#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 5.54 0.43 1.61 -1.08 -1.26 -4.75 116.67 117.15 1c2n s ASP 2 Ca 0.00 -1.48 0.23 0.00 -0.52 0.00 0.00 52.55 50.78 1c2n s ASP 2 Cb 0.00 -2.58 1.23 0.00 -1.46 0.00 0.00 42.92 40.11 1c2n s ASP 2 CO 0.00 -2.48 1.74 0.00 0.52 0.00 0.00 175.17 174.95 1c2n h ALA 3 N 9.83 2.45 0.02 3.66 0.00 -1.89 0.47 119.26 133.80 1c2n h ALA 3 Ca 0.22 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1c2n h ALA 3 Cb 0.95 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1c2n h ALA 3 CO 1.28 -0.90 -0.01 0.00 0.00 0.00 0.00 179.25 179.63 1c2n h ALA 4 N 1.59 -0.02 -0.92 0.00 0.00 -1.89 0.11 119.26 118.12 1c2n h ALA 4 Ca 0.64 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.48 1c2n h ALA 4 Cb 1.83 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.57 1c2n h ALA 4 CO -0.28 -0.41 0.59 0.87 0.00 0.00 0.00 179.25 180.02 1c2n h LYS 5 N -0.23 1.11 -0.12 0.00 1.57 -1.36 0.11 116.57 117.64 1c2n h LYS 5 Ca -0.00 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1c2n h LYS 5 Cb 0.22 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 1c2n h LYS 5 CO 0.00 0.73 -0.13 0.78 -0.57 0.00 0.00 179.45 180.26 1c2n h GLY 6 N 1.14 -0.06 0.81 3.86 0.00 -0.66 0.11 103.07 108.28 1c2n h GLY 6 Ca 0.37 0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.88 1c2n h GLY 6 CO -0.13 -0.14 -0.07 -2.09 0.00 0.00 0.00 176.54 174.11 1c2n h GLU 7 N -0.17 -0.11 0.00 4.80 4.81 -0.22 0.84 114.58 124.53 1c2n h GLU 7 Ca 0.09 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1c2n h GLU 7 Cb 0.30 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1c2n h GLU 7 CO -0.22 -0.07 -0.25 0.87 -0.73 0.00 0.00 179.01 178.60 1c2n h LYS 8 N -0.12 -0.38 -0.68 1.92 1.57 -0.58 -1.61 116.57 116.69 1c2n h LYS 8 Ca 0.03 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.92 1c2n h LYS 8 Cb 0.16 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 1c2n h LYS 8 CO -0.08 -0.25 0.45 1.49 -0.57 0.00 0.00 179.45 180.49 1c2n h GLU 9 N -0.39 0.61 -0.01 3.15 4.81 -0.55 0.02 114.58 122.21 1c2n h GLU 9 Ca 0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1c2n h GLU 9 Cb 0.47 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1c2n h GLU 9 CO -0.22 0.40 0.08 0.35 -0.73 0.00 0.00 179.01 178.89 1c2n h PHE 10 N 0.63 0.00 0.00 0.92 3.57 0.19 0.46 116.94 122.71 1c2n h PHE 10 Ca 0.30 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 1c2n h PHE 10 Cb 0.37 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1c2n h PHE 10 CO -0.00 0.00 -0.03 -0.91 -2.23 0.00 0.00 178.31 175.14 1c2n h ASN 11 N 0.00 0.00 0.02 0.41 2.35 -0.92 0.19 115.58 117.62 1c2n h ASN 11 Ca 0.01 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.55 1c2n h ASN 11 Cb 0.16 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 1c2n h ASN 11 CO -0.00 0.03 -1.12 0.11 -1.65 0.00 0.00 177.43 174.80 1c2n h LYS 12 N 0.00 0.03 -1.04 0.81 1.57 -1.09 -3.39 116.57 113.46 1c2n h LYS 12 Ca -0.00 -0.06 0.28 0.00 -1.87 0.00 0.00 60.65 59.00 1c2n h LYS 12 Cb 0.11 0.02 -0.12 0.00 0.08 0.00 0.00 32.23 32.32 1c2n h LYS 12 CO 0.00 1.03 0.63 0.00 -0.57 0.00 0.00 179.45 180.55 1c2n h LYS 14 N 0.44 0.00 -0.03 0.00 5.09 -1.17 -0.16 116.57 120.75 1c2n h LYS 14 Ca 0.66 0.00 0.01 0.00 0.09 0.00 0.00 60.65 61.41 1c2n h LYS 14 Cb 1.49 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.82 1c2n h LYS 14 CO -0.44 0.00 0.07 1.15 -2.09 0.00 0.00 179.45 178.14 1c2n h THR 15 N 0.00 0.23 0.00 0.07 2.02 -1.22 0.74 112.91 114.75 1c2n h THR 15 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1c2n h THR 15 Cb 1.01 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1c2n h THR 15 CO -0.00 0.00 -0.95 0.00 0.37 0.00 0.00 175.52 174.93 1c2n s HIS 17 N -1.95 2.15 0.10 0.00 