#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 2.87 -0.34 1.61 9.92 -1.26 -4.76 116.55 124.58 1c2n n ASP 2 Ca 0.00 -2.71 0.22 0.00 -0.53 0.00 0.00 54.79 51.77 1c2n n ASP 2 Cb 0.00 -1.32 0.44 0.00 -0.64 0.00 0.00 41.12 39.61 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 8.07 1.90 -0.58 2.24 0.00 -1.88 0.27 119.26 129.28 1c2n h ALA 3 Ca 0.40 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.48 1c2n h ALA 3 Cb 0.73 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1c2n h ALA 3 CO 1.79 -0.47 0.38 0.00 0.00 0.00 0.00 179.25 180.95 1c2n h ALA 4 N 1.81 0.73 -0.22 0.00 0.00 -1.89 0.12 119.26 119.80 1c2n h ALA 4 Ca 0.70 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.46 1c2n h ALA 4 Cb 1.52 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1c2n h ALA 4 CO -0.56 0.17 -0.29 0.87 0.00 0.00 0.00 179.25 179.45 1c2n h LYS 5 N 0.78 0.59 -0.78 0.00 1.57 -0.94 -3.21 116.57 114.58 1c2n h LYS 5 Ca 0.21 -0.34 0.16 0.00 -1.87 0.00 0.00 60.65 58.82 1c2n h LYS 5 Cb -0.09 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.14 1c2n h LYS 5 CO -0.05 0.94 0.27 0.78 -0.57 0.00 0.00 179.45 180.82 1c2n h GLY 6 N 0.28 1.17 0.40 3.86 0.00 -0.50 0.89 103.07 109.18 1c2n h GLY 6 Ca 0.03 -0.10 0.09 0.00 0.00 0.00 0.00 47.33 47.34 1c2n h GLY 6 CO 0.07 -0.17 0.20 -2.09 0.00 0.00 0.00 176.54 174.54 1c2n h GLU 7 N 0.36 0.36 -0.06 4.80 4.81 -0.79 0.21 114.58 124.28 1c2n h GLU 7 Ca 0.44 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.61 1c2n h GLU 7 Cb 0.74 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1c2n h GLU 7 CO -0.47 0.24 -0.11 0.87 -0.73 0.00 0.00 179.01 178.80 1c2n h LYS 8 N 0.37 0.18 -0.29 1.92 1.57 -0.96 -3.15 116.57 116.21 1c2n h LYS 8 Ca 0.29 -0.11 0.07 0.00 -1.87 0.00 0.00 60.65 59.02 1c2n h LYS 8 Cb 0.35 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1c2n h LYS 8 CO -0.30 0.70 0.20 1.49 -0.57 0.00 0.00 179.45 180.97 1c2n h GLU 9 N -0.32 0.08 0.00 3.15 4.81 -0.54 -0.28 114.58 121.49 1c2n h GLU 9 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1c2n h GLU 9 Cb 0.69 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1c2n h GLU 9 CO 0.03 0.05 0.18 0.35 -0.73 0.00 0.00 179.01 178.88 1c2n h PHE 10 N 0.08 0.00 -0.76 0.92 3.57 -0.54 -0.42 116.94 119.79 1c2n h PHE 10 Ca 0.13 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.81 1c2n h PHE 10 Cb 0.43 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 1c2n h PHE 10 CO -0.00 0.00 0.52 -0.97 -2.23 0.00 0.00 178.31 175.63 1c2n h ASN 11 N 0.00 0.29 0.86 0.41 -1.24 -1.19 0.35 115.58 115.05 1c2n h ASN 11 Ca 0.00 0.02 -0.09 0.00 0.71 0.00 0.00 56.30 56.94 1c2n h ASN 11 Cb 0.36 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.36 1c2n h ASN 11 CO 0.00 0.14 -0.43 0.11 -1.29 0.00 0.00 177.43 175.96 1c2n h LYS 12 N 0.30 0.00 0.04 6.67 1.57 -1.31 -3.14 116.57 120.70 1c2n h LYS 12 Ca 0.38 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.03 1c2n h LYS 12 Cb 1.04 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.36 1c2n h LYS 12 CO -0.10 0.43 -0.53 0.00 -0.57 0.00 0.00 179.45 178.68 1c2n h LYS 14 N -0.35 0.12 -0.74 0.00 3.64 -0.82 0.26 116.57 118.68 1c2n h LYS 14 Ca -0.08 -0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.49 1c2n h LYS 14 Cb 1.31 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.07 1c2n h LYS 14 CO 0.10 0.08 0.52 1.15 -2.27 0.00 0.00 179.45 179.03 1c2n h THR 15 N 0.12 0.67 0.00 1.00 2.02 -1.62 -0.55 112.91 114.56 1c2n h THR 15 Ca 0.67 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.81 1c2n h THR 15 Cb 2.30 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 1c2n h THR 15 CO -0.16 0.02 -0.99 0.00 0.37 0.00 0.00 175.52 174.76 1c2n n HIS 17 N -2.41 -2.16 -3.85 0.00 8.25 0.64 0.12 115.22 115.82 1c2n n HIS 17 Ca 0.00 -0.79 -0.08 0.00 -0.26 0.00 0.00 57.72 56.59 1c2n n HIS 17 Cb 0.49 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 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 -2.24 -0.24 -0.03 0.41 0.01 -1.22 -2.39 113.70 108.01 1c2n s SER 18 Ca 0.18 -0.63 0.01 0.00 1.31 0.00 0.00 55.95 56.82 1c2n s SER 18 Cb -0.01 0.66 0.01 0.00 0.21 0.00 0.00 66.02 66.89 1c2n s SER 18 CO 0.11 -1.22 -0.05 -0.63 0.41 0.00 0.00 173.24 171.86 1c2n s ILE 19 N -3.93 0.50 0.10 1.44 1.01 -0.92 -0.39 121.20 119.01 1c2n s ILE 19 Ca 0.13 -0.16 0.06 0.00 0.00 0.00 0.00 60.65 60.68 1c2n s ILE 19 Cb -0.04 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 1c2n s ILE 19 CO 0.05 0.19 -0.07 -0.51 0.00 0.00 0.00 174.94 174.60 1c2n s ILE 20 N 0.57 3.57 0.55 2.92 1.10 -1.26 -1.00 121.20 127.65 1c2n s ILE 20 Ca -0.07 -1.17 -0.06 0.00 -0.51 0.00 0.00 60.65 58.84 1c2n s ILE 20 Cb -0.11 -2.68 -0.02 0.00 0.15 0.00 0.00 42.46 39.81 1c2n s ILE 20 CO -0.00 0.12 0.87 0.00 -2.11 0.00 0.00 174.94 173.82 1c2n s ALA 21 N -1.24 3.31 0.39 1.50 0.00 0.53 -4.83 121.76 121.42 1c2n s ALA 21 Ca 0.23 -0.52 0.19 0.00 0.00 0.00 0.00 51.96 51.85 1c2n s ALA 21 Cb -0.11 -2.67 1.12 0.00 0.00 0.00 0.00 23.12 21.46 1c2n s ALA 21 CO 0.15 -0.59 1.74 -1.35 0.00 0.00 0.00 175.76 175.71 1c2n h PRO 22 N -0.03 0.36 -0.22 0.00 0.11 -1.88 0.15 132.00 130.48 1c2n h PRO 22 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1c2n h PRO 22 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1c2n h PRO 22 CO 0.61 0.24 0.00 -0.25 -0.21 0.00 0.00 178.00 178.39 1c2n n ASP 23 N -4.69 0.22 -2.69 -2.05 9.92 -1.26 -4.78 116.55 111.22 1c2n n ASP 23 Ca 0.27 -1.21 -0.19 0.00 -0.53 0.00 0.00 54.79 53.13 1c2n n ASP 23 Cb 0.94 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 41.31 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 0.14 -0.50 3.38 0.44 0.00 0.51 -4.94 105.19 104.20 1c2n n GLY 24 Ca 0.00 0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.95 3.35 0.03 2.61 2.01 -1.24 -4.90 115.64 114.56 1c2n s THR 25 Ca 0.13 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.29 1c2n s THR 25 Cb -0.06 -2.47 -0.08 0.00 0.01 0.00 0.00 72.50 69.91 1c2n s THR 25 CO 0.16 0.48 1.78 -1.61 -0.69 0.00 0.00 174.62 174.73 1c2n s GLU 26 N 0.77 4.17 -0.17 4.92 2.02 -1.26 -0.34 118.70 128.80 1c2n s GLU 26 Ca -0.03 2.41 -0.16 0.00 0.02 0.00 0.00 54.97 57.21 1c2n s GLU 26 Cb -0.15 -3.91 -0.05 0.00 0.10 0.00 0.00 34.13 30.12 1c2n s GLU 26 CO 0.02 -0.85 -0.32 -0.89 0.02 0.00 0.00 175.26 173.23 1c2n n ILE 27 N 5.24 1.46 -2.95 -1.63 2.08 -0.62 -4.56 119.36 118.38 1c2n n ILE 27 Ca 0.18 0.16 -0.44 0.00 0.56 0.00 0.00 62.75 63.21 1c2n n ILE 27 Cb 0.41 -2.34 0.00 0.00 -0.75 0.00 0.00 39.64 36.96 1c2n n ILE 27 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1c2n n VAL 28 N -4.45 4.42 -1.09 1.39 0.31 -0.17 -4.88 118.33 113.86 1c2n n VAL 28 Ca -0.13 -4.91 -0.43 0.00 -0.01 0.00 0.00 64.34 58.86 1c2n n VAL 28 Cb 0.48 -2.45 -0.07 0.00 -0.91 0.00 0.00 33.84 30.89 1c2n n VAL 28 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1c2n n LYS 29 N 4.40 1.24 0.00 5.55 4.81 -1.26 -2.17 118.16 130.72 1c2n n LYS 29 Ca 0.34 -1.73 0.00 0.00 -0.87 0.00 0.00 58.31 56.05 1c2n n LYS 29 Cb 0.40 -2.90 0.00 0.00 0.02 0.00 0.00 35.03 32.56 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 4.69 1.61 3.93 3.14 0.00 -1.26 -5.08 105.19 112.21 1c2n n GLY 30 Ca 0.49 -1.