#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m1n n PRO 26 N 0.00 0.16 0.00 1.61 -0.04 -1.26 -4.96 135.00 130.51 3m1n n PRO 26 Ca 0.00 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 3m1n n PRO 26 Cb 0.00 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 3m1n n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3m1n n GLY 27 N 0.20 2.46 3.76 0.55 0.00 -1.26 -4.94 105.19 105.96 3m1n n GLY 27 Ca 0.03 -2.01 -0.39 0.00 0.00 0.00 0.00 46.02 43.65 3m1n n GLY 27 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3m1n s ARG 28 N -2.54 3.57 0.00 1.61 3.52 -1.26 -2.80 118.95 121.05 3m1n s ARG 28 Ca 0.00 2.19 0.00 0.00 -0.13 0.00 0.00 55.73 57.79 3m1n s ARG 28 Cb 0.00 -2.50 0.00 0.00 -1.56 0.00 0.00 34.95 30.89 3m1n s ARG 28 CO 0.00 -0.83 0.00 0.41 -0.81 0.00 0.00 175.30 174.07 3m1n n GLY 29 N 0.63 2.78 1.19 8.12 0.00 -1.26 -4.84 105.19 111.82 3m1n n GLY 29 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.10 3m1n n GLY 29 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3m1n n PHE 30 N -1.40 1.30 -0.89 1.61 3.01 -1.12 -5.00 117.46 114.97 3m1n n PHE 30 Ca 0.00 -1.18 0.00 0.00 1.01 0.00 0.00 57.45 57.28 3m1n n PHE 30 Cb 0.00 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.02 3m1n n PHE 30 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3m1n n GLY 31 N -0.67 0.20 3.68 1.37 0.00 -1.26 -4.98 105.19 103.54 3m1n n GLY 31 Ca 0.29 -1.79 -0.52 0.00 0.00 0.00 0.00 46.02 44.00 3m1n n GLY 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3m1n n LYS 32 N -0.15 1.72 -2.32 1.61 0.00 -1.26 -4.88 118.16 112.87 3m1n n LYS 32 Ca 0.00 0.63 -0.43 0.00 0.00 0.00 0.00 58.31 58.51 3m1n n LYS 32 Cb 0.00 -2.42 -0.02 0.00 0.00 0.00 0.00 35.03 32.58 3m1n n LYS 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3m1n s ARG 33 N 4.00 4.15 0.12 1.64 0.52 -1.26 -4.93 118.95 123.19 3m1n s ARG 33 Ca 0.96 1.71 -0.11 0.00 -0.52 0.00 0.00 55.73 57.76 3m1n s ARG 33 Cb -0.85 -3.84 -0.09 0.00 0.52 0.00 0.00 34.95 30.68 3m1n s ARG 33 CO 0.57 -0.83 1.39 -0.09 0.02 0.00 0.00 175.30 176.36 3m1n h ARG 34 N 8.80 0.86 -2.07 3.54 2.43 -1.98 -3.38 114.38 122.57 3m1n h ARG 34 Ca -0.29 -0.57 -0.57 0.00 -0.81 0.00 0.00 59.98 57.73 3m1n h ARG 34 Cb 1.12 0.08 -0.40 0.00 -0.42 0.00 0.00 29.97 30.35 3m1n h ARG 34 CO 0.98 1.20 -0.92 0.72 -1.51 0.00 0.00 179.97 180.44 3m1n n HIS 35 N -3.99 1.16 -1.83 2.20 -0.00 -1.26 -5.12 115.22 106.38 3m1n n HIS 35 Ca -0.05 -3.79 -0.38 0.00 -0.00 0.00 0.00 57.72 53.50 3m1n n HIS 35 Cb 0.65 -0.43 0.04 0.00 -0.00 0.00 0.00 29.99 30.25 3m1n n HIS 35 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3m1n s PRO 36 N -1.76 3.20 0.46 -0.41 0.04 -1.26 -4.95 135.00 130.31 3m1n s PRO 36 Ca 0.37 2.19 -0.23 0.00 0.04 0.00 0.00 61.00 63.37 3m1n s PRO 36 Cb 0.18 -2.27 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 3m1n s PRO 36 CO -0.08 -1.13 1.04 0.36 0.04 0.00 0.00 177.00 177.24 3m1n n LYS 37 N -0.98 1.37 -2.15 4.56 0.00 -1.26 -4.95 118.16 114.74 3m1n n LYS 37 Ca 0.10 0.49 -0.41 0.00 -0.00 0.00 0.00 58.31 58.49 3m1n n LYS 37 Cb 0.45 -2.13 -0.03 0.00 -0.00 0.00 0.00 35.03 33.33 3m1n n LYS 37 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3m1n s LYS 38 N -2.19 4.36 0.68 -1.58 1.02 -1.26 -5.03 119.74 115.75 3m1n s LYS 38 Ca 0.65 2.15 -0.14 0.00 0.02 0.00 0.00 55.97 58.66 3m1n s LYS 38 Cb -0.52 -3.13 0.01 0.00 -0.52 0.00 0.00 37.83 33.67 3m1n s LYS 38 CO 0.55 -0.24 1.10 -0.51 -0.92 0.00 0.00 175.35 175.33 3m1n s LEU 39 N -0.82 3.31 -0.22 3.17 1.43 -1.26 -5.00 118.68 119.29 3m1n s LEU 39 Ca 0.54 1.95 -0.18 0.00 -1.03 0.00 0.00 54.13 55.40 3m1n s LEU 39 Cb -0.39 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.26 3m1n s LEU 39 CO 0.44 -1.70 0.53 -0.89 0.23 0.00 0.00 176.35 174.97 3m1n s THR 40 N -2.48 5.08 0.64 5.49 2.01 -1.26 -5.04 115.64 120.08 3m1n s THR 40 Ca 0.65 0.95 -0.18 0.00 0.31 0.00 0.00 61.69 63.42 3m1n s THR 40 Cb -0.19 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 3m1n s THR 40 CO 0.45 0.14 1.30 -2.84 -0.69 0.00 0.00 174.62 172.97 3m1n s PRO 41 N 1.91 2.60 0.56 4.92 0.02 -1.26 -4.72 135.00 139.03 3m1n s PRO 41 Ca 0.23 2.08 -0.14 0.00 0.02 0.00 0.00 61.00 63.20 3m1n s PRO 41 Cb -0.15 -1.88 -0.06 0.00 0.02 0.00 0.00 34.50 32.43 3m1n s PRO 41 CO 0.09 -1.57 0.99 -0.51 -0.33 0.00 