#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5a n THR 5 N 0.00 0.00 -0.02 0.52 -2.24 -1.26 -5.03 114.28 106.25 3d5a n THR 5 Ca 0.00 -0.57 -0.13 0.00 -2.27 0.00 0.00 64.05 61.08 3d5a n THR 5 Cb 0.00 -0.32 -0.10 0.00 -2.10 0.00 0.00 70.33 67.81 3d5a n THR 5 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3d5a h ILE 6 N 0.60 1.42 -0.82 2.28 2.04 -2.05 -3.18 117.51 117.79 3d5a h ILE 6 Ca -0.09 -1.59 0.08 0.00 1.00 0.00 0.00 64.86 64.27 3d5a h ILE 6 Cb 0.33 2.45 -0.06 0.00 -0.74 0.00 0.00 36.82 38.81 3d5a h ILE 6 CO 0.15 0.39 0.54 0.78 0.00 0.00 0.00 178.15 180.01 3d5a h ASN 7 N -0.75 0.74 -0.92 1.72 2.35 -1.98 0.12 115.58 116.86 3d5a h ASN 7 Ca -0.00 0.01 0.09 0.00 -0.55 0.00 0.00 56.30 55.85 3d5a h ASN 7 Cb 0.67 -0.14 -0.07 0.00 0.05 0.00 0.00 38.32 38.83 3d5a h ASN 7 CO 0.01 0.45 0.56 1.56 -1.65 0.00 0.00 177.43 178.36 3d5a h GLN 8 N 0.82 0.93 -0.15 0.81 4.20 -1.96 0.19 115.11 119.94 3d5a h GLN 8 Ca 0.37 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.86 3d5a h GLN 8 Cb 0.36 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 27.93 3d5a h GLN 8 CO -0.14 0.61 -0.54 -0.07 -0.67 0.00 0.00 178.83 178.02 3d5a h LEU 9 N 0.95 0.74 -1.09 1.46 3.38 -1.06 0.15 115.31 119.85 3d5a h LEU 9 Ca 0.43 -0.61 0.15 0.00 0.09 0.00 0.00 57.88 57.94 3d5a h LEU 9 Cb 0.33 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.78 3d5a h LEU 9 CO -0.23 1.22 0.61 0.58 0.09 0.00 0.00 178.44 180.72 3d5a h VAL 10 N 0.30 0.83 0.00 1.22 2.07 0.23 -3.16 116.25 117.74 3d5a h VAL 10 Ca -0.02 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3d5a h VAL 10 Cb 1.16 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3d5a h VAL 10 CO 0.11 0.15 0.00 0.54 0.02 0.00 0.00 177.57 178.40 3d5a n ARG 11 N -4.64 0.00 0.00 1.57 1.74 0.55 -4.87 116.66 111.00 3d5a n ARG 11 Ca 0.20 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 3d5a n ARG 11 Cb 0.46 -0.31 0.00 0.00 -1.02 0.00 0.00 32.46 31.59 3d5a n ARG 11 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3d5a n LYS 12 N -1.21 0.00 0.00 5.56 4.81 0.53 -5.05 118.16 122.80 3d5a n LYS 12 Ca 0.00 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 3d5a n LYS 12 Cb 0.00 -0.80 0.00 0.00 0.02 0.00 0.00 35.03 34.25 3d5a n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3d5a n GLY 13 N -0.36 2.59 3.72 3.14 0.00 -1.18 -4.98 105.19 108.12 3d5a n GLY 13 Ca 0.00 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 3d5a n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d5a s ARG 14 N -3.57 4.21 -0.05 1.61 1.81 -1.26 -4.95 118.95 116.74 3d5a s ARG 14 Ca 0.00 2.36 -0.30 0.00 -1.72 0.00 0.00 55.73 56.07 3d5a s ARG 14 Cb 0.00 -3.17 -0.03 0.00 -0.45 0.00 0.00 34.95 31.30 3d5a s ARG 14 CO 0.00 -0.61 1.17 -2.00 -0.68 0.00 0.00 175.30 173.17 3d5a s GLU 15 N 1.19 4.37 0.31 3.54 2.12 -1.26 -4.99 118.70 123.99 3d5a s GLU 15 Ca 0.70 1.63 -0.29 0.00 0.36 0.00 0.00 54.97 57.37 3d5a s GLU 15 Cb -0.44 -3.54 -0.10 0.00 0.26 0.00 0.00 34.13 30.31 3d5a s GLU 15 CO 0.31 -0.41 1.41 0.21 -0.54 0.00 0.00 175.26 176.25 3d5a s LYS 16 N 2.09 4.26 0.00 4.30 2.36 -1.26 -4.97 119.74 126.51 3d5a s LYS 16 Ca 0.55 2.35 0.00 0.00 -2.55 0.00 0.00 55.97 56.32 3d5a s LYS 16 Cb -0.24 -3.06 0.00 0.00 -1.05 0.00 0.00 37.83 33.48 3d5a s LYS 16 CO 0.22 -0.38 0.46 1.33 1.55 0.00 0.00 175.35 178.53 3d5a n VAL 17 N 1.38 0.00 -1.65 4.02 0.24 -1.26 -5.03 118.33 116.03 3d5a n VAL 17 Ca 0.03 0.96 0.00 0.00 -2.04 0.00 0.00 64.34 63.29 3d5a n VAL 17 Cb 0.40 -1.86 0.00 0.00 -1.47 0.00 0.00 33.84 30.92 3d5a n VAL 17 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3d5a n ARG 18 N -0.56 -3.44 -4.81 7.34 0.63 -1.26 -5.06 116.66 109.50 3d5a n ARG 18 Ca 0.00 2.64 -0.25 0.00 -0.92 0.00 0.00 57.85 59.32 3d5a n ARG 18 Cb 0.00 -2.91 -0.16 0.00 0.45 0.00 0.00 32.46 29.84 3d5a n ARG 18 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3d5a s LYS 19 N -1.34 1.53 0.55 -0.14 0.00 -1.26 -5.14 119.74 113.93 3d5a s LYS 19 Ca 0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 55.97 55.28 3d5a s LYS 19 Cb 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 37.83 36.38 3d5a s LYS 19 CO 0.00 0.31 0.92 0.15 0.00 0.00 