#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n n LYS 3 N 0.00 0.00 -0.26 -0.67 2.85 -1.26 -4.85 118.16 113.97 3i1n n LYS 3 Ca 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.20 3i1n n LYS 3 Cb 0.00 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.43 3i1n n LYS 3 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 3i1n h LYS 4 N 0.00 1.01 0.24 -1.58 1.63 -2.05 -1.99 116.57 113.84 3i1n h LYS 4 Ca 0.00 -0.15 -0.01 0.00 -0.85 0.00 0.00 60.65 59.64 3i1n h LYS 4 Cb 0.00 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.45 3i1n h LYS 4 CO 0.00 0.79 -0.12 0.77 -3.45 0.00 0.00 179.45 177.45 3i1n h SER 5 N 0.98 -0.28 -0.98 4.20 0.02 -2.00 -1.79 113.55 113.70 3i1n h SER 5 Ca 0.24 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 3i1n h SER 5 Cb 0.11 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 3i1n h SER 5 CO -0.03 -0.16 0.65 0.00 -1.14 0.00 0.00 176.83 176.14 3i1n h ALA 6 N 0.38 1.33 -0.60 3.77 0.00 -1.90 -1.16 119.26 121.09 3i1n h ALA 6 Ca -0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3i1n h ALA 6 Cb 0.28 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3i1n h ALA 6 CO 0.05 0.59 0.20 -0.09 0.00 0.00 0.00 179.25 180.00 3i1n h ARG 7 N 1.28 0.89 0.19 0.00 2.43 -1.05 -1.01 114.38 117.12 3i1n h ARG 7 Ca 0.38 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 3i1n h ARG 7 Cb -0.06 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 3i1n h ARG 7 CO -0.10 0.76 -0.09 0.82 -1.51 0.00 0.00 179.97 179.85 3i1n h ILE 8 N 0.87 0.90 0.00 1.20 2.04 -0.37 -2.19 117.51 119.96 3i1n h ILE 8 Ca 0.20 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 3i1n h ILE 8 Cb 0.24 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3i1n h ILE 8 CO -0.01 0.18 -0.02 0.08 0.00 0.00 0.00 178.15 178.37 3i1n h ARG 9 N -0.69 0.00 0.00 2.37 -0.00 -1.27 1.66 114.38 116.45 3i1n h ARG 9 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.95 3i1n h ARG 9 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.46 3i1n h ARG 9 CO 0.04 0.02 0.00 -0.09 -0.00 0.00 0.00 179.97 179.95 3i1n h ARG 10 N 0.00 0.00 -0.00 0.08 2.43 -0.81 -2.98 114.38 113.10 3i1n h ARG 10 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i1n h ARG 10 Cb 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3i1n h ARG 10 CO 0.00 0.00 -0.62 0.00 -1.51 0.00 0.00 179.97 177.84 3i1n n ALA 11 N -2.05 3.75 -0.05 2.80 0.00 0.55 -4.65 120.51 120.85 3i1n n ALA 11 Ca 0.01 -0.42 -0.12 0.00 0.00 0.00 0.00 53.44 52.91 3i1n n ALA 11 Cb 0.30 -0.52 -0.07 0.00 0.00 0.00 0.00 19.45 19.16 3i1n n ALA 11 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3i1n h THR 12 N 0.24 1.30 0.50 0.00 2.02 -0.89 -2.82 112.91 113.26 3i1n h THR 12 Ca 0.00 -1.04 -0.02 0.00 0.77 0.00 0.00 66.41 66.12 3i1n h THR 12 Cb 0.36 1.69 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 3i1n h THR 12 CO 0.00 0.30 -0.27 -0.09 0.37 0.00 0.00 175.52 175.83 3i1n h ARG 13 N -0.03 -0.69 -0.71 6.66 2.43 -1.84 -2.09 114.38 118.11 3i1n h ARG 13 Ca 0.03 0.05 0.16 0.00 -0.81 0.00 0.00 59.98 59.41 3i1n h ARG 13 Cb 0.49 0.16 -0.12 0.00 -0.42 0.00 0.00 29.97 30.08 3i1n h ARG 13 CO 0.02 -0.46 0.06 0.00 -1.51 0.00 0.00 179.97 178.07 3i1n h ALA 14 N -0.24 0.79 0.00 2.80 0.00 -1.87 0.57 119.26 121.32 3i1n h ALA 14 Ca -0.06 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3i1n h ALA 14 Cb 0.57 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3i1n h ALA 14 CO 0.08 -0.39 -0.19 0.00 0.00 0.00 0.00 179.25 178.75 3i1n h ARG 15 N 0.15 0.00 0.10 0.00 3.08 -1.22 -1.97 114.38 114.52 3i1n h ARG 15 Ca 0.39 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.27 3i1n h ARG 15 Cb 0.67 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.74 3i1n h ARG 15 CO -0.58 0.19 -0.73 -0.09 -1.07 0.00 0.00 179.97 177.69 3i1n h ARG 16 N 0.00 0.32 0.00 0.04 9.65 -0.25 -1.07 114.38 123.07 3i1n h ARG 16 Ca -0.00 -0.47 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 3i1n h ARG 16 Cb 0.35 