#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 6.23 0.34 1.61 1.01 -1.26 -4.75 116.67 119.85 1c2n s ASP 2 Ca 0.00 -1.82 0.16 0.00 0.71 0.00 0.00 52.55 51.60 1c2n s ASP 2 Cb 0.00 -2.58 1.15 0.00 1.01 0.00 0.00 42.92 42.50 1c2n s ASP 2 CO 0.00 -1.78 1.50 0.00 0.21 0.00 0.00 175.17 175.10 1c2n n ALA 3 N 10.21 0.86 0.23 5.23 0.00 -1.26 -0.31 120.51 135.47 1c2n n ALA 3 Ca 0.43 0.98 -0.15 0.00 0.00 0.00 0.00 53.44 54.70 1c2n n ALA 3 Cb 0.48 -0.92 -0.07 0.00 0.00 0.00 0.00 19.45 18.93 1c2n n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c2n h ALA 4 N 1.91 -0.64 -0.90 0.00 0.00 -1.88 0.18 119.26 117.93 1c2n h ALA 4 Ca 0.75 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.62 1c2n h ALA 4 Cb 1.91 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 20.01 1c2n h ALA 4 CO -0.77 -0.88 0.58 0.87 0.00 0.00 0.00 179.25 179.05 1c2n h LYS 5 N -0.64 0.97 -0.12 0.00 1.57 -1.03 -0.75 116.57 116.57 1c2n h LYS 5 Ca -0.03 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1c2n h LYS 5 Cb 0.56 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 1c2n h LYS 5 CO -0.00 0.64 -0.16 0.78 -0.57 0.00 0.00 179.45 180.14 1c2n h GLY 6 N 1.00 -0.10 0.78 3.86 0.00 -0.32 0.14 103.07 108.42 1c2n h GLY 6 Ca 0.39 0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.94 1c2n h GLY 6 CO -0.15 -0.16 -0.05 -2.09 0.00 0.00 0.00 176.54 174.10 1c2n h GLU 7 N -0.20 -0.04 -0.03 4.80 4.81 0.19 0.14 114.58 124.24 1c2n h GLU 7 Ca 0.09 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1c2n h GLU 7 Cb 0.34 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 1c2n h GLU 7 CO -0.24 -0.03 -0.12 0.87 -0.73 0.00 0.00 179.01 178.76 1c2n h LYS 8 N -0.05 -0.18 -0.91 1.92 1.57 -0.81 -1.31 116.57 116.81 1c2n h LYS 8 Ca 0.05 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.94 1c2n h LYS 8 Cb 0.12 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.40 1c2n h LYS 8 CO -0.11 -0.12 0.58 1.49 -0.57 0.00 0.00 179.45 180.73 1c2n h GLU 9 N -0.18 0.88 -0.30 3.15 4.57 -0.49 0.06 114.58 122.27 1c2n h GLU 9 Ca 0.05 -0.05 0.09 0.00 -1.18 0.00 0.00 59.36 58.27 1c2n h GLU 9 Cb 0.26 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1c2n h GLU 9 CO -0.14 0.58 0.22 0.35 -1.18 0.00 0.00 179.01 178.84 1c2n h PHE 10 N 0.91 0.00 -0.55 0.92 3.04 0.45 0.17 116.94 121.88 1c2n h PHE 10 Ca 0.42 0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.45 1c2n h PHE 10 Cb 0.40 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.88 1c2n h PHE 10 CO -0.00 0.00 0.37 -0.97 -2.02 0.00 0.00 178.31 175.69 1c2n h ASN 11 N 0.00 0.37 0.02 0.41 -0.00 -0.67 0.67 115.58 116.38 1c2n h ASN 11 Ca 0.14 0.00 -0.20 0.00 -0.00 0.00 0.00 56.30 56.24 1c2n h ASN 11 Cb 0.58 -0.07 -0.02 0.00 -0.00 0.00 0.00 38.32 38.80 1c2n h ASN 11 CO -0.00 0.23 -1.10 0.11 -0.00 0.00 0.00 177.43 176.67 1c2n h LYS 12 N 0.41 0.05 -1.02 6.67 1.79 -0.87 -3.39 116.57 120.20 1c2n h LYS 12 Ca 0.25 -0.08 0.25 0.00 -2.18 0.00 0.00 60.65 58.89 1c2n h LYS 12 Cb 0.44 0.03 -0.10 0.00 -1.58 0.00 0.00 32.23 31.02 1c2n h LYS 12 CO -0.07 1.04 0.64 0.00 -1.08 0.00 0.00 179.45 179.98 1c2n n LYS 14 N -4.70 0.34 0.03 0.00 -0.00 0.18 -3.18 118.16 110.84 1c2n n LYS 14 Ca 0.25 0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.73 1c2n n LYS 14 Cb 0.81 -1.25 0.65 0.00 -0.00 0.00 0.00 35.03 35.24 1c2n n LYS 14 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1c2n h THR 15 N 0.00 0.80 0.00 0.58 2.02 -1.36 -2.30 112.91 112.66 1c2n h THR 15 Ca 0.00 -0.02 -0.17 0.00 0.77 0.00 0.00 66.41 66.99 1c2n h THR 15 Cb 0.00 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1c2n h THR 15 CO 0.00 0.01 -1.64 0.00 0.37 0.00 0.00 175.52 174.26 1c2n n HIS 17 N -2.70 -1.76 -4.02 0.00 8.25 -1.21 