#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 6.13 0.44 1.61 2.15 -1.26 -4.78 116.67 120.96 1c2n s ASP 2 Ca 0.00 -0.33 0.19 0.00 0.43 0.00 0.00 52.55 52.83 1c2n s ASP 2 Cb 0.00 -2.17 1.13 0.00 -0.30 0.00 0.00 42.92 41.58 1c2n s ASP 2 CO 0.00 -0.30 1.90 0.00 -0.17 0.00 0.00 175.17 176.60 1c2n h ALA 3 N 8.48 2.25 0.25 3.66 0.00 -1.85 0.82 119.26 132.87 1c2n h ALA 3 Ca -0.30 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1c2n h ALA 3 Cb 1.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1c2n h ALA 3 CO 0.67 -0.49 -0.12 0.00 0.00 0.00 0.00 179.25 179.31 1c2n h ALA 4 N 1.63 -0.34 -0.89 0.00 0.00 -1.93 0.14 119.26 117.87 1c2n h ALA 4 Ca 0.41 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.25 1c2n h ALA 4 Cb 1.07 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 1c2n h ALA 4 CO -0.12 -0.54 0.53 0.87 0.00 0.00 0.00 179.25 179.99 1c2n h LYS 5 N -0.64 0.83 -0.21 0.00 1.57 -1.75 -1.04 116.57 115.33 1c2n h LYS 5 Ca -0.03 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1c2n h LYS 5 Cb 0.45 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1c2n h LYS 5 CO 0.06 0.55 -0.10 0.78 -0.57 0.00 0.00 179.45 180.17 1c2n h GLY 6 N 0.86 0.08 0.62 3.86 0.00 -0.54 0.16 103.07 108.10 1c2n h GLY 6 Ca 0.44 0.12 0.04 0.00 0.00 0.00 0.00 47.33 47.93 1c2n h GLY 6 CO -0.26 -0.12 -0.02 -2.09 0.00 0.00 0.00 176.54 174.05 1c2n h GLU 7 N -0.07 0.04 -0.06 4.80 4.22 0.22 0.95 114.58 124.68 1c2n h GLU 7 Ca 0.11 -0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.57 1c2n h GLU 7 Cb 0.24 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1c2n h GLU 7 CO -0.26 0.03 -0.04 0.87 -2.18 0.00 0.00 179.01 177.44 1c2n h LYS 8 N 0.05 -0.03 -0.39 1.92 1.57 -0.58 -1.45 116.57 117.66 1c2n h LYS 8 Ca 0.11 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1c2n h LYS 8 Cb 0.15 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1c2n h LYS 8 CO -0.20 -0.02 0.26 0.93 -0.57 0.00 0.00 179.45 179.85 1c2n h GLU 9 N -0.03 0.30 -0.01 3.15 4.39 -0.39 0.02 114.58 121.99 1c2n h GLU 9 Ca 0.04 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1c2n h GLU 9 Cb 0.09 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1c2n h GLU 9 CO -0.09 0.20 0.06 0.35 -1.16 0.00 0.00 179.01 178.36 1c2n h PHE 10 N 0.31 0.00 -0.04 4.33 3.57 0.32 0.35 116.94 125.78 1c2n h PHE 10 Ca 0.17 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.68 1c2n h PHE 10 Cb 0.28 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 1c2n h PHE 10 CO -0.00 0.00 0.14 -0.97 -2.23 0.00 0.00 178.31 175.25 1c2n h ASN 11 N 0.00 0.00 0.01 0.41 -0.00 -0.95 0.20 115.58 115.24 1c2n h ASN 11 Ca 0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 56.30 56.14 1c2n h ASN 11 Cb 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.42 1c2n h ASN 11 CO -0.00 0.00 -0.91 0.11 -0.00 0.00 0.00 177.43 176.63 1c2n h LYS 12 N 0.00 0.02 -1.00 6.67 1.57 -1.11 -3.39 116.57 119.33 1c2n h LYS 12 Ca 0.02 -0.04 0.19 0.00 -1.87 0.00 0.00 60.65 58.95 1c2n h LYS 12 Cb 0.30 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.51 1c2n h LYS 12 CO -0.00 1.02 0.60 0.00 -0.57 0.00 0.00 179.45 180.50 1c2n h LYS 14 N 0.75 0.00 -0.12 0.00 5.09 -1.21 0.70 116.57 121.79 1c2n h LYS 14 Ca 0.58 0.00 0.03 0.00 0.09 0.00 0.00 60.65 61.35 1c2n h LYS 14 Cb 0.89 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.22 1c2n h LYS 14 CO -0.38 0.00 0.19 1.15 -2.09 0.00 0.00 179.45 178.31 1c2n h THR 15 N 0.00 0.31 0.00 0.07 2.02 -1.21 0.15 112.91 114.25 1c2n h THR 15 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1c2n h THR 15 Cb 0.78 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1c2n h THR 15 CO -0.00 0.00 -0.72 0.00 0.37 0.00 0.00 175.52 175.17 1c2n n HIS 17 N -2.84 -3.95 -3.67 0.00 8.25 0.08 