0.00 175.35 176.73 3d5a s LYS 20 N -0.21 3.61 0.48 1.78 1.02 -1.26 -5.05 119.74 120.12 3d5a s LYS 20 Ca 0.02 0.53 -0.20 0.00 0.02 0.00 0.00 55.97 56.35 3d5a s LYS 20 Cb -0.09 -2.22 -0.09 0.00 -0.52 0.00 0.00 37.83 34.92 3d5a s LYS 20 CO 0.00 -0.38 1.01 0.45 -0.92 0.00 0.00 175.35 175.52 3d5a s SER 21 N -4.01 6.51 0.00 2.83 0.15 -1.26 -4.94 113.70 112.98 3d5a s SER 21 Ca 0.52 1.80 0.29 0.00 0.70 0.00 0.00 55.95 59.26 3d5a s SER 21 Cb -0.11 -2.55 1.35 0.00 -1.71 0.00 0.00 66.02 63.01 3d5a s SER 21 CO 0.48 -0.66 1.92 0.29 1.20 0.00 0.00 173.24 176.46 3d5a n LYS 22 N -1.03 1.24 -3.43 5.44 5.02 -1.26 -4.72 118.16 119.42 3d5a n LYS 22 Ca 0.08 -0.50 -0.15 0.00 -2.02 0.00 0.00 58.31 55.73 3d5a n LYS 22 Cb 0.53 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.95 3d5a n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3d5a s VAL 23 N -2.10 -0.44 -1.18 -0.18 1.01 -1.26 -4.99 120.40 111.26 3d5a s VAL 23 Ca 0.39 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 62.04 3d5a s VAL 23 Cb 0.21 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 3d5a s VAL 23 CO 0.38 -0.21 2.06 -2.65 0.00 0.00 0.00 175.10 174.68 3d5a n PRO 24 N 5.33 2.33 -2.27 2.72 -0.02 -1.26 -4.74 135.00 137.09 3d5a n PRO 24 Ca -0.04 -2.38 -0.32 0.00 -2.02 0.00 0.00 63.50 58.74 3d5a n PRO 24 Cb 0.49 -3.20 0.02 0.00 -0.02 0.00 0.00 33.50 30.79 3d5a n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d5a n ALA 25 N 7.23 5.62 -0.99 3.55 0.00 -1.26 -5.06 120.51 129.60 3d5a n ALA 25 Ca 0.51 -4.25 0.00 0.00 0.00 0.00 0.00 53.44 49.70 3d5a n ALA 25 Cb 0.41 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3d5a n ALA 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3d5a n LEU 26 N -0.50 0.00 -1.02 0.00 7.99 -1.26 -2.74 117.00 119.46 3d5a n LEU 26 Ca 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.45 3d5a n LEU 26 Cb 0.50 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.81 3d5a n LEU 26 CO 0.40 0.00 0.29 0.29 -1.51 0.00 0.00 177.39 176.86 3d5a n LYS 27 N 14.00 0.57 -1.09 3.23 5.02 -1.26 -4.59 118.16 134.04 3d5a n LYS 27 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 3d5a n LYS 27 Cb 0.00 -1.22 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 3d5a n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d5a n GLY 28 N 0.75 0.71 3.47 0.72 0.00 -1.11 -4.83 105.19 104.91 3d5a n GLY 28 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 3d5a n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5a n ALA 29 N 0.77 -2.36 -0.35 4.61 0.00 -1.22 -4.80 120.51 117.16 3d5a n ALA 29 Ca -0.07 0.47 -0.02 0.00 0.00 0.00 0.00 53.44 53.82 3d5a n ALA 29 Cb 0.44 -1.76 0.04 0.00 0.00 0.00 0.00 19.45 18.17 3d5a n ALA 29 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3d5a h PRO 30 N 1.91 -0.03 -3.47 0.00 0.11 -1.92 -3.41 132.00 125.18 3d5a h PRO 30 Ca -0.37 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.59 3d5a h PRO 30 Cb 1.41 0.01 -0.22 0.00 0.11 0.00 0.00 31.00 32.30 3d5a h PRO 30 CO 0.61 -0.02 -0.51 -0.06 -0.21 0.00 0.00 178.00 177.82 3d5a s PHE 31 N -5.97 -0.02 0.03 0.65 0.40 -1.26 -4.76 117.98 107.05 3d5a s PHE 31 Ca -0.14 0.03 0.03 0.00 -0.60 0.00 0.00 56.93 56.26 3d5a s PHE 31 Cb 0.20 -0.02 -0.04 0.00 0.51 0.00 0.00 43.02 43.67 3d5a s PHE 31 CO 0.71 -0.22 -0.04 0.50 0.70 0.00 0.00 175.22 176.87 3d5a s ARG 32 N -0.94 2.59 0.00 0.44 6.06 -1.23 -4.86 118.95 121.02 3d5a s ARG 32 Ca -0.10 -0.74 -0.04 0.00 -2.50 0.00 0.00 55.73 52.35 3d5a s ARG 32 Cb -0.06 -2.54 -0.04 0.00 0.06 0.00 0.00 34.95 32.37 3d5a s ARG 32 CO 0.01 0.59 0.22 0.50 -2.50 0.00 0.00 175.30 174.12 3d5a s ARG 33 N -1.70 3.50 0.25 5.12 3.52 -1.26 -0.94 118.95 127.44 3d5a s ARG 33 Ca 0.20 -0.21 -0.21 0.00 -0.13 0.00 0.00 55.73 55.38 3d5a s ARG 33 Cb -0.11 -3.08 0.04 0.00 -1.56 0.00 0.00 34.95 30.24 3d5a s ARG 33 CO 0.11 0.66 0.83 0.20 -0.81 0.00 0.00 175.30 176.28 3d5a s GLY 34 N -1.84 -0.04 -0.21 8.12 0.00 -0.78 -2.26 107.32 110.31 3d5a s GLY 34 Ca 0.28 -0.25 -0.06 0.00 0.00 0.00 0.00 44.72 44.68 3d5a s GLY 34 CO 0.18 0.09 0.02 0.14 0.00 0.00 0.00 173.10 173.53 3d5a s VAL 35 N -3.34 4.08 -0.09 1.40 1.01 -1.10 -1.56 120.40 120.79 3d5a s VAL 35 