#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1g s THR 5 N 0.00 2.15 0.15 0.52 -4.23 -1.26 -4.95 115.64 108.02 3f1g s THR 5 Ca 0.00 0.05 -0.15 0.00 -1.18 0.00 0.00 61.69 60.41 3f1g s THR 5 Cb 0.00 -2.60 0.02 0.00 1.34 0.00 0.00 72.50 71.26 3f1g s THR 5 CO 0.00 -0.07 1.74 0.16 -0.54 0.00 0.00 174.62 175.91 3f1g h ILE 6 N -1.76 1.17 -0.62 2.99 -0.00 -2.06 -3.00 117.51 114.23 3f1g h ILE 6 Ca -0.53 -0.47 0.06 0.00 -0.00 0.00 0.00 64.86 63.92 3f1g h ILE 6 Cb 1.32 0.66 -0.06 0.00 -0.00 0.00 0.00 36.82 38.75 3f1g h ILE 6 CO 0.58 0.19 0.32 -1.13 -0.00 0.00 0.00 178.15 178.11 3f1g h ASN 7 N 0.58 0.45 -0.68 2.16 -0.73 -1.99 0.35 115.58 115.72 3f1g h ASN 7 Ca 0.16 0.04 0.11 0.00 1.87 0.00 0.00 56.30 58.48 3f1g h ASN 7 Cb 0.09 -0.04 -0.04 0.00 0.27 0.00 0.00 38.32 38.59 3f1g h ASN 7 CO -0.02 0.29 0.45 1.56 -0.37 0.00 0.00 177.43 179.34 3f1g h GLN 8 N 0.59 0.45 -0.20 6.67 4.20 -1.91 0.22 115.11 125.12 3f1g h GLN 8 Ca 0.29 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.85 3f1g h GLN 8 Cb 0.22 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 3f1g h GLN 8 CO -0.20 0.30 -0.32 -0.07 -0.67 0.00 0.00 178.83 177.86 3f1g h LEU 9 N 0.46 0.63 -1.54 1.46 3.38 -0.29 -2.15 115.31 117.26 3f1g h LEU 9 Ca 0.32 -0.53 0.06 0.00 0.09 0.00 0.00 57.88 57.83 3f1g h LEU 9 Cb 0.63 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3f1g h LEU 9 CO -0.10 1.03 0.39 0.58 0.09 0.00 0.00 178.44 180.43 3f1g h VAL 10 N 0.24 1.00 0.00 1.22 2.07 0.93 -2.01 116.25 119.70 3f1g h VAL 10 Ca 0.02 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3f1g h VAL 10 Cb 0.90 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3f1g h VAL 10 CO 0.07 0.10 0.00 0.54 0.02 0.00 0.00 177.57 178.31 3f1g n ARG 11 N -4.47 0.00 -0.19 1.57 1.74 -0.13 -4.78 116.66 110.40 3f1g n ARG 11 Ca 0.08 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.11 3f1g n ARG 11 Cb 0.23 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.63 3f1g n ARG 11 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3f1g n LYS 12 N 0.00 -0.20 0.00 5.56 4.81 -0.82 -4.90 118.16 122.62 3f1g n LYS 12 Ca 0.00 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 3f1g n LYS 12 Cb 0.00 -1.01 0.00 0.00 0.02 0.00 0.00 35.03 34.04 3f1g n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3f1g n GLY 13 N -1.11 -1.20 3.65 3.14 0.00 -0.75 -4.91 105.19 104.00 3f1g n GLY 13 Ca 0.01 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 3f1g n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1g s ARG 14 N -1.54 4.18 0.09 1.61 1.81 -1.26 -4.99 118.95 118.86 3f1g s ARG 14 Ca 0.00 0.66 -0.31 0.00 -1.72 0.00 0.00 55.73 54.36 3f1g s ARG 14 Cb 0.00 -3.61 -0.07 0.00 -0.45 0.00 0.00 34.95 30.83 3f1g s ARG 14 CO 0.00 -0.33 1.25 -2.00 -0.68 0.00 0.00 175.30 173.54 3f1g s GLU 15 N 2.22 4.41 0.33 3.54 2.12 -1.26 -5.00 118.70 125.06 3f1g s GLU 15 Ca 0.29 1.87 -0.27 0.00 0.36 0.00 0.00 54.97 57.23 3f1g s GLU 15 Cb -0.16 -3.30 -0.09 0.00 0.26 0.00 0.00 34.13 30.84 3f1g s GLU 15 CO 0.10 -0.28 1.04 0.21 -0.54 0.00 0.00 175.26 175.78 3f1g s LYS 16 N 0.88 4.44 0.18 4.30 2.36 -1.26 -4.96 119.74 125.68 3f1g s LYS 16 Ca 0.59 1.58 -0.15 0.00 -2.55 0.00 0.00 55.97 55.44 3f1g s LYS 16 Cb -0.32 -2.86 0.14 0.00 -1.05 0.00 0.00 37.83 33.75 3f1g s LYS 16 CO 0.31 0.10 1.67 -0.39 1.55 0.00 0.00 175.35 178.58 3f1g h VAL 17 N 2.63 0.58 -5.88 4.02 -1.51 -2.07 -3.47 116.25 110.55 3f1g h VAL 17 Ca -0.47 -0.01 -0.09 0.00 -1.23 0.00 0.00 66.70 64.89 3f1g h VAL 17 Cb 1.21 0.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 3f1g h VAL 17 CO 0.65 0.01 -0.95 -1.14 -1.23 0.00 0.00 177.57 174.90 3f1g n ARG 18 N -5.29 -1.93 -2.14 5.19 0.63 -1.26 -5.00 116.66 106.86 3f1g n ARG 18 Ca 0.04 1.73 -0.28 0.00 -0.92 0.00 0.00 57.85 58.42 3f1g n ARG 18 Cb 0.25 -3.32 0.17 0.00 0.45 0.00 0.00 32.46 30.01 3f1g n ARG 18 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3f1g s LYS 19 N -1.83 0.91 0.06 -0.14 0.00 -1.26 -5.11 119.74 112.37 3f1g s LYS 19 Ca 0.14 -0.65 -0.06 0.00 0.00 0.00 0.00 55.97 55.40 3f1g s LYS 19 Cb -0.02 -1.99 -0.01 0.00 0.00 0.00 0.00 37.83 35.80 3f1g s LYS 19 CO 0.57 -2.15 0.10 0.15 0.00 0.00 0.00 175.35 174.01 3f1g s LYS 20 N -5.67 0.67 1.16 1.78 1.02 -1.26 -5.17 119.74 112.27 3f1g s LYS 20 Ca 0.72 -0.92 -0.16 0.00 0.02 0.00 0.00 55.97 55.64 3f1g s LYS 20 Cb -0.04 0.26 0.27 0.00 -0.52 0.00 0.00 37.83 37.80 3f1g s LYS 20 CO 0.50 -0.18 1.06 0.45 -0.92 0.00 0.00 175.35 176.27 3f1g s SER 21 N -2.52 1.22 0.00 2.83 0.15 -1.26 -5.00 113.70 109.13 3f1g s SER 21 Ca 0.01 1.03 0.00 0.00 0.70 0.00 0.00 55.95 57.68 3f1g s SER 21 Cb 0.03 -1.