0.08 115.22 113.17 1c2n n HIS 17 Ca 0.00 -0.57 -0.10 0.00 -0.26 0.00 0.00 57.72 56.80 1c2n n HIS 17 Cb 0.36 -0.51 -0.03 0.00 1.12 0.00 0.00 29.99 30.94 1c2n n HIS 17 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1c2n s SER 18 N -3.34 -0.37 -0.07 0.41 0.01 -1.23 -3.72 113.70 105.39 1c2n s SER 18 Ca 0.37 -0.36 -0.02 0.00 1.31 0.00 0.00 55.95 57.25 1c2n s SER 18 Cb -0.01 0.64 0.03 0.00 0.21 0.00 0.00 66.02 66.89 1c2n s SER 18 CO 0.26 -1.13 0.02 -0.63 0.41 0.00 0.00 173.24 172.17 1c2n s ILE 19 N -3.85 0.23 -0.03 1.44 -1.09 -0.00 -0.93 121.20 116.97 1c2n s ILE 19 Ca 0.07 0.19 0.01 0.00 -2.23 0.00 0.00 60.65 58.69 1c2n s ILE 19 Cb -0.03 -0.43 0.02 0.00 -1.58 0.00 0.00 42.46 40.44 1c2n s ILE 19 CO -0.03 0.22 -0.04 -0.51 -1.23 0.00 0.00 174.94 173.34 1c2n s ILE 20 N 2.03 0.48 0.69 2.92 2.07 -1.26 -0.50 121.20 127.62 1c2n s ILE 20 Ca 0.05 -0.13 -0.16 0.00 -1.41 0.00 0.00 60.65 59.00 1c2n s ILE 20 Cb -0.12 -0.49 0.02 0.00 0.13 0.00 0.00 42.46 41.99 1c2n s ILE 20 CO -0.05 0.19 1.21 0.00 -1.91 0.00 0.00 174.94 174.39 1c2n s ALA 21 N 0.67 2.26 0.43 1.50 0.00 0.12 -4.80 121.76 121.94 1c2n s ALA 21 Ca -0.08 0.93 0.14 0.00 0.00 0.00 0.00 51.96 52.94 1c2n s ALA 21 Cb -0.12 -3.47 1.01 0.00 0.00 0.00 0.00 23.12 20.54 1c2n s ALA 21 CO -0.00 -1.66 1.96 -1.00 0.00 0.00 0.00 175.76 175.06 1c2n h PRO 22 N 0.07 0.43 0.00 0.00 0.13 -1.89 0.11 132.00 130.85 1c2n h PRO 22 Ca -0.49 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1c2n h PRO 22 Cb 1.30 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1c2n h PRO 22 CO 0.51 0.28 0.00 -0.40 -0.23 0.00 0.00 178.00 178.17 1c2n n ASP 23 N -4.47 0.00 0.00 1.44 5.68 -1.26 -4.88 116.55 113.05 1c2n n ASP 23 Ca 0.11 0.40 0.00 0.00 -0.50 0.00 0.00 54.79 54.80 1c2n n ASP 23 Cb 0.40 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 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 0.23 1.54 3.61 6.12 0.00 0.38 -5.05 105.19 112.03 1c2n n GLY 24 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.28 3.00 -0.04 2.61 2.01 -1.25 -4.69 115.64 114.99 1c2n s THR 25 Ca 0.00 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 1c2n s THR 25 Cb 0.00 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.45 1c2n s THR 25 CO 0.00 -0.00 1.57 -1.61 -0.69 0.00 0.00 174.62 173.89 1c2n s GLU 26 N 5.95 4.21 -0.22 4.92 2.02 -1.26 -0.70 118.70 133.61 1c2n s GLU 26 Ca 0.98 2.11 -0.11 0.00 0.02 0.00 0.00 54.97 57.97 1c2n s GLU 26 Cb -0.35 -3.85 -0.18 0.00 0.10 0.00 0.00 34.13 29.85 1c2n s GLU 26 CO 0.37 -0.77 -0.02 -0.89 0.02 0.00 0.00 175.26 173.97 1c2n n ILE 27 N 5.25 1.58 -3.63 -1.63 2.08 -0.08 -4.82 119.36 118.11 1c2n n ILE 27 Ca 0.16 -0.38 -0.29 0.00 0.56 0.00 0.00 62.75 62.80 1c2n n ILE 27 Cb 0.43 -1.80 -0.15 0.00 -0.75 0.00 0.00 39.64 37.37 1c2n n ILE 27 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1c2n s VAL 28 N -2.48 0.33 -1.29 1.39 1.01 0.34 -4.94 120.40 114.75 1c2n s VAL 28 Ca -0.32 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.56 1c2n s VAL 28 Cb 0.09 -1.24 0.15 0.00 0.00 0.00 0.00 36.38 35.38 1c2n s VAL 28 CO 0.60 -0.68 1.84 1.17 0.00 0.00 0.00 175.10 178.03 1c2n n LYS 29 N 5.08 3.48 -1.41 2.72 0.00 -1.26 -0.82 118.16 125.95 1c2n n LYS 29 Ca -0.05 -3.47 -0.26 0.00 0.00 0.00 0.00 58.31 54.53 1c2n n LYS 29 Cb 0.42 -3.00 0.20 0.00 0.00 0.00 0.00 35.03 32.65 1c2n n LYS 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1c2n n GLY 30 N 3.25 -1.92 2.70 3.14 0.00 -1.24 -4.93 105.19 106.18 1c2n n GLY 30 Ca 0.41 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 1c2n n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c2n n ALA 31 N -4.08 5.74 -0.47 4.61 0.00 0.54 -4.85 120.51 122.01 1c2n n ALA 31 Ca -0.19 -3.88 0.00 0.00 0.00 0.00 0.00 53.44 49.37 1c2n n ALA 