0.00 177.00 175.68 3m1n s LEU 42 N -4.30 3.46 0.38 -5.54 1.43 -0.46 -4.91 118.68 108.74 3m1n s LEU 42 Ca 0.82 1.48 -0.04 0.00 -1.03 0.00 0.00 54.13 55.36 3m1n s LEU 42 Cb -0.38 -4.46 -0.04 0.00 0.03 0.00 0.00 46.19 41.34 3m1n s LEU 42 CO 0.40 -0.70 0.64 0.00 0.23 0.00 0.00 176.35 176.92 3m1n s ALA 43 N -2.86 3.55 0.18 4.21 0.00 -1.26 -4.40 121.76 121.19 3m1n s ALA 43 Ca 0.57 -0.62 -0.33 0.00 0.00 0.00 0.00 51.96 51.57 3m1n s ALA 43 Cb -0.10 -2.36 -0.14 0.00 0.00 0.00 0.00 23.12 20.51 3m1n s ALA 43 CO 0.41 -0.04 1.49 0.98 0.00 0.00 0.00 175.76 178.60 3m1n n TYR 44 N -1.64 2.14 -0.86 0.00 9.36 -1.26 -0.81 117.16 124.09 3m1n n TYR 44 Ca -0.02 0.37 0.00 0.00 3.32 0.00 0.00 57.90 61.57 3m1n n TYR 44 Cb 0.55 -2.49 0.00 0.00 -0.63 0.00 0.00 39.34 36.77 3m1n n TYR 44 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3m1n n LYS 45 N 2.83 -0.16 -2.54 2.98 4.76 0.38 -5.01 118.16 121.40 3m1n n LYS 45 Ca 0.15 0.04 -0.36 0.00 -2.87 0.00 0.00 58.31 55.28 3m1n n LYS 45 Cb 0.29 -3.34 -0.04 0.00 -1.84 0.00 0.00 35.03 30.10 3m1n n LYS 45 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3m1n s GLN 46 N -0.45 4.04 0.03 1.97 0.74 0.00 -4.77 119.66 121.23 3m1n s GLN 46 Ca 0.00 1.47 0.04 0.00 0.05 0.00 0.00 55.36 56.91 3m1n s GLN 46 Cb 0.00 -2.39 -0.02 0.00 1.10 0.00 0.00 33.01 31.70 3m1n s GLN 46 CO 0.00 -0.24 -0.11 -0.59 -0.55 0.00 0.00 175.29 173.80 3m1n s PHE 47 N -1.76 0.94 -0.04 1.67 -0.71 -1.26 -0.84 117.98 115.98 3m1n s PHE 47 Ca 0.61 -0.33 0.00 0.00 -1.04 0.00 0.00 56.93 56.18 3m1n s PHE 47 Cb -0.20 -0.57 0.03 0.00 -1.21 0.00 0.00 43.02 41.07 3m1n s PHE 47 CO 0.25 -0.00 -0.00 0.42 -1.34 0.00 0.00 175.22 174.54 3m1n s ILE 48 N -0.79 0.24 0.81 -4.49 1.01 0.15 -3.32 121.20 114.80 3m1n s ILE 48 Ca -0.01 0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.62 3m1n s ILE 48 Cb -0.07 -0.34 0.08 0.00 0.01 0.00 0.00 42.46 42.14 3m1n s ILE 48 CO 0.01 0.17 1.11 -2.16 0.00 0.00 0.00 174.94 174.07 3m1n s PRO 49 N 1.22 1.93 -1.43 2.79 0.04 -1.26 -0.93 135.00 137.35 3m1n s PRO 49 Ca -0.07 1.27 -0.09 0.00 0.04 0.00 0.00 61.00 62.16 3m1n s PRO 49 Cb -0.13 -1.85 0.05 0.00 0.04 0.00 0.00 34.50 32.61 3m1n s PRO 49 CO -0.02 -1.91 2.45 -1.71 0.04 0.00 0.00 177.00 175.85 3m1n n ASN 50 N -3.71 7.10 -4.04 6.66 5.15 -1.21 -4.80 115.26 120.42 3m1n n ASN 50 Ca 0.10 -2.91 -0.10 0.00 -0.60 0.00 0.00 54.58 51.07 3m1n n ASN 50 Cb 0.53 -1.49 -0.07 0.00 -0.53 0.00 0.00 39.78 38.22 3m1n n ASN 50 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3m1n s VAL 51 N 0.82 0.00 0.45 3.44 -7.23 -1.26 -5.11 120.40 111.51 3m1n s VAL 51 Ca 0.55 -1.58 -0.25 0.00 -1.81 0.00 0.00 61.98 58.90 3m1n s VAL 51 Cb 0.16 -2.30 -0.08 0.00 0.56 0.00 0.00 36.38 34.72 3m1n s VAL 51 CO -0.06 0.00 1.37 0.00 -0.31 0.00 0.00 175.10 176.10 3m1n s ALA 52 N -4.04 3.18 0.20 1.32 0.00 -1.26 -4.91 121.76 116.24 3m1n s ALA 52 Ca 0.27 1.36 -0.16 0.00 0.00 0.00 0.00 51.96 53.44 3m1n s ALA 52 Cb 0.01 -3.55 0.19 0.00 0.00 0.00 0.00 23.12 19.78 3m1n s ALA 52 CO 0.10 -1.09 1.63 1.49 0.00 0.00 0.00 175.76 177.88 3m1n h GLU 53 N 2.29 -0.04 0.00 0.00 4.81 -1.96 -1.58 114.58 118.09 3m1n h GLU 53 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3m1n h GLU 53 Cb 1.26 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.65 3m1n h GLU 53 CO 0.61 -0.03 0.00 0.36 -0.73 0.00 0.00 179.01 179.22 3m1n n LYS 54 N -5.42 0.71 -1.53 1.92 0.00 -1.26 -0.82 118.16 111.77 3m1n n LYS 54 Ca 0.06 0.01 -0.31 0.00 -0.00 0.00 0.00 58.31 58.07 3m1n n LYS 54 Cb 0.32 -1.50 0.06 0.00 -0.00 0.00 0.00 35.03 33.90 3m1n n LYS 54 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3m1n s THR 55 N -2.07 3.92 0.38 0.58 -4.23 -0.60 -3.23 115.64 110.40 3m1n s THR 55 Ca 0.35 0.63 0.05 0.00 -1.18 0.00 0.00 61.69 61.54 3m1n s THR 55 Cb 0.17 -3.33 0.25 0.00 1.34 0.00 0.00 72.50 70.93 3m1n s THR 55 CO 0.29 -0.81 2.01 -0.07 -0.54 0.00 0.00 174.62 175.51 3m1n h LEU 56 N -0.76 0.55 0.00 4.79 4.07 -1.89 -1.12 115.31 120.96 3m1n h LEU 56 Ca -0.44 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.49 3m1n h LEU 56 Cb 1.21 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.81 3m1n h LEU 56 CO 0.56 0.44 0.00 0.61 -1.08 0.00 0.00 178.44 178.96 3m1n n GLY 57 N -1.36 -1.25 0.00 0.83 0.00 -1.26 -4.50 105.19 97.66 3m1n n GLY 57 