#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c2n s ASP 2 N 0.00 6.18 0.42 1.61 -1.08 -1.26 -4.77 116.67 117.77 1c2n s ASP 2 Ca 0.00 -0.64 0.20 0.00 -0.52 0.00 0.00 52.55 51.60 1c2n s ASP 2 Cb 0.00 -2.52 1.15 0.00 -1.46 0.00 0.00 42.92 40.09 1c2n s ASP 2 CO 0.00 -1.72 1.81 0.00 0.52 0.00 0.00 175.17 175.77 1c2n h ALA 3 N 9.90 2.32 -0.08 3.66 0.00 -1.88 0.83 119.26 134.02 1c2n h ALA 3 Ca -0.26 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1c2n h ALA 3 Cb 1.05 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1c2n h ALA 3 CO 1.26 -0.68 -0.02 0.00 0.00 0.00 0.00 179.25 179.81 1c2n h ALA 4 N 1.59 0.11 -0.80 0.00 0.00 -1.90 0.16 119.26 118.42 1c2n h ALA 4 Ca 0.54 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.30 1c2n h ALA 4 Cb 1.47 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.17 1c2n h ALA 4 CO -0.22 -0.17 0.48 0.87 0.00 0.00 0.00 179.25 180.21 1c2n h LYS 5 N -0.19 0.84 -0.31 0.00 1.79 -1.65 -1.30 116.57 115.75 1c2n h LYS 5 Ca 0.02 -0.05 0.05 0.00 -2.18 0.00 0.00 60.65 58.49 1c2n h LYS 5 Cb 0.43 -0.19 -0.05 0.00 -1.58 0.00 0.00 32.23 30.84 1c2n h LYS 5 CO 0.01 0.56 0.01 0.78 -1.08 0.00 0.00 179.45 179.73 1c2n h GLY 6 N 0.87 0.31 0.77 3.86 0.00 -0.58 0.16 103.07 108.45 1c2n h GLY 6 Ca 0.35 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.73 1c2n h GLY 6 CO -0.18 -0.06 -0.08 -2.09 0.00 0.00 0.00 176.54 174.13 1c2n h GLU 7 N 0.11 -0.13 -0.33 4.80 4.81 -0.03 0.29 114.58 124.09 1c2n h GLU 7 Ca 0.15 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1c2n h GLU 7 Cb 0.19 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1c2n h GLU 7 CO -0.24 -0.09 0.21 0.87 -0.73 0.00 0.00 179.01 179.03 1c2n h LYS 8 N -0.14 0.41 0.00 1.92 1.57 -0.85 -1.83 116.57 117.65 1c2n h LYS 8 Ca 0.04 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1c2n h LYS 8 Cb 0.19 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1c2n h LYS 8 CO -0.10 0.27 -0.05 1.49 -0.57 0.00 0.00 179.45 180.50 1c2n h GLU 9 N 0.43 0.00 0.00 3.15 4.57 -0.32 -0.83 114.58 121.58 1c2n h GLU 9 Ca 0.12 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1c2n h GLU 9 Cb -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1c2n h GLU 9 CO -0.04 0.05 0.10 0.35 -1.18 0.00 0.00 179.01 178.29 1c2n h PHE 10 N 0.00 0.00 -0.38 0.92 3.57 0.46 0.52 116.94 122.03 1c2n h PHE 10 Ca -0.00 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 1c2n h PHE 10 Cb 0.10 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1c2n h PHE 10 CO 0.00 0.00 0.30 -0.91 -2.23 0.00 0.00 178.31 175.47 1c2n h ASN 11 N 0.00 0.00 0.25 0.41 2.35 -1.23 0.13 115.58 117.49 1c2n h ASN 11 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1c2n h ASN 11 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1c2n h ASN 11 CO 0.00 0.00 -0.12 0.11 -1.65 0.00 0.00 177.43 175.77 1c2n h LYS 12 N 0.00 -0.32 -0.62 0.81 1.79 -1.12 -3.29 116.57 113.82 1c2n h LYS 12 Ca 0.18 0.02 0.13 0.00 -2.18 0.00 0.00 60.65 58.80 1c2n h LYS 12 Cb 0.77 0.07 -0.10 0.00 -1.58 0.00 0.00 32.23 31.40 1c2n h LYS 12 CO -0.00 0.04 0.08 0.00 -1.08 0.00 0.00 179.45 178.48 1c2n h LYS 14 N 0.19 0.08 -0.74 0.00 3.64 -0.88 0.10 116.57 118.96 1c2n h LYS 14 Ca 0.33 -0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.89 1c2n h LYS 14 Cb 0.52 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 1c2n h LYS 14 CO -0.47 0.05 0.51 1.15 -2.27 0.00 0.00 179.45 178.42 1c2n h THR 15 N 0.08 0.70 0.00 1.00 2.02 -1.13 -1.04 112.91 114.54 1c2n h THR 15 Ca 0.61 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.72 1c2n h THR 15 Cb 2.23 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 1c2n h THR 15 CO -0.09 0.04 -0.91 0.00 0.37 0.00 0.00 175.52 174.93 1c2n n HIS 17 N -2.25 -2.37 -3.97 0.00 8.25 0.19 0.11 115.22 115.18 1c2n n HIS 17 Ca 0.00 -1.33 -0.13 0.00 -0.26 0.00 0.00 57.72 56.00 1c2n n HIS 17 Cb 0.45 -0.34 