31 Cb 0.51 -3.47 0.00 0.00 0.00 0.00 0.00 19.45 16.49 1c2n n ALA 31 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1c2n n LYS 32 N 5.63 0.00 -0.07 0.00 2.85 -1.16 -3.88 118.16 121.53 1c2n n LYS 32 Ca 0.54 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.70 1c2n n LYS 32 Cb 0.37 -0.77 -0.15 0.00 -0.65 0.00 0.00 35.03 33.83 1c2n n LYS 32 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1c2n n THR 33 N 2.09 1.48 -3.81 0.58 -1.04 0.11 -4.93 114.28 108.76 1c2n n THR 33 Ca 0.00 -0.83 -0.22 0.00 -2.04 0.00 0.00 64.05 60.95 1c2n n THR 33 Cb 0.04 -0.70 -0.05 0.00 -1.82 0.00 0.00 70.33 67.80 1c2n n THR 33 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1c2n s GLY 34 N -5.35 2.20 1.02 3.41 0.00 0.33 -4.98 107.32 103.95 1c2n s GLY 34 Ca -0.08 -1.97 -0.15 0.00 0.00 0.00 0.00 44.72 42.52 1c2n s GLY 34 CO 0.83 -1.78 0.28 -1.05 0.00 0.00 0.00 173.10 171.37 1c2n n PRO 35 N -1.41 -0.82 -2.88 2.90 -0.02 -1.26 -4.42 135.00 127.09 1c2n n PRO 35 Ca 0.01 -0.21 -0.42 0.00 -2.02 0.00 0.00 63.50 60.87 1c2n n PRO 35 Cb 0.63 -1.81 -0.04 0.00 -0.02 0.00 0.00 33.50 32.25 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 -1.97 6.74 0.00 2.55 3.84 -1.26 -3.56 114.94 121.28 1c2n s ASN 36 Ca 0.57 0.79 0.28 0.00 0.21 0.00 0.00 52.86 54.71 1c2n s ASN 36 Cb -0.18 -2.44 1.46 0.00 -0.55 0.00 0.00 41.25 39.54 1c2n s ASN 36 CO 0.67 -0.65 1.96 0.18 -2.79 0.00 0.00 177.10 176.47 1c2n n LEU 37 N 6.30 0.56 -4.58 3.21 4.77 -0.11 -4.77 117.00 122.38 1c2n n LEU 37 Ca 0.06 -0.20 -0.41 0.00 -0.03 0.00 0.00 56.01 55.43 1c2n n LEU 37 Cb 0.48 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 1c2n n LEU 37 CO 0.51 0.10 1.87 -0.47 -1.33 0.00 0.00 177.39 178.08 1c2n s TYR 38 N -1.98 1.20 0.00 -1.77 6.14 -1.26 -1.01 117.35 118.67 1c2n s TYR 38 Ca 0.41 0.90 0.00 0.00 0.64 0.00 0.00 57.07 59.02 1c2n s TYR 38 Cb 0.20 -3.83 0.00 0.00 0.42 0.00 0.00 41.96 38.75 1c2n s TYR 38 CO 0.33 -3.41 0.00 0.41 0.64 0.00 0.00 175.55 173.52 1c2n n GLY 39 N 5.82 0.83 0.32 8.97 0.00 -1.26 -4.92 105.19 114.94 1c2n n GLY 39 Ca 0.31 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 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 1.25 -1.87 1.61 3.04 -1.38 -3.35 116.25 115.56 1c2n h VAL 40 Ca 0.00 -0.91 -0.60 0.00 -1.01 0.00 0.00 66.70 64.18 1c2n h VAL 40 Cb 0.00 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 29.86 1c2n h VAL 40 CO 0.00 0.35 1.41 0.52 -1.01 0.00 0.00 177.57 178.84 1c2n n VAL 41 N -4.25 0.39 0.00 1.51 0.31 -1.26 -0.33 118.33 114.70 1c2n n VAL 41 Ca 0.05 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1c2n n VAL 41 Cb 0.24 -2.31 0.00 0.00 -0.91 0.00 0.00 33.84 30.87 1c2n n VAL 41 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c2n n GLY 42 N 5.64 3.44 3.76 2.92 0.00 0.64 -5.00 105.19 116.59 1c2n n GLY 42 Ca 0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.88 4.54 0.02 1.61 6.06 0.55 -4.47 118.95 126.37 1c2n s ARG 43 Ca 0.00 1.86 -0.30 0.00 -2.50 0.00 0.00 55.73 54.79 1c2n s ARG 43 Cb 0.00 -3.11 -0.08 0.00 0.06 0.00 0.00 34.95 31.83 1c2n s ARG 43 CO 0.00 0.10 1.74 0.99 -2.50 0.00 0.00 175.30 175.63 1c2n s THR 44 N -1.20 3.21 0.61 4.11 2.01 -1.26 -0.94 115.64 122.18 1c2n s THR 44 Ca 0.47 0.43 -0.18 0.00 0.31 0.00 0.00 61.69 62.72 1c2n s THR 44 Cb -0.33 -3.28 -0.06 0.00 0.01 0.00 0.00 72.50 68.85 1c2n s THR 44 CO 0.42 -0.02 0.67 0.00 -0.69 0.00 0.00 174.62 174.99 1c2n n ALA 45 N 6.65 -0.80 -1.13 7.40 0.00 0.10 -2.38 120.51 130.35 1c2n n ALA 45 Ca 0.17 -0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.51 1c2n n ALA 45 Cb 0.41 -1.92 -0.02 0.00 0.00 0.00 0.00 19.45 17.92 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 1.60 0.58 2.17 0.00 0.00 -1.26 -4.03 105.19 104.24 1c2n n GLY 46 Ca 0.12 