0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 3i1n h ARG 16 CO 0.02 1.19 0.00 1.17 2.80 0.00 0.00 179.97 185.16 3i1n n LYS 17 N -4.17 0.17 -0.01 0.20 0.00 -0.44 -1.04 118.16 112.87 3i1n n LYS 17 Ca -0.13 0.48 -0.13 0.00 0.00 0.00 0.00 58.31 58.54 3i1n n LYS 17 Cb 0.77 -1.88 -0.14 0.00 0.00 0.00 0.00 35.03 33.78 3i1n n LYS 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3i1n h LEU 18 N 0.00 0.15 0.10 3.14 5.85 -1.28 -2.93 115.31 120.34 3i1n h LEU 18 Ca 0.00 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 3i1n h LEU 18 Cb 0.25 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3i1n h LEU 18 CO 0.00 1.28 -0.05 -0.61 -0.34 0.00 0.00 178.44 178.73 3i1n h GLN 19 N 0.03 -0.12 -0.83 1.25 4.15 0.20 -2.46 115.11 117.32 3i1n h GLN 19 Ca -0.32 0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.25 3i1n h GLN 19 Cb 2.02 0.03 -0.09 0.00 0.21 0.00 0.00 27.48 29.64 3i1n h GLN 19 CO 0.09 0.24 0.41 1.49 -1.93 0.00 0.00 178.83 179.13 3i1n h GLU 20 N -0.50 0.59 0.00 1.69 4.81 -1.23 0.51 114.58 120.44 3i1n h GLU 20 Ca -0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3i1n h GLU 20 Cb 0.42 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3i1n h GLU 20 CO 0.02 0.39 0.00 -0.07 -0.73 0.00 0.00 179.01 178.62 3i1n h LEU 21 N 0.60 0.00 -2.27 1.64 3.38 -1.45 -3.48 115.31 113.73 3i1n h LEU 21 Ca 0.45 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.42 3i1n h LEU 21 Cb 0.62 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.26 3i1n h LEU 21 CO -0.36 0.00 -1.26 0.61 0.09 0.00 0.00 178.44 177.53 3i1n n GLY 22 N -0.08 -4.11 3.60 0.83 0.00 0.18 -5.06 105.19 100.55 3i1n n GLY 22 Ca 0.01 1.42 -0.10 0.00 0.00 0.00 0.00 46.02 47.35 3i1n n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1n s ALA 23 N -0.54 -1.75 0.10 4.61 0.00 -1.25 -5.05 121.76 117.87 3i1n s ALA 23 Ca -0.22 2.17 -0.31 0.00 0.00 0.00 0.00 51.96 53.59 3i1n s ALA 23 Cb 0.01 -1.27 -0.11 0.00 0.00 0.00 0.00 23.12 21.76 3i1n s ALA 23 CO 0.62 -0.35 1.86 0.25 0.00 0.00 0.00 175.76 178.14 3i1n n THR 24 N 3.62 0.44 -4.33 0.00 -2.24 -1.26 -4.31 114.28 106.20 3i1n n THR 24 Ca -0.18 -0.08 -0.30 0.00 -2.27 0.00 0.00 64.05 61.22 3i1n n THR 24 Cb 0.57 -2.13 -0.10 0.00 -2.10 0.00 0.00 70.33 66.57 3i1n n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i1n s ARG 25 N 3.07 2.23 -0.44 -0.78 1.70 -0.88 -2.46 118.95 121.39 3i1n s ARG 25 Ca 0.84 -0.94 -0.16 0.00 -0.47 0.00 0.00 55.73 54.99 3i1n s ARG 25 Cb -0.49 -2.34 0.04 0.00 -0.57 0.00 0.00 34.95 31.58 3i1n s ARG 25 CO 0.39 0.53 0.40 -1.17 -1.08 0.00 0.00 175.30 174.37 3i1n s LEU 26 N -1.93 5.13 -0.31 -1.89 2.96 0.11 -0.60 118.68 122.15 3i1n s LEU 26 Ca 0.20 -0.92 -0.09 0.00 -0.22 0.00 0.00 54.13 53.09 3i1n s LEU 26 Cb -0.11 -2.27 -0.01 0.00 0.50 0.00 0.00 46.19 44.30 3i1n s LEU 26 CO 0.11 -0.58 0.14 -0.69 -1.32 0.00 0.00 176.35 174.01 3i1n s VAL 27 N 1.92 4.54 0.05 1.68 1.01 0.27 -0.73 120.40 129.13 3i1n s VAL 27 Ca 0.08 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 3i1n s VAL 27 Cb -0.20 -3.31 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 3i1n s VAL 27 CO 0.11 0.08 0.40 0.54 0.00 0.00 0.00 175.10 176.22 3i1n s VAL 28 N 1.60 5.08 -0.03 2.92 0.11 -1.10 -0.88 120.40 128.10 3i1n s VAL 28 Ca 0.04 0.58 0.03 0.00 -2.93 0.00 0.00 61.98 59.70 3i1n s VAL 28 Cb -0.17 -3.66 0.00 0.00 -1.53 0.00 0.00 36.38 31.02 3i1n s VAL 28 CO 0.06 0.40 -0.11 -2.28 -3.33 0.00 0.00 175.10 169.84 3i1n s HIS 29 N -1.28 1.15 0.30 1.54 2.46 0.11 -4.45 115.29 115.12 3i1n s HIS 29 Ca 0.29 -0.31 0.09 0.00 0.47 0.00 0.00 55.06 55.61 3i1n s HIS 29 Cb -0.15 -0.81 -0.04 0.00 -0.13 0.00 0.00 32.58 31.45 3i1n s HIS 29 CO 0.16 -0.12 0.04 0.50 -2.47 0.00 0.00 174.74 172.85 3i1n s ARG 30 N 0.18 2.27 0.11 2.88 3.52 -1.26 -0.05 118.95 126.60 3i1n s ARG 30 Ca -0.04 -1.52 -0.20 0.00 -0.13 0.00 0.00 55.73 53.84 3i1n s ARG 30 Cb -0.10 -2.12 0.05 0.00 -1.56 0.00 0.00 34.95 31.23 3i1n s ARG 30 CO 0.01 0.24 0.50 -0.08 -0.81 0.00 0.00 175.30 175.16 3i1n s