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 1c2n n HIS 17 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1c2n s SER 18 N -3.21 0.60 -0.14 0.41 0.15 -1.13 -1.69 113.70 108.70 1c2n s SER 18 Ca 0.36 -1.39 -0.04 0.00 0.70 0.00 0.00 55.95 55.58 1c2n s SER 18 Cb -0.03 0.76 0.06 0.00 -1.71 0.00 0.00 66.02 65.10 1c2n s SER 18 CO 0.23 -1.50 0.17 -0.63 1.20 0.00 0.00 173.24 172.71 1c2n s ILE 19 N -2.62 -0.26 0.04 6.45 1.01 -1.26 -0.51 121.20 124.06 1c2n s ILE 19 Ca 0.24 0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.01 1c2n s ILE 19 Cb -0.03 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 1c2n s ILE 19 CO 0.17 -0.04 0.15 -0.51 0.00 0.00 0.00 174.94 174.71 1c2n s ILE 20 N 2.28 5.05 0.68 2.92 1.10 -1.26 -1.46 121.20 130.52 1c2n s ILE 20 Ca 0.04 -0.45 -0.12 0.00 -0.51 0.00 0.00 60.65 59.60 1c2n s ILE 20 Cb -0.14 -3.41 0.01 0.00 0.15 0.00 0.00 42.46 39.06 1c2n s ILE 20 CO -0.08 0.21 1.07 0.00 -2.11 0.00 0.00 174.94 174.02 1c2n s ALA 21 N -1.39 2.57 0.41 1.50 0.00 0.67 -4.83 121.76 120.69 1c2n s ALA 21 Ca 0.30 0.26 0.09 0.00 0.00 0.00 0.00 51.96 52.60 1c2n s ALA 21 Cb -0.13 -3.23 0.89 0.00 0.00 0.00 0.00 23.12 20.66 1c2n s ALA 21 CO 0.22 -1.25 2.04 -1.00 0.00 0.00 0.00 175.76 175.77 1c2n h PRO 22 N -0.44 0.51 0.00 0.00 0.13 -1.89 0.82 132.00 131.14 1c2n h PRO 22 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1c2n h PRO 22 Cb 1.22 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1c2n h PRO 22 CO 0.55 0.34 0.00 -0.40 -0.23 0.00 0.00 178.00 178.26 1c2n n ASP 23 N -4.47 0.26 0.00 1.44 5.68 -1.26 -4.91 116.55 113.28 1c2n n ASP 23 Ca 0.05 0.54 0.00 0.00 -0.50 0.00 0.00 54.79 54.88 1c2n n ASP 23 Cb 0.14 -0.60 0.00 0.00 -1.14 0.00 0.00 41.12 39.52 1c2n n ASP 23 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c2n n GLY 24 N 0.74 1.46 3.71 6.12 0.00 0.28 -5.07 105.19 112.42 1c2n n GLY 24 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1c2n n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c2n s THR 25 N -2.20 2.35 -1.12 2.61 2.01 -1.26 -4.59 115.64 113.44 1c2n s THR 25 Ca 0.00 0.09 -0.23 0.00 0.31 0.00 0.00 61.69 61.86 1c2n s THR 25 Cb 0.00 -3.06 -0.06 0.00 0.01 0.00 0.00 72.50 69.39 1c2n s THR 25 CO 0.00 0.00 1.91 -1.61 -0.69 0.00 0.00 174.62 174.23 1c2n s GLU 26 N 1.95 2.64 0.07 4.92 2.02 -1.26 -0.24 118.70 128.80 1c2n s GLU 26 Ca 0.77 -1.00 -0.37 0.00 0.02 0.00 0.00 54.97 54.38 1c2n s GLU 26 Cb -0.47 -5.22 -0.20 0.00 0.10 0.00 0.00 34.13 28.34 1c2n s GLU 26 CO 0.34 -3.67 1.57 0.82 0.02 0.00 0.00 175.26 174.34 1c2n h ILE 27 N 6.43 0.00 0.19 -1.63 1.08 -1.87 -3.28 117.51 118.42 1c2n h ILE 27 Ca 0.20 0.00 -0.34 0.00 -0.39 0.00 0.00 64.86 64.33 1c2n h ILE 27 Cb 0.95 0.00 0.01 0.00 -3.07 0.00 0.00 36.82 34.71 1c2n h ILE 27 CO 1.24 0.00 -1.68 0.58 -0.69 0.00 0.00 178.15 177.60 1c2n h VAL 28 N -1.25 1.02 -5.89 1.67 2.07 -1.57 -3.49 116.25 108.81 1c2n h VAL 28 Ca -0.11 -2.58 -0.38 0.00 0.82 0.00 0.00 66.70 64.44 1c2n h VAL 28 Cb 1.00 2.80 0.11 0.00 -1.52 0.00 0.00 31.29 33.67 1c2n h VAL 28 CO 0.13 0.85 -0.77 1.17 0.02 0.00 0.00 177.57 178.97 1c2n n LYS 29 N -3.59 -6.21 -0.72 1.57 4.81 -1.24 -4.93 118.16 107.85 1c2n n LYS 29 Ca -0.22 0.75 -0.06 0.00 -0.87 0.00 0.00 58.31 57.91 1c2n n LYS 29 Cb 1.08 -5.62 0.04 0.00 0.02 0.00 0.00 35.03 30.54 1c2n n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1c2n n GLY 30 N -1.47 -0.28 3.74 3.14 0.00 -1.26 -5.06 105.19 104.00 1c2n n GLY 30 Ca -0.21 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.70 1c2n n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c2n s ALA 31 N -3.45 1.41 -0.17 4.61 0.00 -0.39 -4.67 121.76 119.10 1c2n s ALA 31 Ca 0.16 -0.53 0.14 0.00 0.00 0.00 0.00 51.96 51.73 1c2n s ALA 31 Cb -0.01 -3.04 0.43 0.00 0.00 0.00 0.00 23.12 20.50 1c2n s ALA 31 CO 0.11 -2.58 1.20 1.63 0.00 0.00 0.00 175.76 176.12 1c2n n LYS 32 N -3.98 1.37 -0.11 0.00 