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.42 2.73 -0.22 4.61 0.00 -0.21 -4.84 121.76 121.41 1c2n s ALA 31 Ca 0.00 -1.04 0.11 0.00 0.00 0.00 0.00 51.96 51.03 1c2n s ALA 31 Cb 0.00 -2.70 0.43 0.00 0.00 0.00 0.00 23.12 20.85 1c2n s ALA 31 CO 0.00 -1.85 1.21 1.63 0.00 0.00 0.00 175.76 176.75 1c2n n LYS 32 N -3.34 2.05 -0.08 0.00 4.76 -1.19 -3.39 118.16 116.97 1c2n n LYS 32 Ca 0.11 -3.47 -0.10 0.00 -2.87 0.00 0.00 58.31 51.98 1c2n n LYS 32 Cb 0.60 -1.70 0.04 0.00 -1.84 0.00 0.00 35.03 32.14 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 1.86 1.28 -1.88 -0.18 2.02 -0.66 -3.45 112.91 111.90 1c2n h THR 33 Ca 0.08 -1.53 -0.56 0.00 0.77 0.00 0.00 66.41 65.17 1c2n h THR 33 Cb 1.22 1.41 -0.09 0.00 -1.74 0.00 0.00 68.15 68.95 1c2n h THR 33 CO 0.22 0.50 -0.57 -0.83 0.37 0.00 0.00 175.52 175.21 1c2n s GLY 34 N -3.92 2.02 0.42 2.16 0.00 -0.02 -5.00 107.32 102.98 1c2n s GLY 34 Ca -0.09 -1.90 -0.26 0.00 0.00 0.00 0.00 44.72 42.46 1c2n s GLY 34 CO 0.85 -1.83 1.44 -1.55 0.00 0.00 0.00 173.10 172.01 1c2n n PRO 35 N -1.07 2.38 -1.66 2.90 -0.04 -1.26 -4.56 135.00 131.69 1c2n n PRO 35 Ca -0.03 0.84 -0.42 0.00 -0.04 0.00 0.00 63.50 63.85 1c2n n PRO 35 Cb 0.62 -2.62 -0.03 0.00 -0.04 0.00 0.00 33.50 31.43 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 -0.35 6.38 -0.04 3.54 2.47 -1.26 -4.50 114.94 121.19 1c2n s ASN 36 Ca 0.58 2.64 0.05 0.00 0.42 0.00 0.00 52.86 56.55 1c2n s ASN 36 Cb -0.47 -2.53 0.22 0.00 -1.45 0.00 0.00 41.25 37.03 1c2n s ASN 36 CO 0.60 -1.11 0.99 0.18 -3.72 0.00 0.00 177.10 174.03 1c2n n LEU 37 N 7.81 1.90 -4.58 3.21 4.77 0.47 -4.71 117.00 125.87 1c2n n LEU 37 Ca 0.21 -0.96 -0.36 0.00 -0.03 0.00 0.00 56.01 54.86 1c2n n LEU 37 Cb 0.41 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1c2n n LEU 37 CO 0.68 0.33 1.76 -0.47 -1.33 0.00 0.00 177.39 178.36 1c2n s TYR 38 N -1.60 2.41 0.00 -1.77 5.04 -1.26 -3.36 117.35 116.81 1c2n s TYR 38 Ca 0.16 -0.70 0.00 0.00 -2.44 0.00 0.00 57.07 54.09 1c2n s TYR 38 Cb 0.10 -4.43 0.00 0.00 0.35 0.00 0.00 41.96 37.99 1c2n s TYR 38 CO 0.07 -1.55 0.00 0.41 -1.34 0.00 0.00 175.55 173.14 1c2n n GLY 39 N 5.62 0.95 0.09 8.97 0.00 -1.26 -4.93 105.19 114.63 1c2n n GLY 39 Ca 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.34 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 1.55 -1.49 1.61 2.07 -1.87 -3.40 116.25 114.72 1c2n h VAL 40 Ca 0.00 -1.81 -0.65 0.00 0.82 0.00 0.00 66.70 65.06 1c2n h VAL 40 Cb 0.00 2.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1c2n h VAL 40 CO 0.00 0.49 1.34 0.52 0.02 0.00 0.00 177.57 179.94 1c2n n VAL 41 N -4.60 0.31 0.00 2.57 0.31 -1.26 -0.28 118.33 115.38 1c2n n VAL 41 Ca -0.09 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1c2n n VAL 41 Cb 0.44 -1.86 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 5.81 2.10 3.77 2.92 0.00 0.40 -4.99 105.19 115.19 1c2n n GLY 42 Ca 0.34 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.89 4.34 -0.87 1.61 6.06 0.61 -4.43 118.95 125.37 1c2n s ARG 43 Ca 0.00 2.12 -0.22 0.00 -2.50 0.00 0.00 55.73 55.13 1c2n s ARG 43 Cb 0.00 -3.03 -0.14 0.00 0.06 0.00 0.00 34.95 31.84 1c2n s ARG 43 CO 0.00 -0.17 1.92 2.41 -2.50 0.00 0.00 175.30 176.96 1c2n n THR 44 N 0.73 1.83 -3.09 4.11 -1.04 -1.26 -0.69 114.28 114.87 1c2n n THR 44 Ca 0.00 -1.69 0.00 0.00 -2.04 0.00 0.00 64.05 60.33 1c2n n THR 44 Cb 0.43 -2.28 0.00 0.00 -1.82 0.00 0.00 70.33 66.66 1c2n n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1c2n n ALA 45 N 9.33 0.00 -2.10 2.41 0.00 -1.23 -3.70 120.51 125.21 1c2n n ALA 45 Ca 0.48 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.55 1c2n n ALA 45 Cb 0.42 0.00 -0.03 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 2.22 0.27 0.00 0.00 -1.25 -4.39 105.19 102.04 1c2n n GLY 46 Ca 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 46.02 44.87 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 6.71 0.30 -2.12 2.61 -2.24 -1.24 -4.53 114.28 113.76 