Ca 0.13 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 3d5a s VAL 35 Cb -0.04 -2.86 -0.06 0.00 0.00 0.00 0.00 36.38 33.42 3d5a s VAL 35 CO 0.06 0.40 1.79 0.00 0.00 0.00 0.00 175.10 177.35 3d5a h THR 37 N 5.92 0.00 -3.36 0.00 1.03 -1.24 -3.21 112.91 112.05 3d5a h THR 37 Ca -0.41 -0.82 -0.66 0.00 -0.01 0.00 0.00 66.41 64.51 3d5a h THR 37 Cb 1.19 0.00 -0.17 0.00 -1.07 0.00 0.00 68.15 68.10 3d5a h THR 37 CO 0.96 0.00 -0.64 -0.69 -0.01 0.00 0.00 175.52 175.14 3d5a s VAL 38 N -1.95 4.16 -0.48 0.00 1.01 -1.20 -4.59 120.40 117.35 3d5a s VAL 38 Ca -0.11 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.61 3d5a s VAL 38 Cb 0.01 -2.77 0.14 0.00 0.00 0.00 0.00 36.38 33.76 3d5a s VAL 38 CO 0.16 0.56 0.27 -0.69 0.00 0.00 0.00 175.10 175.40 3d5a s VAL 39 N -0.43 1.82 0.18 2.92 1.01 -1.26 -1.24 120.40 123.39 3d5a s VAL 39 Ca 0.08 -2.93 0.03 0.00 0.00 0.00 0.00 61.98 59.16 3d5a s VAL 39 Cb -0.12 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 3d5a s VAL 39 CO 0.02 -0.89 -0.04 -0.60 0.00 0.00 0.00 175.10 173.59 3d5a s ARG 40 N -0.00 1.15 -0.25 2.72 3.00 -0.94 -5.01 118.95 119.62 3d5a s ARG 40 Ca 0.19 -1.54 -0.08 0.00 -1.00 0.00 0.00 55.73 53.30 3d5a s ARG 40 Cb -0.22 -0.52 -0.03 0.00 0.00 0.00 0.00 34.95 34.18 3d5a s ARG 40 CO -0.02 -0.04 0.08 -0.08 0.00 0.00 0.00 175.30 175.25 3d5a s THR 41 N -3.45 4.47 0.05 4.11 -1.32 -1.26 -1.48 115.64 116.76 3d5a s THR 41 Ca 0.22 -0.12 0.02 0.00 -1.21 0.00 0.00 61.69 60.61 3d5a s THR 41 Cb 0.05 -3.09 -0.04 0.00 -1.51 0.00 0.00 72.50 67.91 3d5a s THR 41 CO 0.04 0.33 0.06 0.68 -2.21 0.00 0.00 174.62 173.52 3d5a s VAL 42 N 1.55 4.45 0.32 5.08 -7.23 -0.45 -4.82 120.40 119.30 3d5a s VAL 42 Ca 0.06 -0.71 -0.27 0.00 -1.81 0.00 0.00 61.98 59.26 3d5a s VAL 42 Cb -0.15 -3.10 -0.10 0.00 0.56 0.00 0.00 36.38 33.59 3d5a s VAL 42 CO 0.04 0.20 0.97 0.42 -0.31 0.00 0.00 175.10 176.43 3d5a s THR 43 N -1.30 4.06 0.00 5.32 -4.23 -1.26 -0.12 115.64 118.10 3d5a s THR 43 Ca 0.26 1.76 0.00 0.00 -1.18 0.00 0.00 61.69 62.53 3d5a s THR 43 Cb -0.12 -4.00 0.00 0.00 1.34 0.00 0.00 72.50 69.72 3d5a s THR 43 CO 0.18 0.19 0.00 -2.65 -0.54 0.00 0.00 174.62 171.80 3d5a n PRO 44 N 0.64 -1.00 0.00 3.99 -0.02 -1.26 -4.90 135.00 132.45 3d5a n PRO 44 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3d5a n PRO 44 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 3d5a n PRO 44 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3d5a n LYS 45 N -1.36 0.00 0.04 -0.52 5.02 -0.67 -4.94 118.16 115.73 3d5a n LYS 45 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 3d5a n LYS 45 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 3d5a n LYS 45 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3d5a h LYS 46 N 0.00 -0.15 -0.00 1.97 3.64 -1.94 -3.38 116.57 116.71 3d5a h LYS 46 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3d5a h LYS 46 Cb 0.00 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3d5a h LYS 46 CO 0.00 -0.10 -0.26 -2.30 -2.27 0.00 0.00 179.45 174.53 3d5a n PRO 47 N -3.25 0.28 -4.51 1.90 -0.02 -1.26 -4.92 135.00 123.21 3d5a n PRO 47 Ca -0.02 -0.12 -0.24 0.00 -2.02 0.00 0.00 63.50 61.10 3d5a n PRO 47 Cb 0.06 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.94 3d5a n PRO 47 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3d5a s ASN 48 N -2.80 3.10 -0.29 2.55 0.02 -1.26 -5.13 114.94 111.13 3d5a s ASN 48 Ca 0.18 -1.32 0.02 0.00 -1.02 0.00 0.00 52.86 50.72 3d5a s ASN 48 Cb 0.19 -0.24 0.20 0.00 0.02 0.00 0.00 41.25 41.42 3d5a s ASN 48 CO 0.58 -0.47 0.67 -0.94 0.02 0.00 0.00 177.10 176.97 3d5a s SER 49 N -3.57 -1.39 -0.40 -1.22 1.04 -1.26 -4.21 113.70 102.69 3d5a s SER 49 Ca 0.34 0.25 0.08 0.00 0.48 0.00 0.00 55.95 57.11 3d5a s SER 49 Cb 0.08 1.92 0.37 0.00 0.10 0.00 0.00 66.02 68.49 3d5a s SER 49 CO 0.16 -0.26 1.34 0.00 0.98 0.00 0.00 173.24 175.46 3d5a n ALA 50 N 5.38 0.97 -0.64 5.32 0.00 -1.26 -4.99 120.51 125.28 3d5a n ALA 50 Ca 0.05 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.24 3d5a n ALA 50 Cb 0.54 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3d5a n ALA 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3d5a n LEU 51 N -0.56 -0.35 -4.66 0.00 4.32 -1.26 -4.82 117.00 109.66 3d5a n LEU 51 Ca -0.04 0.05 -0.41 0.00 -0.02 0.00 0.00 56.01 55.59 3d5a n LEU 51 Cb 0.83 -0.14 -0.05 0.00 -1.62 0.00 0.00 43.42 42.44 3d5a n LEU 51 CO -0.08 -0.16 0.54 -0.13 -1.22 0.00 0.00 177.39 176.34 3d5a s ARG 52 N -0.07 4.26 -0.51 3.23 3.00 0.83 -4.83 118.95 124.85 3d5a s ARG 52 Ca 0.00 0.88 -0.27 0.00 0.00 0.00 0.00 55.73 56.33 3d5a s ARG 52 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 34.95 31.35 3d5a s ARG 52 CO 0.00 -0.32 1.78 0.15 0.00 0.00 0.00 175.30 176.91 3d5a s LYS 53 N 2.15 2.95 0.36 3.54 3.01 -1.26 -1.34 119.74 129.15 3d5a s LYS 53 Ca 0.35 0.86 0.09 0.00 -1.01 0.00 0.00 55.97 56.26 3d5a s LYS 53 Cb -0.16 -4.29 -0.06 0.00 -1.01 0.00 0.00 37.83 32.31 3d5a s LYS 53 CO 0.11 -2.33 -0.00 0.08 0.51 0.00 0.00 175.35 173.72 3d5a s VAL 54 N 7.95 2.38 -0.23 3.17 1.01 -0.55 -1.31 120.40 132.81 3d5a s VAL 54 Ca 0.69 -2.02 -0.09 0.00 0.00 0.00 0.00 61.98 60.57 3d5a s VAL 54 Cb -0.15 -2.81 0.10 0.00 0.00 0.00 0.00 36.38 33.52 3d5a s VAL 54 CO 0.26 -0.15 0.52 0.00 0.00 0.00 0.00 175.10 175.73 3d5a s ALA 55 N -2.58 -1.50 0.29 5.51 0.00 0.76 -2.22 121.76 122.03 3d5a s ALA 55 Ca 0.35 1.87 -0.29 0.00 0.00 0.00 0.00 51.96 53.89 3d5a s ALA 55 Cb 0.03 -1.42 -0.10 0.00 0.00 0.00 0.00 23.12 21.63 3d5a s ALA 55 CO 0.19 -0.70 1.23 0.15 0.00 0.00 0.00 175.76 176.63 3d5a s LYS 56 N 2.42 4.47 -0.20 0.00 1.02 -0.38 -0.76 119.74 126.31 3d5a s LYS 56 Ca -0.05 2.04 -0.02 0.00 0.02 0.00 0.00 55.97 57.96 3d5a s LYS 56 Cb -0.11 -3.13 0.06 0.00 -0.52 0.00 0.00 37.83 34.13 3d5a s LYS 56 CO -0.15 -0.05 0.02 0.08 -0.92 0.00 0.00 175.35 174.33 3d5a s VAL 57 N -0.97 0.70 -0.73 3.17 1.01 0.25 -0.92 120.40 122.90 3d5a s VAL 57 Ca 0.48 -0.65 -0.26 0.00 0.00 0.00 0.00 61.98 61.55 3d5a s VAL 57 Cb -0.36 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 34.87 3d5a s VAL 57 CO 0.46 -0.18 1.62 -0.60 0.00 0.00 0.00 175.10 176.40 3d5a s ARG 58 N 1.78 2.92 0.99 2.72 3.52 -0.93 -2.69 118.95 127.26 3d5a s ARG 58 Ca -0.02 0.02 -0.13 0.00 -0.13 0.00 0.00 55.73 55.48 3d5a s ARG 58 Cb -0.17 -4.48 0.07 0.00 -1.56 0.00 0.00 34.95 28.81 3d5a s ARG 58 CO -0.08 -2.54 0.45 1.28 -0.81 0.00 0.00 175.30 173.61 3d5a n LEU 59 N 11.26 -0.22 0.12 -0.88 7.99 -0.83 -2.71 117.00 131.74 3d5a n LEU 59 Ca 0.17 0.24 0.13 0.00 -0.01 0.00 0.00 56.01 56.54 3d5a n LEU 59 Cb 0.50 -1.20 0.35 0.00 -0.11 0.00 0.00 43.42 42.96 3d5a n LEU 59 CO 0.69 -3.36 0.82 0.71 -1.51 0.00 0.00 177.39 174.75 3d5a h THR 60 N -1.74 0.00 -0.18 -5.08 1.35 -1.78 -3.21 112.91 102.28 3d5a h THR 60 Ca -0.46 -0.55 -0.03 0.00 -0.55 0.00 0.00 66.41 64.83 3d5a h THR 60 Cb 1.30 1.51 -0.02 0.00 -1.73 0.00 0.00 68.15 69.21 3d5a h THR 60 CO 0.36 0.00 0.03 -1.54 -0.25 0.00 0.00 175.52 174.13 3d5a n SER 61 N -2.36 2.45 0.00 5.36 3.41 -1.26 -4.85 113.62 116.36 3d5a n SER 61 Ca 0.05 -2.28 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 3d5a n SER 61 Cb 0.45 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 3d5a n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d5a n GLY 62 N 0.15 1.48 1.96 5.00 0.00 -1.21 -5.02 105.19 107.55 3d5a n GLY 62 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 3d5a n GLY 62 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3d5a n TYR 63 N -2.00 -3.40 -3.14 1.61 4.02 -1.26 -4.90 117.16 108.09 3d5a n TYR 63 Ca 0.00 -0.81 0.04 0.00 -0.01 0.00 0.00 57.90 57.12 3d5a n TYR 63 Cb 0.00 -0.41 -0.00 0.00 -0.02 0.00 0.00 39.34 38.91 3d5a n TYR 63 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3d5a s GLU 64 N -3.96 0.53 0.34 -0.72 -6.30 -1.26 -1.97 118.70 105.36 3d5a s GLU 64 Ca 0.35 0.29 0.03 0.00 -2.50 0.00 0.00 54.97 53.14 3d5a s GLU 64 Cb -0.02 0.18 -0.05 0.00 0.00 0.00 0.00 34.13 34.24 3d5a s GLU 64 CO 0.24 -0.92 0.08 0.08 0.02 0.00 0.00 175.26 174.76 3d5a s VAL 65 N 2.61 0.95 -0.14 3.70 1.01 -1.09 -4.92 120.40 122.50 3d5a s VAL 65 Ca 0.14 -2.