4.01 -1.10 -2.85 118.16 115.49 1c2n n LYS 32 Ca 0.07 -3.08 -0.13 0.00 -0.51 0.00 0.00 58.31 54.66 1c2n n LYS 32 Cb 0.59 -1.30 -0.03 0.00 -0.51 0.00 0.00 35.03 33.78 1c2n n LYS 32 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 1c2n h THR 33 N 2.49 1.28 -1.72 -0.18 2.02 -0.66 -3.44 112.91 112.71 1c2n h THR 33 Ca -0.03 -1.54 -0.51 0.00 0.77 0.00 0.00 66.41 65.10 1c2n h THR 33 Cb 1.24 1.46 -0.05 0.00 -1.74 0.00 0.00 68.15 69.06 1c2n h THR 33 CO 0.07 0.51 -0.44 -0.83 0.37 0.00 0.00 175.52 175.20 1c2n s GLY 34 N -3.80 1.97 1.17 2.16 0.00 0.22 -4.99 107.32 104.05 1c2n s GLY 34 Ca -0.11 -1.80 -0.17 0.00 0.00 0.00 0.00 44.72 42.63 1c2n s GLY 34 CO 0.87 -1.67 0.39 -1.05 0.00 0.00 0.00 173.10 171.63 1c2n n PRO 35 N -1.39 -2.47 -2.89 2.90 -0.02 -1.26 -4.44 135.00 125.43 1c2n n PRO 35 Ca -0.00 -0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 60.35 1c2n n PRO 35 Cb 0.61 -1.77 -0.04 0.00 -0.02 0.00 0.00 33.50 32.28 1c2n n PRO 35 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1c2n s ASN 36 N -2.15 6.89 0.00 2.55 3.84 -1.26 -3.76 114.94 121.04 1c2n s ASN 36 Ca 0.56 1.10 0.30 0.00 0.21 0.00 0.00 52.86 55.03 1c2n s ASN 36 Cb -0.13 -2.44 1.39 0.00 -0.55 0.00 0.00 41.25 39.51 1c2n s ASN 36 CO 0.58 -0.46 1.94 0.18 -2.79 0.00 0.00 177.10 176.55 1c2n n LEU 37 N 5.63 0.60 -4.62 3.21 4.77 0.33 -4.77 117.00 122.16 1c2n n LEU 37 Ca 0.05 -0.13 -0.43 0.00 -0.03 0.00 0.00 56.01 55.47 1c2n n LEU 37 Cb 0.48 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1c2n n LEU 37 CO 0.48 0.10 1.76 0.00 -1.33 0.00 0.00 177.39 178.40 1c2n n TYR 38 N -0.66 2.15 -0.83 -1.77 9.36 -1.25 -0.85 117.16 123.30 1c2n n TYR 38 Ca 0.19 -0.20 0.00 0.00 3.32 0.00 0.00 57.90 61.21 1c2n n TYR 38 Cb 0.25 -2.75 0.00 0.00 -0.63 0.00 0.00 39.34 36.21 1c2n n TYR 38 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1c2n n GLY 39 N 5.34 0.51 0.35 2.98 0.00 -1.26 -4.94 105.19 108.17 1c2n n GLY 39 Ca 0.27 -0.87 -0.05 0.00 0.00 0.00 0.00 46.02 45.37 1c2n n GLY 39 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1c2n h VAL 40 N 0.00 1.26 -1.94 1.61 3.04 -1.30 -3.36 116.25 115.56 1c2n h VAL 40 Ca 0.00 -0.76 -0.54 0.00 -1.01 0.00 0.00 66.70 64.39 1c2n h VAL 40 Cb 0.03 0.24 -0.00 0.00 -2.01 0.00 0.00 31.29 29.55 1c2n h VAL 40 CO 0.00 0.32 1.51 -0.69 -1.01 0.00 0.00 177.57 177.70 1c2n s VAL 41 N -5.62 3.07 0.00 1.51 1.01 -1.26 -0.52 120.40 118.59 1c2n s VAL 41 Ca -0.12 0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1c2n s VAL 41 Cb 0.16 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1c2n s VAL 41 CO 0.83 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.45 1c2n n GLY 42 N 5.81 2.33 3.77 4.51 0.00 0.92 -5.02 105.19 117.50 1c2n n GLY 42 Ca 0.31 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.93 1c2n n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1c2n s ARG 43 N -0.54 4.26 -1.02 1.61 3.52 0.33 -4.53 118.95 122.57 1c2n s ARG 43 Ca 0.00 2.09 -0.21 0.00 -0.13 0.00 0.00 55.73 57.47 1c2n s ARG 43 Cb 0.00 -2.95 -0.10 0.00 -1.56 0.00 0.00 34.95 30.34 1c2n s ARG 43 CO 0.00 -0.22 1.94 2.41 -0.81 0.00 0.00 175.30 178.61 1c2n n THR 44 N 0.58 2.18 -3.03 4.11 -1.04 -1.26 -0.71 114.28 115.11 1c2n n THR 44 Ca 0.01 -2.07 0.00 0.00 -2.04 0.00 0.00 64.05 59.95 1c2n n THR 44 Cb 0.43 -2.30 0.00 0.00 -1.82 0.00 0.00 70.33 66.65 1c2n n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1c2n n ALA 45 N 9.82 0.00 -1.75 2.41 0.00 -0.69 -3.75 120.51 126.54 1c2n n ALA 45 Ca 0.48 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.56 1c2n n ALA 45 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 1c2n n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c2n n GLY 46 N 0.00 1.87 0.00 0.00 0.00 -1.25 -4.33 105.19 101.48 1c2n n GLY 46 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1c2n n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1c2n n