#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c2n n ASP 2 N 0.00 2.76 -0.35 1.61 9.92 -1.26 -4.77 116.55 124.47 1c2n n ASP 2 Ca 0.00 -2.68 0.25 0.00 -0.53 0.00 0.00 54.79 51.83 1c2n n ASP 2 Cb 0.00 -1.51 0.52 0.00 -0.64 0.00 0.00 41.12 39.49 1c2n n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1c2n h ALA 3 N 9.26 2.24 0.24 2.24 0.00 -1.88 0.28 119.26 131.64 1c2n h ALA 3 Ca 0.27 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1c2n h ALA 3 Cb 0.85 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1c2n h ALA 3 CO 1.46 -0.71 -0.23 0.00 0.00 0.00 0.00 179.25 179.77 1c2n h ALA 4 N 1.65 -0.48 -0.42 0.00 0.00 -1.87 0.12 119.26 118.27 1c2n h ALA 4 Ca 0.65 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.48 1c2n h ALA 4 Cb 1.68 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.77 1c2n h ALA 4 CO -0.37 -0.80 0.22 0.87 0.00 0.00 0.00 179.25 179.18 1c2n h LYS 5 N -0.50 0.58 0.30 0.00 1.57 -0.88 -1.42 116.57 116.22 1c2n h LYS 5 Ca -0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1c2n h LYS 5 Cb 0.46 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1c2n h LYS 5 CO -0.05 0.43 -0.34 0.78 -0.57 0.00 0.00 179.45 179.71 1c2n h GLY 6 N 0.67 -0.76 1.30 3.86 0.00 -0.02 0.16 103.07 108.28 1c2n h GLY 6 Ca 0.15 0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.83 1c2n h GLY 6 CO -0.02 -0.28 0.19 1.05 0.00 0.00 0.00 176.54 177.47 1c2n h GLU 7 N -0.68 0.89 0.09 4.80 -0.00 -0.33 0.90 114.58 120.24 1c2n h GLU 7 Ca -0.01 -0.16 -0.00 0.00 -0.00 0.00 0.00 59.36 59.18 1c2n h GLU 7 Cb 0.63 -0.14 0.00 0.00 -0.00 0.00 0.00 28.75 29.24 1c2n h GLU 7 CO -0.09 0.76 -0.04 0.87 -0.00 0.00 0.00 179.01 180.52 1c2n h LYS 8 N 0.86 -0.11 -0.58 1.06 1.79 -0.93 -1.89 116.57 116.77 1c2n h LYS 8 Ca 0.20 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.75 1c2n h LYS 8 Cb 0.24 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 1c2n h LYS 8 CO -0.01 -0.03 0.39 1.49 -1.08 0.00 0.00 179.45 180.21 1c2n h GLU 9 N -0.16 0.47 -0.07 3.15 4.57 -0.35 -0.45 114.58 121.74 1c2n h GLU 9 Ca -0.01 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1c2n h GLU 9 Cb 0.13 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1c2n h GLU 9 CO 0.02 0.31 0.21 0.35 -1.18 0.00 0.00 179.01 178.72 1c2n h PHE 10 N 0.48 0.00 -0.81 0.92 3.57 0.03 0.70 116.94 121.84 1c2n h PHE 10 Ca 0.26 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.87 1c2n h PHE 10 Cb 0.39 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 1c2n h PHE 10 CO -0.00 0.00 0.53 -0.91 -2.23 0.00 0.00 178.31 175.70 1c2n h ASN 11 N 0.00 0.61 0.14 0.41 2.35 -1.08 0.13 115.58 118.14 1c2n h ASN 11 Ca 0.03 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1c2n h ASN 11 Cb 0.44 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1c2n h ASN 11 CO -0.00 0.34 -0.07 0.11 -1.65 0.00 0.00 177.43 176.17 1c2n h LYS 12 N 0.66 -0.18 -0.96 0.81 6.56 -1.06 -3.28 116.57 119.13 1c2n h LYS 12 Ca 0.38 0.01 0.19 0.00 -1.06 0.00 0.00 60.65 60.18 1c2n h LYS 12 Cb 0.58 0.04 -0.11 0.00 -0.57 0.00 0.00 32.23 32.17 1c2n h LYS 12 CO -0.15 0.24 0.55 0.00 -2.06 0.00 0.00 179.45 178.03 1c2n h LYS 14 N 0.68 0.05 -0.02 0.00 3.64 -0.83 0.12 116.57 120.21 1c2n h LYS 14 Ca 0.56 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 1c2n h LYS 14 Cb 0.91 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1c2n h LYS 14 CO -0.41 0.03 0.04 1.15 -2.27 0.00 0.00 179.45 178.00 1c2n h THR 15 N 0.05 0.24 0.00 1.00 2.02 -1.14 -0.09 112.91 114.99 1c2n h THR 15 Ca 0.56 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.74 1c2n h THR 15 Cb 2.13 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 1c2n h THR 15 CO -0.05 0.00 -0.76 0.00 0.37 0.00 0.00 175.52 