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3m1n n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1n n ALA 58 N -1.44 0.00 1.16 4.61 0.00 -0.62 -4.86 120.51 119.36 3m1n n ALA 58 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.64 3m1n n ALA 58 Cb 0.25 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.92 3m1n n ALA 58 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3m1n n SER 59 N 0.00 1.74 -0.72 0.00 7.64 0.00 -4.67 113.62 117.60 3m1n n SER 59 Ca 0.00 -1.36 0.05 0.00 1.01 0.00 0.00 58.87 58.57 3m1n n SER 59 Cb 0.00 0.23 -0.01 0.00 -1.01 0.00 0.00 64.21 63.41 3m1n n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3m1n n GLY 60 N 1.35 -1.64 3.77 0.23 0.00 -0.52 -3.84 105.19 104.54 3m1n n GLY 60 Ca 0.12 -1.21 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 3m1n n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m1n s ARG 61 N -0.68 3.54 0.03 1.61 1.81 -1.20 -4.29 118.95 119.77 3m1n s ARG 61 Ca 0.00 1.73 -0.30 0.00 -1.72 0.00 0.00 55.73 55.43 3m1n s ARG 61 Cb 0.00 -2.22 -0.06 0.00 -0.45 0.00 0.00 34.95 32.22 3m1n s ARG 61 CO 0.00 -0.72 1.45 -0.47 -0.68 0.00 0.00 175.30 174.87 3m1n s TYR 62 N -1.63 2.83 -2.66 -0.53 5.04 -1.26 -4.88 117.35 114.25 3m1n s TYR 62 Ca 0.68 0.74 0.26 0.00 -2.44 0.00 0.00 57.07 56.31 3m1n s TYR 62 Cb -0.27 -3.72 0.57 0.00 0.35 0.00 0.00 41.96 38.88 3m1n s TYR 62 CO 0.32 -2.71 1.47 0.39 -1.34 0.00 0.00 175.55 173.67 3m1n n GLU 63 N 5.20 1.90 0.00 4.97 1.02 -1.26 -5.06 120.64 127.41 3m1n n GLU 63 Ca 0.13 -1.39 0.00 0.00 -0.02 0.00 0.00 57.16 55.88 3m1n n GLU 63 Cb 0.43 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 3m1n n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m1n n GLY 64 N 1.28 2.56 3.77 0.62 0.00 -1.26 -5.03 105.19 107.13 3m1n n GLY 64 Ca 0.16 -1.87 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 3m1n n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m1n s LYS 65 N -3.30 4.21 -0.25 1.61 -2.85 -1.26 -4.68 119.74 113.22 3m1n s LYS 65 Ca 0.00 2.16 -0.11 0.00 -1.00 0.00 0.00 55.97 57.03 3m1n s LYS 65 Cb 0.00 -2.94 -0.05 0.00 -2.06 0.00 0.00 37.83 32.78 3m1n s LYS 65 CO 0.00 -0.29 0.17 0.42 0.10 0.00 0.00 175.35 175.74 3m1n s ILE 66 N -1.20 5.35 0.25 3.79 1.01 0.44 -4.99 121.20 125.85 3m1n s ILE 66 Ca 0.52 0.18 0.06 0.00 0.00 0.00 0.00 60.65 61.42 3m1n s ILE 66 Cb -0.38 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 3m1n s ILE 66 CO 0.50 0.33 0.25 -0.94 0.00 0.00 0.00 174.94 175.09 3m1n s SER 67 N 1.16 5.75 0.30 3.58 1.04 -1.26 -4.84 113.70 119.43 3m1n s SER 67 Ca 0.08 -0.17 -0.01 0.00 0.48 0.00 0.00 55.95 56.33 3m1n s SER 67 Cb -0.14 -1.51 0.47 0.00 0.10 0.00 0.00 66.02 64.94 3m1n s SER 67 CO 0.05 -0.07 1.92 -0.09 0.98 0.00 0.00 173.24 176.04 3m1n h ARG 68 N 1.37 0.93 -1.48 4.02 2.43 -1.99 -2.59 114.38 117.08 3m1n h ARG 68 Ca -0.49 -0.10 -0.38 0.00 -0.81 0.00 0.00 59.98 58.19 3m1n h ARG 68 Cb 1.24 -0.19 -0.16 0.00 -0.42 0.00 0.00 29.97 30.44 3m1n h ARG 68 CO 0.60 0.69 0.48 0.27 -1.51 0.00 0.00 179.97 180.51 3m1n n ASN 69 N -4.37 6.65 -4.01 -3.80 2.04 -1.26 -4.84 115.26 105.67 3m1n n ASN 69 Ca 0.07 -3.17 -0.25 0.00 -0.44 0.00 0.00 54.58 50.78 3m1n n ASN 69 Cb 0.10 -1.06 -0.06 0.00 -2.53 0.00 0.00 39.78 36.24 3m1n n ASN 69 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 3m1n n SER 70 N 0.20 2.60 -0.01 0.53 3.41 -0.97 -5.09 113.62 114.29 3m1n n SER 70 Ca 0.35 -2.84 0.07 0.00 -0.26 0.00 0.00 58.87 56.20 3m1n n SER 70 Cb 0.59 0.46 -0.11 0.00 -0.26 0.00 0.00 64.21 64.88 3m1n n SER 70 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3m1n n GLU 71 N -0.97 0.57 0.27 4.33 -0.58 -1.26 -3.98 120.64 119.02 3m1n n GLU 71 Ca -0.14 -0.13 0.15 0.00 -0.42 0.00 0.00 57.16 56.62 3m1n n GLU 71 Cb 0.53 -1.34 0.72 0.00 -0.57 0.00 0.00 31.44 30.78 3m1n n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3m1n h ARG 72 N 0.00 0.00 -0.42 3.49 3.08 -1.98 -2.69 114.38 115.86 3m1n h ARG 72 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 3m1n h ARG 72 Cb 0.66 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 3m1n h ARG 72 CO 0.00 0.10 0.28 0.35 -1.07 0.00 0.00 179.97 179.63 3m1n h PHE 73 N 0.00 0.38 0.00 3.04 3.57 -1.77 -2.31 116.94 119.86 3m1n h PHE 73 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3m1n h PHE 73 Cb 0.43 