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.07 3d5a s VAL 65 Cb -0.07 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 3d5a s VAL 65 CO -0.21 0.00 0.03 0.42 0.00 0.00 0.00 175.10 175.34 3d5a s THR 66 N -3.33 4.56 0.09 3.92 -4.23 -1.26 0.85 115.64 116.24 3d5a s THR 66 Ca 0.33 -0.13 0.07 0.00 -1.18 0.00 0.00 61.69 60.78 3d5a s THR 66 Cb 0.07 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.87 3d5a s THR 66 CO 0.15 0.52 -0.19 0.00 -0.54 0.00 0.00 174.62 174.56 3d5a s ALA 67 N -0.12 1.66 -0.21 3.99 0.00 0.06 -4.07 121.76 123.07 3d5a s ALA 67 Ca 0.06 -1.18 -0.09 0.00 0.00 0.00 0.00 51.96 50.74 3d5a s ALA 67 Cb -0.12 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 3d5a s ALA 67 CO 0.02 0.32 0.12 -0.47 0.00 0.00 0.00 175.76 175.75 3d5a s TYR 68 N -1.16 3.33 -0.42 0.00 5.04 -1.06 -0.17 117.35 122.91 3d5a s TYR 68 Ca 0.05 0.21 -0.21 0.00 -2.44 0.00 0.00 57.07 54.68 3d5a s TYR 68 Cb -0.10 -2.18 0.02 0.00 0.35 0.00 0.00 41.96 40.06 3d5a s TYR 68 CO 0.04 0.17 0.63 0.42 -1.34 0.00 0.00 175.55 175.47 3d5a s ILE 69 N 0.61 4.85 0.00 3.14 1.09 -0.43 -2.74 121.20 127.71 3d5a s ILE 69 Ca 0.07 0.17 0.00 0.00 -1.10 0.00 0.00 60.65 59.79 3d5a s ILE 69 Cb -0.12 -4.18 0.00 0.00 -1.06 0.00 0.00 42.46 37.10 3d5a s ILE 69 CO 0.01 -0.55 0.00 -2.65 -0.10 0.00 0.00 174.94 171.65 3d5a n PRO 70 N 6.21 1.53 -1.40 2.79 -0.02 -1.26 -4.66 135.00 138.19 3d5a n PRO 70 Ca -0.02 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.65 3d5a n PRO 70 Cb 0.48 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.90 3d5a n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d5a n GLY 71 N 3.20 -2.15 3.43 -1.23 0.00 -1.26 -4.46 105.19 102.72 3d5a n GLY 71 Ca 0.00 -1.05 -0.44 0.00 0.00 0.00 0.00 46.02 44.53 3d5a n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d5a s GLU 72 N -2.73 3.74 0.19 1.61 2.02 -1.26 -4.93 118.70 117.35 3d5a s GLU 72 Ca 0.00 -2.12 0.00 0.00 0.02 0.00 0.00 54.97 52.87 3d5a s GLU 72 Cb 0.00 -4.86 0.00 0.00 0.10 0.00 0.00 34.13 29.37 3d5a s GLU 72 CO 0.00 -1.67 0.00 0.41 0.02 0.00 0.00 175.26 174.02 3d5a n GLY 73 N 4.82 -2.80 0.00 -1.39 0.00 -1.26 -4.83 105.19 99.73 3d5a n GLY 73 Ca 0.25 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3d5a n GLY 73 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3d5a n HIS 74 N -0.33 -0.14 -2.72 1.61 1.44 -1.26 -4.94 115.22 108.88 3d5a n HIS 74 Ca 0.00 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.63 3d5a n HIS 74 Cb 0.00 0.00 0.09 0.00 0.12 0.00 0.00 29.99 30.20 3d5a n HIS 74 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 3d5a n ASN 75 N -0.14 -0.95 -4.35 4.39 6.94 -1.26 -5.06 115.26 114.83 3d5a n ASN 75 Ca 0.00 -2.68 -0.34 0.00 -0.02 0.00 0.00 54.58 51.54 3d5a n ASN 75 Cb 0.00 0.64 -0.14 0.00 -2.36 0.00 0.00 39.78 37.92 3d5a n ASN 75 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3d5a s LEU 76 N -3.04 2.84 0.00 -4.53 1.02 -1.26 -4.81 118.68 108.90 3d5a s LEU 76 Ca 0.24 -0.34 0.00 0.00 0.02 0.00 0.00 54.13 54.05 3d5a s LEU 76 Cb 0.40 -1.68 0.00 0.00 0.02 0.00 0.00 46.19 44.93 3d5a s LEU 76 CO -0.05 0.08 0.00 0.00 0.02 0.00 0.00 176.35 176.40 3d5a n GLN 77 N 4.12 3.97 0.00 1.70 6.02 -1.26 -4.89 117.38 127.04 3d5a n GLN 77 Ca -0.18 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 56.96 3d5a n GLN 77 Cb 0.52 0.00 0.75 0.00 1.02 0.00 0.00 30.24 32.53 3d5a n GLN 77 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3d5a n GLU 78 N 0.00 0.69 -0.29 -1.09 2.13 -1.26 -3.71 120.64 117.11 3d5a n GLU 78 Ca 0.00 -0.11 0.01 0.00 0.66 0.00 0.00 57.16 57.72 3d5a n GLU 78 Cb 0.00 -1.50 0.01 0.00 0.27 0.00 0.00 31.44 30.23 3d5a n GLU 78 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3d5a n HIS 79 N -1.06 0.00 -2.05 4.31 8.25 -1.21 -4.40 115.22 119.06 3d5a n HIS 79 Ca 0.17 -0.12 -0.37 0.00 -0.26 0.00 0.00 57.72 57.14 3d5a n HIS 79 Cb 0.22 -0.04 0.02 0.00 1.12 0.00 0.00 29.99 31.31 3d5a n HIS 79 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3d5a s SER 80 N -0.88 5.49 0.15 0.41 0.01 -1.24 -4.71 113.70 112.93 3d5a s SER 80 Ca 0.03 2.42 0.05 0.00 1.31 0.00 0.00 55.95 59.76 3d5a s SER 80 Cb 0.03 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 3d5a s SER 80 CO 0.00 -1.39 0.14 0.68 0.41 0.00 0.00 173.24 173.08 3d5a s VAL 81 N -1.54 4.53 0.11 3.43 -7.23 -1.26 1.00 120.40 119.44 3d5a s VAL 81 Ca 0.73 -1.02 -0.26 0.00 -1.81 0.00 0.00 61.98 59.61 3d5a s VAL 81 Cb -0.31 -3.30 0.08 0.00 0.56 0.00 0.00 36.38 33.41 3d5a s VAL 81 CO 0.36 -0.08 1.06 0.54 -0.31 0.00 0.00 175.10 176.67 3d5a s VAL 82 N -1.70 0.00 0.15 1.32 0.11 -0.60 -2.85 120.40 116.83 3d5a s VAL 82 Ca 0.31 -0.53 0.07 0.00 -2.93 0.00 0.00 61.98 58.89 3d5a s VAL 82 Cb -0.10 -2.07 -0.04 0.00 -1.53 0.00 0.00 36.38 32.63 3d5a s VAL 82 CO 0.23 0.00 0.01 -0.76 -3.33 0.00 0.00 175.10 171.25 3d5a s LEU 83 N -3.00 3.38 -0.24 2.54 1.43 -1.26 -1.86 118.68 119.67 3d5a s LEU 83 Ca 0.14 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 52.84 3d5a s LEU 83 Cb 0.00 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 3d5a s LEU 83 CO 0.01 0.11 0.06 -0.63 0.23 0.00 0.00 176.35 176.13 3d5a s ILE 84 N -1.63 4.32 0.08 -0.59 1.09 -0.12 -1.30 121.20 123.05 3d5a s ILE 84 Ca 0.27 -0.17 -0.15 0.00 -1.10 0.00 0.00 60.65 59.50 3d5a s ILE 84 Cb -0.10 -3.01 -0.16 0.00 -1.06 0.00 0.00 42.46 38.13 3d5a s ILE 84 CO 0.19 0.35 1.29 -0.09 -0.10 0.00 0.00 174.94 176.58 3d5a h ARG 85 N 8.07 0.68 -2.07 2.79 2.43 -1.27 -3.25 114.38 121.76 3d5a h ARG 85 Ca -0.38 -0.52 0.00 0.00 -0.81 0.00 0.00 59.98 58.27 3d5a h ARG 85 Cb 1.18 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3d5a h ARG 85 CO 0.59 1.14 0.00 0.41 -1.51 0.00 0.00 179.97 180.60 3d5a n GLY 86 N 0.64 -1.97 0.00 2.80 0.00 -1.24 -4.82 105.19 100.59 3d5a n GLY 86 Ca -0.07 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3d5a n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5a n GLY 87 N 0.23 0.48 3.70 -0.02 0.00 -1.24 -4.68 105.19 103.67 3d5a n GLY 87 Ca 0.00 0.64 -0.29 0.00 0.00 0.00 0.00 46.02 46.37 3d5a n GLY 87 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3d5a s ARG 88 N 0.00 0.74 -0.25 1.61 1.70 -1.25 -2.76 118.95 118.74 3d5a s ARG 88 Ca 0.00 0.56 0.01 0.00 -0.47 0.00 0.00 55.73 55.83 3d5a s ARG 88 Cb 0.00 -1.77 0.06 0.00 -0.57 0.00 0.00 34.95 32.67 3d5a s ARG 88 CO 0.00 -2.53 -0.06 0.08 -1.08 0.00 0.00 175.30 171.71 3d5a s VAL 89 N -3.00 1.70 -2.00 4.99 1.01 -0.80 -4.92 120.40 117.38 3d5a s VAL 89 Ca 0.65 -1.38 0.07 0.00 0.00 0.00 0.00 61.98 61.32 3d5a s VAL 89 Cb -0.18 -1.95 0.20 0.00 0.00 0.00 0.00 36.38 34.45 3d5a s VAL 89 CO 0.57 -0.12 0.86 0.29 0.00 0.00 0.00 175.10 176.69 3d5a n LYS 90 N 4.60 0.25 0.00 2.72 4.76 -1.26 -1.29 118.16 127.93 3d5a n LYS 90 Ca -0.11 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.40 3d5a n LYS 90 Cb 0.43 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 32.15 3d5a n LYS 90 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3d5a n ASP 91 N -0.95 1.33 -3.80 4.39 2.03 -1.26 -4.90 116.55 113.39 3d5a n ASP 91 Ca 0.05 -1.17 -0.26 0.00 0.52 0.00 0.00 54.79 53.94 3d5a n ASP 91 Cb 0.02 0.62 -0.17 0.00 -0.72 0.00 0.00 41.12 40.87 3d5a n ASP 91 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3d5a s LEU 92 N -2.19 1.03 -0.12 -2.67 1.43 -0.41 -1.67 118.68 114.09 3d5a s LEU 92 Ca 0.11 -0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 52.49 3d5a s LEU 92 Cb 0.12 -0.63 -0.05 0.00 0.03 0.00 0.00 46.19 45.66 3d5a s LEU 92 CO 0.45 -0.21 1.79 -2.84 0.23 0.00 0.00 176.35 175.77 3d5a s PRO 93 N 1.84 3.89 0.00 1.29 0.02 -1.26 -2.86 135.00 137.91 3d5a s PRO 93 Ca 0.03 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.12 3d5a s PRO 93 Cb -0.14 -4.10 0.00 0.00 0.02 0.00 0.00 34.50 30.28 3d5a s PRO 93 CO -0.07 -1.21 0.00 0.41 -0.33 0.00 0.00 177.00 175.80 3d5a n GLY 94 N 4.64 2.67 3.58 0.52 0.00 -1.26 -5.02 105.19 110.32 3d5a n GLY 94 Ca 0.20 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 3d5a n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d5a s VAL 95 N -1.56 3.30 -0.14 1.61 1.01 -1.13 -4.78 120.40 118.72 3d5a s VAL 95 Ca 0.00 0.26 0.15 0.00 0.00 0.00 0.00 61.98 62.39 3d5a s VAL 95 Cb 0.00 -3.54 0.35 0.00 0.00 0.00 0.00 36.38 33.18 3d5a s VAL 95 CO 0.00 -0.44 1.17 0.54 0.00 0.00 0.00 175.10 176.37 3d5a n ARG 96 N 8.79 1.11 -3.67 2.72 1.74 -1.26 -1.91 116.66 124.18 3d5a n ARG 96 Ca 0.25 -2.69 -0.10 0.00 -0.77 0.00 0.00 57.85 54.55 3d5a n ARG 96 Cb 0.49 -1.23 -0.11 0.00 -1.02 0.00 0.00 32.46 30.60 3d5a n ARG 96 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3d5a s TYR 97 N -2.34 -0.67 