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.42 0.59 -2.76 2.61 -2.24 -1.00 -4.67 114.28 104.39 1c2n n THR 47 Ca -0.04 -1.83 -0.41 0.00 -2.27 0.00 0.00 64.05 59.50 1c2n n THR 47 Cb 0.37 1.11 -0.05 0.00 -2.10 0.00 0.00 70.33 69.67 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 -1.75 3.82 0.81 4.78 5.04 -1.26 -4.85 117.35 123.93 1c2n s TYR 48 Ca 0.27 1.77 -0.14 0.00 -2.44 0.00 0.00 57.07 56.54 1c2n s TYR 48 Cb 0.34 -3.02 0.06 0.00 0.35 0.00 0.00 41.96 39.69 1c2n s TYR 48 CO -0.10 0.24 1.00 -0.35 -1.34 0.00 0.00 175.55 175.00 1c2n n PRO 49 N 2.68 0.15 -3.34 4.97 -0.04 -1.26 -4.17 135.00 134.00 1c2n n PRO 49 Ca 0.01 0.12 -0.15 0.00 -0.04 0.00 0.00 63.50 63.45 1c2n n PRO 49 Cb 0.49 -2.27 0.03 0.00 -0.04 0.00 0.00 33.50 31.71 1c2n n PRO 49 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1c2n n GLU 50 N -2.68 -1.63 -3.59 0.54 1.02 -1.26 -4.87 120.64 108.17 1c2n n GLU 50 Ca 0.12 0.97 -0.02 0.00 -0.02 0.00 0.00 57.16 58.21 1c2n n GLU 50 Cb 0.51 -5.09 -0.05 0.00 -0.02 0.00 0.00 31.44 26.78 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 -3.24 -1.02 -1.26 -0.32 5.36 -1.26 -4.88 117.98 111.35 1c2n s PHE 51 Ca 0.27 1.86 -0.19 0.00 -0.96 0.00 0.00 56.93 57.92 1c2n s PHE 51 Cb -0.06 0.61 0.01 0.00 -0.34 0.00 0.00 43.02 43.24 1c2n s PHE 51 CO 0.79 -0.51 1.88 1.17 -1.46 0.00 0.00 175.22 177.09 1c2n n LYS 52 N 4.84 2.66 -0.27 10.12 4.81 -1.26 -4.97 118.16 134.09 1c2n n LYS 52 Ca -0.14 -2.87 -0.08 0.00 -0.87 0.00 0.00 58.31 54.35 1c2n n LYS 52 Cb 0.53 -3.47 0.07 0.00 0.02 0.00 0.00 35.03 32.18 1c2n n LYS 52 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1c2n n TYR 53 N 9.25 -3.19 -4.31 5.64 4.01 -1.26 -5.09 117.16 122.21 1c2n n TYR 53 Ca 0.49 -0.27 -0.23 0.00 -0.16 0.00 0.00 57.90 57.73 1c2n n TYR 53 Cb 0.44 -0.31 -0.08 0.00 -0.31 0.00 0.00 39.34 39.09 1c2n n TYR 53 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1c2n s LYS 54 N -3.67 2.22 0.33 -0.72 -0.14 -1.26 -5.02 119.74 111.48 1c2n s LYS 54 Ca 0.19 -1.48 0.07 0.00 -1.36 0.00 0.00 55.97 53.39 1c2n s LYS 54 Cb -0.02 -2.10 0.77 0.00 -1.68 0.00 0.00 37.83 34.79 1c2n s LYS 54 CO 0.15 0.33 1.82 0.22 -0.76 0.00 0.00 175.35 177.11 1c2n h ASP 55 N 1.91 0.74 0.40 2.83 3.58 -1.97 -1.43 116.42 122.47 1c2n h ASP 55 Ca -0.44 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.06 1c2n h ASP 55 Cb 1.25 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.23 1c2n h ASP 55 CO 0.61 0.32 -0.19 0.28 -2.88 0.00 0.00 179.24 177.37 1c2n h SER 56 N 0.75 -0.46 -0.15 2.28 0.02 -1.85 0.99 113.55 115.13 1c2n h SER 56 Ca 0.52 -0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 61.27 1c2n h SER 56 Cb 0.83 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 1c2n h SER 56 CO -0.29 -0.11 -0.19 -0.29 -1.14 0.00 0.00 176.83 174.81 1c2n h ILE 57 N -0.84 1.25 -0.07 3.27 2.10 -1.70 0.41 117.51 121.94 1c2n h ILE 57 Ca -0.06 -1.18 -0.00 0.00 1.08 0.00 0.00 64.86 64.70 1c2n h ILE 57 Cb 0.54 1.22 -0.00 0.00 -1.09 0.00 0.00 36.82 37.49 1c2n h ILE 57 CO 0.09 0.39 0.03 0.58 -1.08 0.00 0.00 178.15 178.16 1c2n h VAL 58 N 0.51 1.12 -0.29 2.19 2.07 -1.17 0.11 116.25 120.78 1c2n h VAL 58 Ca 0.08 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1c2n h VAL 58 Cb 0.61 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1c2n h VAL 58 CO 0.04 0.11 0.17 0.00 0.02 0.00 0.00 177.57 177.91 1c2n h ALA 59 N 0.89 0.37 -0.48 1.67 0.00 -0.48 0.14 119.26 121.37 1c2n h ALA 59 Ca 0.03 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1c2n h ALA 59 Cb 0.14 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1c2n h ALA 59 CO -0.00 -0.12 0.20 1.25 0.00 0.00 0.00 179.25 180.57 1c2n h LEU 60 N 0.37 0.24 0.13 0.00 5.85 -0.77 0.21 115.31 121.34 1c2n h LEU 60 Ca 0.10 