THR 47 N 6.89 0.28 -1.96 2.61 -2.24 -1.25 -4.50 114.28 114.11 1c2n n THR 47 Ca 0.47 -0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 61.45 1c2n n THR 47 Cb 0.44 1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.72 1c2n n THR 47 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1c2n s TYR 48 N -0.28 2.66 1.24 4.78 6.14 -1.26 -4.97 117.35 125.65 1c2n s TYR 48 Ca 0.00 0.46 -0.17 0.00 0.64 0.00 0.00 57.07 58.01 1c2n s TYR 48 Cb 0.00 -3.92 0.27 0.00 0.42 0.00 0.00 41.96 38.73 1c2n s TYR 48 CO 0.00 -3.58 0.71 -2.30 0.64 0.00 0.00 175.55 171.02 1c2n n PRO 49 N 5.09 -2.93 -4.07 4.97 -0.02 -1.26 -3.93 135.00 132.85 1c2n n PRO 49 Ca 0.15 -0.84 -0.29 0.00 -2.02 0.00 0.00 63.50 60.49 1c2n n PRO 49 Cb 0.40 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 1c2n n PRO 49 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1c2n n GLU 50 N -4.34 -3.04 -3.29 -0.52 1.02 -1.26 -4.96 120.64 104.25 1c2n n GLU 50 Ca 0.04 0.36 -0.02 0.00 -0.02 0.00 0.00 57.16 57.53 1c2n n GLU 50 Cb 0.56 -4.61 -0.04 0.00 -0.02 0.00 0.00 31.44 27.32 1c2n n GLU 50 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1c2n s PHE 51 N -3.79 -1.26 -1.04 -0.32 2.19 -1.25 -5.06 117.98 107.44 1c2n s PHE 51 Ca 0.23 1.45 -0.23 0.00 0.33 0.00 0.00 56.93 58.71 1c2n s PHE 51 Cb -0.13 0.38 0.05 0.00 -1.31 0.00 0.00 43.02 42.01 1c2n s PHE 51 CO 0.91 -0.78 1.47 0.21 1.83 0.00 0.00 175.22 178.86 1c2n s LYS 52 N 2.74 3.63 0.54 10.12 2.47 -1.26 -4.93 119.74 133.05 1c2n s LYS 52 Ca 0.14 -1.20 -0.09 0.00 -1.56 0.00 0.00 55.97 53.26 1c2n s LYS 52 Cb -0.15 -5.37 0.13 0.00 -1.46 0.00 0.00 37.83 30.98 1c2n s LYS 52 CO -0.18 -2.21 0.59 0.66 0.16 0.00 0.00 175.35 174.37 1c2n n TYR 53 N 8.83 -3.71 -2.57 4.03 4.02 -1.26 -5.09 117.16 121.41 1c2n n TYR 53 Ca 0.34 -0.53 -0.24 0.00 -0.01 0.00 0.00 57.90 57.46 1c2n n TYR 53 Cb 0.51 -0.53 0.03 0.00 -0.02 0.00 0.00 39.34 39.33 1c2n n TYR 53 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1c2n s LYS 54 N -4.32 2.77 0.28 -0.72 1.02 -1.26 -5.01 119.74 112.50 1c2n s LYS 54 Ca 0.36 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 56.04 1c2n s LYS 54 Cb -0.02 -2.37 0.42 0.00 -0.52 0.00 0.00 37.83 35.33 1c2n s LYS 54 CO 0.26 -0.67 1.75 0.22 -0.92 0.00 0.00 175.35 175.99 1c2n h ASP 55 N -0.04 0.53 0.63 2.83 3.58 -1.98 -3.11 116.42 118.85 1c2n h ASP 55 Ca -0.45 -0.16 -0.03 0.00 0.42 0.00 0.00 57.03 56.81 1c2n h ASP 55 Cb 1.27 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 42.18 1c2n h ASP 55 CO 0.58 0.73 -0.37 0.77 -2.88 0.00 0.00 179.24 178.06 1c2n h SER 56 N 0.49 -0.94 -0.51 2.28 4.64 -1.91 0.11 113.55 117.71 1c2n h SER 56 Ca 0.08 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1c2n h SER 56 Cb 0.59 0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.93 1c2n h SER 56 CO 0.04 -0.58 0.31 -0.29 -0.87 0.00 0.00 176.83 175.44 1c2n h ILE 57 N -0.93 1.15 -0.07 0.95 2.10 -1.83 0.84 117.51 119.72 1c2n h ILE 57 Ca -0.08 -0.33 -0.01 0.00 1.08 0.00 0.00 64.86 65.52 1c2n h ILE 57 Cb 0.74 0.42 -0.00 0.00 -1.09 0.00 0.00 36.82 36.89 1c2n h ILE 57 CO 0.09 0.15 0.00 0.58 -1.08 0.00 0.00 178.15 177.90 1c2n h VAL 58 N 0.71 1.24 -0.74 2.19 2.07 -1.45 -0.80 116.25 119.48 1c2n h VAL 58 Ca 0.19 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 66.97 1c2n h VAL 58 Cb -0.03 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1c2n h VAL 58 CO -0.04 0.21 0.47 0.00 0.02 0.00 0.00 177.57 178.24 1c2n h ALA 59 N 0.73 0.97 -0.51 1.67 0.00 -0.09 0.88 119.26 122.90 1c2n h ALA 59 Ca 0.02 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1c2n h ALA 59 Cb 0.33 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1c2n h ALA 59 CO 0.00 0.28 0.30 1.25 0.00 0.00 0.00 179.25 181.08 1c2n h LEU 60 N 0.93 0.48 0.01 0.00 5.85 -0.71 0.20 115.31 122.08 1c2n h LEU 60 Ca 0.29 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.05 1c2n h LEU 60 