0.09 115.22 113.87 1c2n n HIS 17 Ca -0.19 -1.02 -0.10 0.00 -0.26 0.00 0.00 57.72 56.15 1c2n n HIS 17 Cb 0.74 -0.22 -0.05 0.00 1.12 0.00 0.00 29.99 31.57 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 -2.55 0.05 -0.03 0.41 0.01 -1.18 -2.57 113.70 107.84 1c2n s SER 18 Ca 0.20 -1.04 0.02 0.00 1.31 0.00 0.00 55.95 56.44 1c2n s SER 18 Cb -0.02 0.59 0.01 0.00 0.21 0.00 0.00 66.02 66.81 1c2n s SER 18 CO 0.13 -1.15 -0.07 -0.63 0.41 0.00 0.00 173.24 171.92 1c2n s ILE 19 N -3.87 0.68 -0.01 1.44 1.01 -0.97 -2.61 121.20 116.87 1c2n s ILE 19 Ca 0.25 -0.26 0.07 0.00 0.00 0.00 0.00 60.65 60.70 1c2n s ILE 19 Cb -0.00 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.81 1c2n s ILE 19 CO 0.11 0.23 -0.20 -0.51 0.00 0.00 0.00 174.94 174.57 1c2n s ILE 20 N 0.49 2.57 0.59 2.92 1.10 -1.26 -1.06 121.20 126.56 1c2n s ILE 20 Ca -0.07 -1.04 -0.16 0.00 -0.51 0.00 0.00 60.65 58.87 1c2n s ILE 20 Cb -0.11 -2.00 -0.04 0.00 0.15 0.00 0.00 42.46 40.47 1c2n s ILE 20 CO 0.01 0.50 1.06 0.00 -2.11 0.00 0.00 174.94 174.39 1c2n s ALA 21 N -0.75 2.74 0.34 1.50 0.00 0.49 -4.81 121.76 121.27 1c2n s ALA 21 Ca 0.12 0.39 0.11 0.00 0.00 0.00 0.00 51.96 52.58 1c2n s ALA 21 Cb -0.10 -3.23 0.91 0.00 0.00 0.00 0.00 23.12 20.70 1c2n s ALA 21 CO 0.01 -0.81 1.76 -1.35 0.00 0.00 0.00 175.76 175.37 1c2n h PRO 22 N 0.42 0.56 0.00 0.00 0.11 -1.99 0.13 132.00 131.23 1c2n h PRO 22 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1c2n h PRO 22 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1c2n h PRO 22 CO 0.57 0.37 0.00 0.38 -0.21 0.00 0.00 178.00 179.11 1c2n h ASP 23 N 0.58 0.00 0.00 -2.05 3.04 -2.06 -3.46 116.42 112.46 1c2n h ASP 23 Ca 0.61 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.40 1c2n h ASP 23 Cb 1.21 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 1c2n h ASP 23 CO -0.39 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.42 1c2n n GLY 24 N 0.08 1.58 3.69 7.15 0.00 0.46 -5.08 105.19 113.07 1c2n n GLY 24 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.11 2.59 -1.15 2.61 2.01 -1.26 -4.65 115.64 113.68 1c2n s THR 25 Ca 0.00 0.06 -0.21 0.00 0.31 0.00 0.00 61.69 61.85 1c2n s THR 25 Cb 0.00 -3.04 -0.06 0.00 0.01 0.00 0.00 72.50 69.41 1c2n s THR 25 CO 0.00 -0.00 1.91 -0.62 -0.69 0.00 0.00 174.62 175.22 1c2n n GLU 26 N 5.81 2.00 0.06 4.92 1.02 -1.26 -0.38 120.64 132.81 1c2n n GLU 26 Ca 0.18 -2.53 -0.12 0.00 -0.02 0.00 0.00 57.16 54.67 1c2n n GLU 26 Cb 0.38 -3.49 -0.05 0.00 -0.02 0.00 0.00 31.44 28.26 1c2n n GLU 26 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1c2n h ILE 27 N 5.55 0.30 -3.56 -3.67 1.08 -1.86 -3.04 117.51 112.31 1c2n h ILE 27 Ca 0.33 0.00 -0.74 0.00 -0.39 0.00 0.00 64.86 64.07 1c2n h ILE 27 Cb 0.85 0.30 -0.32 0.00 -3.07 0.00 0.00 36.82 34.58 1c2n h ILE 27 CO 1.47 0.00 -0.06 -0.69 -0.69 0.00 0.00 178.15 178.17 1c2n s VAL 28 N -6.00 4.68 -1.02 1.67 1.01 -0.22 -4.96 120.40 115.56 1c2n s VAL 28 Ca -0.16 -3.17 -0.13 0.00 0.00 0.00 0.00 61.98 58.52 1c2n s VAL 28 Cb 0.09 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.47 1c2n s VAL 28 CO 0.65 -1.02 2.15 1.17 0.00 0.00 0.00 175.10 178.06 1c2n n LYS 29 N 3.16 2.16 0.00 2.72 4.81 -1.15 -2.29 118.16 127.57 1c2n n LYS 29 Ca 0.15 -1.86 0.00 0.00 -0.87 0.00 0.00 58.31 55.74 1c2n n LYS 29 Cb 0.40 -2.79 0.00 0.00 0.02 0.00 0.00 35.03 32.66 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 4.08 0.49 3.93 3.14 0.00 -1.26 -5.08 105.19 110.49 1c2n n GLY 30 Ca 0.51 -1.78 -0.28 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 -3.24 2.71 -0.18 4.61 0.00 -0.87 -4.81 121.76 119.99 1c2n s ALA 31 Ca 0.00 -1.05 0.13 0.00 0.00 0.00 0.00 51.96 51.04 1c2n s ALA 31 Cb 0.00 -2.70 0.40 0.00 0.00 0.00 0.00 23.12 20.82 1c2n