1c2n n THR 47 Ca 0.48 -0.34 -0.40 0.00 -2.27 0.00 0.00 64.05 61.52 1c2n n THR 47 Cb 0.45 0.56 -0.01 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.42 2.96 0.81 4.78 5.04 -1.26 -4.96 117.35 124.30 1c2n s TYR 48 Ca 0.04 1.44 -0.14 0.00 -2.44 0.00 0.00 57.07 55.97 1c2n s TYR 48 Cb 0.03 -3.62 0.04 0.00 0.35 0.00 0.00 41.96 38.76 1c2n s TYR 48 CO 0.00 -1.85 0.89 -2.30 -1.34 0.00 0.00 175.55 170.96 1c2n n PRO 49 N 0.39 0.14 -3.75 4.97 -0.02 -1.26 -4.06 135.00 131.41 1c2n n PRO 49 Ca 0.02 0.11 -0.32 0.00 -2.02 0.00 0.00 63.50 61.30 1c2n n PRO 49 Cb 0.43 -2.18 0.03 0.00 -0.02 0.00 0.00 33.50 31.76 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 -2.34 -1.03 -3.65 -0.52 1.02 -1.26 -4.87 120.64 107.98 1c2n n GLU 50 Ca 0.12 0.50 -0.03 0.00 -0.02 0.00 0.00 57.16 57.73 1c2n n GLU 50 Cb 0.51 -3.53 -0.05 0.00 -0.02 0.00 0.00 31.44 28.34 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 -3.36 -1.23 -1.17 -0.32 5.36 -1.26 -4.94 117.98 111.06 1c2n s PHE 51 Ca 0.36 2.17 -0.22 0.00 -0.96 0.00 0.00 56.93 58.28 1c2n s PHE 51 Cb -0.15 0.70 -0.03 0.00 -0.34 0.00 0.00 43.02 43.20 1c2n s PHE 51 CO 0.89 -0.63 1.84 0.21 -1.46 0.00 0.00 175.22 176.07 1c2n s LYS 52 N 2.78 3.01 1.02 10.12 2.47 -1.26 -4.96 119.74 132.92 1c2n s LYS 52 Ca -0.05 -1.29 -0.12 0.00 -1.56 0.00 0.00 55.97 52.94 1c2n s LYS 52 Cb -0.12 -5.31 0.20 0.00 -1.46 0.00 0.00 37.83 31.14 1c2n s LYS 52 CO -0.18 -3.28 1.09 0.71 0.16 0.00 0.00 175.35 173.85 1c2n s TYR 53 N 8.50 2.02 0.59 4.03 2.02 -1.26 -5.08 117.35 128.18 1c2n s TYR 53 Ca 0.63 0.99 0.05 0.00 -0.37 0.00 0.00 57.07 58.37 1c2n s TYR 53 Cb -0.00 -3.25 0.08 0.00 -0.40 0.00 0.00 41.96 38.38 1c2n s TYR 53 CO 0.08 -3.01 0.81 0.15 -1.57 0.00 0.00 175.55 172.01 1c2n s LYS 54 N -4.93 2.24 0.26 -0.62 -0.14 -1.26 -5.02 119.74 110.27 1c2n s LYS 54 Ca 0.66 -1.29 0.00 0.00 -1.36 0.00 0.00 55.97 53.98 1c2n s LYS 54 Cb -0.19 -2.55 0.35 0.00 -1.68 0.00 0.00 37.83 33.76 1c2n s LYS 54 CO 0.58 -0.92 1.71 0.22 -0.76 0.00 0.00 175.35 176.19 1c2n h ASP 55 N 0.02 0.61 0.33 2.83 3.58 -1.97 -3.03 116.42 118.80 1c2n h ASP 55 Ca -0.35 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 56.89 1c2n h ASP 55 Cb 1.28 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1c2n h ASP 55 CO 0.43 0.80 -0.17 0.77 -2.88 0.00 0.00 179.24 178.19 1c2n h SER 56 N 0.55 -0.42 -0.84 2.28 4.64 -1.86 0.84 113.55 118.74 1c2n h SER 56 Ca 0.09 0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.48 1c2n h SER 56 Cb 0.63 0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 62.78 1c2n h SER 56 CO 0.04 -0.28 0.55 -0.29 -0.87 0.00 0.00 176.83 175.98 1c2n h ILE 57 N -0.47 1.09 -0.04 0.95 2.10 -1.84 0.11 117.51 119.41 1c2n h ILE 57 Ca -0.05 -0.34 -0.00 0.00 1.08 0.00 0.00 64.86 65.55 1c2n h ILE 57 Cb 0.36 0.02 -0.00 0.00 -1.09 0.00 0.00 36.82 36.11 1c2n h ILE 57 CO 0.07 0.18 0.01 0.58 -1.08 0.00 0.00 178.15 177.91 1c2n h VAL 58 N 0.98 1.17 -0.96 2.19 2.07 -1.49 -1.28 116.25 118.94 1c2n h VAL 58 Ca 0.35 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.38 1c2n h VAL 58 Cb 0.13 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1c2n h VAL 58 CO -0.12 0.14 0.63 0.00 0.02 0.00 0.00 177.57 178.24 1c2n h ALA 59 N 0.81 1.23 -0.34 1.67 0.00 -0.02 0.68 119.26 123.29 1c2n h ALA 59 Ca 0.01 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1c2n h ALA 59 Cb 0.21 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1c2n h ALA 59 CO -0.00 0.57 0.16 1.25 0.00 0.00 0.00 179.25 181.24 1c2n h LEU 60 N 1.27 0.24 0.31 0.00 7.12 -0.57 0.12 115.31 123.79 1c2n h LEU 60 Ca 0.36 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.39 1c2n h LEU 60 Cb -0.10 -0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 