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 3f1g s SER 21 CO -0.08 -3.98 0.44 0.29 1.20 0.00 0.00 173.24 171.12 3f1g n LYS 22 N -4.72 0.41 -3.15 5.44 5.02 -1.26 -5.00 118.16 114.91 3f1g n LYS 22 Ca 0.08 -0.53 0.03 0.00 -2.02 0.00 0.00 58.31 55.86 3f1g n LYS 22 Cb 0.58 -0.66 -0.00 0.00 -0.02 0.00 0.00 35.03 34.92 3f1g n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3f1g s VAL 23 N -0.18 -0.88 0.00 -0.18 1.01 -1.26 -4.96 120.40 113.95 3f1g s VAL 23 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 3f1g s VAL 23 Cb 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 36.38 35.84 3f1g s VAL 23 CO 0.00 0.00 2.05 -0.81 0.00 0.00 0.00 175.10 176.34 3f1g n PRO 24 N 4.80 0.99 0.00 2.72 -0.04 -1.26 -4.37 135.00 137.84 3f1g n PRO 24 Ca 0.08 -0.49 0.03 0.00 -0.04 0.00 0.00 63.50 63.08 3f1g n PRO 24 Cb 0.56 -1.74 0.19 0.00 -0.04 0.00 0.00 33.50 32.47 3f1g n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3f1g n ALA 25 N 2.73 1.92 -1.53 0.55 0.00 -1.26 -4.95 120.51 117.98 3f1g n ALA 25 Ca 0.21 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.70 3f1g n ALA 25 Cb 0.46 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 3f1g n ALA 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3f1g n LEU 26 N -0.76 -1.35 -0.09 0.00 -0.00 -1.26 -4.49 117.00 109.05 3f1g n LEU 26 Ca 0.05 2.64 -0.01 0.00 -0.00 0.00 0.00 56.01 58.69 3f1g n LEU 26 Cb 0.02 -3.15 -0.00 0.00 -0.00 0.00 0.00 43.42 40.29 3f1g n LEU 26 CO 0.04 -1.51 -0.01 0.29 -0.00 0.00 0.00 177.39 176.20 3f1g n LYS 27 N -3.55 -1.94 -2.50 1.96 5.02 -1.26 -1.68 118.16 114.21 3f1g n LYS 27 Ca -0.05 0.22 -0.02 0.00 -2.02 0.00 0.00 58.31 56.44 3f1g n LYS 27 Cb 0.59 -3.58 -0.00 0.00 -0.02 0.00 0.00 35.03 32.02 3f1g n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f1g n GLY 28 N 0.36 -0.50 3.52 0.72 0.00 -1.26 -4.87 105.19 103.17 3f1g n GLY 28 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3f1g n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1g n ALA 29 N -2.46 -2.28 0.15 4.61 0.00 -0.68 -4.93 120.51 114.93 3f1g n ALA 29 Ca -0.02 -0.96 0.03 0.00 0.00 0.00 0.00 53.44 52.49 3f1g n ALA 29 Cb 0.52 -2.03 0.07 0.00 0.00 0.00 0.00 19.45 18.01 3f1g n ALA 29 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3f1g h PRO 30 N -2.36 0.00 -2.64 0.00 0.11 -1.92 -3.47 132.00 121.72 3f1g h PRO 30 Ca -0.54 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 3f1g h PRO 30 Cb 1.31 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.28 3f1g h PRO 30 CO 0.45 0.47 0.24 -0.06 -0.21 0.00 0.00 178.00 178.89 3f1g s PHE 31 N -3.05 -0.55 -0.02 0.65 0.40 -1.26 -4.82 117.98 109.33 3f1g s PHE 31 Ca 0.04 0.54 -0.01 0.00 -0.60 0.00 0.00 56.93 56.90 3f1g s PHE 31 Cb 0.08 0.52 0.01 0.00 0.51 0.00 0.00 43.02 44.14 3f1g s PHE 31 CO 0.73 -0.75 0.03 0.50 0.70 0.00 0.00 175.22 176.43 3f1g s ARG 32 N -2.96 0.01 0.64 0.44 6.06 -1.16 -4.96 118.95 117.02 3f1g s ARG 32 Ca -0.02 0.10 -0.11 0.00 -2.50 0.00 0.00 55.73 53.21 3f1g s ARG 32 Cb -0.01 -0.09 -0.02 0.00 0.06 0.00 0.00 34.95 34.89 3f1g s ARG 32 CO -0.06 -0.07 1.05 0.50 -2.50 0.00 0.00 175.30 174.21 3f1g s ARG 33 N 0.45 3.37 0.02 5.12 3.52 -1.26 -0.57 118.95 129.60 3f1g s ARG 33 Ca -0.04 0.65 -0.29 0.00 -0.13 0.00 0.00 55.73 55.92 3f1g s ARG 33 Cb -0.05 -2.07 0.11 0.00 -1.56 0.00 0.00 34.95 31.38 3f1g s ARG 33 CO -0.01 -0.71 1.21 0.20 -0.81 0.00 0.00 175.30 175.18 3f1g s GLY 34 N -4.23 -0.37 -0.01 8.12 0.00 -0.63 -2.65 107.32 107.55 3f1g s GLY 34 Ca 0.56 0.60 0.03 0.00 0.00 0.00 0.00 44.72 45.91 3f1g s GLY 34 CO 