s ALA 31 CO 0.00 -1.88 1.20 1.63 0.00 0.00 0.00 175.76 176.72 1c2n n LYS 32 N -3.36 1.39 -0.13 0.00 4.76 -1.17 -3.07 118.16 116.59 1c2n n LYS 32 Ca 0.12 -3.07 -0.11 0.00 -2.87 0.00 0.00 58.31 52.38 1c2n n LYS 32 Cb 0.60 -1.45 -0.02 0.00 -1.84 0.00 0.00 35.03 32.32 1c2n n LYS 32 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1c2n h THR 33 N 1.44 1.27 -1.40 -0.18 2.02 -0.69 -3.44 112.91 111.94 1c2n h THR 33 Ca -0.02 -1.09 -0.48 0.00 0.77 0.00 0.00 66.41 65.59 1c2n h THR 33 Cb 1.08 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 1c2n h THR 33 CO 0.01 0.36 -0.33 -0.83 0.37 0.00 0.00 175.52 175.10 1c2n s GLY 34 N -3.38 2.09 0.46 2.16 0.00 0.02 -5.00 107.32 103.68 1c2n s GLY 34 Ca -0.13 -1.82 -0.07 0.00 0.00 0.00 0.00 44.72 42.71 1c2n s GLY 34 CO 0.80 -1.67 0.24 -1.05 0.00 0.00 0.00 173.10 171.42 1c2n n PRO 35 N -1.67 -1.75 -3.88 2.90 -0.02 -1.26 -4.54 135.00 124.78 1c2n n PRO 35 Ca 0.05 -0.41 -0.32 0.00 -2.02 0.00 0.00 63.50 60.80 1c2n n PRO 35 Cb 0.61 -0.63 -0.13 0.00 -0.02 0.00 0.00 33.50 33.34 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 -2.04 4.60 0.00 2.55 2.47 -1.26 -3.59 114.94 117.67 1c2n s ASN 36 Ca 0.19 -2.98 0.00 0.00 0.42 0.00 0.00 52.86 50.48 1c2n s ASN 36 Cb -0.03 -1.71 0.00 0.00 -1.45 0.00 0.00 41.25 38.06 1c2n s ASN 36 CO 0.16 -0.27 0.19 0.18 -3.72 0.00 0.00 177.10 173.64 1c2n n LEU 37 N 3.20 0.00 -4.56 3.21 7.99 -1.07 -4.74 117.00 121.03 1c2n n LEU 37 Ca 0.06 0.00 -0.38 0.00 -0.01 0.00 0.00 56.01 55.68 1c2n n LEU 37 Cb 0.34 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.62 1c2n n LEU 37 CO 0.34 0.00 1.99 0.00 -1.51 0.00 0.00 177.39 178.21 1c2n n TYR 38 N -0.69 1.55 -0.45 -1.77 4.19 -1.26 -0.69 117.16 118.03 1c2n n TYR 38 Ca 0.00 0.06 0.00 0.00 3.31 0.00 0.00 57.90 61.27 1c2n n TYR 38 Cb 0.00 -2.66 0.00 0.00 0.49 0.00 0.00 39.34 37.17 1c2n n TYR 38 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1c2n n GLY 39 N 5.96 0.87 0.31 2.98 0.00 -1.26 -4.95 105.19 109.11 1c2n n GLY 39 Ca 0.36 -0.41 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.64 1.61 3.04 -1.23 -3.34 116.25 115.95 1c2n h VAL 40 Ca 0.00 -0.88 -0.44 0.00 -1.01 0.00 0.00 66.70 64.37 1c2n h VAL 40 Cb 0.07 0.50 -0.01 0.00 -2.01 0.00 0.00 31.29 29.83 1c2n h VAL 40 CO 0.00 0.34 1.35 -0.69 -1.01 0.00 0.00 177.57 177.56 1c2n s VAL 41 N -5.42 3.19 0.00 1.51 1.01 -1.26 -0.33 120.40 119.10 1c2n s VAL 41 Ca -0.12 0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1c2n s VAL 41 Cb 0.14 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1c2n s VAL 41 CO 0.83 -0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1c2n n GLY 42 N 5.98 1.85 3.74 4.51 0.00 0.12 -4.99 105.19 116.41 1c2n n GLY 42 Ca 0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 4.47 -0.85 1.61 6.06 0.55 -4.67 118.95 126.12 1c2n s ARG 43 Ca 0.00 1.95 -0.18 0.00 -2.50 0.00 0.00 55.73 55.00 1c2n s ARG 43 Cb 0.00 -3.20 -0.12 0.00 0.06 0.00 0.00 34.95 31.69 1c2n s ARG 43 CO 0.00 -0.10 1.99 2.41 -2.50 0.00 0.00 175.30 177.11 1c2n n THR 44 N 2.14 2.08 -4.87 4.11 -1.04 -1.26 -0.79 114.28 114.66 1c2n n THR 44 Ca 0.03 -1.66 0.00 0.00 -2.04 0.00 0.00 64.05 60.39 1c2n n THR 44 Cb 0.44 -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 6.62 0.00 -1.97 2.41 0.00 -1.18 -4.19 120.51 122.20 1c2n n ALA 45 Ca 0.49 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.68 1c2n n ALA 45 Cb 0.34 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.72 1c2n n ALA 45 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1c2n s GLY 46 N -1.73 -0.10 0.00 0.00 0.00 -0.38 -4.33 107.32 100.78 1c2n s GLY 46 Ca 0.00 -1.97 0.01 0.00 0.00 0.00 0.00 44.72 42.77 1c2n s GLY 46 CO 0.00 3.71 0.78 -0.37 0.00 0.00 0.00 173.10 