39.98 1c2n h LEU 60 CO -0.09 0.18 -0.36 1.23 -0.13 0.00 0.00 178.44 179.27 1c2n h GLY 61 N 0.34 -0.81 0.69 3.75 0.00 -0.41 -2.59 103.07 104.03 1c2n h GLY 61 Ca 0.14 0.42 0.17 0.00 0.00 0.00 0.00 47.33 48.06 1c2n h GLY 61 CO -0.10 -0.29 0.49 0.00 0.00 0.00 0.00 176.54 176.63 1c2n h ALA 62 N -0.23 2.31 0.00 3.60 0.00 -0.31 0.13 119.26 124.77 1c2n h ALA 62 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1c2n h ALA 62 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1c2n h ALA 62 CO -0.10 -0.51 0.00 -1.13 0.00 0.00 0.00 179.25 177.52 1c2n n SER 63 N -4.43 0.40 0.00 0.00 3.41 0.35 -4.79 113.62 108.56 1c2n n SER 63 Ca 0.14 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.37 1c2n n SER 63 Cb 0.61 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 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 -0.45 1.66 3.87 5.00 0.00 0.33 -5.12 105.19 110.48 1c2n n GLY 64 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 3.60 -0.04 1.61 2.19 -0.42 -5.05 117.98 117.87 1c2n s PHE 65 Ca 0.00 0.70 0.01 0.00 0.33 0.00 0.00 56.93 57.96 1c2n s PHE 65 Cb 0.00 -2.08 0.02 0.00 -1.31 0.00 0.00 43.02 39.65 1c2n s PHE 65 CO 0.00 0.60 -0.03 0.00 1.83 0.00 0.00 175.22 177.62 1c2n s ALA 66 N -1.27 0.58 -0.53 11.12 0.00 -1.26 -3.56 121.76 126.84 1c2n s ALA 66 Ca 0.27 -0.00 -0.26 0.00 0.00 0.00 0.00 51.96 51.97 1c2n s ALA 66 Cb -0.14 -0.43 -0.07 0.00 0.00 0.00 0.00 23.12 22.48 1c2n s ALA 66 CO 0.15 -0.08 2.36 -1.58 0.00 0.00 0.00 175.76 176.61 1c2n s TRP 67 N 1.06 1.13 0.71 0.00 0.23 0.13 -4.85 118.94 117.34 1c2n s TRP 67 Ca -0.09 1.54 -0.09 0.00 -2.03 0.00 0.00 56.10 55.43 1c2n s TRP 67 Cb -0.14 -3.61 0.05 0.00 0.03 0.00 0.00 33.47 29.79 1c2n s TRP 67 CO -0.01 -2.44 1.05 0.95 0.96 0.00 0.00 176.95 177.46 1c2n s THR 68 N 12.16 2.73 0.32 2.01 -4.23 -1.26 -0.46 115.64 126.91 1c2n s THR 68 Ca 0.95 -0.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.47 1c2n s THR 68 Cb -0.16 -3.19 0.28 0.00 1.34 0.00 0.00 72.50 70.77 1c2n s THR 68 CO 0.24 -0.22 1.94 1.05 -0.54 0.00 0.00 174.62 177.09 1c2n h GLU 69 N -0.64 0.94 -0.03 3.99 4.11 -1.93 -0.06 114.58 120.97 1c2n h GLU 69 Ca -0.45 -0.06 -0.00 0.00 0.07 0.00 0.00 59.36 58.92 1c2n h GLU 69 Cb 1.30 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1c2n h GLU 69 CO 0.62 0.62 0.01 0.93 0.07 0.00 0.00 179.01 181.27 1c2n h GLU 70 N 0.97 0.05 0.08 1.06 4.39 -1.96 0.10 114.58 119.28 1c2n h GLU 70 Ca 0.34 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 60.05 1c2n h GLU 70 Cb 0.12 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1c2n h GLU 70 CO -0.11 0.25 -0.17 -0.44 -1.16 0.00 0.00 179.01 177.39 1c2n h ASP 71 N -0.16 -0.47 0.03 1.42 3.32 -1.72 0.26 116.42 119.09 1c2n h ASP 71 Ca 0.01 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1c2n h ASP 71 Cb 0.23 0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 1c2n h ASP 71 CO -0.00 -0.24 -0.22 0.40 -1.72 0.00 0.00 179.24 177.46 1c2n h ILE 72 N -0.32 0.49 -0.64 0.35 2.04 -0.91 0.66 117.51 119.19 1c2n h ILE 72 Ca 0.03 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.01 1c2n h ILE 72 Cb 0.34 0.49 -0.09 0.00 -0.74 0.00 0.00 36.82 36.82 1c2n h ILE 72 CO -0.10 0.00 0.16 0.00 0.00 0.00 0.00 178.15 178.21 1c2n h ALA 73 N 0.48 0.79 0.33 1.87 0.00 -0.55 0.12 119.26 122.30 1c2n h ALA 73 Ca 0.05 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1c2n h ALA 73 Cb 0.43 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1c2n h ALA 73 CO -0.18 -0.29 -0.16 1.15 0.00 0.00 0.00 179.25 179.77 1c2n h THR 74 N 0.29 0.65 -0.84 0.00 2.02 -0.47 -3.28 112.91 111.29 1c2n h THR 74 Ca 0.34 -0.58 0.15 0.00 0.77 0.00 0.00 66.41 67.09 1c2n h THR 74 Cb 0.51 0.93 -0.10 0.00 -1.74 