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1c2n h LEU 60 Cb 0.02 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1c2n h LEU 60 CO -0.02 0.17 -0.32 1.23 -0.34 0.00 0.00 178.44 179.16 1c2n h GLY 61 N 0.39 -0.63 0.88 3.75 0.00 -0.29 -1.78 103.07 105.39 1c2n h GLY 61 Ca 0.22 0.38 0.15 0.00 0.00 0.00 0.00 47.33 48.09 1c2n h GLY 61 CO -0.20 -0.25 0.41 0.00 0.00 0.00 0.00 176.54 176.50 1c2n h ALA 62 N 0.08 2.41 0.00 3.60 0.00 -0.07 0.28 119.26 125.55 1c2n h ALA 62 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1c2n h ALA 62 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1c2n h ALA 62 CO -0.18 -0.57 0.00 0.43 0.00 0.00 0.00 179.25 178.92 1c2n n SER 63 N -4.40 0.00 0.00 0.00 7.64 -0.00 -4.78 113.62 112.08 1c2n n SER 63 Ca 0.11 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 58.94 1c2n n SER 63 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 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 0.18 0.97 3.47 0.23 0.00 0.92 -5.00 105.19 105.97 1c2n n GLY 64 Ca 0.05 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 1c2n n GLY 64 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1c2n n PHE 65 N -2.56 4.56 -2.32 1.61 7.35 -0.84 -4.93 117.46 120.32 1c2n n PHE 65 Ca 0.00 -2.90 -0.43 0.00 -0.76 0.00 0.00 57.45 53.36 1c2n n PHE 65 Cb 0.17 -2.58 -0.02 0.00 0.35 0.00 0.00 39.48 37.39 1c2n n PHE 65 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1c2n s ALA 66 N 3.83 3.45 0.05 3.13 0.00 -1.26 -0.72 121.76 130.24 1c2n s ALA 66 Ca 0.52 0.35 -0.31 0.00 0.00 0.00 0.00 51.96 52.53 1c2n s ALA 66 Cb 0.05 -3.75 -0.10 0.00 0.00 0.00 0.00 23.12 19.32 1c2n s ALA 66 CO 0.05 -1.61 1.94 0.91 0.00 0.00 0.00 175.76 177.05 1c2n n TRP 67 N 7.49 2.53 -3.48 0.00 7.02 -0.11 -4.82 117.44 126.06 1c2n n TRP 67 Ca 0.16 -0.31 -0.19 0.00 -1.02 0.00 0.00 57.50 56.14 1c2n n TRP 67 Cb 0.45 -2.78 -0.00 0.00 -2.42 0.00 0.00 31.31 26.56 1c2n n TRP 67 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1c2n s THR 68 N 4.05 4.13 0.18 -0.99 -4.23 -1.26 -0.26 115.64 117.26 1c2n s THR 68 Ca 0.88 -0.99 -0.13 0.00 -1.18 0.00 0.00 61.69 60.27 1c2n s THR 68 Cb -0.46 -3.43 0.08 0.00 1.34 0.00 0.00 72.50 70.03 1c2n s THR 68 CO 0.42 -0.17 1.76 -0.33 -0.54 0.00 0.00 174.62 175.76 1c2n h GLU 69 N 0.90 0.38 0.18 3.99 5.08 -1.94 0.24 114.58 123.40 1c2n h GLU 69 Ca -0.46 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1c2n h GLU 69 Cb 1.25 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1c2n h GLU 69 CO 0.53 0.25 -0.13 0.93 -1.00 0.00 0.00 179.01 179.59 1c2n h GLU 70 N 0.39 -0.31 -0.32 2.33 5.08 -1.96 0.58 114.58 120.38 1c2n h GLU 70 Ca 0.23 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1c2n h GLU 70 Cb 0.21 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1c2n h GLU 70 CO -0.21 -0.20 0.20 -0.44 -1.00 0.00 0.00 179.01 177.35 1c2n h ASP 71 N -0.32 0.37 0.10 1.42 3.32 -1.84 0.32 116.42 119.80 1c2n h ASP 71 Ca -0.01 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.02 1c2n h ASP 71 Cb 0.28 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1c2n h ASP 71 CO -0.01 0.29 -0.19 0.40 -1.72 0.00 0.00 179.24 178.02 1c2n h ILE 72 N 0.42 0.56 -0.93 0.35 2.04 -0.79 0.18 117.51 119.34 1c2n h ILE 72 Ca 0.11 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.12 1c2n h ILE 72 Cb -0.02 0.56 -0.08 0.00 -0.74 0.00 0.00 36.82 36.55 1c2n h ILE 72 CO -0.02 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.72 1c2n h ALA 73 N 0.45 1.76 0.33 1.87 0.00 -0.58 -1.95 119.26 121.14 1c2n h ALA 73 Ca 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1c2n h ALA 73 Cb 0.39 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1c2n h ALA 73 CO -0.11 -0.02 -0.16 1.15 0.00 0.00 0.00 179.25 180.11 1c2n h THR 74 N 0.76 0.16 -0.84 0.00 2.02 -0.35 -3.37 112.91 111.29 1c2n h THR 74 Ca 0.47 -0.73 0.20 0.00 0.77 0.00 0.00 66.41 67.12 1c2n h THR 74 Cb 0.70 0.27 -0.15 0.00 -1.74 0.00 0.00 68.15 67.24 1c2n h THR 74 CO -0.23 0.04 -0.05 0.22 0.37 0.00 0.00 175.52 175.87 1c2n h TYR 75 N -1.08 -0.15 -0.89 3.16 3.20 -0.24 0.24 116.97 121.20 1c2n h TYR 75 Ca -0.05 0.07 0.21 0.00 3.14 0.00 0.00 58.73 62.10 1c2n h TYR 75 Cb 0.41 0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.82 1c2n h TYR 75 CO 0.02 -0.32 0.60 -0.39 -1.64 0.00 0.00 178.16 176.42 1c2n h VAL 76 N 0.06 0.67 0.00 1.81 -1.51 -1.53 0.12 116.25 115.87 1c2n h VAL 76 Ca 0.46 -0.12 -0.08 0.00 -1.23 0.00 0.00 66.70 65.73 1c2n h VAL 76 Cb 0.82 0.27 -0.01 0.00 -2.13 0.00 0.00 31.29 30.25 1c2n h VAL 76 CO -0.79 0.07 -0.38 0.11 -1.23 0.00 0.00 177.57 175.35 1c2n h LYS 77 N 0.36 0.00 -1.44 5.19 1.57 -0.96 0.89 116.57 122.18 1c2n h LYS 77 Ca 0.46 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.82 1c2n h LYS 77 Cb 1.22 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.20 1c2n h LYS 77 CO -0.16 0.38 -0.98 -0.25 -0.57 0.00 0.00 179.45 177.87 1c2n n ASP 78 N -3.37 -0.18 -4.74 0.86 8.00 0.36 -4.57 116.55 112.91 1c2n n ASP 78 Ca 0.01 -3.15 -0.38 0.00 0.71 0.00 0.00 54.79 51.99 1c2n n ASP 78 Cb 0.58 0.09 0.05 0.00 -0.02 0.00 0.00 41.12 41.82 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 -1.49 2.92 0.00 -0.24 0.04 -0.74 -0.77 135.00 134.71 1c2n s PRO 79 Ca 0.35 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.51 1c2n s PRO 79 Cb 0.31 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1c2n s PRO 79 CO -0.09 -1.33 0.00 0.41 0.04 0.00 0.00 177.00 176.04 1c2n n GLY 80 N 0.76 1.70 0.26 0.56 0.00 -1.26 -4.39 105.19 102.83 1c2n n GLY 80 Ca 0.13 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.17 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 0.95 -0.15 4.61 0.00 -1.86 0.11 119.26 122.92 1c2n h ALA 81 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1c2n h ALA 81 Cb 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1c2n h ALA 81 CO 0.00 -0.25 -0.30 0.35 0.00 0.00 0.00 179.25 179.05 1c2n h PHE 82 N 0.37 -0.81 -0.07 0.00 3.04 -1.16 -0.06 116.94 118.26 1c2n h PHE 82 Ca 0.39 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.37 1c2n h PHE 82 Cb 0.59 0.38 -0.00 0.00 2.56 0.00 0.00 35.95 39.48 1c2n h PHE 82 CO -0.20 -0.37 0.05 -0.07 -2.02 0.00 0.00 178.31 175.69 1c2n h LEU 83 N -0.36 0.08 -0.62 0.59 4.07 -1.26 0.14 115.31 117.96 1c2n h LEU 83 Ca 0.10 -0.02 0.11 0.00 0.08 0.00 0.00 57.88 58.16 1c2n h LEU 83 Cb 0.52 -0.02 -0.08 0.00 1.08 0.00 0.00 40.66 42.16 1c2n h LEU 83 CO -0.36 0.08 0.17 0.11 -1.08 0.00 0.00 178.44 177.36 1c2n h LYS 84 N 0.08 0.31 0.37 1.13 1.57 -0.37 0.18 116.57 119.84 1c2n h LYS 84 Ca 0.03 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1c2n h LYS 84 Cb 0.01 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1c2n h LYS 84 CO -0.01 0.20 -0.18 1.49 -0.57 0.00 0.00 179.45 180.39 1c2n h GLU 85 N 0.32 -0.48 -0.91 3.15 4.81 -0.77 -0.24 114.58 120.46 1c2n h GLU 85 Ca 0.32 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.66 1c2n h GLU 85 Cb 0.46 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.88 1c2n h GLU 85 CO -0.38 -0.32 0.56 0.87 -0.73 0.00 0.00 179.01 179.02 1c2n h LYS 86 N -0.54 0.95 -0.00 1.92 1.79 -0.79 -0.03 116.57 119.87 1c2n h LYS 86 Ca -0.05 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1c2n h LYS 86 Cb 0.38 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1c2n h LYS 86 CO 0.08 0.63 -0.09 -0.11 -1.08 0.00 0.00 179.45 178.89 1c2n n LEU 87 N -4.62 0.23 -3.89 2.94 7.94 0.61 -4.94 117.00 115.26 1c2n n LEU 87 Ca 0.14 0.20 -0.28 0.00 -1.11 0.00 0.00 56.01 54.96 1c2n n LEU 87 Cb 0.23 -0.29 -0.00 0.00 0.53 0.00 0.00 43.42 