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.04 3m1n h PHE 73 CO 0.00 0.22 0.00 0.87 -2.23 0.00 0.00 178.31 177.17 3m1n h LYS 74 N 0.39 0.00 0.00 1.11 1.57 -1.69 -1.94 116.57 116.02 3m1n h LYS 74 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3m1n h LYS 74 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3m1n h LYS 74 CO -0.04 0.00 0.00 0.93 -0.57 0.00 0.00 179.45 179.77 3m1n h GLU 75 N 0.00 0.00 -6.85 3.15 5.08 -1.49 -3.46 114.58 111.01 3m1n h GLU 75 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 3m1n h GLU 75 Cb 0.71 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.97 3m1n h GLU 75 CO 0.00 0.00 0.42 -0.51 -1.00 0.00 0.00 179.01 177.92 3m1n s LEU 76 N -5.56 4.42 0.03 1.33 1.02 -0.73 -4.68 118.68 114.52 3m1n s LEU 76 Ca 0.06 2.11 0.08 0.00 0.02 0.00 0.00 54.13 56.40 3m1n s LEU 76 Cb 0.08 -3.83 -0.03 0.00 0.02 0.00 0.00 46.19 42.44 3m1n s LEU 76 CO 0.58 -0.19 -0.25 0.28 0.02 0.00 0.00 176.35 176.79 3m1n s THR 77 N -1.36 1.97 0.25 5.49 -1.32 0.82 -4.81 115.64 116.68 3m1n s THR 77 Ca 0.48 -1.25 -0.24 0.00 -1.21 0.00 0.00 61.69 59.47 3m1n s THR 77 Cb -0.27 -1.68 -0.09 0.00 -1.51 0.00 0.00 72.50 68.95 3m1n s THR 77 CO 0.34 0.38 0.83 -2.16 -2.21 0.00 0.00 174.62 171.80 3m1n s PRO 78 N -1.05 4.49 -0.33 7.08 0.05 -1.26 -1.48 135.00 142.50 3m1n s PRO 78 Ca 0.10 1.15 -0.10 0.00 0.05 0.00 0.00 61.00 62.20 3m1n s PRO 78 Cb -0.10 -2.96 0.00 0.00 0.05 0.00 0.00 34.50 31.50 3m1n s PRO 78 CO 0.01 0.40 0.17 1.21 0.05 0.00 0.00 177.00 178.84 3m1n s ASN 79 N -1.50 5.60 -0.13 6.66 3.84 0.73 -4.95 114.94 125.20 3m1n s ASN 79 Ca 0.44 -0.67 0.15 0.00 0.21 0.00 0.00 52.86 52.99 3m1n s ASN 79 Cb -0.19 -2.01 0.51 0.00 -0.55 0.00 0.00 41.25 39.01 3m1n s ASN 79 CO 0.24 -0.25 1.43 -1.22 -2.79 0.00 0.00 177.10 174.50 3m1n n TYR 80 N 4.99 0.96 -1.63 0.43 4.01 -1.26 -4.80 117.16 119.85 3m1n n TYR 80 Ca -0.13 -0.75 -0.58 0.00 -0.16 0.00 0.00 57.90 56.28 3m1n n TYR 80 Cb 0.48 -0.25 -0.08 0.00 -0.31 0.00 0.00 39.34 39.18 3m1n n TYR 80 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3m1n n ASN 81 N -0.02 2.01 0.16 7.72 2.85 -1.26 -4.83 115.26 121.89 3m1n n ASN 81 Ca 0.20 0.96 0.13 0.00 -0.11 0.00 0.00 54.58 55.75 3m1n n ASN 81 Cb 0.80 -1.09 0.55 0.00 1.24 0.00 0.00 39.78 41.28 3m1n n ASN 81 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3m1n h PRO 82 N 7.83 0.00 -0.40 1.20 0.13 -2.04 -2.48 132.00 136.24 3m1n h PRO 82 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3m1n h PRO 82 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3m1n h PRO 82 CO 0.99 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.51 3m1n n ASP 83 N -2.37 2.32 -4.13 1.44 10.43 -1.26 -4.83 116.55 118.16 3m1n n ASP 83 Ca 0.01 -1.96 -0.30 0.00 2.57 0.00 0.00 54.79 55.12 3m1n n ASP 83 Cb 0.20 -0.27 -0.17 0.00 1.84 0.00 0.00 41.12 42.73 3m1n n ASP 83 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3m1n s ILE 84 N -1.47 1.72 -0.18 0.53 1.01 -0.93 -3.85 121.20 118.02 3m1n s ILE 84 Ca 0.31 -0.81 -0.25 0.00 0.00 0.00 0.00 60.65 59.90 3m1n s ILE 84 Cb 0.16 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 3m1n s ILE 84 CO 0.22 0.49 0.80 -0.63 0.00 0.00 0.00 174.94 175.82 3m1n s ILE 85 N 0.64 4.89 -0.36 2.92 1.01 -0.16 -4.89 121.20 125.24 3m1n s ILE 85 Ca -0.13 1.56 -0.11 0.00 0.00 0.00 0.00 60.65 61.97 3m1n s ILE 85 Cb -0.16 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.22 3m1n s ILE 85 CO 0.04 0.02 0.20 -0.36 0.00 0.00 0.00 174.94 174.83 3m1n s PHE 86 N 2.23 3.24 0.21 3.97 0.08 -1.26 -0.06 117.98 126.39 3m1n s PHE 86 Ca 0.36 -0.93 -0.09 0.00 0.12 0.00 0.00 56.93 56.39 3m1n s PHE 86 Cb -0.16 -2.42 0.28 0.00 -0.57 0.00 0.00 43.02 40.15 3m1n s PHE 86 CO 0.11 -0.63 1.77 -0.22 -0.10 0.00 0.00 175.22 176.16 3m1n h LYS 87 N 8.42 0.53 -6.27 0.44 3.64 -1.51 -3.46 116.57 118.35 3m1n h LYS 87 Ca -0.26 -0.03 -0.45 0.00 -1.27 0.00 0.00 60.65 58.63 3m1n h LYS 87 Cb 1.11 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 32.82 3m1n h LYS 87 CO 0.66 0.35 -0.86 -3.47 -2.27 0.00 0.00 179.45 173.86 3m1n n ASP 88 N -4.90 -0.96 0.01 4.20 2.03 -1.26 -4.81 116.55 110.85 3m1n n ASP 88 Ca 0.09 -0.91 0.05 0.00 0.52 0.00 0.00 54.79 54.54 3m1n n ASP 88 Cb 0.24 -3.59 0.44 0.00 -0.72 0.00 0.00 41.12 37.49 3m1n n ASP 88 