0.53 0.11 -0.09 0.14 0.00 0.00 0.00 173.10 173.79 3f1g s VAL 35 N -2.62 3.50 0.09 1.40 1.01 -0.80 0.05 120.40 123.04 3f1g s VAL 35 Ca 0.14 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 61.04 3f1g s VAL 35 Cb 0.03 -2.49 -0.07 0.00 0.00 0.00 0.00 36.38 33.85 3f1g s VAL 35 CO -0.03 0.44 1.38 0.00 0.00 0.00 0.00 175.10 176.89 3f1g n THR 37 N 4.05 1.67 -3.66 0.00 5.66 0.31 -3.77 114.28 118.55 3f1g n THR 37 Ca 0.11 -0.64 -0.06 0.00 -3.05 0.00 0.00 64.05 60.41 3f1g n THR 37 Cb 0.43 -1.57 -0.07 0.00 -1.55 0.00 0.00 70.33 67.56 3f1g n THR 37 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3f1g s VAL 38 N -2.55 -0.47 -0.25 1.08 1.01 -1.05 -4.84 120.40 113.33 3f1g s VAL 38 Ca -0.25 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 3f1g s VAL 38 Cb 0.07 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 3f1g s VAL 38 CO 0.72 0.02 0.45 -0.69 0.00 0.00 0.00 175.10 175.60 3f1g s VAL 39 N 2.22 5.13 0.26 2.92 1.01 -1.26 -0.98 120.40 129.70 3f1g s VAL 39 Ca -0.07 0.75 -0.06 0.00 0.00 0.00 0.00 61.98 62.61 3f1g s VAL 39 Cb -0.09 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 3f1g s VAL 39 CO -0.17 0.14 0.36 -0.60 0.00 0.00 0.00 175.10 174.84 3f1g s ARG 40 N 2.05 1.55 -0.06 2.72 3.00 -0.21 -5.02 118.95 122.99 3f1g s ARG 40 Ca 0.19 -1.54 0.00 0.00 -1.00 0.00 0.00 55.73 53.39 3f1g s ARG 40 Cb -0.16 0.40 0.02 0.00 0.00 0.00 0.00 34.95 35.21 3f1g s ARG 40 CO 0.09 -0.61 -0.05 -0.08 0.00 0.00 0.00 175.30 174.66 3f1g s THR 41 N -3.77 0.62 0.04 4.11 -1.32 -1.26 -1.39 115.64 112.67 3f1g s THR 41 Ca 0.30 -0.12 0.06 0.00 -1.21 0.00 0.00 61.69 60.72 3f1g s THR 41 Cb 0.02 -0.66 -0.02 0.00 -1.51 0.00 0.00 72.50 70.33 3f1g s THR 41 CO 0.14 0.26 -0.17 0.68 -2.21 0.00 0.00 174.62 173.32 3f1g s VAL 42 N 1.22 1.34 0.36 5.08 -7.23 -0.45 -4.82 120.40 115.90 3f1g s VAL 42 Ca -0.06 -1.06 -0.27 0.00 -1.81 0.00 0.00 61.98 58.78 3f1g s VAL 42 Cb -0.14 -1.19 -0.09 0.00 0.56 0.00 0.00 36.38 35.52 3f1g s VAL 42 CO -0.02 0.11 1.21 0.42 -0.31 0.00 0.00 175.10 176.51 3f1g s THR 43 N -0.79 3.02 0.17 5.32 -4.23 -1.26 0.06 115.64 117.93 3f1g s THR 43 Ca 0.04 0.95 -0.03 0.00 -1.18 0.00 0.00 61.69 61.47 3f1g s THR 43 Cb -0.08 -3.57 0.04 0.00 1.34 0.00 0.00 72.50 70.23 3f1g s THR 43 CO 0.01 0.16 0.20 -2.65 -0.54 0.00 0.00 174.62 171.81 3f1g n PRO 44 N 0.49 -0.56 0.00 3.99 -0.02 -1.26 -4.89 135.00 132.75 3f1g n PRO 44 Ca 0.02 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.18 3f1g n PRO 44 Cb 0.44 -0.23 0.00 0.00 -0.02 0.00 0.00 33.50 33.69 3f1g n PRO 44 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3f1g n LYS 45 N -1.63 3.47 -0.06 -0.52 5.02 0.66 -4.87 118.16 120.23 3f1g n LYS 45 Ca 0.03 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.18 3f1g n LYS 45 Cb 0.09 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.02 3f1g n LYS 45 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3f1g h LYS 46 N 0.00 -0.47 0.00 1.97 3.64 -1.93 -3.23 116.57 116.55 3f1g h LYS 46 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3f1g h LYS 46 Cb 0.00 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3f1g h LYS 46 CO 0.00 -0.31 -1.17 -0.35 -2.27 0.00 0.00 179.45 175.35 3f1g n PRO 47 N -5.42 0.38 -0.79 1.90 -0.05 -1.26 -4.99 135.00 124.78 3f1g n PRO 47 Ca -0.04 -0.01 0.00 0.00 -0.05 0.00 0.00 63.50 63.39 3f1g n PRO 47 Cb 0.36 -1.61 0.00 0.00 -0.05 0.00 0.00 33.50 32.20 3f1g n PRO 47 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 3f1g n ASN 48 N -2.10 1.38 -3.65 3.54 5.03 -1.22 -5.17 115.26 113.08 3f1g n ASN 48 Ca 0.01 -0.47 -0.02 0.00 0.87 0.00 0.00 54.58 54.98 3f1g n ASN 48 Cb 0.47 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.17 3f1g n ASN 48 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3f1g s SER 49 N -0.26 -0.01 0.00 6.41 0.15 -1.26 -4.58 113.70 114.15 3f1g s SER 49 Ca 0.00 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.66 3f1g s SER 49 Cb 0.00 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 3f1g s SER 49 CO 0.00 -0.00 0.00 0.00 1.20 0.00 0.00 173.24 174.44 3f1g n ALA 50 N 1.09 0.00 -1.47 5.45 