3.76 -0.81 -0.45 115.29 118.10 1c2n s HIS 17 Ca 0.00 -0.71 -0.07 0.00 -0.15 0.00 0.00 55.06 54.13 1c2n s HIS 17 Cb 0.00 -1.94 -0.01 0.00 1.11 0.00 0.00 32.58 31.74 1c2n s HIS 17 CO 0.00 -0.13 0.17 0.45 -0.85 0.00 0.00 174.74 174.38 1c2n s SER 18 N -4.09 0.17 -0.03 1.40 0.15 -1.18 -3.22 113.70 106.90 1c2n s SER 18 Ca 0.36 -0.81 0.03 0.00 0.70 0.00 0.00 55.95 56.23 1c2n s SER 18 Cb 0.00 0.34 -0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1c2n s SER 18 CO 0.21 -0.75 -0.13 -0.63 1.20 0.00 0.00 173.24 173.14 1c2n s ILE 19 N -3.91 1.12 -0.04 6.45 -1.09 -0.87 -0.54 121.20 122.32 1c2n s ILE 19 Ca 0.10 -0.54 0.05 0.00 -2.23 0.00 0.00 60.65 58.03 1c2n s ILE 19 Cb 0.05 -0.97 -0.02 0.00 -1.58 0.00 0.00 42.46 39.94 1c2n s ILE 19 CO -0.07 0.33 -0.20 -0.51 -1.23 0.00 0.00 174.94 173.26 1c2n s ILE 20 N 0.11 2.60 0.79 2.92 1.10 -1.26 -1.39 121.20 126.07 1c2n s ILE 20 Ca -0.03 -0.90 -0.11 0.00 -0.51 0.00 0.00 60.65 59.10 1c2n s ILE 20 Cb -0.10 -1.97 0.06 0.00 0.15 0.00 0.00 42.46 40.60 1c2n s ILE 20 CO 0.01 0.58 1.09 0.00 -2.11 0.00 0.00 174.94 174.51 1c2n s ALA 21 N -0.62 2.19 0.51 1.50 0.00 0.68 -4.85 121.76 121.16 1c2n s ALA 21 Ca 0.09 0.17 0.18 0.00 0.00 0.00 0.00 51.96 52.40 1c2n s ALA 21 Cb -0.11 -3.24 1.30 0.00 0.00 0.00 0.00 23.12 21.07 1c2n s ALA 21 CO 0.00 -1.80 2.14 -1.00 0.00 0.00 0.00 175.76 175.10 1c2n h PRO 22 N -1.15 0.00 0.00 0.00 0.13 -1.89 0.12 132.00 129.21 1c2n h PRO 22 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1c2n h PRO 22 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1c2n h PRO 22 CO 0.53 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 178.08 1c2n n ASP 23 N -4.40 0.00 0.00 1.44 9.92 -1.26 -4.85 116.55 117.40 1c2n n ASP 23 Ca -0.03 0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 1c2n n ASP 23 Cb 0.12 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 1c2n n ASP 23 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1c2n n GLY 24 N 0.16 3.25 3.67 0.44 0.00 0.42 -5.01 105.19 108.12 1c2n n GLY 24 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 1c2n n GLY 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1c2n n THR 25 N -2.00 0.64 -2.16 2.61 -1.04 -1.26 -4.55 114.28 106.52 1c2n n THR 25 Ca 0.00 -0.12 -0.30 0.00 -2.04 0.00 0.00 64.05 61.59 1c2n n THR 25 Cb 0.00 -2.13 -0.05 0.00 -1.82 0.00 0.00 70.33 66.33 1c2n n THR 25 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1c2n s GLU 26 N 4.03 2.77 0.03 -2.82 -1.05 -1.26 -0.23 118.70 120.17 1c2n s GLU 26 Ca 0.89 -0.92 -0.15 0.00 -0.15 0.00 0.00 54.97 54.64 1c2n s GLU 26 Cb -0.53 -5.22 -0.07 0.00 -0.44 0.00 0.00 34.13 27.87 1c2n s GLU 26 CO 0.45 -3.42 1.22 0.82 0.95 0.00 0.00 175.26 175.28 1c2n h ILE 27 N 6.58 0.00 -2.42 1.83 1.08 -1.80 -3.11 117.51 119.67 1c2n h ILE 27 Ca 0.19 0.00 -0.75 0.00 -0.39 0.00 0.00 64.86 63.92 1c2n h ILE 27 Cb 0.96 0.00 -0.19 0.00 -3.07 0.00 0.00 36.82 34.52 1c2n h ILE 27 CO 1.26 0.00 1.19 -0.69 -0.69 0.00 0.00 178.15 179.22 1c2n s VAL 28 N -4.16 5.19 -0.49 1.67 1.01 -0.48 -4.87 120.40 118.29 1c2n s VAL 28 Ca -0.07 -2.75 -0.04 0.00 0.00 0.00 0.00 61.98 59.12 1c2n s VAL 28 Cb 0.01 -4.86 -0.08 0.00 0.00 0.00 0.00 36.38 31.46 1c2n s VAL 28 CO 0.24 -1.54 1.98 2.29 0.00 0.00 0.00 175.10 178.06 1c2n n LYS 29 N 5.16 1.48 -0.35 2.72 2.85 -1.18 -2.05 118.16 126.79 1c2n n LYS 29 Ca 0.34 -1.00 -0.01 0.00 -1.05 0.00 0.00 58.31 56.59 1c2n n LYS 29 Cb 0.42 -2.14 0.01 0.00 -0.65 0.00 0.00 35.03 32.67 1c2n n LYS 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1c2n n GLY 30 N 3.40 -0.27 3.77 2.58 0.00 -1.26 -5.08 105.19 108.34 1c2n n GLY 30 Ca 0.32 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 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 1.99 -0.33 4.61 0.00 