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3m1n h GLU 89 N -1.85 0.51 0.00 -0.67 4.81 -1.89 -1.31 114.58 114.18 3m1n h GLU 89 Ca -0.62 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.58 3m1n h GLU 89 Cb 1.37 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3m1n h GLU 89 CO 0.59 0.34 0.00 0.93 -0.73 0.00 0.00 179.01 180.13 3m1n h GLU 90 N 0.52 0.00 -5.97 1.92 4.39 -1.98 -3.47 114.58 110.00 3m1n h GLU 90 Ca 0.15 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.43 3m1n h GLU 90 Cb -0.02 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 28.72 3m1n h GLU 90 CO -0.03 0.00 -0.70 -1.71 -1.16 0.00 0.00 179.01 175.41 3m1n n ASN 91 N -2.58 -5.99 0.00 1.42 5.15 -0.50 -4.87 115.26 107.90 3m1n n ASN 91 Ca 0.03 -0.60 0.00 0.00 -0.60 0.00 0.00 54.58 53.41 3m1n n ASN 91 Cb 0.34 -4.74 0.00 0.00 -0.53 0.00 0.00 39.78 34.85 3m1n n ASN 91 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3m1n n THR 92 N -4.93 0.00 -1.10 -0.44 -2.24 -1.26 -5.01 114.28 99.29 3m1n n THR 92 Ca 0.02 -0.39 -0.04 0.00 -2.27 0.00 0.00 64.05 61.38 3m1n n THR 92 Cb 0.55 0.89 -0.02 0.00 -2.10 0.00 0.00 70.33 69.66 3m1n n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m1n n GLY 93 N 1.30 0.57 0.36 3.38 0.00 -1.26 -4.90 105.19 104.64 3m1n n GLY 93 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.84 3m1n n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1n h ALA 94 N 0.00 1.43 -0.28 4.61 0.00 -1.95 -2.57 119.26 120.50 3m1n h ALA 94 Ca -0.07 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.87 3m1n h ALA 94 Cb 0.56 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3m1n h ALA 94 CO 0.11 0.51 0.33 0.38 0.00 0.00 0.00 179.25 180.58 3m1n h ASP 95 N 1.10 0.00 1.66 0.00 2.03 -1.91 -1.13 116.42 118.17 3m1n h ASP 95 Ca 0.31 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.60 3m1n h ASP 95 Cb -0.08 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.42 3m1n h ASP 95 CO -0.08 0.00 -0.08 0.03 -1.03 0.00 0.00 179.24 178.08 3m1n h ARG 96 N 0.00 0.00 -5.63 4.15 3.08 -1.77 -3.40 114.38 110.81 3m1n h ARG 96 Ca 0.13 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.58 3m1n h ARG 96 Cb 0.79 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.74 3m1n h ARG 96 CO -0.00 0.08 0.29 -0.51 -1.07 0.00 0.00 179.97 178.76 3m1n s LEU 97 N -6.28 4.07 0.30 3.04 1.43 -0.43 -0.19 118.68 120.62 3m1n s LEU 97 Ca 0.05 0.82 -0.14 0.00 -1.03 0.00 0.00 54.13 53.84 3m1n s LEU 97 Cb 0.06 -2.99 0.01 0.00 0.03 0.00 0.00 46.19 43.30 3m1n s LEU 97 CO 0.65 -0.44 0.59 0.00 0.23 0.00 0.00 176.35 177.38 3m1n s MET 98 N 2.66 1.79 0.67 1.70 0.23 -0.55 -4.20 119.30 121.61 3m1n s MET 98 Ca 0.30 -1.31 -0.11 0.00 -1.03 0.00 0.00 55.69 53.54 3m1n s MET 98 Cb -0.15 0.53 -0.01 0.00 -1.53 0.00 0.00 34.83 33.67 3m1n s MET 98 CO 0.08 -0.78 1.05 0.95 -2.03 0.00 0.00 175.02 174.29 3m1n s THR 99 N -3.52 4.22 0.26 3.16 -4.23 -0.40 -0.13 115.64 115.00 3m1n s THR 99 Ca 0.20 0.72 -0.03 0.00 -1.18 0.00 0.00 61.69 61.40 3m1n s THR 99 Cb -0.03 -3.54 0.24 0.00 1.34 0.00 0.00 72.50 70.52 3m1n s THR 99 CO 0.11 -0.94 1.84 -0.61 -0.54 0.00 0.00 174.62 174.48 3m1n h GLN 100 N -0.60 0.95 -0.71 3.99 5.75 -1.88 -0.77 115.11 121.83 3m1n h GLN 100 Ca -0.44 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 57.97 3m1n h GLN 100 Cb 1.20 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 29.51 3m1n h GLN 100 CO 0.58 0.63 0.30 -0.09 -2.65 0.00 0.00 178.83 177.61 3m1n h ARG 101 N 0.98 1.04 -0.47 1.69 2.43 -1.93 0.12 114.38 118.25 3m1n h ARG 101 Ca 0.42 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3m1n h ARG 101 Cb 0.30 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 3m1n h ARG 101 CO -0.21 0.85 0.29 0.00 -1.51 0.00 0.00 179.97 179.38 3m1n h LYS 103 N 0.63 0.46 -0.19 0.00 3.64 -0.82 -1.27 116.57 119.02 3m1n h LYS 103 Ca 0.17 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3m1n h LYS 103 Cb -0.02 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 3m1n h LYS 103 CO -0.03 0.30 -0.02 -0.44 -2.27 0.00 0.00 179.45 176.99 3m1n h ASP 104 N 0.47 -0.11 0.02 4.20 3.32 -0.40 0.72 116.42 124.65 3m1n h ASP 104 Ca 0.15 0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.11 3m1n h ASP 104 Cb -0.01 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3m1n h ASP 104 CO -0.06 -0.03 -0.45 0.11 -1.72 0.00 0.00 179.24 177.08 3m1n h LYS 105 N 0.04 0.51 -0.38 3.56 1.79 -1.12 -1.77 116.57 119.20 3m1n h LYS 105 Ca 0.09 -0.28 -0.11 0.00 -2.18 0.00 0.00 60.65 58.17 3m1n h LYS 105 Cb 0.12 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 3m1n h LYS 105 CO -0.17 0.86 -0.22 1.25 -1.08 0.00 0.00 179.45 180.09 3m1n h LEU 106 N 0.41 0.76 -0.54 2.94 5.85 -0.97 0.43 115.31 124.19 3m1n h LEU 106 Ca 0.03 -0.27 -0.14 0.00 0.84 0.00 0.00 57.88 58.33 3m1n h LEU 106 Cb 0.96 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 3m1n h LEU 106 CO 0.08 0.97 -0.34 0.78 -0.34 0.00 0.00 178.44 179.58 3m1n h ASN 107 N 0.66 0.84 -0.67 1.25 -0.26 -0.69 0.04 115.58 116.76 3m1n h ASN 107 Ca 0.09 -0.36 -0.01 0.00 -0.56 0.00 0.00 56.30 55.46 3m1n h ASN 107 Cb 0.72 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 37.72 3m1n h ASN 107 CO 0.06 1.11 0.39 0.00 -1.06 0.00 0.00 177.43 177.93 3m1n h ALA 108 N 0.94 0.85 -0.39 -0.83 0.00 -0.65 -2.83 119.26 116.35 3m1n h ALA 108 Ca 0.07 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3m1n h ALA 108 Cb 0.90 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3m1n h ALA 108 CO 0.08 0.34 -0.21 1.25 0.00 0.00 0.00 179.25 180.71 3m1n h LEU 109 N 0.91 0.78 -0.83 0.00 5.85 -0.55 -2.60 115.31 118.86 3m1n h LEU 109 Ca 0.24 -0.28 0.10 0.00 0.84 0.00 0.00 57.88 58.79 3m1n h LEU 109 Cb -0.01 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 40.73 3m1n h LEU 109 CO -0.04 0.97 0.47 0.00 -0.34 0.00 0.00 178.44 179.50 3m1n h ALA 110 N 1.08 1.19 0.06 1.25 0.00 -0.77 0.16 119.26 122.24 3m1n h ALA 110 Ca 0.10 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3m1n h ALA 110 Cb 0.72 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3m1n h ALA 110 CO 0.06 0.07 -0.10 0.82 0.00 0.00 0.00 179.25 180.10 3m1n h ILE 111 N 0.77 0.77 -0.09 0.00 2.04 -1.37 -2.98 117.51 116.64 3m1n h ILE 111 Ca 0.41 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 66.14 3m1n h ILE 111 Cb 0.41 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3m1n h ILE 111 CO -0.26 0.00 -0.51 0.77 0.00 0.00 0.00 178.15 178.15 3m1n h SER 112 N -0.20 0.27 -0.39 1.72 4.64 -1.00 -2.53 113.55 116.05 3m1n h SER 112 Ca 0.02 -0.13 0.03 0.00 -0.47 0.00 0.00 61.79 61.24 3m1n h SER 112 Cb 0.21 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 3m1n h SER 112 CO -0.06 0.73 0.19 0.58 -0.87 0.00 0.00 176.83 177.40 3m1n h VAL 113 N 0.19 0.96 -0.11 0.95 2.07 -0.71 -1.23 116.25 118.37 3m1n h VAL 113 Ca 0.01 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 67.29 3m1n h VAL 113 Cb 0.97 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3m1n h VAL 113 CO 0.08 0.07 -0.41 0.24 0.02 0.00 0.00 177.57 177.57 3m1n h MET 114 N 0.38 0.24 -0.51 1.57 2.86 -1.33 -2.21 114.93 115.93 3m1n h MET 114 Ca 0.17 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 3m1n h MET 114 Cb 0.09 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3m1n h MET 114 CO -0.13 0.62 -0.07 -0.91 1.06 0.00 0.00 176.91 177.48 3m1n h ASN 115 N 0.20 0.90 -0.17 1.22 2.35 -1.25 -3.26 115.58 115.57 3m1n h ASN 115 Ca 0.02 -0.27 -0.11 0.00 -0.55 0.00 0.00 56.30 55.39 3m1n h ASN 115 Cb 0.82 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.95 3m1n h ASN 115 CO 0.06 1.00 -0.32 -0.61 -1.65 0.00 0.00 177.43 175.91 3m1n h GLN 116 N 0.82 0.52 -3.48 0.81 5.75 -0.89 -3.42 115.11 115.23 3m1n h GLN 116 Ca 0.14 -0.33 -0.58 0.00 -0.15 0.00 0.00 58.65 57.73 3m1n h GLN 116 Cb 0.59 0.04 -0.40 0.00 1.07 0.00 0.00 27.48 28.78 3m1n h GLN 116 CO 0.04 0.94 -0.76 -1.58 -2.65 0.00 0.00 178.83 174.81 3m1n s TRP 117 N -4.06 1.58 0.39 3.99 0.51 -0.86 -5.12 118.94 115.38 3m1n s TRP 117 Ca -0.13 -1.66 -0.27 0.00 -2.12 0.00 0.00 56.10 51.92 3m1n s TRP 117 Cb 0.06 -1.64 -0.10 0.00 -0.81 0.00 0.00 33.47 30.98 3m1n s TRP 117 CO 0.80 -0.87 1.48 -2.14 -0.51 0.00 0.00 176.95 175.70 3m1n s PRO 118 N 1.66 4.01 0.00 4.98 0.02 -1.24 -1.41 135.00 143.02 3m1n s PRO 118 Ca 0.10 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.66 3m1n s PRO 118 Cb -0.17 -2.90 0.00 0.00 0.02 0.00 0.00 34.50 31.45 3m1n s PRO 118 CO -0.26 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.22 3m1n n GLY 119 N 0.48 2.17 3.89 0.52 0.00 -1.26 -5.01 105.19 105.98 3m1n n GLY 119 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3m1n