0.00 -1.26 -4.96 120.51 119.35 3f1g n ALA 50 Ca -0.05 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.88 3f1g n ALA 50 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 3f1g n ALA 50 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3f1g n LEU 51 N 0.00 2.23 -4.85 0.00 -0.00 -1.26 -4.41 117.00 108.71 3f1g n LEU 51 Ca 0.00 0.48 -0.31 0.00 -0.00 0.00 0.00 56.01 56.17 3f1g n LEU 51 Cb 0.00 -1.27 -0.02 0.00 -0.00 0.00 0.00 43.42 42.13 3f1g n LEU 51 CO 0.00 -0.68 0.65 -0.13 -0.00 0.00 0.00 177.39 177.23 3f1g s ARG 52 N 5.94 3.84 -0.41 1.47 3.00 0.11 -4.69 118.95 128.20 3f1g s ARG 52 Ca 1.08 0.82 -0.18 0.00 0.00 0.00 0.00 55.73 57.44 3f1g s ARG 52 Cb -0.85 -2.17 0.02 0.00 0.00 0.00 0.00 34.95 31.94 3f1g s ARG 52 CO 0.50 -0.29 0.52 0.15 0.00 0.00 0.00 175.30 176.17 3f1g s LYS 53 N -4.28 3.27 0.12 3.54 3.01 -1.26 -1.34 119.74 122.79 3f1g s LYS 53 Ca 0.57 -0.51 -0.02 0.00 -1.01 0.00 0.00 55.97 54.99 3f1g s LYS 53 Cb -0.10 -3.93 -0.04 0.00 -1.01 0.00 0.00 37.83 32.75 3f1g s LYS 53 CO 0.36 -0.86 0.06 0.08 0.51 0.00 0.00 175.35 175.51 3f1g s VAL 54 N 2.41 0.12 -0.08 3.17 1.01 -0.48 -0.83 120.40 125.72 3f1g s VAL 54 Ca 0.17 -1.83 -0.13 0.00 0.00 0.00 0.00 61.98 60.19 3f1g s VAL 54 Cb -0.16 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.35 3f1g s VAL 54 CO 0.15 -0.56 0.33 0.00 0.00 0.00 0.00 175.10 175.02 3f1g s ALA 55 N -4.01 -0.83 -0.23 5.51 0.00 -0.57 -1.04 121.76 120.59 3f1g s ALA 55 Ca 0.20 0.67 -0.18 0.00 0.00 0.00 0.00 51.96 52.65 3f1g s ALA 55 Cb 0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 3f1g s ALA 55 CO -0.01 -0.21 0.50 0.15 0.00 0.00 0.00 175.76 176.19 3f1g s LYS 56 N -0.52 4.13 -0.09 0.00 1.02 -0.15 -0.19 119.74 123.94 3f1g s LYS 56 Ca -0.06 0.34 0.01 0.00 0.02 0.00 0.00 55.97 56.28 3f1g s LYS 56 Cb -0.04 -3.60 -0.02 0.00 -0.52 0.00 0.00 37.83 33.65 3f1g s LYS 56 CO 0.02 -0.23 -0.11 0.08 -0.92 0.00 0.00 175.35 174.19 3f1g s VAL 57 N 1.92 3.29 -0.13 3.17 1.01 0.40 0.11 120.40 130.17 3f1g s VAL 57 Ca 0.22 -0.61 -0.21 0.00 0.00 0.00 0.00 61.98 61.37 3f1g s VAL 57 Cb -0.15 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 3f1g s VAL 57 CO 0.09 0.56 0.63 -0.60 0.00 0.00 0.00 175.10 175.78 3f1g s ARG 58 N -0.30 4.32 0.60 2.72 3.52 0.02 -0.45 118.95 129.39 3f1g s ARG 58 Ca 0.03 0.69 -0.08 0.00 -0.13 0.00 0.00 55.73 56.24 3f1g s ARG 58 Cb -0.13 -3.50 -0.01 0.00 -1.56 0.00 0.00 34.95 29.75 3f1g s ARG 58 CO 0.03 -0.05 0.95 -0.51 -0.81 0.00 0.00 175.30 174.91 3f1g s LEU 59 N 1.26 3.23 0.24 -0.88 2.01 -1.19 -1.90 118.68 121.45 3f1g s LEU 59 Ca 0.32 1.01 -0.06 0.00 0.01 0.00 0.00 54.13 55.40 3f1g s LEU 59 Cb -0.16 -3.91 0.24 0.00 0.01 0.00 0.00 46.19 42.37 3f1g s LEU 59 CO 0.13 -0.99 1.90 0.71 1.01 0.00 0.00 176.35 179.11 3f1g h THR 60 N -0.24 1.26 0.00 5.49 1.35 -1.87 -2.78 112.91 116.11 3f1g h THR 60 Ca -0.45 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 3f1g h THR 60 Cb 1.23 -0.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 3f1g h THR 60 CO 0.62 0.27 0.00 -1.54 -0.25 0.00 0.00 175.52 174.62 3f1g n SER 61 N -4.36 2.09 0.00 5.36 3.41 -1.26 -4.77 113.62 114.09 3f1g n SER 61 Ca 0.11 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.36 3f1g n SER 61 Cb 0.05 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 3f1g n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f1g n GLY 62 N 0.75 0.09 0.00 5.00 0.00 -1.05 -4.91 105.19 105.07 3f1g n GLY 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3f1g n GLY 62 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3f1g n TYR 63 N -2.00 -1.01 -2.98 1.61 4.02 -1.26 -4.78 117.16 110.76 3f1g n TYR 63 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.91 3f1g n TYR 63 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3f1g n TYR 63 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3f1g s GLU 64 N -0.56 0.41 0.24 -0.72 2.12 -1.26 -3.20 118.70 115.73 3f1g s GLU 64 Ca 0.00 -0.06 0.07 0.00 0.36 0.00 0.00 54.97 55.34 3f1g s GLU 64 Cb 0.00 0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.42 3f1g s GLU 64 CO 0.00 -0.62 