0.86 -1.55 1.51 -1.25 -3.61 117.35 110.30 3d5a s TYR 97 Ca 0.32 1.35 -0.12 0.00 -1.01 0.00 0.00 57.07 57.61 3d5a s TYR 97 Cb 0.31 0.22 0.11 0.00 -0.11 0.00 0.00 41.96 42.49 3d5a s TYR 97 CO -0.05 -0.42 1.12 -1.01 -1.11 0.00 0.00 175.55 174.08 3d5a s HIS 98 N 2.33 2.67 -0.12 2.71 3.76 -1.11 -2.55 115.29 122.98 3d5a s HIS 98 Ca -0.03 0.97 0.02 0.00 -0.15 0.00 0.00 55.06 55.87 3d5a s HIS 98 Cb -0.11 -3.29 0.01 0.00 1.11 0.00 0.00 32.58 30.30 3d5a s HIS 98 CO -0.12 -2.10 -0.18 -1.50 -0.85 0.00 0.00 174.74 170.00 3d5a s ILE 99 N -3.24 1.73 0.56 0.60 2.07 -1.11 -0.79 121.20 121.01 3d5a s ILE 99 Ca 0.62 -0.78 -0.20 0.00 -1.41 0.00 0.00 60.65 58.88 3d5a s ILE 99 Cb -0.14 -1.55 -0.05 0.00 0.13 0.00 0.00 42.46 40.85 3d5a s ILE 99 CO 0.53 0.49 1.22 -0.69 -1.91 0.00 0.00 174.94 174.58 3d5a s VAL 100 N 0.87 2.67 0.18 4.00 1.01 -0.42 -4.71 120.40 124.00 3d5a s VAL 100 Ca -0.08 0.44 0.05 0.00 0.00 0.00 0.00 61.98 62.39 3d5a s VAL 100 Cb -0.15 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3d5a s VAL 100 CO -0.01 -0.06 0.22 -0.13 0.00 0.00 0.00 175.10 175.12 3d5a s ARG 101 N -3.14 3.14 0.00 2.72 1.81 -1.26 -4.52 118.95 117.70 3d5a s ARG 101 Ca 0.74 -0.80 0.00 0.00 -1.72 0.00 0.00 55.73 53.94 3d5a s ARG 101 Cb -0.31 -2.76 0.00 0.00 -0.45 0.00 0.00 34.95 31.43 3d5a s ARG 101 CO 0.35 0.47 0.00 0.41 -0.68 0.00 0.00 175.30 175.86 3d5a n GLY 102 N -0.69 0.61 3.71 -3.53 0.00 -0.63 -4.60 105.19 100.06 3d5a n GLY 102 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 3d5a n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d5a s VAL 103 N -2.26 4.97 0.00 1.61 1.01 -0.84 -4.82 120.40 120.07 3d5a s VAL 103 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.00 3d5a s VAL 103 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.17 3d5a s VAL 103 CO 0.00 0.51 0.00 -1.22 0.00 0.00 0.00 175.10 174.39 3d5a n TYR 104 N 3.04 0.00 0.29 5.22 0.53 -1.26 -1.99 117.16 122.99 3d5a n TYR 104 Ca -0.17 0.00 0.18 0.00 -1.02 0.00 0.00 57.90 56.89 3d5a n TYR 104 Cb 0.53 0.05 0.92 0.00 -1.03 0.00 0.00 39.34 39.80 3d5a n TYR 104 CO 0.00 0.00 0.00 -0.44 -1.02 0.00 0.00 176.86 175.40 3d5a h ASP 105 N 7.86 0.00 -3.23 7.72 5.19 -1.91 -3.40 116.42 128.65 3d5a h ASP 105 Ca 0.00 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.85 3d5a h ASP 105 Cb 0.00 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 39.43 3d5a h ASP 105 CO 0.00 0.00 0.92 0.00 -3.12 0.00 0.00 179.24 177.04 3d5a s ALA 106 N -3.85 3.03 0.93 3.45 0.00 -0.84 -4.81 121.76 119.66 3d5a s ALA 106 Ca -0.02 -0.85 -0.12 0.00 0.00 0.00 0.00 51.96 50.96 3d5a s ALA 106 Cb 0.10 -3.99 0.15 0.00 0.00 0.00 0.00 23.12 19.38 3d5a s ALA 106 CO 0.39 -2.60 1.13 0.00 0.00 0.00 0.00 175.76 174.67 3d5a s ALA 107 N 4.80 1.62 0.74 0.00 0.00 -1.26 -1.60 121.76 126.06 3d5a s ALA 107 Ca 0.42 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.89 3d5a s ALA 107 Cb -0.08 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.99 3d5a s ALA 107 CO 0.25 -2.38 0.00 0.41 0.00 0.00 0.00 175.76 174.04 3d5a n GLY 108 N -1.99 1.07 3.49 0.00 0.00 -1.25 -3.02 105.19 103.48 3d5a n GLY 108 Ca 0.06 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 3d5a n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d5a s VAL 109 N 0.77 3.40 0.17 1.61 1.01 -1.16 -4.86 120.40 121.33 3d5a s VAL 109 Ca 0.00 -0.57 -0.14 0.00 0.00 0.00 0.00 61.98 61.27 3d5a s VAL 109 Cb 0.00 -2.40 -0.07 0.00 0.00 0.00 0.00 36.38 33.91 3d5a s VAL 109 CO 0.00 0.56 0.57 -0.75 0.00 0.00 0.00 175.10 175.48 3d5a s LYS 110 N -0.35 3.97 0.00 2.72 2.20 -1.26 -4.20 119.74 122.83 3d5a s LYS 110 Ca 0.04 0.49 0.00 0.00 -0.36 0.00 0.00 55.97 56.14 3d5a s LYS 110 Cb -0.12 -2.87 0.00 0.00 -1.51 0.00 0.00 37.83 33.33 3d5a s LYS 110 CO 0.02 0.44 0.00 -0.25 -0.36 0.00 0.00 175.35 175.20 3d5a n ASP 111 N 0.61 0.00 -4.76 1.43 8.00 -1.26 -4.98 116.55 115.59 3d5a n ASP 111 Ca -0.04 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.06 3d5a n ASP 111 Cb 0.52 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.64 3d5a n ASP 111 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3d5a n ARG 112 N -1.66 2.23 0.00 -1.24 0.63 -1.26 -4.97 116.66 