n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m1n s VAL 120 N -2.90 5.37 0.29 1.61 1.01 -0.50 -5.02 120.40 120.26 3m1n s VAL 120 Ca 0.00 0.12 0.10 0.00 0.00 0.00 0.00 61.98 62.20 3m1n s VAL 120 Cb 0.00 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 3m1n s VAL 120 CO 0.00 0.42 -0.15 -0.54 0.00 0.00 0.00 175.10 174.83 3m1n s LYS 121 N -1.62 1.66 0.38 2.72 1.02 -1.26 -4.02 119.74 118.63 3m1n s LYS 121 Ca 0.24 -1.80 -0.26 0.00 0.02 0.00 0.00 55.97 54.18 3m1n s LYS 121 Cb -0.13 -1.61 -0.09 0.00 -0.52 0.00 0.00 37.83 35.48 3m1n s LYS 121 CO 0.14 0.23 1.17 -1.17 -0.92 0.00 0.00 175.35 174.80 3m1n s LEU 122 N -3.51 4.25 -0.05 3.17 2.96 -1.25 -0.89 118.68 123.35 3m1n s LEU 122 Ca 0.30 2.37 0.03 0.00 -0.22 0.00 0.00 54.13 56.60 3m1n s LEU 122 Cb -0.02 -3.95 0.01 0.00 0.50 0.00 0.00 46.19 42.73 3m1n s LEU 122 CO 0.14 -0.60 -0.13 -0.60 -1.32 0.00 0.00 176.35 173.84 3m1n s ARG 123 N -2.17 1.59 -0.26 1.98 3.52 -0.40 -0.99 118.95 122.22 3m1n s ARG 123 Ca 0.55 -0.43 -0.08 0.00 -0.13 0.00 0.00 55.73 55.64 3m1n s ARG 123 Cb -0.31 -1.35 -0.03 0.00 -1.56 0.00 0.00 34.95 31.70 3m1n s ARG 123 CO 0.40 0.09 0.09 0.08 -0.81 0.00 0.00 175.30 175.14 3m1n s VAL 124 N 0.46 4.39 -0.32 7.11 1.01 0.92 -1.04 120.40 132.93 3m1n s VAL 124 Ca -0.10 -0.19 0.22 0.00 0.00 0.00 0.00 61.98 61.91 3m1n s VAL 124 Cb -0.14 -3.08 -0.18 0.00 0.00 0.00 0.00 36.38 32.98 3m1n s VAL 124 CO 0.03 0.30 0.80 0.35 0.00 0.00 0.00 175.10 176.58 3m1n n THR 125 N 4.94 0.20 -3.64 3.92 -2.24 0.40 -1.31 114.28 116.55 3m1n n THR 125 Ca -0.16 -0.40 -0.11 0.00 -2.27 0.00 0.00 64.05 61.11 3m1n n THR 125 Cb 0.51 0.05 -0.07 0.00 -2.10 0.00 0.00 70.33 68.72 3m1n n THR 125 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3m1n s GLU 126 N -3.35 0.63 0.00 -0.78 2.12 -1.17 -4.72 118.70 111.43 3m1n s GLU 126 Ca -0.02 0.76 0.00 0.00 0.36 0.00 0.00 54.97 56.08 3m1n s GLU 126 Cb 0.13 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.83 3m1n s GLU 126 CO 0.85 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.90 3m1n n GLY 127 N 2.44 2.74 3.68 -1.50 0.00 -1.26 -0.12 105.19 111.17 3m1n n GLY 127 Ca -0.13 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 3m1n n GLY 127 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3m1n s TRP 128 N 2.92 2.06 -0.24 1.61 -0.00 -1.25 -4.74 118.94 119.29 3m1n s TRP 128 Ca 0.00 0.10 -0.06 0.00 -0.00 0.00 0.00 56.10 56.14 3m1n s TRP 128 Cb 0.00 -4.02 -0.02 0.00 -0.00 0.00 0.00 33.47 29.43 3m1n s TRP 128 CO 0.00 -4.28 0.03 0.34 -0.00 0.00 0.00 176.95 173.04 3m1n s ASP 129 N 3.08 4.83 0.00 5.86 2.15 0.14 -4.31 116.67 128.42 3m1n s ASP 129 Ca 0.77 -0.28 0.26 0.00 0.43 0.00 0.00 52.55 53.73 3m1n s ASP 129 Cb -0.39 -1.86 0.68 0.00 -0.30 0.00 0.00 42.92 41.05 3m1n s ASP 129 CO 0.34 -0.03 1.52 -0.62 -0.17 0.00 0.00 175.17 176.20 3m1n n GLU 130 N 4.88 0.75 -0.04 4.34 1.02 -1.26 -4.49 120.64 125.83 3m1n n GLU 130 Ca -0.17 -0.45 0.01 0.00 -0.02 0.00 0.00 57.16 56.53 3m1n n GLU 130 Cb 0.51 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.48 3m1n n GLU 130 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3m1n n ASP 131 N -0.73 2.16 -2.67 1.62 9.92 -1.26 -5.02 116.55 120.56 3m1n n ASP 131 Ca 0.11 -1.92 -0.18 0.00 -0.53 0.00 0.00 54.79 52.27 3m1n n ASP 131 Cb 0.35 -0.06 0.04 0.00 -0.64 0.00 0.00 41.12 40.82 3m1n n ASP 131 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3m1n n GLY 132 N -0.19 -0.26 0.09 0.44 0.00 -1.26 -4.92 105.19 99.09 3m1n n GLY 132 Ca 0.03 -0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.10 3m1n n GLY 132 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3m1n n HIS 133 N -4.37 0.05 -2.08 1.61 8.25 -1.26 -4.37 115.22 113.05 3m1n n HIS 133 Ca -0.05 -0.02 0.05 0.00 -0.26 0.00 0.00 57.72 57.43 3m1n n HIS 133 Cb 0.58 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.77 3m1n n HIS 133 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3m1n n HIS 134 N -0.48 0.00 -3.80 4.41 8.25 -1.26 -5.12 115.22 117.21 3m1n n HIS 134 Ca 0.08 -0.80 0.00 0.00 -0.26 0.00 0.00 57.72 56.74 3m1n n HIS 134 Cb 0.07 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.01 3m1n n HIS 134 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3m1n n SER 135 N -0.18 0.00 0.06 0.41 3.41 -1.26 -4.54 113.62 111.52 3m1n n SER 