0.25 -4.73 121.76 120.12 1c2n s ALA 31 Ca 0.02 -0.14 0.07 0.00 0.00 0.00 0.00 51.96 51.91 1c2n s ALA 31 Cb -0.00 -3.14 0.46 0.00 0.00 0.00 0.00 23.12 20.43 1c2n s ALA 31 CO 0.02 -1.96 1.33 1.63 0.00 0.00 0.00 175.76 176.78 1c2n n LYS 32 N -3.60 3.05 -0.25 0.00 4.01 -1.24 -3.13 118.16 117.00 1c2n n LYS 32 Ca 0.07 -3.84 -0.06 0.00 -0.51 0.00 0.00 58.31 53.97 1c2n n LYS 32 Cb 0.56 -2.15 0.08 0.00 -0.51 0.00 0.00 35.03 33.01 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 1.75 1.26 -1.73 -0.18 2.02 -1.08 -3.43 112.91 111.52 1c2n h THR 33 Ca 0.34 -0.88 -0.57 0.00 0.77 0.00 0.00 66.41 66.07 1c2n h THR 33 Cb 1.39 0.44 -0.09 0.00 -1.74 0.00 0.00 68.15 68.15 1c2n h THR 33 CO 0.73 0.35 -0.54 -0.83 0.37 0.00 0.00 175.52 175.60 1c2n s GLY 34 N -3.44 2.21 0.69 2.16 0.00 -0.18 -5.03 107.32 103.73 1c2n s GLY 34 Ca -0.12 -2.04 -0.17 0.00 0.00 0.00 0.00 44.72 42.39 1c2n s GLY 34 CO 0.84 -1.90 1.20 -1.55 0.00 0.00 0.00 173.10 171.69 1c2n n PRO 35 N -1.13 0.83 -1.91 2.90 -0.04 -1.26 -4.65 135.00 129.74 1c2n n PRO 35 Ca -0.02 0.34 -0.42 0.00 -0.04 0.00 0.00 63.50 63.36 1c2n n PRO 35 Cb 0.64 -2.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.63 1c2n n PRO 35 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1c2n s ASN 36 N -1.55 6.58 -0.02 3.54 2.47 -1.26 -4.39 114.94 120.30 1c2n s ASN 36 Ca 0.79 2.55 0.15 0.00 0.42 0.00 0.00 52.86 56.77 1c2n s ASN 36 Cb -0.36 -2.57 0.46 0.00 -1.45 0.00 0.00 41.25 37.32 1c2n s ASN 36 CO 0.44 -0.88 1.36 0.18 -3.72 0.00 0.00 177.10 174.48 1c2n n LEU 37 N 5.18 2.87 -4.57 3.21 4.77 0.30 -4.80 117.00 123.95 1c2n n LEU 37 Ca 0.16 -1.44 -0.28 0.00 -0.03 0.00 0.00 56.01 54.42 1c2n n LEU 37 Cb 0.40 -0.37 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 1c2n n LEU 37 CO 0.63 0.65 1.46 -0.47 -1.33 0.00 0.00 177.39 178.32 1c2n s TYR 38 N -1.44 1.91 0.00 -1.77 5.04 -1.26 -2.87 117.35 116.96 1c2n s TYR 38 Ca 0.34 0.52 0.00 0.00 -2.44 0.00 0.00 57.07 55.49 1c2n s TYR 38 Cb 0.19 -4.01 0.00 0.00 0.35 0.00 0.00 41.96 38.49 1c2n s TYR 38 CO 0.21 -1.35 0.00 0.41 -1.34 0.00 0.00 175.55 173.48 1c2n n GLY 39 N 6.09 0.97 0.17 8.97 0.00 -1.26 -4.95 105.19 115.18 1c2n n GLY 39 Ca 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.27 1.61 2.07 -1.83 -3.39 116.25 114.67 1c2n h VAL 40 Ca 0.00 -0.82 -0.67 0.00 0.82 0.00 0.00 66.70 66.03 1c2n h VAL 40 Cb 0.00 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1c2n h VAL 40 CO 0.00 0.27 1.32 0.52 0.02 0.00 0.00 177.57 179.70 1c2n n VAL 41 N -4.62 0.25 0.00 2.57 0.31 -1.26 -0.18 118.33 115.40 1c2n n VAL 41 Ca -0.02 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1c2n n VAL 41 Cb 0.22 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 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 6.02 2.89 3.77 2.92 0.00 0.34 -4.98 105.19 116.14 1c2n n GLY 42 Ca 0.37 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.81 4.34 -0.72 1.61 6.06 0.75 -4.30 118.95 125.88 1c2n s ARG 43 Ca 0.00 2.23 -0.24 0.00 -2.50 0.00 0.00 55.73 55.22 1c2n s ARG 43 Cb 0.00 -3.08 -0.20 0.00 0.06 0.00 0.00 34.95 31.73 1c2n s ARG 43 CO 0.00 -0.23 1.87 2.41 -2.50 0.00 0.00 175.30 176.85 1c2n n THR 44 N 1.07 1.33 -4.46 4.11 -1.04 -1.26 -0.67 114.28 113.35 1c2n n THR 44 Ca 0.01 -1.23 0.00 0.00 -2.04 0.00 0.00 64.05 60.80 1c2n n THR 44 Cb 0.42 -2.20 0.00 0.00 -1.82 0.00 0.00 70.33 66.73 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 10.15 0.00 -1.86 2.41 0.00 -0.93 -3.78 120.51 126.50 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 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 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 2.38 0.04 0.00 0.00 -1.23 -4.23 105.19 102.15 1c2n n GLY 46 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 