Cb -0.01 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1c2n h LEU 60 CO -0.10 0.34 -0.20 1.23 -0.34 0.00 0.00 178.44 179.37 1c2n h GLY 61 N 0.60 -0.30 1.21 3.75 0.00 -0.20 -1.95 103.07 106.18 1c2n h GLY 61 Ca 0.21 0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.85 1c2n h GLY 61 CO -0.10 -0.18 0.36 0.00 0.00 0.00 0.00 176.54 176.61 1c2n h ALA 62 N 0.54 1.95 0.00 3.60 0.00 -0.16 0.17 119.26 125.36 1c2n h ALA 62 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1c2n h ALA 62 Cb 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1c2n h ALA 62 CO -0.18 -0.05 0.00 0.43 0.00 0.00 0.00 179.25 179.45 1c2n n SER 63 N -4.47 0.67 0.00 0.00 7.64 0.64 -4.84 113.62 113.26 1c2n n SER 63 Ca 0.08 0.70 0.00 0.00 1.01 0.00 0.00 58.87 60.66 1c2n n SER 63 Cb 0.29 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1c2n n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c2n n GLY 64 N -0.33 1.38 3.65 0.23 0.00 0.60 -5.08 105.19 105.64 1c2n n GLY 64 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1c2n n GLY 64 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1c2n s PHE 65 N -2.00 2.52 -0.17 1.61 5.36 -0.80 -5.00 117.98 119.50 1c2n s PHE 65 Ca 0.00 0.74 -0.06 0.00 -0.96 0.00 0.00 56.93 56.66 1c2n s PHE 65 Cb 0.00 -3.74 -0.03 0.00 -0.34 0.00 0.00 43.02 38.91 1c2n s PHE 65 CO 0.00 -2.34 0.02 0.00 -1.46 0.00 0.00 175.22 171.44 1c2n s ALA 66 N 4.04 3.21 0.09 11.12 0.00 -1.26 -1.70 121.76 137.26 1c2n s ALA 66 Ca 0.61 -0.80 -0.31 0.00 0.00 0.00 0.00 51.96 51.47 1c2n s ALA 66 Cb -0.24 -1.76 -0.08 0.00 0.00 0.00 0.00 23.12 21.04 1c2n s ALA 66 CO 0.21 0.16 1.56 -1.58 0.00 0.00 0.00 175.76 176.12 1c2n s TRP 67 N 0.42 2.74 0.15 0.00 0.52 0.12 -4.89 118.94 118.01 1c2n s TRP 67 Ca -0.00 0.55 0.05 0.00 0.02 0.00 0.00 56.10 56.71 1c2n s TRP 67 Cb -0.13 -3.87 -0.04 0.00 -1.15 0.00 0.00 33.47 28.27 1c2n s TRP 67 CO 0.02 -3.36 -0.11 0.95 0.02 0.00 0.00 176.95 174.47 1c2n s THR 68 N 2.05 1.20 0.24 2.01 -4.23 -1.26 -0.06 115.64 115.59 1c2n s THR 68 Ca 0.70 -2.04 -0.14 0.00 -1.18 0.00 0.00 61.69 59.04 1c2n s THR 68 Cb -0.39 -1.82 0.30 0.00 1.34 0.00 0.00 72.50 71.93 1c2n s THR 68 CO 0.31 -0.71 1.58 -0.33 -0.54 0.00 0.00 174.62 174.92 1c2n h GLU 69 N 2.84 -0.03 -0.23 3.99 5.08 -1.95 0.90 114.58 125.18 1c2n h GLU 69 Ca -0.37 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1c2n h GLU 69 Cb 1.19 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1c2n h GLU 69 CO 0.62 -0.02 0.13 1.05 -1.00 0.00 0.00 179.01 179.79 1c2n h GLU 70 N -0.03 0.32 -0.15 2.33 4.11 -1.97 0.76 114.58 119.95 1c2n h GLU 70 Ca 0.37 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.76 1c2n h GLU 70 Cb 0.61 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1c2n h GLU 70 CO -0.88 0.29 0.08 -0.44 0.07 0.00 0.00 179.01 178.13 1c2n h ASP 71 N 0.28 0.19 0.26 3.06 5.19 -1.47 -0.29 116.42 123.64 1c2n h ASP 71 Ca 0.08 -0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1c2n h ASP 71 Cb 0.05 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1c2n h ASP 71 CO -0.01 0.22 -0.22 0.40 -3.12 0.00 0.00 179.24 176.51 1c2n h ILE 72 N 0.15 0.53 -0.96 0.35 2.04 -0.77 0.16 117.51 119.01 1c2n h ILE 72 Ca 0.05 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.09 1c2n h ILE 72 Cb 0.07 0.53 -0.09 0.00 -0.74 0.00 0.00 36.82 36.60 1c2n h ILE 72 CO -0.01 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.75 1c2n h ALA 73 N 0.19 1.81 0.35 1.87 0.00 -0.61 -0.23 119.26 122.64 1c2n h ALA 73 Ca -0.01 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1c2n h ALA 73 Cb 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1c2n h ALA 73 CO -0.02 -0.11 -0.17 1.15 0.00 0.00 0.00 179.25 180.10 1c2n h THR 74 N 0.71 0.00 -0.87 0.00 2.02 -0.58 -3.37 112.91 110.81 1c2n h THR 74 Ca 0.51 -0.63 0.23 0.00 0.77 0.00 0.00 66.41 67.29 1c2n h THR 74 Cb 0.86 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.13 1c2n h THR 74 CO -0.28 0.00 0.30 0.22 0.37 0.00 0.00 175.52 176.13 1c2n h TYR 75 N -1.10 0.47 -0.85 3.16 3.20 -0.09 0.08 116.97 121.83 1c2n h TYR 75 Ca -0.05 0.05 0.18 0.00 3.14 0.00 0.00 58.73 62.05 1c2n h TYR 75 Cb 0.36 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.50 1c2n h TYR 75 CO 0.00 -0.14 0.57 -0.39 -1.64 0.00 0.00 178.16 176.56 1c2n h VAL 76 N 0.29 0.73 -0.02 1.81 -1.51 -1.21 0.15 116.25 116.48 1c2n h VAL 76 Ca 0.55 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.87 1c2n h VAL 76 Cb 1.08 0.