43.89 1c2n n LEU 87 CO 0.30 0.05 -0.19 -0.67 -1.11 0.00 0.00 177.39 175.76 1c2n n ASP 88 N -1.22 -1.68 -3.94 1.96 2.03 -0.03 -4.98 116.55 108.69 1c2n n ASP 88 Ca 0.12 -1.02 -0.09 0.00 0.52 0.00 0.00 54.79 54.31 1c2n n ASP 88 Cb 0.28 -3.06 -0.09 0.00 -0.72 0.00 0.00 41.12 37.53 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 -4.12 0.20 -0.15 1.67 2.15 -0.26 -5.04 116.67 111.12 1c2n s ASP 89 Ca 0.14 -0.58 -0.08 0.00 0.43 0.00 0.00 52.55 52.46 1c2n s ASP 89 Cb -0.05 0.24 -0.24 0.00 -0.30 0.00 0.00 42.92 42.56 1c2n s ASP 89 CO 0.89 -0.54 0.27 1.17 -0.17 0.00 0.00 175.17 176.79 1c2n n LYS 90 N 0.64 0.73 -0.53 4.34 4.81 -1.26 -4.34 118.16 122.54 1c2n n LYS 90 Ca -0.18 0.28 -0.02 0.00 -0.87 0.00 0.00 58.31 57.53 1c2n n LYS 90 Cb 0.59 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.95 1c2n n LYS 90 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1c2n n LYS 91 N -3.58 1.09 -3.79 1.64 5.02 -1.26 -4.78 118.16 112.50 1c2n n LYS 91 Ca -0.34 -0.17 -0.37 0.00 -2.02 0.00 0.00 58.31 55.41 1c2n n LYS 91 Cb 1.00 -1.07 -0.13 0.00 -0.02 0.00 0.00 35.03 34.82 1c2n n LYS 91 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c2n s ALA 92 N -0.20 3.00 0.29 7.82 0.00 -1.26 -4.76 121.76 126.66 1c2n s ALA 92 Ca 0.03 -1.66 0.01 0.00 0.00 0.00 0.00 51.96 50.34 1c2n s ALA 92 Cb 0.03 -2.16 -0.00 0.00 0.00 0.00 0.00 23.12 20.98 1c2n s ALA 92 CO -0.00 -1.20 0.04 0.36 0.00 0.00 0.00 175.76 174.96 1c2n n LYS 93 N 4.79 1.01 -3.56 0.00 2.85 -1.26 -4.37 118.16 117.62 1c2n n LYS 93 Ca -0.13 -2.27 -0.17 0.00 -1.05 0.00 0.00 58.31 54.69 1c2n n LYS 93 Cb 0.45 0.86 -0.06 0.00 -0.65 0.00 0.00 35.03 35.63 1c2n n LYS 93 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1c2n s THR 94 N -2.31 0.00 -0.84 0.58 -1.32 -1.26 -4.31 115.64 106.18 1c2n s THR 94 Ca 0.06 -0.01 0.16 0.00 -1.21 0.00 0.00 61.69 60.69 1c2n s THR 94 Cb 0.00 -0.99 0.15 0.00 -1.51 0.00 0.00 72.50 70.15 1c2n s THR 94 CO 0.04 -0.00 1.51 0.61 -2.21 0.00 0.00 174.62 174.57 1c2n n GLY 95 N 1.44 -1.05 3.57 6.08 0.00 -1.26 -4.64 105.19 109.34 1c2n n GLY 95 Ca -0.18 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 1c2n n GLY 95 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1c2n n MET 96 N -1.72 1.17 -1.29 1.61 0.00 -1.26 -4.81 117.12 110.82 1c2n n MET 96 Ca 0.03 -2.25 -0.33 0.00 -0.00 0.00 0.00 57.70 55.15 1c2n n MET 96 Cb 0.17 -3.78 -0.06 0.00 0.00 0.00 0.00 33.22 29.55 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 15.92 7.23 -3.59 -5.12 0.00 -1.26 -4.68 120.51 129.00 1c2n n ALA 97 Ca 0.44 -3.17 -0.02 0.00 0.00 0.00 0.00 53.44 50.68 1c2n n ALA 97 Cb 0.47 -3.06 -0.06 0.00 0.00 0.00 0.00 19.45 16.79 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 1.56 -0.88 0.27 0.00 2.19 -1.26 -5.18 117.98 114.69 1c2n s PHE 98 Ca 0.68 1.64 0.10 0.00 0.33 0.00 0.00 56.93 59.68 1c2n s PHE 98 Cb 0.22 0.52 -0.05 0.00 -1.31 0.00 0.00 43.02 42.41 1c2n s PHE 98 CO -0.05 -0.43 -0.07 0.15 1.83 0.00 0.00 175.22 176.64 1c2n s LYS 99 N 1.96 2.08 -0.27 10.12 1.02 -1.26 -4.78 119.74 128.61 1c2n s LYS 99 Ca -0.07 -1.54 -0.00 0.00 0.02 0.00 0.00 55.97 54.38 1c2n s LYS 99 Cb -0.06 -2.02 0.14 0.00 -0.52 0.00 0.00 37.83 35.37 1c2n s LYS 99 CO -0.18 0.35 0.36 -1.17 -0.92 0.00 0.00 175.35 173.80 1c2n s LEU 100 N -3.60 -0.57 0.00 3.17 2.96 0.30 -4.99 118.68 115.95 1c2n s LEU 100 Ca 0.31 -0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 53.92 1c2n s LEU 100 Cb -0.06 0.92 -0.11 0.00 0.50 0.00 0.00 46.19 47.44 1c2n s LEU 100 CO 0.18 -0.34 2.59 0.00 -1.32 0.00 0.00 176.35 177.46 1c2n n ALA 101 N 5.34 4.85 -3.65 5.97 0.00 -1.26 -3.42 120.51 128.35 1c2n n ALA 101 Ca -0.02 -0.77 0.10 0.00 0.00 0.00 0.00 53.44 52.75 1c2n n ALA 101 Cb 0.49 -1.61 0.01 0.00 0.00 0.00 0.00 19.45 