175.08 1c2n s HIS 17 N -1.76 2.62 0.15 0.00 3.76 0.19 -0.14 115.29 120.11 1c2n s HIS 17 Ca 0.00 -0.55 -0.03 0.00 -0.15 0.00 0.00 55.06 54.33 1c2n s HIS 17 Cb 0.00 -2.07 -0.03 0.00 1.11 0.00 0.00 32.58 31.59 1c2n s HIS 17 CO 0.00 0.01 0.12 -1.12 -0.85 0.00 0.00 174.74 172.90 1c2n s SER 18 N -4.03 0.22 -0.03 1.40 0.01 -1.17 -3.19 113.70 106.90 1c2n s SER 18 Ca 0.44 -1.15 -0.01 0.00 1.31 0.00 0.00 55.95 56.54 1c2n s SER 18 Cb 0.00 0.34 0.03 0.00 0.21 0.00 0.00 66.02 66.60 1c2n s SER 18 CO 0.25 -0.79 0.04 -0.63 0.41 0.00 0.00 173.24 172.53 1c2n s ILE 19 N -4.05 -0.05 -0.04 1.44 1.09 0.11 -1.07 121.20 118.64 1c2n s ILE 19 Ca 0.25 0.31 0.02 0.00 -1.10 0.00 0.00 60.65 60.13 1c2n s ILE 19 Cb 0.06 -0.15 0.01 0.00 -1.06 0.00 0.00 42.46 41.33 1c2n s ILE 19 CO 0.03 0.15 -0.07 -0.51 -0.10 0.00 0.00 174.94 174.44 1c2n s ILE 20 N 1.67 0.68 0.73 2.92 1.10 -1.26 -0.71 121.20 126.33 1c2n s ILE 20 Ca -0.01 -0.24 -0.15 0.00 -0.51 0.00 0.00 60.65 59.73 1c2n s ILE 20 Cb -0.12 -0.65 0.04 0.00 0.15 0.00 0.00 42.46 41.88 1c2n s ILE 20 CO -0.03 0.24 1.21 0.00 -2.11 0.00 0.00 174.94 174.25 1c2n s ALA 21 N 0.60 2.11 0.39 1.50 0.00 0.29 -4.77 121.76 121.87 1c2n s ALA 21 Ca -0.09 0.90 0.09 0.00 0.00 0.00 0.00 51.96 52.86 1c2n s ALA 21 Cb -0.12 -3.48 0.87 0.00 0.00 0.00 0.00 23.12 20.39 1c2n s ALA 21 CO 0.01 -1.90 1.95 -1.00 0.00 0.00 0.00 175.76 174.83 1c2n h PRO 22 N -0.29 0.59 0.00 0.00 0.13 -1.96 0.11 132.00 130.58 1c2n h PRO 22 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1c2n h PRO 22 Cb 1.30 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1c2n h PRO 22 CO 0.50 0.39 0.00 -0.40 -0.23 0.00 0.00 178.00 178.26 1c2n n ASP 23 N -4.49 0.00 0.00 1.44 5.68 -1.26 -4.88 116.55 113.04 1c2n n ASP 23 Ca 0.11 0.42 0.00 0.00 -0.50 0.00 0.00 54.79 54.82 1c2n n ASP 23 Cb 0.32 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 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 0.26 1.80 3.59 6.12 0.00 0.37 -5.05 105.19 112.29 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 -2.33 3.13 0.28 2.61 2.01 -1.25 -4.65 115.64 115.44 1c2n s THR 25 Ca 0.00 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 1c2n s THR 25 Cb 0.00 -3.20 -0.12 0.00 0.01 0.00 0.00 72.50 69.19 1c2n s THR 25 CO 0.00 -0.14 1.61 -1.84 -0.69 0.00 0.00 174.62 173.56 1c2n n GLU 26 N 8.74 2.69 -0.10 4.92 0.28 -1.26 -0.55 120.64 135.35 1c2n n GLU 26 Ca 0.29 0.96 -0.22 0.00 -0.16 0.00 0.00 57.16 58.03 1c2n n GLU 26 Cb 0.47 -2.74 -0.07 0.00 1.43 0.00 0.00 31.44 30.52 1c2n n GLU 26 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1c2n n ILE 27 N 2.34 1.14 -3.73 3.84 2.08 -0.15 -4.86 119.36 120.02 1c2n n ILE 27 Ca 0.09 -0.27 -0.30 0.00 0.56 0.00 0.00 62.75 62.84 1c2n n ILE 27 Cb 0.36 -1.79 -0.14 0.00 -0.75 0.00 0.00 39.64 37.32 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 -2.39 1.07 -1.38 1.39 1.01 0.11 -4.96 120.40 115.26 1c2n s VAL 28 Ca -0.28 -1.81 -0.12 0.00 0.00 0.00 0.00 61.98 59.77 1c2n s VAL 28 Cb 0.11 -1.79 0.10 0.00 0.00 0.00 0.00 36.38 34.80 1c2n s VAL 28 CO 0.36 -0.75 2.07 1.17 0.00 0.00 0.00 175.10 177.94 1c2n n LYS 29 N 4.39 3.20 0.00 2.72 4.81 -1.26 -0.71 118.16 131.30 1c2n n LYS 29 Ca 0.02 -3.02 0.00 0.00 -0.87 0.00 0.00 58.31 54.44 1c2n n LYS 29 Cb 0.39 -3.13 0.00 0.00 0.02 0.00 0.00 35.03 32.32 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 3.53 0.89 3.92 3.14 0.00 -1.25 -5.05 105.19 110.38 1c2n n GLY 30 Ca 0.46 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 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 -3.44 2.39 -0.18 4.61 0.00 -0.05 -4.80 121.76 120.29 1c2n s ALA 31 Ca 0.00 -1.04 0.14 0.00 0.00 0.00 0.00 51.96 51.06 1c2n s ALA 31 Cb 0.00 -2.82 0.44 0.00 0.00 0.00 