0.12 0.08 -0.54 0.00 0.00 175.26 174.30 3f1g s VAL 65 N 2.10 4.12 0.00 3.70 1.01 0.41 -4.85 120.40 126.89 3f1g s VAL 65 Ca 0.16 -1.50 -0.14 0.00 0.00 0.00 0.00 61.98 60.50 3f1g s VAL 65 Cb -0.01 -3.19 -0.06 0.00 0.00 0.00 0.00 36.38 33.13 3f1g s VAL 65 CO -0.14 -0.30 0.40 0.42 0.00 0.00 0.00 175.10 175.48 3f1g s THR 66 N -2.09 5.06 -0.02 3.92 -4.23 -1.26 0.15 115.64 117.16 3f1g s THR 66 Ca 0.32 0.78 -0.04 0.00 -1.18 0.00 0.00 61.69 61.56 3f1g s THR 66 Cb -0.08 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.07 3f1g s THR 66 CO 0.23 0.56 0.10 0.00 -0.54 0.00 0.00 174.62 174.96 3f1g s ALA 67 N -1.11 -0.24 0.24 3.99 0.00 0.74 -4.25 121.76 121.13 3f1g s ALA 67 Ca 0.24 0.07 -0.29 0.00 0.00 0.00 0.00 51.96 51.99 3f1g s ALA 67 Cb -0.16 -0.06 -0.09 0.00 0.00 0.00 0.00 23.12 22.81 3f1g s ALA 67 CO 0.13 -0.11 0.92 -0.47 0.00 0.00 0.00 175.76 176.23 3f1g s TYR 68 N -0.53 3.95 -0.47 0.00 5.04 -0.34 -1.51 117.35 123.49 3f1g s TYR 68 Ca -0.06 1.86 -0.11 0.00 -2.44 0.00 0.00 57.07 56.32 3f1g s TYR 68 Cb -0.04 -2.94 0.11 0.00 0.35 0.00 0.00 41.96 39.44 3f1g s TYR 68 CO 0.00 0.44 0.35 0.42 -1.34 0.00 0.00 175.55 175.43 3f1g s ILE 69 N -1.22 4.49 0.65 3.14 1.09 -0.01 -0.13 121.20 129.22 3f1g s ILE 69 Ca 0.41 -1.56 -0.13 0.00 -1.10 0.00 0.00 60.65 58.27 3f1g s ILE 69 Cb -0.25 -3.86 -0.01 0.00 -1.06 0.00 0.00 42.46 37.28 3f1g s ILE 69 CO 0.30 -0.70 1.06 -2.84 -0.10 0.00 0.00 174.94 172.66 3f1g s PRO 70 N 1.45 3.09 0.00 2.79 0.02 -1.26 -4.65 135.00 136.43 3f1g s PRO 70 Ca 0.04 1.06 0.00 0.00 0.02 0.00 0.00 61.00 62.12 3f1g s PRO 70 Cb -0.26 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.26 3f1g s PRO 70 CO 0.01 -0.99 0.00 0.41 -0.33 0.00 0.00 177.00 176.11 3f1g n GLY 71 N -1.56 -0.65 3.68 0.52 0.00 -1.26 -4.91 105.19 101.01 3f1g n GLY 71 Ca 0.08 -1.74 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 3f1g n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f1g s GLU 72 N -1.19 4.18 0.38 1.61 2.02 -1.26 -4.93 118.70 119.51 3f1g s GLU 72 Ca 0.00 0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.15 3f1g s GLU 72 Cb 0.00 -3.52 0.00 0.00 0.10 0.00 0.00 34.13 30.71 3f1g s GLU 72 CO 0.00 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.70 3f1g n GLY 73 N 3.86 -4.04 3.42 -1.39 0.00 -1.26 -4.54 105.19 101.23 3f1g n GLY 73 Ca -0.09 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 3f1g n GLY 73 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3f1g n HIS 74 N -1.26 -1.76 -1.35 1.61 1.44 -1.26 -4.79 115.22 107.86 3f1g n HIS 74 Ca 0.00 -2.12 0.04 0.00 -2.01 0.00 0.00 57.72 53.63 3f1g n HIS 74 Cb 0.08 0.67 0.05 0.00 0.12 0.00 0.00 29.99 30.91 3f1g n HIS 74 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 3f1g n ASN 75 N -1.59 1.06 -4.77 4.39 6.94 -1.26 -5.08 115.26 114.96 3f1g n ASN 75 Ca -0.03 -2.29 -0.38 0.00 -0.02 0.00 0.00 54.58 51.87 3f1g n ASN 75 Cb 0.57 -0.24 -0.06 0.00 -2.36 0.00 0.00 39.78 37.69 3f1g n ASN 75 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3f1g s LEU 76 N -1.16 4.40 0.26 -4.53 2.01 -1.26 -4.93 118.68 113.47 3f1g s LEU 76 Ca 0.12 1.95 -0.03 0.00 0.01 0.00 0.00 54.13 56.18 3f1g s LEU 76 Cb 0.10 -3.91 -0.02 0.00 0.01 0.00 0.00 46.19 42.37 3f1g s LEU 76 CO 0.01 -0.10 0.31 -1.10 1.01 0.00 0.00 176.35 176.48 3f1g s GLN 77 N -1.87 1.53 0.00 1.70 -0.21 -1.26 -4.91 119.66 114.63 3f1g s GLN 77 Ca 0.49 -1.63 0.00 0.00 0.02 0.00 0.00 55.36 54.24 3f1g s GLN 77 Cb -0.22 0.36 0.00 0.00 1.00 0.00 0.00 33.01 34.15 3f1g s GLN 77 CO 0.28 -0.58 0.40 -1.91 -2.12 0.00 0.00 175.29 171.36 3f1g n GLU 78 N -0.42 0.37 0.00 2.91 2.13 -1.26 -1.13 120.64 123.24 3f1g n GLU 78 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 3f1g n GLU 78 Cb 0.63 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 31.03 3f1g n GLU 78 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3f1g n HIS 79 N 0.89 0.00 -1.82 4.31 8.25 -1.25 -4.81 115.22 120.80 3f1g n HIS 79 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 3f1g n HIS 79 Cb 0.18 0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.38 3f1g n HIS 79 