THR 31 N -2.39 0.04 0.32 4.11 -1.32 0.08 -4.97 115.64 111.50 3i1n s THR 31 Ca 0.34 -0.30 0.02 0.00 -1.21 0.00 0.00 61.69 60.54 3i1n s THR 31 Cb -0.04 -1.06 0.28 0.00 -1.51 0.00 0.00 72.50 70.18 3i1n s THR 31 CO 0.21 -0.16 1.92 -0.65 -2.21 0.00 0.00 174.62 173.73 3i1n h PRO 32 N 2.39 0.94 0.00 7.08 0.11 -1.99 -3.20 132.00 137.33 3i1n h PRO 32 Ca -0.33 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 65.57 3i1n h PRO 32 Cb 1.26 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3i1n h PRO 32 CO 0.42 0.62 -1.91 -2.13 -0.21 0.00 0.00 178.00 174.79 3i1n n ARG 33 N -4.48 0.66 -4.03 1.05 0.63 -1.26 -4.72 116.66 104.51 3i1n n ARG 33 Ca 0.13 -0.02 -0.07 0.00 -0.92 0.00 0.00 57.85 56.96 3i1n n ARG 33 Cb 0.20 -1.61 -0.09 0.00 0.45 0.00 0.00 32.46 31.41 3i1n n ARG 33 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3i1n s HIS 34 N -3.05 0.42 0.05 -0.14 3.76 -1.21 -3.34 115.29 111.78 3i1n s HIS 34 Ca -0.07 -0.94 0.05 0.00 -0.15 0.00 0.00 55.06 53.95 3i1n s HIS 34 Cb 0.10 -0.30 -0.02 0.00 1.11 0.00 0.00 32.58 33.46 3i1n s HIS 34 CO 0.85 -0.42 -0.14 -1.50 -0.85 0.00 0.00 174.74 172.69 3i1n s ILE 35 N -3.89 1.06 0.07 0.60 2.07 -1.26 -0.74 121.20 119.10 3i1n s ILE 35 Ca 0.06 -1.10 0.05 0.00 -1.41 0.00 0.00 60.65 58.25 3i1n s ILE 35 Cb 0.07 -0.99 -0.03 0.00 0.13 0.00 0.00 42.46 41.64 3i1n s ILE 35 CO -0.10 -0.10 -0.13 -0.31 -1.91 0.00 0.00 174.94 172.38 3i1n s TYR 36 N -1.02 1.16 -0.02 3.50 4.12 0.93 -2.25 117.35 123.77 3i1n s TYR 36 Ca -0.00 -0.45 0.01 0.00 0.02 0.00 0.00 57.07 56.64 3i1n s TYR 36 Cb -0.09 -0.66 0.01 0.00 -1.52 0.00 0.00 41.96 39.71 3i1n s TYR 36 CO 0.02 0.04 -0.01 0.00 0.02 0.00 0.00 175.55 175.62 3i1n s ALA 37 N -1.24 0.26 -0.02 3.71 0.00 -0.43 -0.71 121.76 123.32 3i1n s ALA 37 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.98 3i1n s ALA 37 Cb -0.10 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.86 3i1n s ALA 37 CO 0.02 -0.01 0.02 1.14 0.00 0.00 0.00 175.76 176.93 3i1n s GLN 38 N 0.51 0.08 -0.31 0.00 -2.07 -0.06 -0.95 119.66 116.87 3i1n s GLN 38 Ca -0.05 0.16 -0.22 0.00 -1.82 0.00 0.00 55.36 53.44 3i1n s GLN 38 Cb -0.08 -0.35 -0.00 0.00 -1.09 0.00 0.00 33.01 31.49 3i1n s GLN 38 CO -0.01 -0.17 0.70 0.08 -1.32 0.00 0.00 175.29 174.57 3i1n s VAL 39 N 1.12 4.88 -0.14 3.63 1.01 0.13 -0.57 120.40 130.45 3i1n s VAL 39 Ca -0.08 0.99 -0.02 0.00 0.00 0.00 0.00 61.98 62.87 3i1n s VAL 39 Cb -0.13 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 3i1n s VAL 39 CO -0.03 -0.19 -0.09 -0.63 0.00 0.00 0.00 175.10 174.17 3i1n s ILE 40 N 2.75 3.39 0.73 2.22 1.01 0.23 -1.04 121.20 130.49 3i1n s ILE 40 Ca 0.28 -0.53 -0.16 0.00 0.00 0.00 0.00 60.65 60.24 3i1n s ILE 40 Cb -0.15 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 3i1n s ILE 40 CO 0.12 0.51 0.58 0.00 0.00 0.00 0.00 174.94 176.14 3i1n n ALA 41 N 3.60 -1.40 -0.14 9.38 0.00 0.40 -2.07 120.51 130.28 3i1n n ALA 41 Ca -0.18 -0.24 0.02 0.00 0.00 0.00 0.00 53.44 53.04 3i1n n ALA 41 Cb 0.52 -1.88 0.32 0.00 0.00 0.00 0.00 19.45 18.41 3i1n n ALA 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3i1n h PRO 42 N -0.39 0.81 -0.18 0.00 0.11 -1.88 -1.53 132.00 128.94 3i1n h PRO 42 Ca -0.46 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.66 3i1n h PRO 42 Cb 1.35 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3i1n h PRO 42 CO 0.43 0.54 0.21 -2.95 -0.21 0.00 0.00 178.00 176.01 3i1n h ASN 43 N 0.83 0.00 0.00 -2.05 7.08 -1.92 -3.45 115.58 116.07 3i1n h ASN 43 Ca 0.24 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.46 3i1n h ASN 43 Cb -0.06 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.18 3i1n h ASN 43 CO -0.06 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.90 3i1n n GLY 44 N -1.39 0.62 0.59 9.14 0.00 -0.58 -4.91 105.19 108.67 3i1n n GLY 44 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 3i1n n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i1n n SER 45 N 0.00 2.23 -3.73 1.61 7.64 -1.26 -4.96 113.62 115.16 3i1n