0.00 0.00 68.15 67.75 1c2n h THR 74 CO -0.41 0.11 0.41 0.22 0.37 0.00 0.00 175.52 176.22 1c2n h TYR 75 N -0.79 0.72 -0.67 3.16 3.20 -0.36 0.13 116.97 122.36 1c2n h TYR 75 Ca -0.05 0.03 0.17 0.00 3.14 0.00 0.00 58.73 62.03 1c2n h TYR 75 Cb 0.51 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 1c2n h TYR 75 CO 0.02 0.15 0.47 0.28 -1.64 0.00 0.00 178.16 177.44 1c2n h VAL 76 N 0.58 0.73 -0.49 1.81 2.07 -1.04 0.14 116.25 120.05 1c2n h VAL 76 Ca 0.46 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.93 1c2n h VAL 76 Cb 0.68 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1c2n h VAL 76 CO -0.38 0.03 0.00 0.29 0.02 0.00 0.00 177.57 177.53 1c2n n LYS 77 N -4.40 3.27 -2.69 1.57 5.02 0.36 -1.63 118.16 119.65 1c2n n LYS 77 Ca 0.13 -2.63 -0.06 0.00 -2.02 0.00 0.00 58.31 53.73 1c2n n LYS 77 Cb 0.63 -1.68 0.11 0.00 -0.02 0.00 0.00 35.03 34.07 1c2n n LYS 77 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1c2n n ASP 78 N 0.65 -1.82 -4.70 4.39 2.03 0.37 -4.93 116.55 112.55 1c2n n ASP 78 Ca 0.21 -2.38 -0.43 0.00 0.52 0.00 0.00 54.79 52.70 1c2n n ASP 78 Cb 0.74 0.99 -0.02 0.00 -0.72 0.00 0.00 41.12 42.11 1c2n n ASP 78 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1c2n n PRO 79 N -0.67 2.22 0.00 -0.67 -0.04 -0.48 -1.27 135.00 134.09 1c2n n PRO 79 Ca -0.06 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 1c2n n PRO 79 Cb 0.84 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 1c2n n PRO 79 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1c2n n GLY 80 N 1.82 1.03 0.37 0.55 0.00 -1.26 -4.52 105.19 103.18 1c2n n GLY 80 Ca 0.09 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.18 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 1.64 -0.42 4.61 0.00 -1.79 0.15 119.26 123.45 1c2n h ALA 81 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1c2n h ALA 81 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1c2n h ALA 81 CO 0.00 0.15 0.16 0.35 0.00 0.00 0.00 179.25 179.90 1c2n h PHE 82 N 0.89 0.64 0.46 0.00 3.57 -1.42 0.58 116.94 121.66 1c2n h PHE 82 Ca 0.45 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.87 1c2n h PHE 82 Cb 0.50 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1c2n h PHE 82 CO -0.00 0.57 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.36 1c2n h LEU 83 N 0.53 -0.52 -0.67 0.59 3.38 -1.39 -0.83 115.31 116.39 1c2n h LEU 83 Ca 0.14 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.24 1c2n h LEU 83 Cb 0.21 0.13 -0.12 0.00 0.09 0.00 0.00 40.66 40.98 1c2n h LEU 83 CO -0.01 -0.34 -0.04 0.11 0.09 0.00 0.00 178.44 178.26 1c2n h LYS 84 N -0.66 0.08 0.15 1.13 1.57 -0.49 0.20 116.57 118.54 1c2n h LYS 84 Ca -0.06 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1c2n h LYS 84 Cb 0.50 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1c2n h LYS 84 CO 0.10 0.05 -0.07 1.49 -0.57 0.00 0.00 179.45 180.45 1c2n h GLU 85 N 0.08 -0.20 -0.65 3.15 4.81 -0.73 -0.11 114.58 120.94 1c2n h GLU 85 Ca 0.35 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.58 1c2n h GLU 85 Cb 0.58 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 1c2n h GLU 85 CO -0.61 -0.13 0.36 0.87 -0.73 0.00 0.00 179.01 178.77 1c2n h LYS 86 N -0.21 0.90 -0.01 1.92 1.57 -0.85 -0.61 116.57 119.28 1c2n h LYS 86 Ca -0.02 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1c2n h LYS 86 Cb 0.16 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1c2n h LYS 86 CO 0.03 0.66 -0.11 -0.11 -0.57 0.00 0.00 179.45 179.36 1c2n n LEU 87 N -4.38 0.66 -4.05 2.94 7.94 0.66 -4.95 117.00 115.83 1c2n n LEU 87 Ca 0.06 -0.11 -0.34 0.00 -1.11 0.00 0.00 56.01 54.52 1c2n n LEU 87 Cb 0.10 -0.13 -0.02 0.00 0.53 0.00 0.00 43.42 43.90 1c2n n LEU 87 CO 0.37 0.12 -0.26 -0.67 -1.11 0.00 0.00 177.39 175.84 1c2n n ASP 88 N -0.75 -1.74 -3.65 1.96 2.03 -0.21 -4.97 116.55 109.22 1c2n n ASP 88 Ca 0.16 -1.16 -0.15 0.00 0.52 0.00 0.00 54.79 54.16 1c2n n ASP 88 Cb 0.28 -2.33 -0.14 0.00 -0.72 0.00 0.00 41.12 38.22 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 -4.01 0.52 0.46 1.67 2.15 -0.27 -5.03 116.67 112.16 1c2n s ASP 89 Ca 0.21 0.47 0.13 0.00 0.43 0.00 0.00 52.55 53.79 1c2n s ASP 89 Cb -0.10 0.58 1.08 0.00 -0.30 0.00 0.00 42.92 44.18 1c2n s ASP 89 CO 0.94 -0.25 2.07 0.50 -0.17 0.00 0.00 175.17 178.26 1c2n h LYS 90 N 8.31 0.28 -0.01 4.34 3.64 -1.93 -1.03 116.57 130.17 1c2n h LYS 90 Ca -0.14 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1c2n h LYS 90 Cb 1.12 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1c2n h LYS 90 CO 0.15 0.19 0.00 1.63 -2.27 0.00 0.00 179.45 179.14 1c2n n LYS 91 N -4.49 1.04 -1.62 1.90 5.02 -1.26 -4.53 118.16 114.22 1c2n n LYS 91 Ca 0.03 -0.06 -0.41 0.00 -2.02 0.00 0.00 58.31 55.85 1c2n n LYS 91 Cb 0.17 -1.26 -0.01 0.00 -0.02 0.00 0.00 35.03 33.91 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 -0.70 6.45 -2.46 7.82 0.00 -0.39 -4.77 120.51 126.46 1c2n n ALA 92 Ca 0.12 -3.78 -0.38 0.00 0.00 0.00 0.00 53.44 49.40 1c2n n ALA 92 Cb 0.07 -3.38 -0.06 0.00 0.00 0.00 0.00 19.45 16.08 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 2.28 4.19 0.38 0.00 2.20 -1.26 -3.88 119.74 123.65 1c2n s LYS 93 Ca 0.56 0.61 -0.09 0.00 -0.36 0.00 0.00 55.97 56.70 1c2n s LYS 93 Cb 0.16 -3.30 -0.06 0.00 -1.51 0.00 0.00 37.83 33.12 1c2n s LYS 93 CO -0.07 0.49 0.71 -0.08 -0.36 0.00 0.00 175.35 176.04 1c2n s THR 94 N -0.54 4.86 0.36 3.43 -1.32 -1.26 -4.68 115.64 116.48 1c2n s THR 94 Ca 0.28 0.44 0.25 0.00 -1.21 0.00 0.00 61.69 61.44 1c2n s THR 94 Cb -0.18 -3.74 0.26 0.00 -1.51 0.00 0.00 72.50 67.33 1c2n s THR 94 CO 0.16 -0.49 2.00 1.23 -2.21 0.00 0.00 174.62 175.30 1c2n h GLY 95 N 1.29 0.00 -7.29 6.08 0.00 -2.00 -3.40 103.07 97.76 1c2n h GLY 95 Ca -0.47 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.68 1c2n h GLY 95 CO 0.64 0.00 0.55 -0.29 0.00 0.00 0.00 176.54 177.44 1c2n s MET 96 N -4.10 1.93 -1.34 4.80 -2.45 -1.26 -4.81 119.30 112.07 1c2n s MET 96 Ca -0.02 -0.61 -0.09 0.00 -1.25 0.00 0.00 55.69 53.72 1c2n s MET 96 Cb 0.13 -5.08 -0.11 0.00 1.25 0.00 0.00 34.83 31.03 1c2n s MET 96 CO 0.61 -4.51 3.04 0.00 1.05 0.00 0.00 175.02 175.21 1c2n n ALA 97 N 16.73 7.34 -3.58 4.11 0.00 -1.26 -4.71 120.51 139.14 1c2n n ALA 97 Ca 0.43 -3.28 -0.14 0.00 0.00 0.00 0.00 53.44 50.45 1c2n n ALA 97 Cb 0.46 -3.16 -0.06 0.00 0.00 0.00 0.00 19.45 16.69 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 1.75 -0.58 0.04 0.00 5.36 -1.26 -5.19 117.98 118.10 1c2n s PHE 98 Ca 0.69 1.19 -0.02 0.00 -0.96 0.00 0.00 56.93 57.83 1c2n s PHE 98 Cb 0.20 0.38 -0.03 0.00 -0.34 0.00 0.00 43.02 43.24 1c2n s PHE 98 CO -0.05 -0.42 -0.00 0.15 -1.46 0.00 0.00 175.22 173.43 1c2n s LYS 99 N -0.56 0.49 -0.25 10.12 1.02 -1.26 -4.74 119.74 124.57 1c2n s LYS 99 Ca -0.04 -0.89 0.01 0.00 0.02 0.00 0.00 55.97 55.08 1c2n s LYS 99 Cb -0.02 0.18 0.06 0.00 -0.52 0.00 0.00 37.83 37.53 1c2n s LYS 99 CO 0.03 -0.10 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.13 1c2n s LEU 100 N -2.20 2.89 0.00 3.17 2.96 -0.65 -5.02 118.68 119.83 1c2n s LEU 100 Ca -0.04 -1.28 -0.04 0.00 -0.22 0.00 0.00 54.13 52.55 1c2n s LEU 100 Cb -0.01 -1.30 -0.18 0.00 0.50 0.00 0.00 46.19 45.21 1c2n s LEU 100 CO -0.05 -0.23 3.01 0.00 -1.32 0.00 0.00 176.35 177.76 1c2n n ALA 101 N 4.59 5.46 0.00 5.97 0.00 -1.26 -3.85 120.51 131.42 1c2n n ALA 101 Ca -0.12 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.13 1c2n n ALA 101 Cb 0.43 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 