110.39 3d5a n ARG 112 Ca 0.00 0.80 0.00 0.00 -0.92 0.00 0.00 57.85 57.73 3d5a n ARG 112 Cb 0.00 -2.63 0.00 0.00 0.45 0.00 0.00 32.46 30.28 3d5a n ARG 112 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3d5a n LYS 113 N -0.25 0.00 -2.08 -0.14 4.76 -1.26 -4.96 118.16 114.23 3d5a n LYS 113 Ca 0.05 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.15 3d5a n LYS 113 Cb 0.42 -0.11 0.02 0.00 -1.84 0.00 0.00 35.03 33.51 3d5a n LYS 113 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3d5a s LYS 114 N -0.86 3.17 -1.64 1.97 1.02 -1.26 -3.71 119.74 118.44 3d5a s LYS 114 Ca 0.00 1.50 -0.00 0.00 0.02 0.00 0.00 55.97 57.49 3d5a s LYS 114 Cb 0.00 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 3d5a s LYS 114 CO 0.00 -0.97 0.02 0.43 -0.92 0.00 0.00 175.35 173.91 3d5a n SER 115 N -1.72 -5.54 -0.22 2.83 7.64 -1.26 -4.82 113.62 110.53 3d5a n SER 115 Ca 0.11 0.01 0.24 0.00 1.01 0.00 0.00 58.87 60.24 3d5a n SER 115 Cb 0.51 -4.62 0.62 0.00 -1.01 0.00 0.00 64.21 59.71 3d5a n SER 115 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3d5a h ARG 116 N -0.05 0.20 -0.10 1.43 3.08 -1.88 -2.75 114.38 114.32 3d5a h ARG 116 Ca -0.46 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.59 3d5a h ARG 116 Cb 1.34 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.33 3d5a h ARG 116 CO 0.54 0.13 -0.11 1.03 -1.07 0.00 0.00 179.97 180.49 3d5a h SER 117 N 0.21 -0.39 -0.63 7.04 0.87 -1.87 -0.31 113.55 118.46 3d5a h SER 117 Ca 0.47 0.05 0.05 0.00 -1.23 0.00 0.00 61.79 61.13 3d5a h SER 117 Cb 1.48 0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 63.57 3d5a h SER 117 CO -0.11 -0.08 0.42 0.11 -0.53 0.00 0.00 176.83 176.64 3d5a h LYS 118 N -0.07 0.64 -0.61 2.24 1.57 -1.88 -1.94 116.57 116.52 3d5a h LYS 118 Ca 0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3d5a h LYS 118 Cb 0.12 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3d5a h LYS 118 CO -0.13 0.43 0.00 0.66 -0.57 0.00 0.00 179.45 179.84 3d5a n TYR 119 N -4.47 1.02 -3.25 -1.35 4.02 -0.95 -4.60 117.16 107.58 3d5a n TYR 119 Ca 0.09 -0.44 -0.27 0.00 -0.01 0.00 0.00 57.90 57.27 3d5a n TYR 119 Cb 0.20 -0.12 0.03 0.00 -0.02 0.00 0.00 39.34 39.44 3d5a n TYR 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3d5a n GLY 120 N 1.18 -0.43 2.74 2.72 0.00 -0.17 -3.00 105.19 108.24 3d5a n GLY 120 Ca 0.20 1.19 -0.18 0.00 0.00 0.00 0.00 46.02 47.23 3d5a n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d5a s THR 121 N -1.90 -0.35 0.10 2.61 2.01 -1.05 -3.35 115.64 113.72 3d5a s THR 121 Ca 0.33 -0.37 -0.34 0.00 0.31 0.00 0.00 61.69 61.62 3d5a s THR 121 Cb -0.05 -0.87 -0.14 0.00 0.01 0.00 0.00 72.50 71.45 3d5a s THR 121 CO 0.83 -0.39 1.62 1.17 -0.69 0.00 0.00 174.62 177.16 3d5a n LYS 122 N 5.31 2.06 -1.58 4.92 4.81 -1.26 -4.75 118.16 127.67 3d5a n LYS 122 Ca -0.04 0.75 -0.48 0.00 -0.87 0.00 0.00 58.31 57.67 3d5a n LYS 122 Cb 0.47 -2.52 -0.04 0.00 0.02 0.00 0.00 35.03 32.97 3d5a n LYS 122 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3d5a n LYS 123 N 4.04 1.22 -0.29 1.64 4.81 -1.26 -4.99 118.16 123.33 3d5a n LYS 123 Ca 0.18 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 3d5a n LYS 123 Cb 0.28 -1.91 0.00 0.00 0.02 0.00 0.00 35.03 33.42 3d5a n LYS 123 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3d5a n PRO 124 N 1.61 0.35 -3.86 1.64 -0.04 -1.26 -5.11 135.00 128.34 3d5a n PRO 124 Ca 0.14 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.38 3d5a n PRO 124 Cb 0.26 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.55 3d5a n PRO 124 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3d5a s LYS 125 N -2.57 0.68 -0.13 0.54 2.47 -1.26 -5.04 119.74 114.43 3d5a s LYS 125 Ca 0.00 0.05 -0.18 0.00 -1.56 0.00 0.00 55.97 54.28 3d5a s LYS 125 Cb 0.00 -0.95 -0.16 0.00 -1.46 0.00 0.00 37.83 35.26 3d5a s LYS 125 CO 0.00 -0.25 0.42 0.93 0.16 0.00 0.00 175.35 176.61 3d5a h GLU 126 N 8.05 0.00 0.00 4.03 4.39 -2.06 -3.57 114.58 125.42 3d5a h GLU 126 Ca -0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.45 3d5a h GLU 126 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3d5a h GLU 126 CO 0.32 0.63 0.00 0.00 -1.16 0.00 0.00 179.01 178.79