n SER 45 Ca 0.00 -1.62 -0.13 0.00 1.01 0.00 0.00 58.87 58.13 3i1n n SER 45 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 3i1n n SER 45 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 3i1n s GLU 46 N -1.24 0.17 -0.08 1.43 -1.05 -1.26 -5.07 118.70 111.60 3i1n s GLU 46 Ca 0.17 0.51 -0.17 0.00 -0.15 0.00 0.00 54.97 55.33 3i1n s GLU 46 Cb 0.12 -0.13 -0.05 0.00 -0.44 0.00 0.00 34.13 33.63 3i1n s GLU 46 CO 0.19 -0.18 0.46 0.14 0.95 0.00 0.00 175.26 176.82 3i1n s VAL 47 N 1.35 5.13 -0.17 1.83 -7.23 -1.26 -0.45 120.40 119.60 3i1n s VAL 47 Ca -0.08 0.92 -0.24 0.00 -1.81 0.00 0.00 61.98 60.77 3i1n s VAL 47 Cb -0.11 -3.79 -0.21 0.00 0.56 0.00 0.00 36.38 32.83 3i1n s VAL 47 CO -0.08 0.40 0.45 -0.07 -0.31 0.00 0.00 175.10 175.49 3i1n h LEU 48 N 6.13 0.00 -8.21 1.32 3.38 -1.44 -3.47 115.31 113.02 3i1n h LEU 48 Ca -0.44 -0.70 -0.29 0.00 0.09 0.00 0.00 57.88 56.54 3i1n h LEU 48 Cb 1.19 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.73 3i1n h LEU 48 CO 0.72 1.22 -0.74 -0.69 0.09 0.00 0.00 178.44 179.04 3i1n s VAL 49 N -2.27 0.61 -0.10 1.22 1.01 -1.19 -5.04 120.40 114.64 3i1n s VAL 49 Ca -0.23 -1.14 -0.28 0.00 0.00 0.00 0.00 61.98 60.34 3i1n s VAL 49 Cb 0.02 -0.70 0.06 0.00 0.00 0.00 0.00 36.38 35.76 3i1n s VAL 49 CO 0.61 -0.38 0.65 0.00 0.00 0.00 0.00 175.10 175.97 3i1n s ALA 50 N -1.45 -1.66 -0.15 5.51 0.00 -1.26 0.17 121.76 122.92 3i1n s ALA 50 Ca -0.08 1.39 -0.13 0.00 0.00 0.00 0.00 51.96 53.14 3i1n s ALA 50 Cb -0.09 -0.30 0.04 0.00 0.00 0.00 0.00 23.12 22.77 3i1n s ALA 50 CO 0.00 -0.35 0.40 0.00 0.00 0.00 0.00 175.76 175.82 3i1n s ALA 51 N -0.77 -1.00 0.03 0.00 0.00 -0.12 -4.93 121.76 114.97 3i1n s ALA 51 Ca -0.08 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.08 3i1n s ALA 51 Cb -0.02 -0.70 -0.00 0.00 0.00 0.00 0.00 23.12 22.40 3i1n s ALA 51 CO 0.07 -0.20 0.02 -1.13 0.00 0.00 0.00 175.76 174.52 3i1n n SER 52 N 3.11 0.32 -0.79 0.00 3.41 -1.26 -1.31 113.62 117.10 3i1n n SER 52 Ca -0.15 -1.20 0.10 0.00 -0.26 0.00 0.00 58.87 57.36 3i1n n SER 52 Cb 0.57 0.13 0.09 0.00 -0.26 0.00 0.00 64.21 64.74 3i1n n SER 52 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3i1n n THR 53 N -0.07 0.04 1.61 6.66 -2.24 -0.95 -4.00 114.28 115.33 3i1n n THR 53 Ca 0.00 -0.52 0.14 0.00 -2.27 0.00 0.00 64.05 61.41 3i1n n THR 53 Cb 0.06 1.37 0.64 0.00 -2.10 0.00 0.00 70.33 70.29 3i1n n THR 53 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3i1n n VAL 54 N 1.10 0.00 -3.32 2.28 3.14 -1.26 -4.72 118.33 115.55 3i1n n VAL 54 Ca 0.12 -0.16 -0.38 0.00 -2.96 0.00 0.00 64.34 60.95 3i1n n VAL 54 Cb 0.49 0.19 -0.06 0.00 -1.06 0.00 0.00 33.84 33.40 3i1n n VAL 54 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 3i1n s GLU 55 N -2.06 4.26 0.00 1.45 2.02 -1.26 -5.02 118.70 118.10 3i1n s GLU 55 Ca 0.39 0.51 0.00 0.00 0.02 0.00 0.00 54.97 55.89 3i1n s GLU 55 Cb 0.21 -3.37 0.00 0.00 0.10 0.00 0.00 34.13 31.07 3i1n s GLU 55 CO 0.36 0.31 0.63 1.63 0.02 0.00 0.00 175.26 178.21 3i1n n LYS 56 N 3.11 0.00 -0.23 1.61 5.02 -1.26 -2.54 118.16 123.87 3i1n n LYS 56 Ca -0.08 0.63 -0.07 0.00 -2.02 0.00 0.00 58.31 56.77 3i1n n LYS 56 Cb 0.52 -1.10 -0.02 0.00 -0.02 0.00 0.00 35.03 34.40 3i1n n LYS 56 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1n h ALA 57 N -1.59 -0.22 0.00 7.82 0.00 -1.97 0.12 119.26 123.42 3i1n h ALA 57 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3i1n h ALA 57 Cb 0.00 0.93 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3i1n h ALA 57 CO 0.00 -0.78 0.00 -0.89 0.00 0.00 0.00 179.25 177.58 3i1n n ILE 58 N -5.41 0.38 0.00 0.00 5.41 -1.05 -2.48 119.36 116.20 3i1n n ILE 58 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 3i1n n ILE 58 Cb 0.35 -0.63 0.00 0.00 -0.71 0.00 0.00 39.64 38.66 3i1n n ILE 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i1n n ALA 59 N 0.59 0.07 0.26 -1.39 0.00 -0.77 -4.67 120.51 114.60 3i1n n ALA 59 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3i1n n ALA 59 Cb 0.23 