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 1c2n h VAL 76 CO -0.59 0.08 -0.31 2.29 -1.23 0.00 0.00 177.57 177.81 1c2n n LYS 77 N -4.50 1.56 -2.83 5.19 2.85 -0.12 -0.77 118.16 119.52 1c2n n LYS 77 Ca 0.18 -1.19 -0.17 0.00 -1.05 0.00 0.00 58.31 56.07 1c2n n LYS 77 Cb 0.63 -1.42 -0.00 0.00 -0.65 0.00 0.00 35.03 33.58 1c2n n LYS 77 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1c2n n ASP 78 N 0.32 2.25 -4.77 -5.58 8.00 0.42 -4.88 116.55 112.33 1c2n n ASP 78 Ca 0.10 -3.12 -0.41 0.00 0.71 0.00 0.00 54.79 52.07 1c2n n ASP 78 Cb 0.46 -0.55 -0.01 0.00 -0.02 0.00 0.00 41.12 41.00 1c2n n ASP 78 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1c2n s PRO 79 N -3.03 4.17 0.00 -0.24 0.04 -0.64 -1.11 135.00 134.19 1c2n s PRO 79 Ca 0.38 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.90 1c2n s PRO 79 Cb 0.39 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.91 1c2n s PRO 79 CO -0.06 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 176.90 1c2n n GLY 80 N 1.15 1.58 0.29 0.56 0.00 -1.26 -4.55 105.19 102.96 1c2n n GLY 80 Ca 0.03 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.08 1c2n n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c2n h ALA 81 N 0.00 0.71 -0.62 4.61 0.00 -1.81 0.42 119.26 122.56 1c2n h ALA 81 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1c2n h ALA 81 Cb 0.00 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1c2n h ALA 81 CO 0.00 -0.43 0.40 0.35 0.00 0.00 0.00 179.25 179.57 1c2n h PHE 82 N 0.05 0.80 0.50 0.00 3.57 -1.36 0.21 116.94 120.71 1c2n h PHE 82 Ca 0.41 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.90 1c2n h PHE 82 Cb 0.71 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1c2n h PHE 82 CO -0.51 0.52 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.77 1c2n h LEU 83 N 0.84 -0.57 -0.80 0.59 3.38 -0.58 -0.53 115.31 117.64 1c2n h LEU 83 Ca 0.23 -0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.35 1c2n h LEU 83 Cb -0.07 0.15 -0.11 0.00 0.09 0.00 0.00 40.66 40.71 1c2n h LEU 83 CO -0.05 -0.34 0.26 0.11 0.09 0.00 0.00 178.44 178.52 1c2n h LYS 84 N -0.78 0.33 0.12 1.13 1.57 -0.45 0.22 116.57 118.71 1c2n h LYS 84 Ca -0.07 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1c2n h LYS 84 Cb 0.57 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1c2n h LYS 84 CO 0.11 0.22 -0.06 1.49 -0.57 0.00 0.00 179.45 180.64 1c2n h GLU 85 N 0.34 -0.16 -0.94 3.15 4.81 -0.82 0.14 114.58 121.10 1c2n h GLU 85 Ca 0.47 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.82 1c2n h GLU 85 Cb 0.82 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.15 1c2n h GLU 85 CO -0.51 -0.11 0.57 0.87 -0.73 0.00 0.00 179.01 179.11 1c2n h LYS 86 N -0.19 0.90 -0.01 1.92 1.79 -0.79 -0.37 116.57 119.81 1c2n h LYS 86 Ca -0.02 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1c2n h LYS 86 Cb 0.13 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.58 1c2n h LYS 86 CO 0.03 0.59 -0.03 -0.11 -1.08 0.00 0.00 179.45 178.85 1c2n n LEU 87 N -4.66 1.41 -4.08 2.94 -0.00 0.75 -4.96 117.00 108.40 1c2n n LEU 87 Ca 0.17 -0.46 -0.33 0.00 -0.00 0.00 0.00 56.01 55.39 1c2n n LEU 87 Cb 0.32 -0.01 -0.03 0.00 -0.00 0.00 0.00 43.42 43.70 1c2n n LEU 87 CO 0.27 0.24 -0.29 -0.67 -0.00 0.00 0.00 177.39 176.94 1c2n n ASP 88 N 0.06 -1.23 -3.62 1.96 2.03 -0.15 -4.97 116.55 110.63 1c2n n ASP 88 Ca 0.18 -1.17 -0.21 0.00 0.52 0.00 0.00 54.79 54.12 1c2n n ASP 88 Cb 0.35 -2.27 -0.16 0.00 -0.72 0.00 0.00 41.12 38.31 1c2n n ASP 88 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1c2n s ASP 89 N -4.10 1.45 0.53 1.67 2.15 -0.12 -5.02 116.67 113.23 1c2n s ASP 89 Ca 0.16 -0.12 0.22 0.00 0.43 0.00 0.00 52.55 53.24 1c2n s ASP 89 Cb -0.08 0.01 1.38 0.00 -0.30 0.00 0.00 42.92 43.94 1c2n s ASP 89 CO 0.94 -0.29 2.08 0.50 -0.17 0.00 0.00 175.17 178.24 1c2n h LYS 90 N 8.40 0.00 -0.52 4.34 3.64 -1.93 -0.67 116.57 129.83 1c2n h LYS 90 Ca -0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1c2n h LYS 90 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1c2n h LYS 90 CO 0.21 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 179.02 1c2n n LYS 91 N -4.38 2.33 -2.26 1.90 5.02 -1.26 -4.78 118.16 114.73 1c2n n LYS 91 Ca 0.03 -1.75 -0.42 0.00 -2.02 0.00 0.00 58.31 54.15 1c2n n LYS 91 Cb 0.33 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.86 1c2n n LYS 91 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c2n n ALA 92 N 0.81 4.00 -2.29 7.82 0.00 -0.26 -4.92 120.51 125.66 1c2n n ALA 92 Ca 0.16 -3.79 -0.31 0.00 0.00 0.00 0.00 53.44 49.51 1c2n n ALA 92 Cb 0.48 -3.58 -0.04 0.00 0.00 0.00 0.00 19.45 16.30 1c2n n ALA 92 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1c2n s LYS 93 N 4.11 3.80 0.13 0.00 1.02 -1.26 -4.02 119.74 123.51 1c2n s LYS 93 Ca 0.53 0.37 0.07 0.00 0.02 0.00 0.00 55.97 56.97 1c2n s LYS 93 Cb 0.07 -2.50 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 1c2n s LYS 93 CO 0.04 0.12 -0.07 -0.08 -0.92 0.00 0.00 175.35 174.44 1c2n s THR 94 N -2.13 3.47 0.55 2.17 -1.32 -1.26 -4.65 115.64 112.48 1c2n s THR 94 Ca 0.50 -1.34 0.39 0.00 -1.21 0.00 0.00 61.69 60.03 1c2n s THR 94 Cb -0.11 -2.67 0.41 0.00 -1.51 0.00 0.00 72.50 68.62 1c2n s THR 94 CO 0.26 0.03 2.27 1.23 -2.21 0.00 0.00 174.62 176.20 1c2n h GLY 95 N 3.29 0.00 -6.99 6.08 0.00 -2.00 -3.39 103.07 100.07 1c2n h GLY 95 Ca -0.48 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.39 1c2n h GLY 95 CO 0.54 0.00 1.50 -0.13 0.00 0.00 0.00 176.54 178.45 1c2n n MET 96 N -3.27 1.26 -1.27 4.80 0.00 -1.26 -4.80 117.12 112.58 1c2n n MET 96 Ca -0.02 -2.00 -0.36 0.00 -0.00 0.00 0.00 57.70 55.32 1c2n n MET 96 Cb 0.12 -3.30 -0.05 0.00 0.00 0.00 0.00 33.22 30.00 1c2n n MET 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1c2n n ALA 97 N 11.58 7.41 -3.60 -5.12 0.00 -1.26 -4.71 120.51 124.82 1c2n n ALA 97 Ca 0.47 -3.31 -0.10 0.00 0.00 0.00 0.00 53.44 50.49 1c2n n ALA 97 Cb 0.44 -3.25 -0.06 0.00 0.00 0.00 0.00 19.45 16.58 1c2n n ALA 97 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1c2n s PHE 98 N 2.06 -0.40 0.02 0.00 2.19 -1.26 -5.19 117.98 115.41 1c2n s PHE 98 Ca 0.69 0.78 0.00 0.00 0.33 0.00 0.00 56.93 58.74 1c2n s PHE 98 Cb 0.19 0.42 -0.02 0.00 -1.31 0.00 0.00 43.02 42.31 1c2n s PHE 98 CO -0.05 -0.30 -0.04 -1.59 1.83 0.00 0.00 175.22 175.06 1c2n s LYS 99 N -0.68 0.36 -0.36 10.12 -2.85 -1.26 -4.75 119.74 120.31 1c2n s LYS 99 Ca -0.00 -0.65 -0.04 0.00 -1.00 0.00 0.00 55.97 54.28 1c2n s LYS 99 Cb -0.02 0.03 0.07 0.00 -2.06 0.00 0.00 37.83 35.85 1c2n s LYS 99 CO -0.01 -0.03 0.12 -1.17 0.10 0.00 0.00 175.35 174.36 1c2n s LEU 100 N -1.50 4.56 0.00 2.77 2.96 0.05 -4.97 118.68 122.56 1c2n s LEU 100 Ca -0.15 -1.49 -0.03 0.00 -0.22 0.00 0.00 54.13 52.24 1c2n s LEU 100 Cb -0.10 -1.82 -0.12 0.00 0.50 0.00 0.00 46.19 44.65 1c2n s LEU 100 CO -0.01 -0.40 2.67 0.00 -1.32 0.00 0.00 176.35 177.29 1c2n n ALA 101 N 4.70 4.96 -3.10 5.97 0.00 -1.26 -3.76 120.51 128.02 1c2n n ALA 101 Ca -0.09 -0.84 0.02 0.00 0.00 0.00 0.00 53.44 52.53 1c2n n ALA 101 Cb 0.43 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1c2n n ALA 101 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1c2n n LYS 102 N 2.00 0.02 0.00 0.00 2.85 -1.26 -5.04 118.16 