6.52 0.20 -1.85 2.61 -2.24 -1.25 -4.37 114.28 113.90 1c2n n THR 47 Ca 0.48 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.64 1c2n n THR 47 Cb 0.43 0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 69.50 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 -0.21 2.89 0.79 4.78 6.14 -1.26 -4.92 117.35 125.57 1c2n s TYR 48 Ca 0.01 0.74 -0.16 0.00 0.64 0.00 0.00 57.07 58.29 1c2n s TYR 48 Cb 0.00 -4.00 -0.06 0.00 0.42 0.00 0.00 41.96 38.33 1c2n s TYR 48 CO 0.00 -3.47 0.18 -2.30 0.64 0.00 0.00 175.55 170.60 1c2n n PRO 49 N 2.84 0.08 -3.55 4.97 -0.02 -1.26 -4.16 135.00 133.90 1c2n n PRO 49 Ca 0.10 0.06 -0.21 0.00 -2.02 0.00 0.00 63.50 61.43 1c2n n PRO 49 Cb 0.38 -1.59 0.02 0.00 -0.02 0.00 0.00 33.50 32.29 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 -0.09 -1.33 -3.61 -0.52 -0.58 -1.26 -4.82 120.64 108.42 1c2n n GLU 50 Ca 0.07 0.83 -0.02 0.00 -0.42 0.00 0.00 57.16 57.61 1c2n n GLU 50 Cb 0.51 -4.02 -0.05 0.00 -0.57 0.00 0.00 31.44 27.31 1c2n n GLU 50 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1c2n s PHE 51 N -3.20 -1.13 -0.99 -0.32 5.36 -1.26 -4.90 117.98 111.56 1c2n s PHE 51 Ca 0.21 2.04 -0.23 0.00 -0.96 0.00 0.00 56.93 57.98 1c2n s PHE 51 Cb -0.07 0.67 0.01 0.00 -0.34 0.00 0.00 43.02 43.29 1c2n s PHE 51 CO 0.84 -0.56 1.67 0.21 -1.46 0.00 0.00 175.22 175.92 1c2n s LYS 52 N 2.38 3.16 0.24 10.12 2.20 -1.26 -4.99 119.74 131.59 1c2n s LYS 52 Ca -0.07 -0.82 -0.04 0.00 -0.36 0.00 0.00 55.97 54.69 1c2n s LYS 52 Cb -0.09 -5.24 0.06 0.00 -1.51 0.00 0.00 37.83 31.05 1c2n s LYS 52 CO -0.19 -2.73 0.24 0.66 -0.36 0.00 0.00 175.35 172.98 1c2n n TYR 53 N 11.06 -3.47 -4.13 4.03 4.01 -1.26 -5.11 117.16 122.28 1c2n n TYR 53 Ca 0.37 -0.22 -0.24 0.00 -0.16 0.00 0.00 57.90 57.65 1c2n n TYR 53 Cb 0.49 -0.23 -0.07 0.00 -0.31 0.00 0.00 39.34 39.22 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 -3.55 2.28 0.33 -0.72 1.02 -1.26 -5.05 119.74 112.80 1c2n s LYS 54 Ca 0.15 -1.67 0.02 0.00 0.02 0.00 0.00 55.97 54.49 1c2n s LYS 54 Cb -0.01 -2.08 0.57 0.00 -0.52 0.00 0.00 37.83 35.79 1c2n s LYS 54 CO 0.11 0.04 1.93 -0.44 -0.92 0.00 0.00 175.35 176.07 1c2n h ASP 55 N 1.55 0.68 0.23 2.83 5.19 -1.95 -2.87 116.42 122.08 1c2n h ASP 55 Ca -0.43 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 55.90 1c2n h ASP 55 Cb 1.25 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.59 1c2n h ASP 55 CO 0.66 0.60 -0.11 0.77 -3.12 0.00 0.00 179.24 178.03 1c2n h SER 56 N 0.75 -0.27 -0.87 6.45 4.64 -1.84 0.85 113.55 123.26 1c2n h SER 56 Ca 0.18 0.01 0.14 0.00 -0.47 0.00 0.00 61.79 61.66 1c2n h SER 56 Cb 0.11 0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 62.20 1c2n h SER 56 CO -0.02 -0.17 0.56 -0.29 -0.87 0.00 0.00 176.83 176.04 1c2n h ILE 57 N -0.36 0.84 0.06 0.95 6.09 -1.74 0.15 117.51 123.50 1c2n h ILE 57 Ca -0.03 -0.23 -0.00 0.00 -1.37 0.00 0.00 64.86 63.23 1c2n h ILE 57 Cb 0.24 0.12 0.00 0.00 0.47 0.00 0.00 36.82 37.65 1c2n h ILE 57 CO 0.05 0.12 -0.03 0.58 -3.07 0.00 0.00 178.15 175.80 1c2n h VAL 58 N 0.66 1.18 -0.80 2.19 2.07 -1.53 -2.76 116.25 117.27 1c2n h VAL 58 Ca 0.43 -0.87 0.09 0.00 0.82 0.00 0.00 66.70 67.17 1c2n h VAL 58 Cb 0.72 1.75 -0.05 0.00 -1.52 0.00 0.00 31.29 32.19 1c2n h VAL 58 CO -0.19 0.22 0.52 0.00 0.02 0.00 0.00 177.57 178.14 1c2n h ALA 59 N 0.42 1.73 -0.28 1.67 0.00 0.24 0.60 119.26 123.64 1c2n h ALA 59 Ca -0.01 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1c2n h ALA 59 Cb 0.42 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1c2n h ALA 59 CO 0.01 0.12 0.03 1.25 0.00 0.00 0.00 179.25 180.66 1c2n h LEU 60 N 0.77 -0.03 -0.04 0.00 6.46 -0.60 0.10 115.31 121.97 1c2n h LEU 60 Ca 0.37 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 58.19 1c2n h LEU 60 Cb 