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3f1g s SER 80 N 0.00 6.28 0.58 0.41 0.01 -0.28 -4.65 113.70 116.05 3f1g s SER 80 Ca 0.00 2.21 -0.18 0.00 1.31 0.00 0.00 55.95 59.28 3f1g s SER 80 Cb 0.00 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 3f1g s SER 80 CO 0.00 -1.25 1.14 0.54 0.41 0.00 0.00 173.24 174.08 3f1g s VAL 81 N 5.29 3.06 0.07 3.43 0.11 -1.26 0.37 120.40 131.47 3f1g s VAL 81 Ca 0.84 0.62 -0.26 0.00 -2.93 0.00 0.00 61.98 60.25 3f1g s VAL 81 Cb -0.35 -3.21 0.09 0.00 -1.53 0.00 0.00 36.38 31.37 3f1g s VAL 81 CO 0.35 -0.18 0.81 0.54 -3.33 0.00 0.00 175.10 173.29 3f1g s VAL 82 N -1.85 0.00 -0.14 2.04 0.11 0.11 -2.46 120.40 118.21 3f1g s VAL 82 Ca 0.73 -0.12 -0.11 0.00 -2.93 0.00 0.00 61.98 59.55 3f1g s VAL 82 Cb -0.25 -1.15 -0.05 0.00 -1.53 0.00 0.00 36.38 33.40 3f1g s VAL 82 CO 0.31 0.00 0.21 -0.22 -3.33 0.00 0.00 175.10 172.07 3f1g s LEU 83 N -2.63 4.31 -0.09 2.54 1.98 -1.26 -1.60 118.68 121.93 3f1g s LEU 83 Ca 0.05 0.47 -0.08 0.00 -2.89 0.00 0.00 54.13 51.68 3f1g s LEU 83 Cb -0.01 -2.22 -0.04 0.00 0.66 0.00 0.00 46.19 44.58 3f1g s LEU 83 CO -0.08 0.25 0.18 -0.51 -1.89 0.00 0.00 176.35 174.29 3f1g s ILE 84 N -0.22 5.44 -0.02 6.68 1.10 0.26 -1.36 121.20 133.09 3f1g s ILE 84 Ca 0.14 0.25 0.02 0.00 -0.51 0.00 0.00 60.65 60.56 3f1g s ILE 84 Cb -0.13 -3.45 -0.03 0.00 0.15 0.00 0.00 42.46 39.00 3f1g s ILE 84 CO 0.03 0.58 0.02 -1.14 -2.11 0.00 0.00 174.94 172.33 3f1g n ARG 85 N 1.85 2.51 -1.02 3.50 0.63 0.27 -2.98 116.66 121.42 3f1g n ARG 85 Ca -0.18 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 3f1g n ARG 85 Cb 0.54 -1.06 0.00 0.00 0.45 0.00 0.00 32.46 32.39 3f1g n ARG 85 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3f1g n GLY 86 N 2.69 -4.25 0.00 5.14 0.00 -1.22 -4.74 105.19 102.81 3f1g n GLY 86 Ca -0.03 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.39 3f1g n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1g n GLY 87 N 0.57 1.87 0.00 -0.02 0.00 -1.02 -4.50 105.19 102.09 3f1g n GLY 87 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 3f1g n GLY 87 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3f1g n ARG 88 N 0.00 -0.58 -3.40 1.61 1.85 -1.26 -3.21 116.66 111.67 3f1g n ARG 88 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 3f1g n ARG 88 Cb 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.31 3f1g n ARG 88 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3f1g s VAL 89 N -0.75 -0.51 0.45 8.89 1.01 -1.19 -4.86 120.40 123.44 3f1g s VAL 89 Ca 0.00 -0.09 0.25 0.00 0.00 0.00 0.00 61.98 62.14 3f1g s VAL 89 Cb 0.00 -0.77 0.45 0.00 0.00 0.00 0.00 36.38 36.06 3f1g s VAL 89 CO 0.00 -0.15 1.78 0.11 0.00 0.00 0.00 175.10 176.84 3f1g h LYS 90 N 8.23 0.24 0.00 2.72 1.79 -1.98 -2.09 116.57 125.48 3f1g h LYS 90 Ca -0.19 -0.01 -0.17 0.00 -2.18 0.00 0.00 60.65 58.10 3f1g h LYS 90 Cb 1.15 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.73 3f1g h LYS 90 CO 0.28 0.16 -0.79 0.22 -1.08 0.00 0.00 179.45 178.23 3f1g h ASP 91 N 0.24 0.00 -3.68 0.86 3.58 -2.00 -3.45 116.42 111.97 3f1g h ASP 91 Ca 0.58 0.00 -0.68 0.00 0.42 0.00 0.00 57.03 57.35 3f1g h ASP 91 Cb 1.78 0.00 -0.30 0.00 1.72 0.00 0.00 39.33 42.53 3f1g h ASP 91 CO -0.20 0.79 -0.84 -0.76 -2.88 0.00 0.00 179.24 175.35 3f1g s LEU 92 N -7.08 2.31 0.03 2.28 1.43 -0.79 -0.24 118.68 116.62 3f1g s LEU 92 Ca 0.00 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.36 3f1g s LEU 92 Cb 0.11 -1.46 -0.08 0.00 0.03 0.00 0.00 46.19 44.79 3f1g s LEU 92 CO 0.79 0.22 1.74 -2.84 0.23 0.00 0.00 176.35 176.48 3f1g s PRO 93 N 0.02 4.18 -0.27 1.29 0.02 -1.26 -4.08 135.00 134.89 3f1g s PRO 93 Ca -0.07 2.38 -0.13 0.00 0.02 0.00 0.00 61.00 63.19 3f1g s PRO 93 Cb -0.15 -3.83 0.02 0.00 0.02 0.00 0.00 34.50 30.56 3f1g s PRO 93 CO 0.05 -0.82 0.29 0.41 -0.33 0.00 0.00 177.00 176.60 3f1g n GLY 94 N 4.18 -1.24 2.77 0.52 0.00 -1.26 -5.01 105.19 105.14 3f1g n GLY 94 Ca 0.17 0.66 -0.11 0.00 0.00 0.00 0.00 46.02 46.75 3f1g n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1g s VAL 95 N -1.59 -0.57 -0.40 1.61 1.01 -1.26 -4.87 