116.72 1c2n n LYS 102 Ca 0.20 -0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 1c2n n LYS 102 Cb 0.67 0.12 0.00 0.00 -0.65 0.00 0.00 35.03 35.17 1c2n n LYS 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1c2n n GLY 103 N -0.10 1.37 0.00 2.58 0.00 -1.26 -4.86 105.19 102.92 1c2n n GLY 103 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1c2n n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c2n n GLY 104 N 0.00 0.00 0.09 -0.02 0.00 -1.26 0.05 105.19 104.05 1c2n n GLY 104 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1c2n n GLY 104 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1c2n h GLU 105 N 0.00 0.21 -0.03 1.61 4.11 -1.89 0.16 114.58 118.75 1c2n h GLU 105 Ca 0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 1c2n h GLU 105 Cb 0.00 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1c2n h GLU 105 CO 0.00 0.15 0.01 -0.44 0.07 0.00 0.00 179.01 178.80 1c2n h ASP 106 N 0.20 0.04 -0.78 3.06 3.32 -0.66 0.05 116.42 121.65 1c2n h ASP 106 Ca 0.06 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1c2n h ASP 106 Cb -0.01 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 1c2n h ASP 106 CO -0.01 0.22 0.44 0.58 -1.72 0.00 0.00 179.24 178.74 1c2n h VAL 107 N -0.14 1.23 -0.11 -1.35 2.07 -0.88 0.95 116.25 118.02 1c2n h VAL 107 Ca 0.01 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1c2n h VAL 107 Cb 0.19 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1c2n h VAL 107 CO -0.00 0.26 0.06 0.00 0.02 0.00 0.00 177.57 177.91 1c2n h ALA 108 N 1.23 0.14 -0.73 1.67 0.00 -0.48 0.12 119.26 121.20 1c2n h ALA 108 Ca 0.28 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.21 1c2n h ALA 108 Cb 0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1c2n h ALA 108 CO -0.05 -0.34 0.42 0.00 0.00 0.00 0.00 179.25 179.28 1c2n h ALA 109 N 0.99 0.98 0.10 0.00 0.00 -0.52 0.47 119.26 121.29 1c2n h ALA 109 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1c2n h ALA 109 Cb 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1c2n h ALA 109 CO -0.01 0.12 -0.05 -0.92 0.00 0.00 0.00 179.25 178.39 1c2n h TYR 110 N 0.77 -0.13 -0.80 0.00 3.20 -0.37 0.33 116.97 119.96 1c2n h TYR 110 Ca 0.32 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.29 1c2n h TYR 110 Cb 0.19 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.45 1c2n h TYR 110 CO -0.06 -0.06 0.52 -0.07 -1.64 0.00 0.00 178.16 176.85 1c2n h LEU 111 N -0.17 0.65 0.16 2.82 3.38 0.05 0.30 115.31 122.50 1c2n h LEU 111 Ca -0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1c2n h LEU 111 Cb 0.13 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1c2n h LEU 111 CO 0.02 0.39 -0.08 0.00 0.09 0.00 0.00 178.44 178.86 1c2n h ALA 112 N 1.60 -0.21 -0.90 1.53 0.00 -0.59 -3.21 119.26 117.47 1c2n h ALA 112 Ca 0.37 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.26 1c2n h ALA 112 Cb 0.47 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1c2n h ALA 112 CO -0.14 -0.46 0.58 0.77 0.00 0.00 0.00 179.25 179.99 1c2n h SER 113 N -0.53 0.67 -0.35 0.00 0.02 0.72 -0.73 113.55 113.35 1c2n h SER 113 Ca -0.02 0.04 0.10 0.00 -0.84 0.00 0.00 61.79 61.07 1c2n h SER 113 Cb 0.41 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1c2n h SER 113 CO 0.04 0.34 0.28 0.58 -1.14 0.00 0.00 176.83 176.92 1c2n h VAL 114 N 0.71 0.69 -0.32 2.27 2.07 -0.50 -3.38 116.25 117.79 1c2n h VAL 114 Ca 0.45 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.85 1c2n h VAL 114 Cb 0.72 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1c2n h VAL 114 CO -0.21 0.00 0.38 -0.69 0.02 0.00 0.00 177.57 177.07 1c2n s VAL 115 N -4.91 3.20 0.00 2.57 1.01 -0.28 -4.84 120.40 117.15 1c2n s VAL 115 Ca -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1c2n s VAL 115 Cb 0.18 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1c2n s VAL 115 CO 0.66 -0.39 0.27 0.29 0.00 0.00 0.00 175.10 175.94