0.41 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 1c2n h LEU 60 CO -0.14 0.02 -0.02 1.23 -0.62 0.00 0.00 178.44 178.90 1c2n h GLY 61 N 0.13 0.01 0.70 3.75 0.00 -0.80 -1.81 103.07 105.06 1c2n h GLY 61 Ca 0.13 0.03 0.16 0.00 0.00 0.00 0.00 47.33 47.66 1c2n h GLY 61 CO -0.19 -0.03 0.48 0.00 0.00 0.00 0.00 176.54 176.80 1c2n h ALA 62 N 1.01 2.33 0.00 3.60 0.00 -0.30 0.21 119.26 126.11 1c2n h ALA 62 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1c2n h ALA 62 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1c2n h ALA 62 CO -0.05 -0.52 0.00 0.43 0.00 0.00 0.00 179.25 179.10 1c2n n SER 63 N -4.42 0.24 -0.00 0.00 7.64 0.30 -4.79 113.62 112.57 1c2n n SER 63 Ca 0.13 -1.55 -0.00 0.00 1.01 0.00 0.00 58.87 58.46 1c2n n SER 63 Cb 0.61 -0.12 -0.00 0.00 -1.01 0.00 0.00 64.21 63.69 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 0.23 0.37 3.66 0.23 0.00 0.74 -5.03 105.19 105.38 1c2n n GLY 64 Ca 0.00 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 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 3.37 -0.12 1.61 2.19 -1.10 -5.04 117.98 116.89 1c2n s PHE 65 Ca 0.00 0.95 -0.00 0.00 0.33 0.00 0.00 56.93 58.21 1c2n s PHE 65 Cb 0.00 -2.82 -0.02 0.00 -1.31 0.00 0.00 43.02 38.87 1c2n s PHE 65 CO 0.00 -0.19 -0.11 0.00 1.83 0.00 0.00 175.22 176.74 1c2n s ALA 66 N 1.98 2.70 -0.74 11.12 0.00 -1.26 -2.20 121.76 133.36 1c2n s ALA 66 Ca 0.29 -0.88 -0.26 0.00 0.00 0.00 0.00 51.96 51.11 1c2n s ALA 66 Cb -0.16 -1.25 -0.08 0.00 0.00 0.00 0.00 23.12 21.63 1c2n s ALA 66 CO 0.10 0.29 2.20 -1.58 0.00 0.00 0.00 175.76 176.77 1c2n s TRP 67 N 0.20 1.39 0.79 0.00 0.23 0.15 -4.85 118.94 116.85 1c2n s TRP 67 Ca -0.07 1.35 -0.12 0.00 -2.03 0.00 0.00 56.10 55.23 1c2n s TRP 67 Cb -0.15 -3.73 0.07 0.00 0.03 0.00 0.00 33.47 29.69 1c2n s TRP 67 CO 0.05 -1.91 1.16 0.95 0.96 0.00 0.00 176.95 178.16 1c2n s THR 68 N 12.15 2.35 0.25 2.01 -4.23 -1.26 -0.51 115.64 126.40 1c2n s THR 68 Ca 0.83 0.11 -0.05 0.00 -1.18 0.00 0.00 61.69 61.41 1c2n s THR 68 Cb -0.12 -3.11 0.23 0.00 1.34 0.00 0.00 72.50 70.85 1c2n s THR 68 CO 0.11 -0.15 1.87 -0.33 -0.54 0.00 0.00 174.62 175.58 1c2n h GLU 69 N -0.97 1.05 -0.05 3.99 4.39 -1.94 0.44 114.58 121.49 1c2n h GLU 69 Ca -0.46 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.17 1c2n h GLU 69 Cb 1.31 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1c2n h GLU 69 CO 0.65 0.70 0.01 0.93 -1.16 0.00 0.00 179.01 180.15 1c2n h GLU 70 N 1.09 0.08 0.07 2.33 5.08 -1.97 0.25 114.58 121.50 1c2n h GLU 70 Ca 0.39 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.74 1c2n h GLU 70 Cb 0.11 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1c2n h GLU 70 CO -0.15 0.26 -0.11 -0.44 -1.00 0.00 0.00 179.01 177.57 1c2n h ASP 71 N -0.12 -0.29 0.08 1.42 3.32 -1.74 0.31 116.42 119.40 1c2n h ASP 71 Ca 0.02 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.12 1c2n h ASP 71 Cb 0.22 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 1c2n h ASP 71 CO -0.00 -0.16 -0.27 0.40 -1.72 0.00 0.00 179.24 177.49 1c2n h ILE 72 N -0.22 0.40 -0.44 0.35 2.04 -0.85 0.12 117.51 118.91 1c2n h ILE 72 Ca 0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.96 1c2n h ILE 72 Cb 0.23 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 36.64 1c2n h ILE 72 CO -0.06 0.00 0.01 0.00 0.00 0.00 0.00 178.15 178.10 1c2n h ALA 73 N 0.28 0.41 -0.30 1.87 0.00 -0.73 -0.79 119.26 120.01 1c2n h ALA 73 Ca 0.04 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1c2n h ALA 73 Cb 0.51 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1c2n h ALA 73 CO -0.18 -0.38 -0.11 1.15 0.00 0.00 0.00 179.25 179.73 1c2n h THR 74 N 0.12 1.29 -0.68 0.00 2.02 -0.61 -2.98 112.91 112.08 1c2n h THR 74 Ca 0.22 -1.19 0.09 0.00 0.77 0.00 0.00 