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.40 3i1n n ALA 59 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3i1n h GLU 60 N 0.00 0.00 -2.13 0.00 4.81 -0.47 -2.56 114.58 114.23 3i1n h GLU 60 Ca 0.00 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.67 3i1n h GLU 60 Cb 0.00 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 28.97 3i1n h GLU 60 CO 0.00 0.00 -0.79 0.00 -0.73 0.00 0.00 179.01 177.49 3i1n n GLN 61 N -2.59 2.70 -3.85 1.92 10.64 -1.26 -5.03 117.38 119.90 3i1n n GLN 61 Ca -0.02 -4.46 -0.12 0.00 -1.83 0.00 0.00 57.00 50.57 3i1n n GLN 61 Cb 0.27 -2.09 -0.13 0.00 -0.86 0.00 0.00 30.24 27.42 3i1n n GLN 61 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3i1n s LEU 62 N -3.24 1.69 0.16 2.61 1.43 -0.97 -5.05 118.68 115.31 3i1n s LEU 62 Ca 0.46 0.11 -0.18 0.00 -1.03 0.00 0.00 54.13 53.50 3i1n s LEU 62 Cb 0.31 0.32 0.06 0.00 0.03 0.00 0.00 46.19 46.91 3i1n s LEU 62 CO -0.13 -0.07 1.67 0.50 0.23 0.00 0.00 176.35 178.56 3i1n h LYS 63 N 5.82 -0.03 -2.87 1.70 3.64 -1.96 -3.44 116.57 119.44 3i1n h LYS 63 Ca -0.25 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.03 3i1n h LYS 63 Cb 1.20 0.01 -0.19 0.00 -0.41 0.00 0.00 32.23 32.84 3i1n h LYS 63 CO 0.45 -0.02 -0.16 -0.47 -2.27 0.00 0.00 179.45 176.98 3i1n s TYR 64 N -6.20 -0.28 0.50 1.91 5.04 -1.26 -5.17 117.35 111.90 3i1n s TYR 64 Ca -0.14 0.39 -0.06 0.00 -2.44 0.00 0.00 57.07 54.83 3i1n s TYR 64 Cb 0.13 0.18 -0.03 0.00 0.35 0.00 0.00 41.96 42.59 3i1n s TYR 64 CO 0.70 -0.47 0.81 0.95 -1.34 0.00 0.00 175.55 176.20 3i1n s THR 65 N -1.62 4.73 -0.51 4.34 -4.23 -1.26 -4.46 115.64 112.63 3i1n s THR 65 Ca -0.11 0.21 -0.25 0.00 -1.18 0.00 0.00 61.69 60.36 3i1n s THR 65 Cb -0.03 -3.81 0.04 0.00 1.34 0.00 0.00 72.50 70.03 3i1n s THR 65 CO 0.03 -0.82 0.64 0.61 -0.54 0.00 0.00 174.62 174.55 3i1n n GLY 66 N -2.33 -0.56 3.15 3.99 0.00 -1.21 -4.61 105.19 103.62 3i1n n GLY 66 Ca 0.01 1.09 0.06 0.00 0.00 0.00 0.00 46.02 47.18 3i1n n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1n s ASN 67 N -2.11 -0.26 0.00 1.61 4.22 -1.26 -4.80 114.94 112.34 3i1n s ASN 67 Ca 0.27 0.11 0.00 0.00 -2.14 0.00 0.00 52.86 51.10 3i1n s ASN 67 Cb -0.04 1.20 0.00 0.00 1.28 0.00 0.00 41.25 43.69 3i1n s ASN 67 CO 0.84 -0.05 0.00 0.29 -2.04 0.00 0.00 177.10 176.14 3i1n n LYS 68 N 5.32 0.00 -0.18 3.55 5.02 -1.26 -1.04 118.16 129.57 3i1n n LYS 68 Ca -0.01 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.26 3i1n n LYS 68 Cb 0.56 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.61 3i1n n LYS 68 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3i1n h ASP 69 N 0.00 -0.56 -0.97 4.39 3.32 -1.97 0.28 116.42 120.92 3i1n h ASP 69 Ca 0.00 0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.23 3i1n h ASP 69 Cb 0.00 0.36 -0.05 0.00 0.22 0.00 0.00 39.33 39.86 3i1n h ASP 69 CO 0.00 -0.20 0.64 0.00 -1.72 0.00 0.00 179.24 177.96 3i1n h ALA 70 N 1.50 1.32 0.08 3.45 0.00 -1.31 -2.39 119.26 121.92 3i1n h ALA 70 Ca 0.26 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3i1n h ALA 70 Cb 0.42 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3i1n h ALA 70 CO -0.58 0.63 -0.27 0.00 0.00 0.00 0.00 179.25 179.03 3i1n h ALA 71 N 1.40 -0.43 0.00 0.00 0.00 -0.71 -1.56 119.26 117.95 3i1n h ALA 71 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3i1n h ALA 71 Cb -0.14 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3i1n h ALA 71 CO -0.08 -0.80 0.00 0.00 0.00 0.00 0.00 179.25 178.37 3i1n h ALA 72 N 0.28 1.00 0.02 0.00 0.00 -0.42 0.55 119.26 120.69 3i1n h ALA 72 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3i1n h ALA 72 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3i1n h ALA 72 CO -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 179.25 178.97 3i1n h ALA 73 N 2.05 -0.01 -0.81 0.00 0.00 -0.82 -2.49 119.26 117.18 3i1n h ALA 73 Ca 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3i1n h ALA 73 Cb 0.08 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3i1n