.25 1.48 -1.59 0.04 0.00 0.00 177.00 177.53 2uua s LYS 126 N -2.55 3.73 0.05 4.56 0.00 -1.26 -5.00 119.74 119.28 2uua s LYS 126 Ca 0.50 1.32 -0.26 0.00 0.00 0.00 0.00 55.97 57.53 2uua s LYS 126 Cb -0.13 -4.00 -0.05 0.00 0.00 0.00 0.00 37.83 33.65 2uua s LYS 126 CO 0.19 -1.36 0.79 -1.83 0.00 0.00 0.00 175.35 173.14 2uua s GLU 127 N 4.67 4.52 -0.29 1.78 -1.05 -1.26 -4.99 118.70 122.07 2uua s GLU 127 Ca 0.65 1.12 -0.16 0.00 -0.15 0.00 0.00 54.97 56.42 2uua s GLU 127 Cb -0.19 -3.37 0.17 0.00 -0.44 0.00 0.00 34.13 30.31 2uua s GLU 127 CO 0.28 0.27 1.09 0.00 0.95 0.00 0.00 175.26 177.85 2uua s ALA 128 N -0.04 -2.56 0.00 -0.84 0.00 -1.26 -5.34 121.76 111.72 2uua s ALA 128 Ca 0.40 2.08 0.00 0.00 0.00 0.00 0.00 51.96 54.43 2uua s ALA 128 Cb -0.21 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.01 2uua s ALA 128 CO 0.24 -0.50 0.00 0.00 0.00 0.00 0.00 175.76 175.50