177.21 1c2n n THR 47 N 8.07 0.00 -2.17 0.90 5.66 -1.26 -4.46 114.28 121.01 1c2n n THR 47 Ca 0.44 -0.05 -0.39 0.00 -3.05 0.00 0.00 64.05 61.00 1c2n n THR 47 Cb 0.47 0.29 -0.01 0.00 -1.55 0.00 0.00 70.33 69.53 1c2n n THR 47 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1c2n s TYR 48 N 0.00 2.96 0.74 1.09 5.04 -1.26 -4.96 117.35 120.95 1c2n s TYR 48 Ca 0.02 1.48 -0.16 0.00 -2.44 0.00 0.00 57.07 55.98 1c2n s TYR 48 Cb 0.02 -3.54 -0.01 0.00 0.35 0.00 0.00 41.96 38.79 1c2n s TYR 48 CO -0.01 -1.69 0.78 -2.30 -1.34 0.00 0.00 175.55 170.98 1c2n n PRO 49 N 0.15 0.36 -3.65 4.97 -0.02 -1.26 -4.02 135.00 131.53 1c2n n PRO 49 Ca 0.04 0.17 -0.25 0.00 -2.02 0.00 0.00 63.50 61.44 1c2n n PRO 49 Cb 0.45 -2.06 0.02 0.00 -0.02 0.00 0.00 33.50 31.89 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 -1.49 -1.22 -3.65 -0.52 4.71 -1.26 -4.90 120.64 112.31 1c2n n GLU 50 Ca 0.11 0.71 -0.03 0.00 -0.01 0.00 0.00 57.16 57.94 1c2n n GLU 50 Cb 0.50 -3.62 -0.05 0.00 -1.01 0.00 0.00 31.44 27.26 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 -3.22 -1.23 -1.22 -0.32 5.36 -1.26 -5.00 117.98 111.09 1c2n s PHE 51 Ca 0.23 2.19 -0.20 0.00 -0.96 0.00 0.00 56.93 58.19 1c2n s PHE 51 Cb -0.09 0.71 -0.01 0.00 -0.34 0.00 0.00 43.02 43.28 1c2n s PHE 51 CO 0.87 -0.63 1.88 1.17 -1.46 0.00 0.00 175.22 177.05 1c2n n LYS 52 N 5.34 2.40 -0.88 10.12 4.81 -1.26 -4.95 118.16 133.73 1c2n n LYS 52 Ca -0.12 -2.77 -0.30 0.00 -0.87 0.00 0.00 58.31 54.24 1c2n n LYS 52 Cb 0.50 -3.51 0.26 0.00 0.02 0.00 0.00 35.03 32.29 1c2n n LYS 52 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1c2n s TYR 53 N 6.80 0.14 0.48 5.64 2.02 -1.26 -5.09 117.35 126.08 1c2n s TYR 53 Ca 0.59 0.51 0.06 0.00 -0.37 0.00 0.00 57.07 57.86 1c2n s TYR 53 Cb 0.04 -3.30 -0.00 0.00 -0.40 0.00 0.00 41.96 38.29 1c2n s TYR 53 CO 0.09 -4.22 0.28 0.15 -1.57 0.00 0.00 175.55 170.28 1c2n s LYS 54 N -5.32 2.27 0.26 -0.62 -0.14 -1.26 -5.03 119.74 109.90 1c2n s LYS 54 Ca 0.70 -1.96 -0.05 0.00 -1.36 0.00 0.00 55.97 53.30 1c2n s LYS 54 Cb -0.10 -2.02 0.30 0.00 -1.68 0.00 0.00 37.83 34.33 1c2n s LYS 54 CO 0.57 -0.38 1.93 0.22 -0.76 0.00 0.00 175.35 176.92 1c2n h ASP 55 N 1.07 1.10 0.52 2.83 3.58 -1.96 -2.43 116.42 121.14 1c2n h ASP 55 Ca -0.40 -0.04 -0.03 0.00 0.42 0.00 0.00 57.03 56.98 1c2n h ASP 55 Cb 1.28 -0.28 0.01 0.00 1.72 0.00 0.00 39.33 42.06 1c2n h ASP 55 CO 0.64 0.81 -0.25 0.77 -2.88 0.00 0.00 179.24 178.32 1c2n h SER 56 N 1.28 -0.60 0.16 2.28 4.64 -1.84 0.14 113.55 119.62 1c2n h SER 56 Ca 0.34 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1c2n h SER 56 Cb -0.12 0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1c2n h SER 56 CO -0.07 -0.32 -0.01 -0.29 -0.87 0.00 0.00 176.83 175.27 1c2n h ILE 57 N -0.92 0.13 0.05 0.95 2.10 -1.78 0.26 117.51 118.31 1c2n h ILE 57 Ca -0.07 -0.11 -0.07 0.00 1.08 0.00 0.00 64.86 65.68 1c2n h ILE 57 Cb 0.54 1.10 0.01 0.00 -1.09 0.00 0.00 36.82 37.37 1c2n h ILE 57 CO 0.12 0.01 -0.31 0.58 -1.08 0.00 0.00 178.15 177.47 1c2n h VAL 58 N 0.00 1.69 -0.92 2.19 2.07 -1.39 -1.01 116.25 118.88 1c2n h VAL 58 Ca -0.00 -2.42 0.14 0.00 0.82 0.00 0.00 66.70 65.24 1c2n h VAL 58 Cb 0.10 3.33 -0.07 0.00 -1.52 0.00 0.00 31.29 33.12 1c2n h VAL 58 CO 0.00 0.65 0.59 0.00 0.02 0.00 0.00 177.57 178.83 1c2n h ALA 59 N 0.03 1.78 -0.38 1.67 0.00 0.83 0.23 119.26 123.43 1c2n h ALA 59 Ca -0.05 0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1c2n h ALA 59 Cb 1.25 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 1c2n h ALA 59 CO 0.06 -0.03 -0.18 -0.07 0.00 0.00 0.00 179.25 179.02 1c2n h LEU 60 N 0.74 -0.62 -0.24 0.00 -0.00 -1.13 0.19 115.31 114.26 1c2n h LEU 60 Ca 0.46 0.14 -0.00 0.00 -0.00 0.00 0.00 57.88 58.48 1c2n h LEU 60 