0.00 23.12 20.74 1c2n s ALA 31 CO 0.00 -2.19 1.20 1.63 0.00 0.00 0.00 175.76 176.40 1c2n n LYS 32 N -3.61 1.63 -0.11 0.00 4.01 -1.17 -3.07 118.16 115.84 1c2n n LYS 32 Ca 0.13 -3.20 -0.04 0.00 -0.51 0.00 0.00 58.31 54.69 1c2n n LYS 32 Cb 0.60 -1.39 0.17 0.00 -0.51 0.00 0.00 35.03 33.90 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 2.84 1.24 -1.20 -0.18 2.02 -0.86 -3.44 112.91 113.34 1c2n h THR 33 Ca 0.01 -0.94 -0.59 0.00 0.77 0.00 0.00 66.41 65.66 1c2n h THR 33 Cb 1.31 0.82 -0.09 0.00 -1.74 0.00 0.00 68.15 68.45 1c2n h THR 33 CO 0.17 0.34 -0.47 -0.83 0.37 0.00 0.00 175.52 175.10 1c2n s GLY 34 N -3.70 2.46 1.38 2.16 0.00 0.17 -5.02 107.32 104.77 1c2n s GLY 34 Ca -0.09 -1.68 -0.23 0.00 0.00 0.00 0.00 44.72 42.72 1c2n s GLY 34 CO 0.81 -1.97 0.99 2.56 0.00 0.00 0.00 173.10 175.49 1c2n s PRO 35 N -3.97 -2.58 -0.55 2.90 0.04 -1.26 -4.60 135.00 124.99 1c2n s PRO 35 Ca 0.34 -0.03 -0.20 0.00 0.04 0.00 0.00 61.00 61.14 1c2n s PRO 35 Cb 0.03 -1.43 0.07 0.00 0.04 0.00 0.00 34.50 33.20 1c2n s PRO 35 CO 0.19 -4.61 0.73 1.21 0.04 0.00 0.00 177.00 174.56 1c2n s ASN 36 N -3.51 6.23 0.00 6.66 3.84 -1.26 -3.69 114.94 123.21 1c2n s ASN 36 Ca 0.70 -0.93 0.00 0.00 0.21 0.00 0.00 52.86 52.84 1c2n s ASN 36 Cb -0.10 -2.33 0.00 0.00 -0.55 0.00 0.00 41.25 38.27 1c2n s ASN 36 CO 0.57 -1.05 0.21 0.18 -2.79 0.00 0.00 177.10 174.21 1c2n n LEU 37 N 6.59 0.45 -4.57 3.21 4.32 -0.23 -4.72 117.00 122.05 1c2n n LEU 37 Ca -0.05 -0.23 -0.28 0.00 -0.02 0.00 0.00 56.01 55.43 1c2n n LEU 37 Cb 0.45 -0.19 -0.05 0.00 -1.62 0.00 0.00 43.42 42.01 1c2n n LEU 37 CO 0.58 0.10 1.43 -0.47 -1.22 0.00 0.00 177.39 177.81 1c2n s TYR 38 N -0.85 1.90 0.00 -1.77 6.14 -1.26 -3.62 117.35 117.89 1c2n s TYR 38 Ca 0.00 0.50 0.00 0.00 0.64 0.00 0.00 57.07 58.21 1c2n s TYR 38 Cb 0.00 -4.04 0.00 0.00 0.42 0.00 0.00 41.96 38.34 1c2n s TYR 38 CO 0.00 -1.48 0.00 0.41 0.64 0.00 0.00 175.55 175.12 1c2n n GLY 39 N 6.32 0.84 0.37 8.97 0.00 -1.26 -4.92 105.19 115.51 1c2n n GLY 39 Ca 0.42 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 1c2n n GLY 39 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1c2n h VAL 40 N 0.00 1.24 -1.63 1.61 2.07 -1.84 -3.42 116.25 114.28 1c2n h VAL 40 Ca 0.00 -0.48 -0.71 0.00 0.82 0.00 0.00 66.70 66.33 1c2n h VAL 40 Cb 0.95 -0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1c2n h VAL 40 CO 0.00 0.24 0.97 0.52 0.02 0.00 0.00 177.57 179.32 1c2n n VAL 41 N -4.38 0.37 0.00 2.57 0.31 -1.26 -0.15 118.33 115.78 1c2n n VAL 41 Ca 0.10 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1c2n n VAL 41 Cb 0.04 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 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 4.34 3.32 3.76 2.92 0.00 0.60 -4.98 105.19 115.14 1c2n n GLY 42 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.76 4.39 -0.59 1.61 6.06 0.78 -4.47 118.95 125.97 1c2n s ARG 43 Ca 0.00 2.14 -0.26 0.00 -2.50 0.00 0.00 55.73 55.11 1c2n s ARG 43 Cb 0.00 -3.12 -0.24 0.00 0.06 0.00 0.00 34.95 31.65 1c2n s ARG 43 CO 0.00 -0.18 1.83 2.41 -2.50 0.00 0.00 175.30 176.86 1c2n n THR 44 N 1.41 0.90 -4.40 4.11 -1.04 -1.26 -0.54 114.28 113.46 1c2n n THR 44 Ca 0.02 -0.84 0.00 0.00 -2.04 0.00 0.00 64.05 61.19 1c2n n THR 44 Cb 0.42 -2.13 0.00 0.00 -1.82 0.00 0.00 70.33 66.80 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 10.87 0.00 -2.23 2.41 0.00 -1.20 -3.77 120.51 126.60 1c2n n ALA 45 Ca 0.47 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.53 1c2n n ALA 45 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 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 2.27 0.22 0.00 0.00 -1.25 -4.33 105.19 102.10 1c2n n GLY 46 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 6.69 