66.41 66.30 1c2n h THR 74 Cb 0.31 1.43 -0.07 0.00 -1.74 0.00 0.00 68.15 68.08 1c2n h THR 74 CO -0.35 0.38 0.33 0.22 0.37 0.00 0.00 175.52 176.47 1c2n h TYR 75 N 0.36 0.59 0.00 3.16 3.20 -0.28 0.23 116.97 124.24 1c2n h TYR 75 Ca 0.07 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1c2n h TYR 75 Cb 0.62 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.73 1c2n h TYR 75 CO 0.06 0.22 -0.01 0.28 -1.64 0.00 0.00 178.16 177.07 1c2n h VAL 76 N 0.57 0.69 0.05 1.81 2.07 -1.05 -2.12 116.25 118.28 1c2n h VAL 76 Ca 0.33 -0.02 -0.31 0.00 0.82 0.00 0.00 66.70 67.52 1c2n h VAL 76 Cb 0.34 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1c2n h VAL 76 CO -0.26 0.01 -1.75 0.11 0.02 0.00 0.00 177.57 175.69 1c2n h LYS 77 N 0.00 0.10 -2.03 1.57 1.57 -0.56 0.03 116.57 117.26 1c2n h LYS 77 Ca -0.00 -0.18 -0.55 0.00 -1.87 0.00 0.00 60.65 58.05 1c2n h LYS 77 Cb 0.01 0.07 -0.40 0.00 0.08 0.00 0.00 32.23 31.99 1c2n h LYS 77 CO 0.00 0.79 -1.07 -0.25 -0.57 0.00 0.00 179.45 178.35 1c2n n ASP 78 N -3.23 0.78 -4.73 0.86 8.00 0.52 -4.57 116.55 114.18 1c2n n ASP 78 Ca -0.21 -2.86 -0.39 0.00 0.71 0.00 0.00 54.79 52.04 1c2n n ASP 78 Cb 1.05 -0.64 0.03 0.00 -0.02 0.00 0.00 41.12 41.54 1c2n n ASP 78 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1c2n n PRO 79 N 1.04 1.83 0.00 -0.24 -0.02 -0.84 -1.18 135.00 135.59 1c2n n PRO 79 Ca 0.23 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1c2n n PRO 79 Cb 0.55 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1c2n n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1c2n n GLY 80 N 0.76 1.73 0.28 -1.23 0.00 -1.26 -4.45 105.19 101.03 1c2n n GLY 80 Ca 0.08 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.12 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 1.09 -0.95 4.61 0.00 -1.80 0.11 119.26 122.33 1c2n h ALA 81 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1c2n h ALA 81 Cb 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1c2n h ALA 81 CO 0.00 -0.09 0.61 0.35 0.00 0.00 0.00 179.25 180.11 1c2n h PHE 82 N 0.58 1.21 0.74 0.00 3.57 -1.37 0.26 116.94 121.93 1c2n h PHE 82 Ca 0.40 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.88 1c2n h PHE 82 Cb 0.51 -0.40 0.01 0.00 2.79 0.00 0.00 35.95 38.85 1c2n h PHE 82 CO -0.12 0.78 -0.35 -0.07 -2.23 0.00 0.00 178.31 176.32 1c2n h LEU 83 N 1.29 -0.84 -0.91 0.59 4.07 -1.25 -3.31 115.31 114.96 1c2n h LEU 83 Ca 0.34 0.03 0.18 0.00 0.08 0.00 0.00 57.88 58.51 1c2n h LEU 83 Cb -0.11 0.22 -0.17 0.00 1.08 0.00 0.00 40.66 41.67 1c2n h LEU 83 CO -0.07 -0.47 -0.24 0.11 -1.08 0.00 0.00 178.44 176.69 1c2n h LYS 84 N -1.24 -0.00 -0.99 1.13 1.57 -0.58 0.18 116.57 116.64 1c2n h LYS 84 Ca -0.10 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.85 1c2n h LYS 84 Cb 0.76 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.89 1c2n h LYS 84 CO 0.17 -0.00 -0.32 -1.91 -0.57 0.00 0.00 179.45 176.81 1c2n n GLU 85 N -5.57 -0.16 -0.09 3.15 2.13 0.05 0.03 120.64 120.17 1c2n n GLU 85 Ca 0.14 1.54 -0.17 0.00 0.66 0.00 0.00 57.16 59.33 1c2n n GLU 85 Cb 0.45 -2.29 -0.09 0.00 0.27 0.00 0.00 31.44 29.78 1c2n n GLU 85 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1c2n h LYS 86 N 0.00 0.00 0.00 5.31 1.57 -1.14 -3.41 116.57 118.91 1c2n h LYS 86 Ca 0.41 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.16 1c2n h LYS 86 Cb 0.66 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 1c2n h LYS 86 CO -1.00 0.72 -0.11 1.25 -0.57 0.00 0.00 179.45 179.73 1c2n h LEU 87 N -1.00 0.00 -1.66 2.94 5.85 -0.63 -3.47 115.31 117.34 1c2n h LEU 87 Ca -0.25 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 57.92 1c2n h LEU 87 Cb 1.07 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 41.94 1c2n h LEU 87 CO -0.15 0.11 -0.89 -0.67 -0.34 0.00 0.00 178.44 176.50 1c2n n ASP 88 N -3.21 -1.00 -4.15 1.25 2.03 0.10 -4.96 116.55 106.61 1c2n n ASP 88 Ca 0.01 -1.09 -0.29 0.00 0.52 0.00 0.00 54.79 53.93 1c2n n ASP 88 Cb 0.42 -2.50 -0.17 0.00 -0.72 0.00 0.00 41.12 38.15 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 -3.97 2.63 0.46 1.67 2.15 -1.26 -5.02 116.67 113.33 1c2n s ASP 89 Ca 0.29 -0.47 0.13 0.00 0.43 0.00 0.00 52.55 52.93 1c2n s ASP 89 Cb -0.16 -1.21 1.06 0.00 -0.30 0.00 0.00 42.92 42.31 1c2n s ASP 89 CO 0.94 0.11 2.07 0.11 -0.17 0.00 0.00 175.17 178.23 1c2n h LYS 90 N 6.81 0.15 -0.69 4.34 6.56 -1.96 -0.78 116.57 131.02 1c2n h LYS 90 Ca -0.23 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.34 1c2n h LYS 90 Cb 1.22 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1c2n h LYS 90 CO 0.47 0.17 0.00 1.17 -2.06 0.00 0.00 179.45 179.20 1c2n n LYS 91 N -4.45 2.39 -1.64 3.15 3.00 -1.26 -4.61 118.16 114.74 1c2n n LYS 91 Ca -0.01 -1.26 -0.41 0.00 -0.00 0.00 0.00 58.31 56.63 1c2n n LYS 91 Cb 0.14 -1.67 -0.01 0.00 0.00 0.00 0.00 35.03 33.49 1c2n n LYS 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1c2n n ALA 92 N 0.30 6.49 -3.29 3.14 0.00 -0.30 -4.65 120.51 122.20 1c2n n ALA 92 Ca 0.11 -3.80 -0.18 0.00 0.00 0.00 0.00 53.44 49.57 1c2n n ALA 92 Cb 0.54 -3.34 0.03 0.00 0.00 0.00 0.00 19.45 16.68 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 4.41 0.80 -3.88 0.00 5.02 -1.26 -4.00 118.16 119.25 1c2n n LYS 93 Ca 0.63 -2.25 -0.11 0.00 -2.02 0.00 0.00 58.31 54.56 1c2n n LYS 93 Cb 0.31 -0.02 -0.10 0.00 -0.02 0.00 0.00 35.03 35.21 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 -1.64 0.09 0.37 -0.18 -1.32 -1.26 -4.29 115.64 107.41 1c2n s THR 94 Ca 0.35 -0.76 0.38 0.00 -1.21 0.00 0.00 61.69 60.45 1c2n s THR 94 Cb -0.03 -0.52 0.39 0.00 -1.51 0.00 0.00 72.50 70.83 1c2n s THR 94 CO 0.22 -0.42 2.16 1.23 -2.21 0.00 0.00 174.62 175.60 1c2n h GLY 95 N 4.13 0.00 -7.28 6.08 0.00 -2.00 -3.41 103.07 100.60 1c2n h GLY 95 Ca -0.31 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.85 1c2n h GLY 95 CO 0.42 0.00 0.53 -0.29 0.00 0.00 0.00 176.54 177.20 1c2n s MET 96 N -3.93 1.83 -1.26 4.80 -2.45 -1.26 -4.81 119.30 112.21 1c2n s MET 96 Ca -0.03 -0.71 -0.09 0.00 -1.25 0.00 0.00 55.69 53.61 1c2n s MET 96 Cb 0.11 -5.09 -0.11 0.00 1.25 0.00 0.00 34.83 30.99 1c2n s MET 96 CO 0.39 -4.71 3.06 0.00 1.05 0.00 0.00 175.02 174.81 1c2n n ALA 97 N 17.10 7.27 -3.61 4.11 0.00 -1.26 -4.73 120.51 139.39 1c2n n ALA 97 Ca 0.43 -3.21 -0.14 0.00 0.00 0.00 0.00 53.44 50.52 1c2n n ALA 97 Cb 0.47 -3.10 -0.07 0.00 0.00 0.00 0.00 19.45 16.74 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 1.65 -0.70 0.31 0.00 5.36 -1.26 -5.19 117.98 118.16 1c2n s PHE 98 Ca 0.68 1.61 -0.10 0.00 -0.96 0.00 0.00 56.93 58.16 1c2n s PHE 98 Cb 0.21 0.32 0.01 0.00 -0.34 0.00 0.00 43.02 43.22 1c2n s PHE 98 CO -0.05 -0.39 0.55 -1.59 -1.46 0.00 0.00 175.22 172.28 1c2n s LYS 99 N 0.02 1.84 -0.27 10.12 -2.85 -1.26 -4.80 119.74 122.54 1c2n s LYS 99 Ca -0.01 -1.48 -0.10 0.00 -1.00 0.00 0.00 55.97 53.38 1c2n s LYS 99 Cb -0.04 0.50 0.11 0.00 -2.06 0.00 0.00 37.83 36.34 1c2n s LYS 99 CO 0.01 -0.79 0.61 -1.17 0.10 0.00 0.00 175.35 174.11 1c2n s LEU 100 N -3.11 -0.99 -0.03 2.77 2.96 -0.01 -5.01 118.68 115.26 1c2n s LEU 100 Ca 0.24 1.45 -0.06 0.00 -0.22 0.00 0.00 54.13 55.53 1c2n s LEU 100 Cb -0.02 2.13 -0.26 0.00 0.50 0.00 0.00 46.19 48.54 1c2n s LEU 100 CO 0.14 -0.22 3.60 0.00 -1.32 0.00 0.00 176.35 178.54 1c2n n ALA 101 N 5.20 6.37 0.00 5.97 0.00 -1.26 -3.77 120.51 133.02 1c2n n ALA 101 Ca -0.13 -1.85 0.00 0.00 0.00 0.00 0.00 53.44 51.46 1c2n n ALA 101 Cb 0.51 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.62 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 2.52 -2.52 0.00 0.00 2.85 -1.26 -5.05 118.16 114.71 1c2n n LYS 102 Ca 0.43 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.69 1c2n n LYS 102 Cb 0.90 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.28 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 -0.29 1.51 0.29 2.58 0.00 -1.26 -4.71 105.19 103.32 1c2n n GLY 103 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.36 0.48 -0.02 0.00 -1.26 -0.38 105.19 102.64 1c2n n GLY 104 Ca 0.00 0.87 -0.17 0.00 0.00 0.00 0.00 46.02 46.71 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 -0.93 -0.70 1.61 9.09 -1.84 0.17 114.58 121.98 1c2n h GLU 105 Ca 0.39 0.06 -0.04 0.00 0.05 0.00 0.00 59.36 59.82 1c2n h GLU 105 Cb 0.59 0.21 -0.03 0.00 -1.65 0.00 0.00 28.75 27.87 1c2n h GLU 105 CO -0.83 -0.62 0.27 0.38 0.05 0.00 0.00 179.01 178.26 1c2n h ASP 106 N -0.97 0.97 -0.80 3.06 2.03 -1.46 -2.68 116.42 116.57 1c2n h ASP 106 Ca -0.06 -0.18 0.02 0.00 -0.73 0.00 0.00 57.03 56.08 1c2n h ASP 106 Cb 0.84 -0.25 -0.04 0.00 -0.83 0.00 0.00 39.33 39.04 1c2n h ASP 106 CO -0.05 0.89 0.53 0.58 -1.03 0.00 0.00 179.24 180.15 1c2n h VAL 107 N 1.00 1.18 -0.16 4.15 2.07 -0.62 0.18 116.25 124.06 1c2n h VAL 107 Ca 0.23 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1c2n h VAL 107 Cb 0.22 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1c2n h VAL 107 CO -0.02 0.19 0.05 0.00 0.02 0.00 0.00 177.57 177.82 1c2n h ALA 108 N 1.31 0.17 -0.62 1.67 0.00 -0.35 0.14 119.26 121.57 1c2n h ALA 108 Ca 0.30 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.27 1c2n h ALA 108 Cb -0.08 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1c2n h ALA 108 CO -0.08 -0.39 0.36 0.00 0.00 0.00 0.00 179.25 179.14 1c2n h ALA 109 N 1.10 0.82 0.17 0.00 0.00 -1.12 0.26 119.26 120.49 1c2n h ALA 109 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1c2n h ALA 109 Cb 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1c2n h ALA 109 CO -0.07 0.07 -0.29 -0.92 0.00 0.00 0.00 179.25 178.04 1c2n h TYR 110 N 0.69 -0.78 -1.00 0.00 3.20 -0.40 0.10 116.97 118.78 1c2n h TYR 110 Ca 0.26 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.26 1c2n h TYR 110 Cb 0.09 0.32 -0.08 0.00 1.54 0.00 0.00 36.73 38.60 1c2n h TYR 110 CO -0.07 -0.40 0.63 -0.07 -1.64 0.00 0.00 178.16 176.61 1c2n h LEU 111 N -0.54 0.92 0.76 2.82 3.38 0.08 0.21 115.31 122.94 1c2n h LEU 111 Ca 0.02 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1c2n h LEU 111 Cb 0.54 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.16 1c2n h LEU 111 CO -0.13 0.49 -0.37 0.00 0.09 0.00 0.00 178.44 178.53 1c2n h ALA 112 N 1.53 -1.02 -0.55 1.53 0.00 -0.57 -3.21 119.26 116.97 1c2n h ALA 112 Ca 0.49 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.27 1c2n h ALA 112 Cb 0.47 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1c2n h ALA 112 CO -0.26 -1.01 0.38 0.66 0.00 0.00 0.00 179.25 179.01 1c2n h SER 113 N -1.15 0.28 -0.64 0.00 4.64 0.07 -1.15 113.55 115.59 1c2n h SER 113 Ca -0.10 0.01 0.13 0.00 -0.47 0.00 0.00 61.79 61.35 1c2n h SER 113 Cb 0.80 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.80 1c2n h SER 113 CO 0.17 0.17 0.44 0.58 -0.87 0.00 0.00 176.83 177.32 1c2n h VAL 114 N 0.31 0.81 -0.40 0.95 2.07 -0.64 -3.36 116.25 115.99 1c2n h VAL 114 Ca 0.26 -0.10 -0.19 0.00 0.82 0.00 0.00 66.70 67.48 1c2n h VAL 114 Cb 0.60 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1c2n h VAL 114 CO -0.06 0.06 0.57 -0.69 0.02 0.00 0.00 177.57 177.47 1c2n s VAL 115 N -5.30 3.31 0.00 2.57 1.01 -0.44 -4.99 120.40 116.57 1c2n s VAL 115 Ca -0.07 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1c2n s VAL 115 Cb 0.20 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1c2n s VAL 115 CO 0.75 -0.59 0.06 2.29 0.00 0.00 0.00 175.10 177.62