Cb 0.70 0.34 -0.01 0.00 -0.00 0.00 0.00 40.66 41.69 1c2n h LEU 60 CO -0.22 -0.21 0.13 1.23 -0.00 0.00 0.00 178.44 179.36 1c2n h GLY 61 N -0.11 0.35 0.69 0.83 0.00 -0.72 -0.91 103.07 103.20 1c2n h GLY 61 Ca 0.19 -0.16 0.08 0.00 0.00 0.00 0.00 47.33 47.44 1c2n h GLY 61 CO -0.45 0.15 0.63 0.00 0.00 0.00 0.00 176.54 176.87 1c2n h ALA 62 N 1.01 1.47 0.00 3.60 0.00 -0.30 0.13 119.26 125.18 1c2n h ALA 62 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1c2n h ALA 62 Cb 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1c2n h ALA 62 CO -0.01 0.35 0.00 -1.13 0.00 0.00 0.00 179.25 178.46 1c2n n SER 63 N -4.53 0.00 0.00 0.00 3.41 0.61 -4.86 113.62 108.25 1c2n n SER 63 Ca 0.16 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1c2n n SER 63 Cb 0.24 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1c2n n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c2n n GLY 64 N 0.28 1.01 3.77 5.00 0.00 0.45 -5.08 105.19 110.61 1c2n n GLY 64 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 3.45 -0.02 1.61 5.36 -0.38 -4.99 117.98 121.01 1c2n s PHE 65 Ca 0.00 1.68 0.02 0.00 -0.96 0.00 0.00 56.93 57.66 1c2n s PHE 65 Cb 0.00 -3.24 0.01 0.00 -0.34 0.00 0.00 43.02 39.45 1c2n s PHE 65 CO 0.00 -0.61 -0.05 0.00 -1.46 0.00 0.00 175.22 173.10 1c2n s ALA 66 N -1.34 0.58 0.14 11.12 0.00 -1.26 -3.09 121.76 127.92 1c2n s ALA 66 Ca 0.50 -0.15 -0.31 0.00 0.00 0.00 0.00 51.96 51.99 1c2n s ALA 66 Cb -0.29 -0.27 -0.10 0.00 0.00 0.00 0.00 23.12 22.47 1c2n s ALA 66 CO 0.36 0.06 1.61 -1.58 0.00 0.00 0.00 175.76 176.22 1c2n s TRP 67 N 0.36 2.85 0.37 0.00 0.23 0.03 -4.87 118.94 117.92 1c2n s TRP 67 Ca -0.04 0.51 0.08 0.00 -2.03 0.00 0.00 56.10 54.61 1c2n s TRP 67 Cb -0.08 -3.95 -0.05 0.00 0.03 0.00 0.00 33.47 29.41 1c2n s TRP 67 CO -0.00 -3.63 0.12 0.95 0.96 0.00 0.00 176.95 175.35 1c2n s THR 68 N 1.61 2.58 0.15 2.01 -4.23 -1.26 0.15 115.64 116.66 1c2n s THR 68 Ca 0.72 -1.77 -0.22 0.00 -1.18 0.00 0.00 61.69 59.24 1c2n s THR 68 Cb -0.43 -2.94 0.04 0.00 1.34 0.00 0.00 72.50 70.51 1c2n s THR 68 CO 0.32 -0.10 1.64 -0.33 -0.54 0.00 0.00 174.62 175.60 1c2n h GLU 69 N 1.56 -0.20 -0.16 3.99 3.07 -1.95 0.14 114.58 121.02 1c2n h GLU 69 Ca -0.43 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.44 1c2n h GLU 69 Cb 1.25 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.20 1c2n h GLU 69 CO 0.67 -0.13 0.10 1.05 -1.40 0.00 0.00 179.01 179.30 1c2n h GLU 70 N -0.21 0.22 -0.67 2.33 4.11 -1.96 -0.20 114.58 118.20 1c2n h GLU 70 Ca 0.15 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.51 1c2n h GLU 70 Cb 0.43 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1c2n h GLU 70 CO -0.39 0.19 0.23 -0.44 0.07 0.00 0.00 179.01 178.67 1c2n h ASP 71 N 0.19 0.95 0.16 3.06 3.32 -1.87 -0.32 116.42 121.92 1c2n h ASP 71 Ca 0.06 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.92 1c2n h ASP 71 Cb 0.02 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1c2n h ASP 71 CO -0.01 0.89 -0.18 0.40 -1.72 0.00 0.00 179.24 178.61 1c2n h ILE 72 N 0.96 0.59 -0.56 0.35 1.08 -0.43 0.16 117.51 119.67 1c2n h ILE 72 Ca 0.22 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.79 1c2n h ILE 72 Cb 0.26 0.59 -0.08 0.00 -3.07 0.00 0.00 36.82 34.53 1c2n h ILE 72 CO -0.01 0.00 0.12 0.00 -0.69 0.00 0.00 178.15 177.57 1c2n h ALA 73 N 0.40 0.64 0.47 1.87 0.00 -0.72 0.53 119.26 122.45 1c2n h ALA 73 Ca 0.01 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1c2n h ALA 73 Cb 0.37 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1c2n h ALA 73 CO -0.06 -0.30 -0.22 1.15 0.00 0.00 0.00 179.25 179.81 1c2n h THR 74 N 0.25 0.54 -0.84 0.00 2.02 -0.64 -2.79 112.91 111.45 1c2n h THR 74 Ca 0.29 -0.12 0.10 0.00 0.77 0.00 0.00 66.41 67.44 