0.09 -1.95 2.61 -2.24 -1.25 -4.48 114.28 113.75 1c2n n THR 47 Ca 0.48 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.74 1c2n n THR 47 Cb 0.45 0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 69.38 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 -0.12 2.69 1.11 4.78 6.14 -1.26 -4.95 117.35 125.74 1c2n s TYR 48 Ca 0.01 0.47 -0.18 0.00 0.64 0.00 0.00 57.07 58.00 1c2n s TYR 48 Cb 0.01 -3.93 0.12 0.00 0.42 0.00 0.00 41.96 38.58 1c2n s TYR 48 CO 0.00 -3.61 0.02 -2.30 0.64 0.00 0.00 175.55 170.31 1c2n n PRO 49 N 4.95 -1.82 -3.90 4.97 -0.02 -1.26 -4.16 135.00 133.76 1c2n n PRO 49 Ca 0.15 -0.52 -0.35 0.00 -2.02 0.00 0.00 63.50 60.75 1c2n n PRO 49 Cb 0.40 -1.63 0.02 0.00 -0.02 0.00 0.00 33.50 32.27 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 -1.95 -1.27 -3.57 -0.52 4.71 -1.26 -4.70 120.64 112.09 1c2n n GLU 50 Ca 0.02 0.30 -0.01 0.00 -0.01 0.00 0.00 57.16 57.46 1c2n n GLU 50 Cb 0.57 -3.66 -0.05 0.00 -1.01 0.00 0.00 31.44 27.30 1c2n n GLU 50 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 1c2n s PHE 51 N -3.64 -1.00 -0.84 -0.32 5.36 -1.26 -4.86 117.98 111.43 1c2n s PHE 51 Ca 0.36 1.79 -0.25 0.00 -0.96 0.00 0.00 56.93 57.87 1c2n s PHE 51 Cb -0.16 0.60 0.02 0.00 -0.34 0.00 0.00 43.02 43.14 1c2n s PHE 51 CO 0.91 -0.50 1.50 0.21 -1.46 0.00 0.00 175.22 175.89 1c2n s LYS 52 N 2.41 3.17 0.93 10.12 2.47 -1.26 -4.97 119.74 132.60 1c2n s LYS 52 Ca -0.06 -0.43 -0.16 0.00 -1.56 0.00 0.00 55.97 53.77 1c2n s LYS 52 Cb -0.08 -4.73 0.22 0.00 -1.46 0.00 0.00 37.83 31.78 1c2n s LYS 52 CO -0.18 -2.41 1.12 0.66 0.16 0.00 0.00 175.35 174.70 1c2n n TYR 53 N 10.27 -3.94 -3.45 4.03 4.01 -1.26 -5.10 117.16 121.71 1c2n n TYR 53 Ca 0.20 -1.00 -0.23 0.00 -0.16 0.00 0.00 57.90 56.72 1c2n n TYR 53 Cb 0.50 -0.94 0.02 0.00 -0.31 0.00 0.00 39.34 38.61 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 -5.48 2.32 0.24 -0.72 1.02 -1.26 -5.04 119.74 110.83 1c2n s LYS 54 Ca 0.66 -1.78 0.00 0.00 0.02 0.00 0.00 55.97 54.87 1c2n s LYS 54 Cb -0.03 -2.39 0.27 0.00 -0.52 0.00 0.00 37.83 35.16 1c2n s LYS 54 CO 0.47 -0.67 1.62 -0.44 -0.92 0.00 0.00 175.35 175.41 1c2n h ASP 55 N 0.52 0.53 0.29 2.83 5.19 -1.95 -2.84 116.42 121.00 1c2n h ASP 55 Ca -0.34 -0.23 -0.01 0.00 -0.62 0.00 0.00 57.03 55.82 1c2n h ASP 55 Cb 1.29 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.66 1c2n h ASP 55 CO 0.50 0.87 -0.14 0.77 -3.12 0.00 0.00 179.24 178.12 1c2n h SER 56 N 0.42 -0.33 -0.83 6.45 4.64 -1.84 0.95 113.55 123.02 1c2n h SER 56 Ca 0.04 0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.44 1c2n h SER 56 Cb 0.87 0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 62.99 1c2n h SER 56 CO 0.07 -0.21 0.54 -0.29 -0.87 0.00 0.00 176.83 176.08 1c2n h ILE 57 N -0.44 1.04 -0.14 0.95 2.10 -1.83 0.11 117.51 119.29 1c2n h ILE 57 Ca -0.04 -0.31 -0.03 0.00 1.08 0.00 0.00 64.86 65.56 1c2n h ILE 57 Cb 0.29 0.06 -0.00 0.00 -1.09 0.00 0.00 36.82 36.08 1c2n h ILE 57 CO 0.06 0.16 -0.01 0.58 -1.08 0.00 0.00 178.15 177.87 1c2n h VAL 58 N 0.90 1.27 -0.96 2.19 2.07 -1.53 -1.87 116.25 118.32 1c2n h VAL 58 Ca 0.36 -0.89 0.03 0.00 0.82 0.00 0.00 66.70 67.02 1c2n h VAL 58 Cb 0.23 1.58 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 1c2n h VAL 58 CO -0.13 0.26 0.63 0.00 0.02 0.00 0.00 177.57 178.35 1c2n h ALA 59 N 0.74 1.26 -0.22 1.67 0.00 0.08 0.68 119.26 123.47 1c2n h ALA 59 Ca 0.04 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1c2n h ALA 59 Cb 0.40 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1c2n h ALA 59 CO 0.01 0.51 -0.06 1.25 0.00 0.00 0.00 179.25 180.96 1c2n h LEU 60 N 1.22 -0.23 0.06 0.00 5.85 -0.61 0.18 115.31 121.78 1c2n h LEU 60 Ca 0.38 0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.19 