18.33 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 1.97 0.19 0.00 0.00 2.85 -1.26 -5.03 118.16 116.89 1c2n n LYS 102 Ca 0.18 -0.62 0.00 0.00 -1.05 0.00 0.00 58.31 56.82 1c2n n LYS 102 Cb 0.65 0.96 0.00 0.00 -0.65 0.00 0.00 35.03 35.99 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 -0.58 1.29 0.00 2.58 0.00 -1.26 -4.84 105.19 102.39 1c2n n GLY 103 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.18 -0.02 0.00 -1.26 0.01 105.19 104.10 1c2n n GLY 104 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.52 -0.02 1.61 4.11 -1.88 0.21 114.58 119.13 1c2n h GLU 105 Ca 0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 1c2n h GLU 105 Cb 0.00 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1c2n h GLU 105 CO 0.00 0.35 0.01 -0.44 0.07 0.00 0.00 179.01 178.99 1c2n h ASP 106 N 0.54 0.03 -0.71 3.06 3.32 -0.68 0.31 116.42 122.30 1c2n h ASP 106 Ca 0.16 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.05 1c2n h ASP 106 Cb -0.03 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1c2n h ASP 106 CO -0.05 0.20 0.46 0.58 -1.72 0.00 0.00 179.24 178.71 1c2n h VAL 107 N -0.14 1.16 -0.46 -1.35 2.07 -0.83 0.74 116.25 117.46 1c2n h VAL 107 Ca 0.01 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1c2n h VAL 107 Cb 0.18 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1c2n h VAL 107 CO -0.00 0.17 0.29 0.00 0.02 0.00 0.00 177.57 178.05 1c2n h ALA 108 N 1.27 0.58 -0.64 1.67 0.00 -0.34 0.49 119.26 122.29 1c2n h ALA 108 Ca 0.26 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1c2n h ALA 108 Cb -0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1c2n h ALA 108 CO -0.07 0.04 0.41 0.00 0.00 0.00 0.00 179.25 179.64 1c2n h ALA 109 N 1.15 0.81 0.12 0.00 0.00 -0.23 0.17 119.26 121.29 1c2n h ALA 109 Ca 0.17 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1c2n h ALA 109 Cb -0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1c2n h ALA 109 CO -0.03 0.21 -0.18 -0.92 0.00 0.00 0.00 179.25 178.32 1c2n h TYR 110 N 0.84 -0.48 -0.87 0.00 3.20 -0.29 0.76 116.97 120.13 1c2n h TYR 110 Ca 0.24 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.16 1c2n h TYR 110 Cb -0.07 0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.34 1c2n h TYR 110 CO -0.04 -0.27 0.55 -0.07 -1.64 0.00 0.00 178.16 176.70 1c2n h LEU 111 N -0.36 0.89 -1.11 2.82 3.38 -0.41 0.16 115.31 120.68 1c2n h LEU 111 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1c2n h LEU 111 Cb 0.37 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1c2n h LEU 111 CO -0.09 0.59 0.51 0.00 0.09 0.00 0.00 178.44 179.55 1c2n h ALA 112 N 1.38 1.34 -0.36 1.53 0.00 -0.27 -0.52 119.26 122.36 1c2n h ALA 112 Ca 0.36 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 1c2n h ALA 112 Cb 0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1c2n h ALA 112 CO -0.14 0.58 -0.33 0.77 0.00 0.00 0.00 179.25 180.13 1c2n h SER 113 N 1.14 0.91 -0.54 0.00 0.02 0.89 -3.26 113.55 112.71 1c2n h SER 113 Ca 0.30 -0.46 -0.07 0.00 -0.84 0.00 0.00 61.79 60.73 1c2n h SER 113 Cb -0.07 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.19 1c2n h SER 113 CO -0.06 1.18 0.10 0.58 -1.14 0.00 0.00 176.83 177.50 1c2n h VAL 114 N 0.65 1.25 -0.46 2.27 2.07 0.10 -3.39 116.25 118.73 1c2n h VAL 114 Ca 0.06 -0.94 -0.21 0.00 0.82 0.00 0.00 66.70 66.44 1c2n h VAL 114 Cb 0.91 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1c2n h VAL 114 CO 0.08 0.35 0.59 0.54 0.02 0.00 0.00 177.57 179.15 1c2n s VAL 115 N -5.18 3.33 0.00 2.57 0.11 -0.29 -4.77 120.40 116.18 1c2n s VAL 115 Ca -0.11 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 58.52 1c2n s VAL 115 Cb 0.15 -4.02 0.00 0.00 -1.53 0.00 0.00 36.38 30.98 1c2n s VAL 115 CO 0.82 -0.64 0.18 2.29 -3.33 0.00 0.00 175.10 174.43