1c2n h THR 74 Cb 0.40 0.59 -0.07 0.00 -1.74 0.00 0.00 68.15 67.33 1c2n h THR 74 CO -0.37 0.02 0.49 0.22 0.37 0.00 0.00 175.52 176.25 1c2n h TYR 75 N -0.70 0.88 -0.03 3.16 3.20 -0.18 0.22 116.97 123.53 1c2n h TYR 75 Ca -0.06 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.84 1c2n h TYR 75 Cb 0.52 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 1c2n h TYR 75 CO -0.03 0.36 0.02 0.28 -1.64 0.00 0.00 178.16 177.15 1c2n h VAL 76 N 0.81 0.80 0.02 1.81 2.07 -0.80 -1.41 116.25 119.54 1c2n h VAL 76 Ca 0.41 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.62 1c2n h VAL 76 Cb 0.37 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1c2n h VAL 76 CO -0.25 0.00 -1.76 0.29 0.02 0.00 0.00 177.57 175.87 1c2n n LYS 77 N -4.25 0.65 -3.24 1.57 5.02 0.26 -0.86 118.16 117.31 1c2n n LYS 77 Ca -0.02 0.29 -0.24 0.00 -2.02 0.00 0.00 58.31 56.31 1c2n n LYS 77 Cb 0.11 -1.78 -0.07 0.00 -0.02 0.00 0.00 35.03 33.28 1c2n n LYS 77 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1c2n n ASP 78 N -3.12 1.20 -4.75 4.39 8.00 0.53 -4.65 116.55 118.15 1c2n n ASP 78 Ca -0.20 -2.92 -0.34 0.00 0.71 0.00 0.00 54.79 52.05 1c2n n ASP 78 Cb 1.05 -0.64 0.06 0.00 -0.02 0.00 0.00 41.12 41.56 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 -1.63 2.67 0.00 -0.24 0.04 -0.61 -1.18 135.00 134.05 1c2n s PRO 79 Ca 0.37 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1c2n s PRO 79 Cb 0.18 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1c2n s PRO 79 CO -0.08 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 175.98 1c2n n GLY 80 N -0.11 1.12 0.31 0.56 0.00 -1.26 -4.31 105.19 101.50 1c2n n GLY 80 Ca 0.12 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.22 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 1.32 -0.34 4.61 0.00 -1.83 0.15 119.26 123.16 1c2n h ALA 81 Ca 0.00 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1c2n h ALA 81 Cb 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1c2n h ALA 81 CO 0.00 -0.26 -0.11 0.35 0.00 0.00 0.00 179.25 179.23 1c2n h PHE 82 N 0.45 -0.24 -0.03 0.00 3.57 -1.34 0.81 116.94 120.16 1c2n h PHE 82 Ca 0.51 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 62.04 1c2n h PHE 82 Cb 0.88 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.78 1c2n h PHE 82 CO -0.14 -0.18 0.00 -0.07 -2.23 0.00 0.00 178.31 175.70 1c2n h LEU 83 N -0.03 0.05 -0.53 0.59 4.07 -1.04 -3.21 115.31 115.21 1c2n h LEU 83 Ca 0.17 -0.26 0.11 0.00 0.08 0.00 0.00 57.88 57.97 1c2n h LEU 83 Cb 0.29 -0.01 -0.09 0.00 1.08 0.00 0.00 40.66 41.93 1c2n h LEU 83 CO -0.37 0.30 0.01 0.11 -1.08 0.00 0.00 178.44 177.41 1c2n h LYS 84 N -0.20 0.12 -0.74 1.13 1.57 -0.55 0.19 116.57 118.09 1c2n h LYS 84 Ca 0.01 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.90 1c2n h LYS 84 Cb 0.27 -0.03 -0.13 0.00 0.08 0.00 0.00 32.23 32.43 1c2n h LYS 84 CO 0.00 0.08 -0.38 1.49 -0.57 0.00 0.00 179.45 180.07 1c2n h GLU 85 N 0.12 -0.11 0.00 3.15 4.81 -0.85 0.33 114.58 122.04 1c2n h GLU 85 Ca 0.27 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.42 1c2n h GLU 85 Cb 0.42 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1c2n h GLU 85 CO -0.44 -0.07 -0.52 0.87 -0.73 0.00 0.00 179.01 178.11 1c2n h LYS 86 N -0.11 0.00 0.00 1.92 1.57 -1.45 -3.39 116.57 115.11 1c2n h LYS 86 Ca 0.26 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.99 1c2n h LYS 86 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1c2n h LYS 86 CO -0.80 0.92 -0.25 1.25 -0.57 0.00 0.00 179.45 180.01 1c2n h LEU 87 N -1.00 0.00 -3.55 2.94 5.85 -0.60 -3.48 115.31 115.46 1c2n h LEU 87 Ca -0.14 0.00 -0.47 0.00 0.84 0.00 0.00 57.88 58.11 1c2n h LEU 87 Cb 1.06 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.11 1c2n h