1c2n h LEU 60 Cb -0.01 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1c2n h LEU 60 CO -0.12 -0.08 -0.29 1.23 -0.34 0.00 0.00 178.44 178.84 1c2n h GLY 61 N -0.01 -0.50 0.91 3.75 0.00 -0.47 -1.85 103.07 104.91 1c2n h GLY 61 Ca 0.11 0.35 0.14 0.00 0.00 0.00 0.00 47.33 47.93 1c2n h GLY 61 CO -0.23 -0.23 0.41 0.00 0.00 0.00 0.00 176.54 176.48 1c2n h ALA 62 N 0.27 2.33 0.00 3.60 0.00 -0.26 0.16 119.26 125.36 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 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1c2n h ALA 62 CO -0.21 -0.49 0.00 0.43 0.00 0.00 0.00 179.25 178.98 1c2n n SER 63 N -4.42 0.00 0.00 0.00 7.64 0.56 -4.79 113.62 112.61 1c2n n SER 63 Ca 0.11 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1c2n n SER 63 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 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 0.17 1.40 3.82 0.23 0.00 0.52 -5.07 105.19 106.26 1c2n n GLY 64 Ca 0.10 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 3.76 -0.04 1.61 2.19 -0.87 -5.04 117.98 117.60 1c2n s PHE 65 Ca 0.00 1.16 0.00 0.00 0.33 0.00 0.00 56.93 58.42 1c2n s PHE 65 Cb 0.00 -2.41 0.03 0.00 -1.31 0.00 0.00 43.02 39.32 1c2n s PHE 65 CO 0.00 0.60 -0.01 0.00 1.83 0.00 0.00 175.22 177.64 1c2n s ALA 66 N -1.13 0.42 0.60 11.12 0.00 -1.26 -3.23 121.76 128.28 1c2n s ALA 66 Ca 0.28 0.09 -0.20 0.00 0.00 0.00 0.00 51.96 52.14 1c2n s ALA 66 Cb -0.18 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 1c2n s ALA 66 CO 0.17 -0.11 1.33 -1.58 0.00 0.00 0.00 175.76 175.57 1c2n s TRP 67 N 1.12 2.16 0.16 0.00 0.23 0.29 -4.84 118.94 118.06 1c2n s TRP 67 Ca -0.08 1.43 -0.04 0.00 -2.03 0.00 0.00 56.10 55.38 1c2n s TRP 67 Cb -0.14 -3.75 -0.03 0.00 0.03 0.00 0.00 33.47 29.59 1c2n s TRP 67 CO -0.02 -2.93 0.15 0.95 0.96 0.00 0.00 176.95 176.06 1c2n s THR 68 N -1.35 0.07 0.27 2.01 -4.23 -1.26 -0.29 115.64 110.85 1c2n s THR 68 Ca 0.78 -1.75 -0.01 0.00 -1.18 0.00 0.00 61.69 59.52 1c2n s THR 68 Cb -0.39 -2.07 0.25 0.00 1.34 0.00 0.00 72.50 71.64 1c2n s THR 68 CO 0.43 -0.32 1.82 -0.33 -0.54 0.00 0.00 174.62 175.69 1c2n h GLU 69 N 2.71 0.88 0.48 3.99 5.08 -1.97 0.46 114.58 126.21 1c2n h GLU 69 Ca -0.34 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 1c2n h GLU 69 Cb 1.22 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1c2n h GLU 69 CO 0.54 0.58 -0.23 0.93 -1.00 0.00 0.00 179.01 179.83 1c2n h GLU 70 N 0.91 -0.62 -0.14 2.33 4.39 -1.97 0.66 114.58 120.12 1c2n h GLU 70 Ca 0.46 0.04 0.05 0.00 0.34 0.00 0.00 59.36 60.24 1c2n h GLU 70 Cb 0.44 0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.18 1c2n h GLU 70 CO -0.26 -0.32 -0.17 -0.44 -1.16 0.00 0.00 179.01 176.66 1c2n h ASP 71 N -0.88 -0.53 0.25 1.42 3.32 -1.84 0.68 116.42 118.83 1c2n h ASP 71 Ca -0.07 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1c2n h ASP 71 Cb 0.58 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 1c2n h ASP 71 CO 0.11 -0.22 -0.26 0.40 -1.72 0.00 0.00 179.24 177.55 1c2n h ILE 72 N -0.21 0.45 -0.99 0.35 2.04 -0.90 0.11 117.51 118.36 1c2n h ILE 72 Ca 0.10 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.16 1c2n h ILE 72 Cb 0.36 0.45 -0.11 0.00 -0.74 0.00 0.00 36.82 36.77 1c2n h ILE 72 CO -0.27 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.47 1c2n h ALA 73 N 0.11 1.65 0.43 1.87 0.00 -0.49 -0.27 119.26 122.56 1c2n h ALA 73 Ca -0.00 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1c2n h ALA 73 Cb 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1c2n h ALA 73 CO -0.06 -0.10 -0.21 1.15 0.00 0.00 0.00 179.25 180.03 1c2n h THR 74 N 0.71 0.00 -0.79 0.00 2.02 -0.42 -3.36 112.91 111.06 1c2n h THR 74 Ca 0.58 -0.49 0.15 0.00 0.77 0.00 0.00 66.41 67.42 