h ALA 73 CO 0.00 0.04 0.42 0.28 0.00 0.00 0.00 179.25 179.98 3i1n h VAL 74 N -0.89 1.24 0.08 0.00 2.07 -0.79 -0.60 116.25 117.37 3i1n h VAL 74 Ca -0.02 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 66.87 3i1n h VAL 74 Cb 1.05 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 3i1n h VAL 74 CO 0.02 0.28 -0.53 1.23 0.02 0.00 0.00 177.57 178.59 3i1n h GLY 75 N 1.17 -1.16 0.32 2.17 0.00 -1.00 -1.32 103.07 103.24 3i1n h GLY 75 Ca 0.28 0.66 -0.00 0.00 0.00 0.00 0.00 47.33 48.26 3i1n h GLY 75 CO -0.04 -0.26 -0.48 1.70 0.00 0.00 0.00 176.54 177.47 3i1n h LYS 76 N -0.73 -0.80 0.00 4.80 3.64 -1.09 -2.64 116.57 119.75 3i1n h LYS 76 Ca 0.00 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3i1n h LYS 76 Cb 0.75 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3i1n h LYS 76 CO -0.31 -0.53 0.00 0.00 -2.27 0.00 0.00 179.45 176.33 3i1n n ALA 77 N -2.82 0.00 -0.24 5.00 0.00 -0.26 -1.33 120.51 120.85 3i1n n ALA 77 Ca -0.10 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.35 3i1n n ALA 77 Cb 0.41 0.23 0.13 0.00 0.00 0.00 0.00 19.45 20.22 3i1n n ALA 77 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3i1n h VAL 78 N 0.00 0.87 -0.40 0.00 -1.51 -1.19 0.16 116.25 114.19 3i1n h VAL 78 Ca 0.00 -0.22 0.08 0.00 -1.23 0.00 0.00 66.70 65.33 3i1n h VAL 78 Cb 0.00 0.19 -0.09 0.00 -2.13 0.00 0.00 31.29 29.26 3i1n h VAL 78 CO 0.00 0.11 -0.37 0.00 -1.23 0.00 0.00 177.57 176.09 3i1n h ALA 79 N 1.41 -0.28 0.79 5.19 0.00 -1.00 0.32 119.26 125.69 3i1n h ALA 79 Ca 0.34 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 3i1n h ALA 79 Cb 0.33 0.78 0.01 0.00 0.00 0.00 0.00 17.79 18.91 3i1n h ALA 79 CO -0.25 -0.78 -0.38 1.05 0.00 0.00 0.00 179.25 178.89 3i1n h GLU 80 N -0.29 -1.02 -1.07 0.00 4.11 0.53 0.31 114.58 117.16 3i1n h GLU 80 Ca 0.16 0.07 0.31 0.00 0.07 0.00 0.00 59.36 59.97 3i1n h GLU 80 Cb 0.56 0.23 -0.12 0.00 0.50 0.00 0.00 28.75 29.92 3i1n h GLU 80 CO -0.55 -0.68 0.65 0.00 0.07 0.00 0.00 179.01 178.50 3i1n h ARG 81 N -1.11 0.34 0.08 1.06 3.08 -0.92 0.84 114.38 117.76 3i1n h ARG 81 Ca -0.11 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 3i1n h ARG 81 Cb 0.81 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.78 3i1n h ARG 81 CO 0.18 0.23 -0.04 0.00 -1.07 0.00 0.00 179.97 179.26 3i1n h ALA 82 N 1.72 -0.11 -0.94 0.04 0.00 -0.14 -2.48 119.26 117.35 3i1n h ALA 82 Ca 0.69 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 55.53 3i1n h ALA 82 Cb 1.70 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.45 3i1n h ALA 82 CO -0.46 -0.31 0.60 1.25 0.00 0.00 0.00 179.25 180.32 3i1n h LEU 83 N -0.61 0.71 -0.02 0.00 7.12 0.28 -0.72 115.31 122.08 3i1n h LEU 83 Ca -0.01 0.05 0.01 0.00 0.13 0.00 0.00 57.88 58.07 3i1n h LEU 83 Cb 0.50 -0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 40.51 3i1n h LEU 83 CO 0.02 0.33 -0.34 -0.08 -0.13 0.00 0.00 178.44 178.24 3i1n h GLU 84 N 0.74 -0.40 0.00 1.25 4.57 0.82 -1.58 114.58 119.98 3i1n h GLU 84 Ca 0.49 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.70 3i1n h GLU 84 Cb 0.76 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 3i1n h GLU 84 CO -0.25 -0.27 0.00 1.63 -1.18 0.00 0.00 179.01 178.94 3i1n n LYS 85 N -4.38 0.41 -0.04 1.92 5.02 -0.39 -4.73 118.16 115.97 3i1n n LYS 85 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3i1n n LYS 85 Cb 0.25 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 3i1n n LYS 85 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1n n GLY 86 N -0.12 1.08 3.69 0.72 0.00 -0.59 -5.02 105.19 104.94 3i1n n GLY 86 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3i1n n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i1n s ILE 87 N -2.41 3.93 0.07 -0.61 -1.09 -0.50 -4.93 121.20 115.65 3i1n s ILE 87 Ca 0.00 1.28 -0.18 0.00 -2.23 0.00 0.00 60.65 59.52 3i1n s ILE 87 Cb 0.00 -3.82 0.04 0.00 -1.58 0.00 0.00 42.46 37.09 3i1n s ILE 87 CO 0.00 -0.01 0.41 -0.75 -1.23 0.00 0.00 174.94 173.36 3i1n s LYS 88 N 2.41 0.96 -0.08 2.79 