120.40 114.34 3f1g s VAL 95 Ca 0.15 -1.15 0.08 0.00 0.00 0.00 0.00 61.98 61.07 3f1g s VAL 95 Cb -0.02 -0.41 0.60 0.00 0.00 0.00 0.00 36.38 36.54 3f1g s VAL 95 CO 0.57 -0.39 1.54 0.54 0.00 0.00 0.00 175.10 177.35 3f1g n ARG 96 N 3.51 3.40 -3.69 2.72 1.74 -1.26 -3.15 116.66 119.93 3f1g n ARG 96 Ca 0.17 -2.40 -0.14 0.00 -0.77 0.00 0.00 57.85 54.72 3f1g n ARG 96 Cb 0.52 -2.04 -0.09 0.00 -1.02 0.00 0.00 32.46 29.83 3f1g n ARG 96 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3f1g s TYR 97 N -2.41 -0.49 -0.06 -1.55 1.51 -1.20 -2.42 117.35 110.73 3f1g s TYR 97 Ca 0.43 1.09 -0.04 0.00 -1.01 0.00 0.00 57.07 57.54 3f1g s TYR 97 Cb 0.34 0.20 -0.04 0.00 -0.11 0.00 0.00 41.96 42.34 3f1g s TYR 97 CO 0.11 -0.33 0.13 -1.01 -1.11 0.00 0.00 175.55 173.34 3f1g s HIS 98 N -0.24 3.48 0.78 2.71 3.76 -1.24 -1.20 115.29 123.34 3f1g s HIS 98 Ca -0.04 0.38 -0.11 0.00 -0.15 0.00 0.00 55.06 55.14 3f1g s HIS 98 Cb -0.03 -1.85 0.06 0.00 1.11 0.00 0.00 32.58 31.86 3f1g s HIS 98 CO 0.03 0.65 1.08 -1.50 -0.85 0.00 0.00 174.74 174.15 3f1g s ILE 99 N -1.13 3.33 -0.26 0.60 1.10 0.82 0.94 121.20 126.60 3f1g s ILE 99 Ca 0.20 0.43 -0.04 0.00 -0.51 0.00 0.00 60.65 60.73 3f1g s ILE 99 Cb -0.12 -3.13 0.01 0.00 0.15 0.00 0.00 42.46 39.37 3f1g s ILE 99 CO 0.10 -0.57 -0.00 -0.69 -2.11 0.00 0.00 174.94 171.67 3f1g s VAL 100 N -3.08 3.38 0.12 4.00 1.01 -0.46 -4.69 120.40 120.69 3f1g s VAL 100 Ca 0.60 -0.79 -0.31 0.00 0.00 0.00 0.00 61.98 61.48 3f1g s VAL 100 Cb -0.15 -2.69 -0.08 0.00 0.00 0.00 0.00 36.38 33.46 3f1g s VAL 100 CO 0.55 0.20 1.34 -0.13 0.00 0.00 0.00 175.10 177.06 3f1g s ARG 101 N 1.42 4.35 0.00 2.72 1.81 -1.26 -3.70 118.95 124.30 3f1g s ARG 101 Ca 0.02 2.02 0.00 0.00 -1.72 0.00 0.00 55.73 56.05 3f1g s ARG 101 Cb -0.16 -3.25 0.00 0.00 -0.45 0.00 0.00 34.95 31.08 3f1g s ARG 101 CO -0.02 -0.37 0.00 0.41 -0.68 0.00 0.00 175.30 174.64 3f1g n GLY 102 N 3.22 1.06 3.02 -3.53 0.00 -0.47 -3.55 105.19 104.93 3f1g n GLY 102 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 3f1g n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1g s VAL 103 N -2.00 0.73 0.00 1.61 1.01 -0.98 -4.90 120.40 115.86 3f1g s VAL 103 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.60 3f1g s VAL 103 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.76 3f1g s VAL 103 CO 0.00 0.21 0.00 -1.22 0.00 0.00 0.00 175.10 174.09 3f1g n TYR 104 N 2.96 0.00 1.19 5.22 0.53 -1.26 -2.08 117.16 123.72 3f1g n TYR 104 Ca -0.15 0.00 0.08 0.00 -1.02 0.00 0.00 57.90 56.82 3f1g n TYR 104 Cb 0.56 0.04 0.48 0.00 -1.03 0.00 0.00 39.34 39.39 3f1g n TYR 104 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 3f1g n ASP 105 N -1.23 0.00 -4.50 7.72 8.00 -1.03 -4.55 116.55 120.96 3f1g n ASP 105 Ca 0.00 -0.69 -0.43 0.00 0.71 0.00 0.00 54.79 54.39 3f1g n ASP 105 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 3f1g n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f1g s ALA 106 N -2.00 3.42 1.29 2.24 0.00 -0.88 -4.62 121.76 121.20 3f1g s ALA 106 Ca 0.24 -1.37 -0.21 0.00 0.00 0.00 0.00 51.96 50.62 3f1g s ALA 106 Cb 0.11 -3.10 0.32 0.00 0.00 0.00 0.00 23.12 20.45 3f1g s ALA 106 CO 0.19 -1.57 1.06 0.00 0.00 0.00 0.00 175.76 175.43 3f1g s ALA 107 N 2.32 0.18 0.53 0.00 0.00 -1.26 -1.37 121.76 122.16 3f1g s ALA 107 Ca 0.15 -0.97 -0.00 0.00 0.00 0.00 0.00 51.96 51.14 3f1g s ALA 107 Cb -0.16 -2.88 0.02 0.00 0.00 0.00 0.00 23.12 20.11 3f1g s ALA 107 CO 0.15 -3.97 0.77 0.20 0.00 0.00 0.00 175.76 172.91 3f1g s GLY 108 N -3.73 1.72 -0.05 0.00 0.00 -1.24 -1.44 107.32 102.59 3f1g s GLY 108 Ca 0.71 -1.18 -0.30 0.00 0.00 0.00 0.00 44.72 43.95 3f1g s GLY 108 CO 0.56 -0.92 1.55 0.14 0.00 0.00 0.00 173.10 174.43 3f1g s VAL 109 N -2.75 3.68 0.04 1.40 1.01 -0.79 -4.93 120.40 118.05 3f1g s VAL 109 Ca 0.55 0.89 -0.30 0.00 0.00 0.00 0.00 61.98 63.11 3f1g s VAL 109 Cb -0.10 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 3f1g s VAL 109 CO 0.39 -0.06 1.60 -0.75 0.00 0.00 0.00 175.10 176.28 3f1g s LYS 110 N 3.57 4.21 -0.12 2.72 2.20 -1.26 -3.45 119.74 127.62 3f1g s LYS 110 Ca 0.69 