1c2n h THR 74 Cb 0.94 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.21 1c2n h THR 74 CO -0.40 0.00 -0.28 0.22 0.37 0.00 0.00 175.52 175.43 1c2n h TYR 75 N -1.06 -0.70 -0.99 3.16 3.20 -0.16 -1.12 116.97 119.31 1c2n h TYR 75 Ca -0.06 0.08 0.20 0.00 3.14 0.00 0.00 58.73 62.09 1c2n h TYR 75 Cb 0.44 0.43 -0.10 0.00 1.54 0.00 0.00 36.73 39.04 1c2n h TYR 75 CO 0.01 -0.37 0.62 -0.39 -1.64 0.00 0.00 178.16 176.38 1c2n h VAL 76 N -0.05 0.69 -0.00 1.81 -1.51 -1.22 0.39 116.25 116.37 1c2n h VAL 76 Ca 0.34 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.59 1c2n h VAL 76 Cb 0.59 -0.03 0.00 0.00 -2.13 0.00 0.00 31.29 29.72 1c2n h VAL 76 CO -0.83 0.12 -0.46 2.29 -1.23 0.00 0.00 177.57 177.46 1c2n n LYS 77 N -4.69 0.26 -2.90 5.19 2.85 -0.45 -0.37 118.16 118.05 1c2n n LYS 77 Ca 0.23 -0.16 -0.13 0.00 -1.05 0.00 0.00 58.31 57.20 1c2n n LYS 77 Cb 0.62 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.52 1c2n n LYS 77 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1c2n n ASP 78 N -1.23 0.60 -4.76 -5.58 5.68 -0.02 -4.77 116.55 106.46 1c2n n ASP 78 Ca 0.07 -2.90 -0.37 0.00 -0.50 0.00 0.00 54.79 51.09 1c2n n ASP 78 Cb 0.34 -0.24 0.02 0.00 -1.14 0.00 0.00 41.12 40.10 1c2n n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 1c2n s PRO 79 N -2.28 3.38 0.00 0.11 0.04 -0.34 -0.83 135.00 135.08 1c2n s PRO 79 Ca 0.32 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1c2n s PRO 79 Cb 0.39 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1c2n s PRO 79 CO -0.03 -0.91 0.00 0.41 0.04 0.00 0.00 177.00 176.51 1c2n n GLY 80 N 0.55 1.90 0.26 0.56 0.00 -1.26 -4.43 105.19 102.76 1c2n n GLY 80 Ca 0.10 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 0.89 -0.51 4.61 0.00 -1.83 0.22 119.26 122.65 1c2n h ALA 81 Ca 0.00 0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.15 1c2n h ALA 81 Cb 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 17.85 1c2n h ALA 81 CO 0.00 -0.28 -0.21 0.35 0.00 0.00 0.00 179.25 179.11 1c2n h PHE 82 N 0.32 -0.51 0.62 0.00 3.57 -1.20 0.56 116.94 120.31 1c2n h PHE 82 Ca 0.38 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.90 1c2n h PHE 82 Cb 0.59 0.30 0.01 0.00 2.79 0.00 0.00 35.95 39.63 1c2n h PHE 82 CO -0.23 -0.29 -0.30 -0.07 -2.23 0.00 0.00 178.31 175.20 1c2n h LEU 83 N -0.09 -0.70 -1.11 0.59 4.07 -0.93 -3.28 115.31 113.86 1c2n h LEU 83 Ca 0.24 -0.01 0.23 0.00 0.08 0.00 0.00 57.88 58.42 1c2n h LEU 83 Cb 0.46 0.18 -0.11 0.00 1.08 0.00 0.00 40.66 42.27 1c2n h LEU 83 CO -0.57 -0.32 0.62 0.11 -1.08 0.00 0.00 178.44 177.20 1c2n h LYS 84 N -1.15 0.56 -1.00 1.13 1.57 -0.58 0.27 116.57 117.37 1c2n h LYS 84 Ca -0.08 -0.03 0.15 0.00 -1.87 0.00 0.00 60.65 58.81 1c2n h LYS 84 Cb 0.67 -0.13 -0.09 0.00 0.08 0.00 0.00 32.23 32.76 1c2n h LYS 84 CO 0.14 0.37 0.63 1.49 -0.57 0.00 0.00 179.45 181.51 1c2n h GLU 85 N 0.58 0.88 0.00 3.15 4.81 -0.95 0.17 114.58 123.22 1c2n h GLU 85 Ca 0.61 -0.05 -0.27 0.00 -0.13 0.00 0.00 59.36 59.51 1c2n h GLU 85 Cb 1.20 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 1c2n h GLU 85 CO -0.39 0.58 -1.76 1.63 -0.73 0.00 0.00 179.01 178.34 1c2n n LYS 86 N -4.67 0.56 0.18 1.92 5.02 0.40 -4.62 118.16 116.95 1c2n n LYS 86 Ca 0.20 0.33 0.07 0.00 -2.02 0.00 0.00 58.31 56.90 1c2n n LYS 86 Cb 0.43 -1.54 0.14 0.00 -0.02 0.00 0.00 35.03 34.04 1c2n n LYS 86 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1c2n h LEU 87 N -1.00 0.00 -3.79 -0.35 5.85 -0.66 -3.48 115.31 111.88 1c2n h LEU 87 Ca -0.41 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 57.77 1c2n h LEU 87 Cb 1.31 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 1c2n h LEU 87 CO -0.25 0.28 -1.02 -0.67 -0.34 0.00 0.00 178.44 176.44 1c2n n ASP 88 N -3.19 -4.56 -4.00 1.25 2.03 0.60 -5.00 116.55 103.68 1c2n n ASP 88 Ca 0.03 -1.14 -0.14 0.00 0.52 0.00 0.00 54.79 54.05 1c2n n ASP 88 Cb 0.62 -1.87 -0.13 0.00 -0.72 0.00 0.00 41.12 39.02 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 -3.33 0.67 0.33 1.67 2.15 -1.26 -5.05 116.67 111.86 1c2n s ASP 89 Ca 0.32 -0.33 0.08 0.00 0.43 0.00 0.00 52.55 53.05 1c2n s ASP 89 Cb -0.17 -0.01 0.80 0.00 -0.30 0.00 0.00 42.92 43.24 1c2n s ASP 89 CO 0.93 -0.09 1.82 0.50 -0.17 0.00 0.00 175.17 178.17 1c2n h LYS 90 N 5.23 0.70 -0.61 4.34 3.64 -1.98 -1.12 116.57 126.76 1c2n h LYS 90 Ca -0.32 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 58.94 1c2n h LYS 90 Cb 1.20 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.81 1c2n h LYS 90 CO 0.45 0.46 0.10 1.63 -2.27 0.00 0.00 179.45 179.82 1c2n n LYS 91 N -4.65 4.30 -1.60 1.90 5.02 -1.26 -4.75 118.16 117.11 1c2n n LYS 91 Ca 0.21 -3.12 -0.41 0.00 -2.02 0.00 0.00 58.31 52.96 1c2n n LYS 91 Cb 0.55 -2.22 -0.01 0.00 -0.02 0.00 0.00 35.03 33.33 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 0.22 5.83 -2.51 7.82 0.00 -0.43 -4.67 120.51 126.78 1c2n n ALA 92 Ca 0.32 -3.75 -0.25 0.00 0.00 0.00 0.00 53.44 49.77 1c2n n ALA 92 Cb 1.25 -3.50 -0.15 0.00 0.00 0.00 0.00 19.45 17.05 1c2n n ALA 92 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1c2n s LYS 93 N 3.09 1.35 0.17 0.00 2.36 -1.26 -3.34 119.74 122.11 1c2n s LYS 93 Ca 0.52 -0.76 -0.06 0.00 -2.55 0.00 0.00 55.97 53.12 1c2n s LYS 93 Cb 0.15 -1.37 -0.06 0.00 -1.05 0.00 0.00 37.83 35.50 1c2n s LYS 93 CO -0.07 0.36 0.42 -0.08 1.55 0.00 0.00 175.35 177.53 1c2n s THR 94 N -0.61 5.11 0.57 3.43 -1.32 -1.26 -4.67 115.64 116.88 1c2n s THR 94 Ca 0.06 0.13 0.27 0.00 -1.21 0.00 0.00 61.69 60.95 1c2n s THR 94 Cb -0.08 -3.62 0.37 0.00 -1.51 0.00 0.00 72.50 67.66 1c2n s THR 94 CO 0.00 0.01 2.01 1.23 -2.21 0.00 0.00 174.62 175.67 1c2n h GLY 95 N 2.73 0.00 -7.24 6.08 0.00 -2.00 -3.40 103.07 99.25 1c2n h GLY 95 Ca -0.46 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 1c2n h GLY 95 CO 0.72 0.00 0.03 -0.13 0.00 0.00 0.00 176.54 177.16 1c2n n MET 96 N -3.96 0.39 -1.33 4.80 0.00 -1.26 -4.81 117.12 110.94 1c2n n MET 96 Ca 0.06 -1.14 -0.34 0.00 -0.00 0.00 0.00 57.70 56.28 1c2n n MET 96 Cb 0.49 -3.75 -0.05 0.00 0.00 0.00 0.00 33.22 29.91 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 19.03 7.26 -3.51 -5.12 0.00 -1.26 -4.71 120.51 132.19 1c2n n ALA 97 Ca 0.45 -3.27 -0.11 0.00 0.00 0.00 0.00 53.44 50.50 1c2n n ALA 97 Cb 0.44 -3.09 -0.03 0.00 0.00 0.00 0.00 19.45 16.77 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 1.50 -0.45 0.23 0.00 2.19 -1.26 -5.19 117.98 115.00 1c2n s PHE 98 Ca 0.67 0.50 -0.06 0.00 0.33 0.00 0.00 56.93 58.38 1c2n s PHE 98 Cb 0.21 0.50 -0.02 0.00 -1.31 0.00 0.00 43.02 42.40 1c2n s PHE 98 CO -0.06 -0.57 0.30 -1.59 1.83 0.00 0.00 175.22 175.14 1c2n s LYS 99 N -2.40 1.41 0.41 10.12 -2.85 -1.26 -4.82 119.74 120.35 1c2n s LYS 99 Ca -0.00 -1.50 0.04 0.00 -1.00 0.00 0.00 55.97 53.51 1c2n s LYS 99 Cb -0.01 0.37 0.00 0.00 -2.06 0.00 0.00 37.83 36.13 1c2n s LYS 99 CO -0.04 -0.53 0.58 -1.17 0.10 0.00 0.00 175.35 174.30 1c2n s LEU 100 N -3.12 3.73 -0.24 2.77 2.96 0.50 -4.98 118.68 120.31 1c2n s LEU 100 Ca 0.32 -0.07 0.15 0.00 -0.22 0.00 0.00 54.13 54.30 1c2n s LEU 100 Cb 0.03 -2.86 0.47 0.00 0.50 0.00 0.00 46.19 44.33 1c2n s LEU 100 CO 0.12 -0.66 1.16 0.00 -1.32 0.00 0.00 176.35 175.65 1c2n n ALA 101 N -1.89 3.79 -2.53 5.97 0.00 -1.26 -4.45 120.51 120.14 1c2n n ALA 101 Ca 0.03 -3.25 -0.12 0.00 0.00 0.00 0.00 53.44 50.10 1c2n n ALA 101 Cb 0.58 -0.55 -0.08 0.00 0.00 0.00 0.00 19.45 19.40 1c2n n ALA 101 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1c2n s LYS 102 