2.20 -1.26 -2.87 119.74 123.89 3i1n s LYS 88 Ca 0.61 -0.46 -0.06 0.00 -0.36 0.00 0.00 55.97 55.70 3i1n s LYS 88 Cb -0.29 0.43 0.02 0.00 -1.51 0.00 0.00 37.83 36.48 3i1n s LYS 88 CO 0.24 -0.34 0.11 -0.25 -0.36 0.00 0.00 175.35 174.75 3i1n n ASP 89 N 0.30 -2.02 -3.46 1.43 8.00 -1.26 -4.90 116.55 114.65 3i1n n ASP 89 Ca -0.18 0.78 -0.16 0.00 0.71 0.00 0.00 54.79 55.94 3i1n n ASP 89 Cb 0.61 -3.28 -0.07 0.00 -0.02 0.00 0.00 41.12 38.36 3i1n n ASP 89 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3i1n s VAL 90 N -0.35 0.00 0.08 2.53 -7.23 -0.93 -4.82 120.40 109.69 3i1n s VAL 90 Ca -0.13 -1.81 0.09 0.00 -1.81 0.00 0.00 61.98 58.33 3i1n s VAL 90 Cb 0.01 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 3i1n s VAL 90 CO 0.35 0.00 -0.23 -0.44 -0.31 0.00 0.00 175.10 174.47 3i1n s SER 91 N -3.27 3.52 -0.21 4.85 0.01 -1.03 -4.49 113.70 113.08 3i1n s SER 91 Ca 0.35 -0.59 -0.15 0.00 1.31 0.00 0.00 55.95 56.87 3i1n s SER 91 Cb 0.02 -0.40 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 3i1n s SER 91 CO 0.22 0.22 0.36 0.12 0.41 0.00 0.00 173.24 174.56 3i1n s PHE 92 N -0.98 3.35 -0.53 2.43 5.36 -1.26 0.06 117.98 126.41 3i1n s PHE 92 Ca 0.14 0.54 -0.04 0.00 -0.96 0.00 0.00 56.93 56.61 3i1n s PHE 92 Cb -0.10 -2.49 0.14 0.00 -0.34 0.00 0.00 43.02 40.23 3i1n s PHE 92 CO 0.06 -0.01 0.34 0.34 -1.46 0.00 0.00 175.22 174.49 3i1n s ASP 93 N 1.09 5.31 0.00 6.13 3.68 0.09 -4.92 116.67 128.05 3i1n s ASP 93 Ca 0.17 -2.44 0.00 0.00 2.13 0.00 0.00 52.55 52.40 3i1n s ASP 93 Cb -0.15 -1.86 0.00 0.00 -1.45 0.00 0.00 42.92 39.46 3i1n s ASP 93 CO 0.07 -0.47 0.77 -2.11 0.13 0.00 0.00 175.17 173.57 3i1n n ARG 94 N 4.06 0.00 -4.15 4.34 -4.01 -1.26 -2.71 116.66 112.93 3i1n n ARG 94 Ca 0.03 0.28 -0.31 0.00 -1.04 0.00 0.00 57.85 56.80 3i1n n ARG 94 Cb 0.40 -1.51 -0.04 0.00 -3.04 0.00 0.00 32.46 28.27 3i1n n ARG 94 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02 3i1n n SER 95 N -1.27 -1.11 0.00 2.89 7.64 -1.26 -1.02 113.62 119.49 3i1n n SER 95 Ca 0.00 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 58.80 3i1n n SER 95 Cb 0.01 -2.59 0.00 0.00 -1.01 0.00 0.00 64.21 60.62 3i1n n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1n n GLY 96 N -1.86 3.28 3.77 0.23 0.00 -1.26 -4.84 105.19 104.51 3i1n n GLY 96 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 3i1n n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1n s PHE 97 N -2.36 3.79 -0.03 1.61 0.08 -0.19 -4.86 117.98 116.02 3i1n s PHE 97 Ca 0.00 1.80 -0.30 0.00 0.12 0.00 0.00 56.93 58.55 3i1n s PHE 97 Cb 0.00 -2.92 -0.06 0.00 -0.57 0.00 0.00 43.02 39.48 3i1n s PHE 97 CO 0.00 0.30 1.58 -1.14 -0.10 0.00 0.00 175.22 175.86 3i1n s GLN 98 N -1.76 4.21 -0.77 0.44 0.74 -1.26 -4.79 119.66 116.47 3i1n s GLN 98 Ca 0.47 2.13 -0.26 0.00 0.05 0.00 0.00 55.36 57.75 3i1n s GLN 98 Cb -0.21 -3.84 -0.10 0.00 1.10 0.00 0.00 33.01 29.97 3i1n s GLN 98 CO 0.26 -0.77 2.24 -0.47 -0.55 0.00 0.00 175.29 176.00 3i1n s TYR 99 N 3.49 1.35 0.00 1.67 6.14 -1.26 -3.91 117.35 124.84 3i1n s TYR 99 Ca 0.70 1.47 0.00 0.00 0.64 0.00 0.00 57.07 59.88 3i1n s TYR 99 Cb -0.33 -3.67 0.00 0.00 0.42 0.00 0.00 41.96 38.38 3i1n s TYR 99 CO 0.28 -1.79 0.00 1.58 0.64 0.00 0.00 175.55 176.26 3i1n n HIS 100 N 16.60 -1.07 0.00 4.97 -0.00 -1.26 -4.83 115.22 129.62 3i1n n HIS 100 Ca 0.42 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.60 3i1n n HIS 100 Cb 0.46 0.21 0.00 0.00 -0.12 0.00 0.00 29.99 30.55 3i1n n HIS 100 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3i1n n GLY 101 N -1.30 1.69 0.09 1.57 0.00 -1.25 -4.01 105.19 101.98 3i1n n GLY 101 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3i1n n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1n n ARG 102 N 0.00 0.27 -0.04 1.61 1.74 -1.26 -3.07 116.66 115.91 3i1n n ARG 102 Ca 0.00 0.17 -0.11 0.00 -0.77 0.00 0.00 57.85 57.14 3i1n n ARG 102 Cb 0.00 -1.76 0.03 0.00 -1.02 0.00 0.00 32.46 29.71 3i1n n ARG 102 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 