LEU 87 CO -0.08 0.25 -0.94 -0.67 -0.34 0.00 0.00 178.44 176.66 1c2n n ASP 88 N -3.24 -4.99 -3.73 1.25 2.03 0.12 -5.00 116.55 102.97 1c2n n ASP 88 Ca 0.02 -1.03 -0.12 0.00 0.52 0.00 0.00 54.79 54.17 1c2n n ASP 88 Cb 0.54 -2.45 -0.11 0.00 -0.72 0.00 0.00 41.12 38.38 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 -3.31 -0.40 0.33 1.67 -1.08 -1.26 -5.04 116.67 107.57 1c2n s ASP 89 Ca 0.31 0.76 0.08 0.00 -0.52 0.00 0.00 52.55 53.18 1c2n s ASP 89 Cb -0.14 0.74 0.79 0.00 -1.46 0.00 0.00 42.92 42.84 1c2n s ASP 89 CO 0.90 -0.14 1.81 0.50 0.52 0.00 0.00 175.17 178.76 1c2n h LYS 90 N 5.98 0.70 -0.35 4.34 3.64 -1.97 -0.44 116.57 128.47 1c2n h LYS 90 Ca -0.30 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1c2n h LYS 90 Cb 1.18 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1c2n h LYS 90 CO 0.28 0.46 0.00 0.36 -2.27 0.00 0.00 179.45 178.29 1c2n n LYS 91 N -4.67 1.29 -1.40 1.90 2.85 -1.26 -4.46 118.16 112.41 1c2n n LYS 91 Ca 0.21 -0.35 -0.39 0.00 -1.05 0.00 0.00 58.31 56.73 1c2n n LYS 91 Cb 0.56 -1.23 -0.02 0.00 -0.65 0.00 0.00 35.03 33.68 1c2n n LYS 91 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1c2n n ALA 92 N -0.14 7.30 -3.00 0.58 0.00 -0.18 -4.59 120.51 120.48 1c2n n ALA 92 Ca 0.03 -3.61 -0.11 0.00 0.00 0.00 0.00 53.44 49.75 1c2n n ALA 92 Cb 0.17 -3.36 0.03 0.00 0.00 0.00 0.00 19.45 16.29 1c2n n ALA 92 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1c2n n LYS 93 N 3.76 0.80 -3.69 0.00 5.02 -1.26 -3.71 118.16 119.08 1c2n n LYS 93 Ca 0.75 -1.46 -0.14 0.00 -2.02 0.00 0.00 58.31 55.44 1c2n n LYS 93 Cb 0.25 -0.12 -0.07 0.00 -0.02 0.00 0.00 35.03 35.07 1c2n n LYS 93 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1c2n s THR 94 N -0.71 0.05 -0.67 -0.18 -1.32 -1.26 -4.47 115.64 107.07 1c2n s THR 94 Ca 0.29 -0.40 0.21 0.00 -1.21 0.00 0.00 61.69 60.58 1c2n s THR 94 Cb -0.02 -0.80 0.21 0.00 -1.51 0.00 0.00 72.50 70.37 1c2n s THR 94 CO 0.18 -0.22 1.64 0.61 -2.21 0.00 0.00 174.62 174.63 1c2n n GLY 95 N 0.93 -1.22 3.53 6.08 0.00 -1.26 -4.59 105.19 108.67 1c2n n GLY 95 Ca -0.20 0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.99 1.58 -1.24 1.61 0.00 -1.26 -4.80 117.12 111.03 1c2n n MET 96 Ca 0.03 -2.40 -0.31 0.00 -0.00 0.00 0.00 57.70 55.02 1c2n n MET 96 Cb 0.22 -3.64 -0.07 0.00 0.00 0.00 0.00 33.22 29.73 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 13.67 7.18 -3.59 -5.12 0.00 -1.26 -4.71 120.51 126.67 1c2n n ALA 97 Ca 0.45 -3.03 -0.13 0.00 0.00 0.00 0.00 53.44 50.73 1c2n n ALA 97 Cb 0.46 -3.02 -0.06 0.00 0.00 0.00 0.00 19.45 16.83 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 1.63 -0.58 0.27 0.00 5.36 -1.26 -5.19 117.98 118.22 1c2n s PHE 98 Ca 0.68 1.23 -0.12 0.00 -0.96 0.00 0.00 56.93 57.76 1c2n s PHE 98 Cb 0.23 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 43.28 1c2n s PHE 98 CO -0.05 -0.38 0.52 -1.59 -1.46 0.00 0.00 175.22 172.27 1c2n s LYS 99 N -0.37 1.68 -0.17 10.12 -2.85 -1.26 -4.77 119.74 122.12 1c2n s LYS 99 Ca -0.02 -1.31 -0.04 0.00 -1.00 0.00 0.00 55.97 53.60 1c2n s LYS 99 Cb -0.03 0.49 0.08 0.00 -2.06 0.00 0.00 37.83 36.31 1c2n s LYS 99 CO 0.01 -0.71 0.21 -1.17 0.10 0.00 0.00 175.35 173.79 1c2n s LEU 100 N -3.04 -0.10 -0.02 2.77 2.96 -0.04 -5.01 118.68 116.20 1c2n s LEU 100 Ca 0.22 -0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.11 1c2n s LEU 100 Cb -0.01 0.37 -0.03 0.00 0.50 0.00 0.00 46.19 47.02 1c2n s LEU 100 CO 0.11 -0.30 2.23 0.00 -1.32 0.00 0.00 176.35 177.07 1c2n n ALA 101 N 5.32 4.40 0.00 5.97 0.00 -1.26 -4.08 120.51 130.86 1c2n n ALA 101 Ca -0.05 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1c2n n ALA 101 Cb 0.50 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 1.58 -2.67 0.00 