2.19 -0.69 0.00 0.00 2.85 -1.26 -5.06 118.16 116.19 1c2n n LYS 102 Ca 0.28 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.54 1c2n n LYS 102 Cb 0.76 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.14 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 0.00 1.31 0.00 2.58 0.00 -1.26 -4.77 105.19 103.05 1c2n n GLY 103 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.40 -0.02 0.00 -1.26 0.04 105.19 104.35 1c2n n GLY 104 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.87 -0.34 1.61 9.09 -1.88 0.19 114.58 122.38 1c2n h GLU 105 Ca 0.00 0.06 -0.07 0.00 0.05 0.00 0.00 59.36 59.39 1c2n h GLU 105 Cb 0.00 0.20 -0.02 0.00 -1.65 0.00 0.00 28.75 27.28 1c2n h GLU 105 CO 0.00 -0.58 -0.10 0.38 0.05 0.00 0.00 179.01 178.76 1c2n h ASP 106 N -0.90 0.56 -0.22 3.06 3.04 -0.69 -0.01 116.42 121.25 1c2n h ASP 106 Ca -0.07 -0.15 -0.03 0.00 -3.24 0.00 0.00 57.03 53.54 1c2n h ASP 106 Cb 0.74 -0.15 -0.01 0.00 -1.04 0.00 0.00 39.33 38.87 1c2n h ASP 106 CO 0.07 0.70 0.01 0.58 -2.04 0.00 0.00 179.24 178.56 1c2n h VAL 107 N 0.53 1.25 -0.43 4.15 2.07 -0.86 0.12 116.25 123.07 1c2n h VAL 107 Ca 0.10 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1c2n h VAL 107 Cb 0.50 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1c2n h VAL 107 CO 0.03 0.26 0.25 0.00 0.02 0.00 0.00 177.57 178.13 1c2n h ALA 108 N 0.81 0.55 -0.70 1.67 0.00 -0.40 0.49 119.26 121.69 1c2n h ALA 108 Ca 0.06 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1c2n h ALA 108 Cb 0.38 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1c2n h ALA 108 CO 0.01 0.06 0.42 0.00 0.00 0.00 0.00 179.25 179.74 1c2n h ALA 109 N 1.10 0.92 0.10 0.00 0.00 -0.76 0.62 119.26 121.24 1c2n h ALA 109 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1c2n h ALA 109 Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1c2n h ALA 109 CO -0.03 0.16 -0.08 -0.92 0.00 0.00 0.00 179.25 178.38 1c2n h TYR 110 N 0.80 -0.21 -0.89 0.00 3.20 -0.21 0.46 116.97 120.12 1c2n h TYR 110 Ca 0.29 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.25 1c2n h TYR 110 Cb 0.08 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.37 1c2n h TYR 110 CO -0.05 -0.13 0.58 -0.07 -1.64 0.00 0.00 178.16 176.85 1c2n h LEU 111 N -0.19 0.83 0.20 2.82 3.38 -0.22 0.20 115.31 122.33 1c2n h LEU 111 Ca -0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1c2n h LEU 111 Cb 0.18 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1c2n h LEU 111 CO -0.01 0.50 -0.10 0.00 0.09 0.00 0.00 178.44 178.93 1c2n h ALA 112 N 1.54 -0.27 -0.80 1.53 0.00 -0.54 -3.11 119.26 117.60 1c2n h ALA 112 Ca 0.40 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.34 1c2n h ALA 112 Cb 0.34 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1c2n h ALA 112 CO -0.17 -0.56 0.53 0.77 0.00 0.00 0.00 179.25 179.83 1c2n h SER 113 N -0.46 0.44 -0.02 0.00 0.02 0.65 -0.25 113.55 113.93 1c2n h SER 113 Ca -0.03 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1c2n h SER 113 Cb 0.35 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1c2n h SER 113 CO 0.05 0.22 -0.01 0.58 -1.14 0.00 0.00 176.83 176.53 1c2n h VAL 114 N 0.46 1.06 -0.50 2.27 2.07 -0.60 -3.39 116.25 117.62 1c2n h VAL 114 Ca 0.40 -0.23 -0.30 0.00 0.82 0.00 0.00 66.70 67.39 1c2n h VAL 114 Cb 0.88 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 1c2n h VAL 114 CO -0.14 0.07 0.91 -0.69 0.02 0.00 0.00 177.57 177.74 1c2n s VAL 115 N -5.02 3.48 0.00 2.57 1.01 -0.11 -4.96 120.40 117.38 1c2n s VAL 115 Ca -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1c2n s VAL 115 Cb 0.17 -4.37 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1c2n s VAL 115 CO 0.69 -0.91 0.00 2.29 0.00 0.00 0.00 175.10 177.17