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 58.54 3f1g s LYS 110 Cb -0.32 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.35 3f1g s LYS 110 CO 0.27 -0.72 0.00 -0.25 -0.36 0.00 0.00 175.35 174.29 3f1g n ASP 111 N 5.78 -3.83 -4.72 1.43 8.00 -1.26 -5.00 116.55 116.94 3f1g n ASP 111 Ca 0.15 0.03 -0.42 0.00 0.71 0.00 0.00 54.79 55.26 3f1g n ASP 111 Cb 0.41 -1.43 -0.03 0.00 -0.02 0.00 0.00 41.12 40.05 3f1g n ASP 111 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3f1g s ARG 112 N -0.93 4.44 -0.15 -1.24 3.52 -1.22 -4.92 118.95 118.46 3f1g s ARG 112 Ca 0.00 1.83 0.12 0.00 -0.13 0.00 0.00 55.73 57.55 3f1g s ARG 112 Cb 0.00 -3.30 -0.18 0.00 -1.56 0.00 0.00 34.95 29.91 3f1g s ARG 112 CO 0.00 -0.22 0.04 1.63 -0.81 0.00 0.00 175.30 175.94 3f1g n LYS 113 N 3.47 1.56 -3.46 5.12 4.76 -1.26 -4.83 118.16 123.53 3f1g n LYS 113 Ca 0.08 -0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.14 3f1g n LYS 113 Cb 0.45 -1.37 -0.08 0.00 -1.84 0.00 0.00 35.03 32.19 3f1g n LYS 113 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3f1g s LYS 114 N -2.35 4.16 -1.07 1.97 1.02 -1.26 -4.54 119.74 117.67 3f1g s LYS 114 Ca -0.08 0.10 -0.01 0.00 0.02 0.00 0.00 55.97 55.99 3f1g s LYS 114 Cb 0.04 -3.52 -0.01 0.00 -0.52 0.00 0.00 37.83 33.82 3f1g s LYS 114 CO 0.58 0.01 0.90 0.43 -0.92 0.00 0.00 175.35 176.36 3f1g n SER 115 N 4.33 -2.93 0.27 2.83 7.64 -1.26 -4.89 113.62 119.61 3f1g n SER 115 Ca -0.10 -0.59 0.17 0.00 1.01 0.00 0.00 58.87 59.36 3f1g n SER 115 Cb 0.51 -4.77 0.68 0.00 -1.01 0.00 0.00 64.21 59.62 3f1g n SER 115 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3f1g h ARG 116 N -1.59 0.00 -0.32 1.43 3.08 -1.86 -3.01 114.38 112.10 3f1g h ARG 116 Ca -0.55 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.45 3f1g h ARG 116 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.34 3f1g h ARG 116 CO 0.45 0.00 -0.02 1.03 -1.07 0.00 0.00 179.97 180.36 3f1g h SER 117 N 0.00 0.47 0.15 7.04 0.87 -1.90 0.33 113.55 120.50 3f1g h SER 117 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 3f1g h SER 117 Cb 0.50 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3f1g h SER 117 CO 0.00 0.55 -0.12 0.29 -0.53 0.00 0.00 176.83 177.02 3f1g n LYS 118 N -4.28 1.12 -0.44 2.24 5.02 -1.14 -3.80 118.16 116.88 3f1g n LYS 118 Ca 0.01 -0.58 0.05 0.00 -2.02 0.00 0.00 58.31 55.77 3f1g n LYS 118 Cb 0.25 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 33.84 3f1g n LYS 118 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3f1g n TYR 119 N -0.43 0.00 -3.78 2.13 4.02 -0.61 -4.85 117.16 113.64 3f1g n TYR 119 Ca 0.16 -0.53 -0.32 0.00 -0.01 0.00 0.00 57.90 57.19 3f1g n TYR 119 Cb 0.32 -0.11 0.02 0.00 -0.02 0.00 0.00 39.34 39.55 3f1g n TYR 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3f1g n GLY 120 N -0.57 -1.04 2.96 2.72 0.00 0.01 -1.89 105.19 107.37 3f1g n GLY 120 Ca 0.08 0.45 -0.24 0.00 0.00 0.00 0.00 46.02 46.31 3f1g n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3f1g s THR 121 N -3.34 0.95 0.95 2.61 2.01 -0.75 -3.67 115.64 114.39 3f1g s THR 121 Ca 0.34 -0.33 -0.11 0.00 0.31 0.00 0.00 61.69 61.90 3f1g s THR 121 Cb -0.15 -0.91 0.16 0.00 0.01 0.00 0.00 72.50 71.61 3f1g s THR 121 CO 0.90 0.33 1.10 -0.75 -0.69 0.00 0.00 174.62 175.50 3f1g s LYS 122 N 1.01 0.79 -0.09 4.92 2.47 -1.26 -4.67 119.74 122.91 3f1g s LYS 122 Ca -0.09 1.17 -0.30 0.00 -1.56 0.00 0.00 55.97 55.20 3f1g s LYS 122 Cb -0.15 -1.73 -0.04 0.00 -1.46 0.00 0.00 37.83 34.46 3f1g s LYS 122 CO -0.00 -2.67 1.38 0.21 0.16 0.00 0.00 175.35 174.43 3f1g s LYS 123 N -4.70 4.25 0.35 4.03 2.47 -1.26 -5.00 119.74 119.88 3f1g s LYS 123 Ca 0.66 1.86 -0.28 0.00 -1.56 0.00 0.00 55.97 56.64 3f1g s LYS 123 Cb -0.21 -3.74 -0.11 0.00 -1.46 0.00 0.00 37.83 32.31 3f1g s LYS 123 CO 0.59 -0.68 1.45 -1.25 0.16 0.00 0.00 175.35 175.62 3f1g s PRO 124 N 3.19 4.18 0.00 4.03 0.04 -1.26 -5.27 135.00 139.92 3f1g s PRO 124 Ca 0.61 2.47 0.09 0.00 0.04 0.00 0.00 61.00 64.21 3f1g s PRO 124 Cb -0.27 -3.01 0.52 0.00 0.04 0.00 0.00 34.50 31.79 3f1g s PRO 124 CO 0.22 -0.45 0.98 1.17 0.04 0.00 0.00 177.00 178.96