0.00 2.85 -1.26 -5.03 118.16 113.62 1c2n n LYS 102 Ca 0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 1c2n n LYS 102 Cb 0.56 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.94 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 -0.01 1.13 0.14 2.58 0.00 -1.26 -4.76 105.19 103.00 1c2n n GLY 103 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.76 0.18 -0.02 0.00 -1.26 0.21 105.19 103.54 1c2n n GLY 104 Ca 0.00 0.41 -0.10 0.00 0.00 0.00 0.00 46.02 46.33 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 0.56 -0.17 1.61 9.09 -1.86 0.19 114.58 124.01 1c2n h GLU 105 Ca 0.13 -0.15 -0.02 0.00 0.05 0.00 0.00 59.36 59.38 1c2n h GLU 105 Cb 0.22 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.25 1c2n h GLU 105 CO -0.37 0.63 0.05 -0.44 0.05 0.00 0.00 179.01 178.93 1c2n h ASP 106 N 0.40 0.25 -0.68 3.06 3.32 -0.54 -0.04 116.42 122.19 1c2n h ASP 106 Ca 0.11 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1c2n h ASP 106 Cb 0.33 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1c2n h ASP 106 CO 0.00 0.41 0.44 0.58 -1.72 0.00 0.00 179.24 178.96 1c2n h VAL 107 N 0.09 1.18 -0.28 -1.35 2.07 -0.71 0.12 116.25 117.36 1c2n h VAL 107 Ca 0.05 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1c2n h VAL 107 Cb 0.25 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1c2n h VAL 107 CO -0.00 0.18 0.17 0.00 0.02 0.00 0.00 177.57 177.93 1c2n h ALA 108 N 1.24 0.36 -0.64 1.67 0.00 -0.36 0.10 119.26 121.64 1c2n h ALA 108 Ca 0.25 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1c2n h ALA 108 Cb -0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1c2n h ALA 108 CO -0.05 -0.13 0.41 0.00 0.00 0.00 0.00 179.25 179.48 1c2n h ALA 109 N 1.05 0.81 0.07 0.00 0.00 -0.52 0.84 119.26 121.51 1c2n h ALA 109 Ca 0.10 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1c2n h ALA 109 Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1c2n h ALA 109 CO -0.02 0.21 -0.15 -0.92 0.00 0.00 0.00 179.25 178.37 1c2n h TYR 110 N 0.83 -0.39 -0.38 0.00 3.20 -0.32 0.39 116.97 120.31 1c2n h TYR 110 Ca 0.24 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.17 1c2n h TYR 110 Cb -0.06 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 1c2n h TYR 110 CO -0.04 -0.23 0.08 -0.07 -1.64 0.00 0.00 178.16 176.27 1c2n h LEU 111 N -0.29 0.03 -1.00 2.82 3.38 -0.43 0.87 115.31 120.69 1c2n h LEU 111 Ca 0.03 0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.17 1c2n h LEU 111 Cb 0.31 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 1c2n h LEU 111 CO -0.10 0.05 0.63 0.00 0.09 0.00 0.00 178.44 179.12 1c2n h ALA 112 N 1.28 1.50 0.00 1.53 0.00 -0.48 0.87 119.26 123.96 1c2n h ALA 112 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1c2n h ALA 112 Cb 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1c2n h ALA 112 CO -0.23 0.25 0.00 0.43 0.00 0.00 0.00 179.25 179.70 1c2n n SER 113 N -4.61 0.67 0.04 0.00 7.64 0.10 -3.33 113.62 114.12 1c2n n SER 113 Ca 0.19 0.58 -0.20 0.00 1.01 0.00 0.00 58.87 60.45 1c2n n SER 113 Cb 0.34 -0.76 -0.14 0.00 -1.01 0.00 0.00 64.21 62.64 1c2n n SER 113 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1c2n h VAL 114 N 0.00 0.88 0.00 0.44 2.07 0.13 -3.40 116.25 116.37 1c2n h VAL 114 Ca 0.00 -2.54 -0.66 0.00 0.82 0.00 0.00 66.70 64.32 1c2n h VAL 114 Cb 0.62 2.66 -0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1c2n h VAL 114 CO 0.00 0.83 3.12 0.55 0.02 0.00 0.00 177.57 182.09 1c2n n VAL 115 N -3.48 3.28 -0.42 2.57 3.14 -0.56 -4.90 118.33 117.96 1c2n n VAL 115 Ca -0.24 -2.52 0.00 0.00 -2.96 0.00 0.00 64.34 58.62 1c2n n VAL 115 Cb 1.06 -2.52 0.00 0.00 -1.06 0.00 0.00 33.84 31.32 1c2n n VAL 115 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66