N -3.30 1.36 0.19 0.00 1.02 -1.26 -5.04 119.74 112.72 1c2n s LYS 102 Ca 0.40 -1.54 0.14 0.00 0.02 0.00 0.00 55.97 54.99 1c2n s LYS 102 Cb 0.37 0.34 0.75 0.00 -0.52 0.00 0.00 37.83 38.77 1c2n s LYS 102 CO -0.02 -0.50 1.44 0.41 -0.92 0.00 0.00 175.35 175.77 1c2n n GLY 103 N -0.33 -0.79 4.10 -3.33 0.00 -1.26 -4.66 105.19 98.91 1c2n n GLY 103 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.17 1.97 0.38 -0.02 0.00 -1.26 -4.61 105.19 100.48 1c2n n GLY 104 Ca -0.00 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.30 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 0.24 -0.07 1.61 4.11 -1.89 0.24 114.58 118.82 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 29.19 1c2n h GLU 105 CO 0.00 0.16 0.04 0.38 0.07 0.00 0.00 179.01 179.66 1c2n h ASP 106 N 0.24 0.09 -0.49 3.06 2.03 -1.86 0.13 116.42 119.62 1c2n h ASP 106 Ca 0.75 -0.06 -0.09 0.00 -0.73 0.00 0.00 57.03 56.90 1c2n h ASP 106 Cb 1.94 -0.02 -0.02 0.00 -0.83 0.00 0.00 39.33 40.40 1c2n h ASP 106 CO -0.53 0.12 -0.03 0.58 -1.03 0.00 0.00 179.24 178.35 1c2n h VAL 107 N 0.05 1.27 -0.60 4.15 2.07 -0.92 -1.53 116.25 120.74 1c2n h VAL 107 Ca 0.03 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 66.45 1c2n h VAL 107 Cb 0.05 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1c2n h VAL 107 CO -0.00 0.39 0.36 0.00 0.02 0.00 0.00 177.57 178.34 1c2n h ALA 108 N 0.92 0.77 -0.43 1.67 0.00 -0.65 0.83 119.26 122.37 1c2n h ALA 108 Ca 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1c2n h ALA 108 Cb 0.56 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1c2n h ALA 108 CO 0.03 0.10 0.26 0.00 0.00 0.00 0.00 179.25 179.64 1c2n h ALA 109 N 1.26 0.55 0.14 0.00 0.00 -0.47 0.21 119.26 120.96 1c2n h ALA 109 Ca 0.24 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1c2n h ALA 109 Cb 0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1c2n h ALA 109 CO -0.10 0.04 -0.25 -0.92 0.00 0.00 0.00 179.25 178.02 1c2n h TYR 110 N 0.57 -0.66 -0.80 0.00 3.20 -0.61 -0.14 116.97 118.53 1c2n h TYR 110 Ca 0.15 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.11 1c2n h TYR 110 Cb -0.00 0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 1c2n h TYR 110 CO -0.03 -0.35 0.52 -0.07 -1.64 0.00 0.00 178.16 176.59 1c2n h LEU 111 N -0.47 0.75 -0.31 2.82 3.38 -0.46 0.73 115.31 121.75 1c2n h LEU 111 Ca 0.02 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1c2n h LEU 111 Cb 0.48 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1c2n h LEU 111 CO -0.12 0.48 0.16 0.00 0.09 0.00 0.00 178.44 179.04 1c2n h ALA 112 N 1.57 0.40 -0.02 1.53 0.00 -0.08 -2.23 119.26 120.43 1c2n h ALA 112 Ca 0.35 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1c2n h ALA 112 Cb 0.26 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1c2n h ALA 112 CO -0.12 -0.04 0.02 1.03 0.00 0.00 0.00 179.25 180.13 1c2n h SER 113 N 0.37 0.00 0.34 0.00 0.87 0.95 -0.11 113.55 115.97 1c2n h SER 113 Ca 0.11 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.60 1c2n h SER 113 Cb 0.11 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1c2n h SER 113 CO -0.01 0.00 -0.30 0.58 -0.53 0.00 0.00 176.83 176.56 1c2n h VAL 114 N 0.00 1.15 -0.70 2.23 2.07 -0.50 -3.41 116.25 117.09 1c2n h VAL 114 Ca 0.01 -1.06 -0.17 0.00 0.82 0.00 0.00 66.70 66.31 1c2n h VAL 114 Cb 0.05 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1c2n h VAL 114 CO -0.00 0.30 0.49 -0.69 0.02 0.00 0.00 177.57 177.69 1c2n s VAL 115 N -4.28 3.15 0.00 2.57 1.01 -0.06 -4.61 120.40 118.19 1c2n s VAL 115 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1c2n s VAL 115 Cb 0.14 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1c2n s VAL 115 CO 0.70 -0.33 0.00 0.29 0.00 0.00 0.00 175.10 175.77