3i1n h VAL 103 N 0.00 1.30 -0.33 1.55 -1.51 -1.88 -3.08 116.25 112.30 3i1n h VAL 103 Ca 0.00 -1.68 -0.09 0.00 -1.23 0.00 0.00 66.70 63.69 3i1n h VAL 103 Cb 0.74 1.61 -0.01 0.00 -2.13 0.00 0.00 31.29 31.50 3i1n h VAL 103 CO 0.00 0.54 -0.16 -0.61 -1.23 0.00 0.00 177.57 176.11 3i1n h GLN 104 N 0.56 0.70 -6.79 5.19 4.15 -1.67 -2.91 115.11 114.33 3i1n h GLN 104 Ca 0.03 -0.31 -0.41 0.00 0.77 0.00 0.00 58.65 58.73 3i1n h GLN 104 Cb 1.04 -0.02 0.22 0.00 0.21 0.00 0.00 27.48 28.93 3i1n h GLN 104 CO 0.10 0.91 -0.53 0.00 -1.93 0.00 0.00 178.83 177.37 3i1n n ALA 105 N -2.46 -3.61 0.00 3.38 0.00 -1.16 -0.61 120.51 116.05 3i1n n ALA 105 Ca -0.03 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.07 3i1n n ALA 105 Cb 0.39 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.23 3i1n n ALA 105 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1n n LEU 106 N -3.33 0.00 0.08 0.00 7.94 -1.25 -4.10 117.00 116.34 3i1n n LEU 106 Ca 0.03 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.81 3i1n n LEU 106 Cb 0.57 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.44 3i1n n LEU 106 CO 0.50 0.00 0.51 0.00 -1.11 0.00 0.00 177.39 177.29 3i1n h ALA 107 N 0.00 -0.88 -0.30 1.96 0.00 -1.38 0.43 119.26 119.09 3i1n h ALA 107 Ca 0.00 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.92 3i1n h ALA 107 Cb 0.00 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3i1n h ALA 107 CO 0.00 -0.98 0.24 -0.44 0.00 0.00 0.00 179.25 178.08 3i1n h ASP 108 N -0.55 0.00 -0.10 0.00 3.45 -1.01 0.37 116.42 118.59 3i1n h ASP 108 Ca -0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.44 3i1n h ASP 108 Cb 0.56 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.32 3i1n h ASP 108 CO -0.21 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 177.46 3i1n h ALA 109 N 1.79 0.13 0.00 3.45 0.00 -1.49 -2.62 119.26 120.52 3i1n h ALA 109 Ca 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3i1n h ALA 109 Cb 0.63 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3i1n h ALA 109 CO -0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 179.25 179.00 3i1n h ALA 110 N 0.75 1.81 -3.00 0.00 0.00 0.19 -2.95 119.26 116.06 3i1n h ALA 110 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i1n h ALA 110 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3i1n h ALA 110 CO 0.00 0.07 0.00 -2.13 0.00 0.00 0.00 179.25 177.19 3i1n n ARG 111 N -4.32 0.00 -0.45 0.00 0.00 -0.60 -1.44 116.66 109.84 3i1n n ARG 111 Ca -0.03 0.03 -0.17 0.00 -0.00 0.00 0.00 57.85 57.68 3i1n n ARG 111 Cb 0.14 -0.64 -0.05 0.00 0.00 0.00 0.00 32.46 31.91 3i1n n ARG 111 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3i1n n GLU 112 N -0.17 0.00 0.00 -0.14 4.71 -1.01 0.04 120.64 124.08 3i1n n GLU 112 Ca 0.00 -0.52 0.00 0.00 -0.01 0.00 0.00 57.16 56.63 3i1n n GLU 112 Cb 0.00 -1.86 0.00 0.00 -1.01 0.00 0.00 31.44 28.57 3i1n n GLU 112 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i1n n ALA 113 N 5.88 0.00 0.00 0.62 0.00 -1.23 -4.90 120.51 120.87 3i1n n ALA 113 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3i1n n ALA 113 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 3i1n n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1n n GLY 114 N -0.71 1.46 3.77 0.00 0.00 0.11 -4.78 105.19 105.04 3i1n n GLY 114 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i1n n GLY 114 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i1n s LEU 115 N 0.00 4.34 -0.47 0.99 2.96 -0.52 -4.82 118.68 121.15 3i1n s LEU 115 Ca 0.00 2.98 -0.15 0.00 -0.22 0.00 0.00 54.13 56.74 3i1n s LEU 115 Cb 0.00 -3.65 0.08 0.00 0.50 0.00 0.00 46.19 43.12 3i1n s LEU 115 CO 0.00 -0.86 0.39 -1.10 -1.32 0.00 0.00 176.35 173.47 3i1n s GLN 116 N -1.50 2.93 0.00 1.98 1.11 -1.26 -4.36 119.66 118.57 3i1n s GLN 116 Ca 0.56 -1.42 0.00 0.00 0.01 0.00 0.00 55.36 54.52 3i1n s GLN 116 Cb -0.46 -4.11 0.00 0.00 -1.01 0.00 0.00 33.01 27.43 3i1n s GLN 116 CO 0.57 -1.06 0.00 1.97 0.01 0.00 0.00 175.29 176.78