135 Ca 0.10 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.63 3m1n n SER 135 Cb 0.93 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.75 3m1n n SER 135 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3m1n h GLU 136 N 0.00 0.04 -4.54 4.33 3.07 -2.00 -3.44 114.58 112.04 3m1n h GLU 136 Ca 0.00 -0.07 -0.34 0.00 -0.50 0.00 0.00 59.36 58.44 3m1n h GLU 136 Cb 0.00 0.03 -0.27 0.00 -0.84 0.00 0.00 28.75 27.67 3m1n h GLU 136 CO 0.00 1.01 -0.76 -1.21 -1.40 0.00 0.00 179.01 176.65 3m1n s GLU 137 N -2.70 0.56 -0.27 2.33 2.02 -1.26 -5.05 118.70 114.33 3m1n s GLU 137 Ca -0.00 -0.37 -0.25 0.00 0.02 0.00 0.00 54.97 54.37 3m1n s GLU 137 Cb 0.09 -0.51 0.10 0.00 0.10 0.00 0.00 34.13 33.91 3m1n s GLU 137 CO 0.83 0.13 0.88 0.45 0.02 0.00 0.00 175.26 177.57 3m1n s SER 138 N -0.48 -0.60 0.37 -0.19 0.15 -1.26 -4.99 113.70 106.70 3m1n s SER 138 Ca 0.00 1.14 0.25 0.00 0.70 0.00 0.00 55.95 58.04 3m1n s SER 138 Cb -0.04 1.15 1.32 0.00 -1.71 0.00 0.00 66.02 66.73 3m1n s SER 138 CO -0.00 -0.21 1.77 -0.07 1.20 0.00 0.00 173.24 175.94 3m1n h LEU 139 N 4.54 0.00 -1.81 3.45 3.38 -1.94 -1.52 115.31 121.41 3m1n h LEU 139 Ca -0.28 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 3m1n h LEU 139 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 3m1n h LEU 139 CO 0.09 0.00 -0.11 0.45 0.09 0.00 0.00 178.44 178.95 3m1n h HIS 140 N 0.00 0.00 0.00 1.13 3.86 -1.85 -2.22 115.15 116.07 3m1n h HIS 140 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3m1n h HIS 140 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 3m1n h HIS 140 CO 0.00 0.11 0.00 0.66 0.86 0.00 0.00 177.93 179.56 3m1n n TYR 141 N -3.48 0.00 -1.60 2.45 4.01 -0.57 -0.69 117.16 117.29 3m1n n TYR 141 Ca -0.01 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.78 3m1n n TYR 141 Cb 0.27 -0.27 0.08 0.00 -0.31 0.00 0.00 39.34 39.11 3m1n n TYR 141 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 3m1n n GLU 142 N -1.27 0.69 -1.68 -0.72 0.28 -0.96 -0.42 120.64 116.56 3m1n n GLU 142 Ca 0.14 -1.96 -0.11 0.00 -0.16 0.00 0.00 57.16 55.07 3m1n n GLU 142 Cb 0.22 -0.99 -0.03 0.00 1.43 0.00 0.00 31.44 32.07 3m1n n GLU 142 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3m1n n GLY 143 N -0.68 0.69 0.46 -1.84 0.00 -1.17 -4.73 105.19 97.92 3m1n n GLY 143 Ca 0.09 -0.48 0.04 0.00 0.00 0.00 0.00 46.02 45.67 3m1n n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m1n n ARG 144 N -2.42 2.48 -3.81 1.61 1.74 -0.88 -1.27 116.66 114.12 3m1n n ARG 144 Ca -0.12 -1.78 -0.13 0.00 -0.77 0.00 0.00 57.85 55.06 3m1n n ARG 144 Cb 0.46 -1.20 -0.13 0.00 -1.02 0.00 0.00 32.46 30.57 3m1n n ARG 144 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3m1n s ALA 145 N -0.95 -0.33 0.07 7.54 0.00 -1.20 -1.24 121.76 125.65 3m1n s ALA 145 Ca 0.16 0.46 0.07 0.00 0.00 0.00 0.00 51.96 52.66 3m1n s ALA 145 Cb 0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 3m1n s ALA 145 CO 0.12 -0.09 -0.18 0.14 0.00 0.00 0.00 175.76 175.75 3m1n s VAL 146 N 0.33 1.48 -0.15 0.00 -7.23 0.12 -4.35 120.40 110.60 3m1n s VAL 146 Ca -0.02 -1.34 -0.07 0.00 -1.81 0.00 0.00 61.98 58.74 3m1n s VAL 146 Cb -0.03 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.52 3m1n s VAL 146 CO -0.01 -0.03 0.09 -1.81 -0.31 0.00 0.00 175.10 173.02 3m1n s ASP 147 N -1.60 5.93 0.08 4.85 1.01 0.83 -0.61 116.67 127.16 3m1n s ASP 147 Ca 0.04 0.25 0.03 0.00 0.71 0.00 0.00 52.55 53.58 3m1n s ASP 147 Cb -0.09 -1.95 -0.03 0.00 1.01 0.00 0.00 42.92 41.86 3m1n s ASP 147 CO 0.03 0.28 -0.09 0.27 0.21 0.00 0.00 175.17 175.87 3m1n s ILE 148 N -0.29 0.79 0.36 0.77 -4.36 0.55 -0.46 121.20 118.56 3m1n s ILE 148 Ca 0.10 -1.52 0.05 0.00 -0.26 0.00 0.00 60.65 59.02 3m1n s ILE 148 Cb -0.12 -1.19 -0.03 0.00 1.25 0.00 0.00 42.46 42.37 3m1n s ILE 148 CO 0.01 -0.55 0.21 0.42 0.24 0.00 0.00 174.94 175.27 3m1n s THR 149 N -2.31 0.26 0.47 8.37 -4.23 -0.21 -1.27 115.64 116.73 3m1n s THR 149 Ca 0.02 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.44 3m1n s THR 149 Cb -0.04 -2.42 -0.05 0.00 1.34 0.00 0.00 72.50 71.33 3m1n s THR 149 CO -0.01 0.00 0.83 0.42 -0.54 0.00 0.00 174.62 175.33 3m1n s THR 150 N -3.36 4.80 0.19 3.99 -4.23 -1.26 -1.27 115.64 114.49 3m1n s THR 150 Ca 0.33 0.55 0.29 0.00 -1.18 0.00 0.00 61.69 61.68 3m1n s THR 150 Cb 0.02 -3.80 0.31 0.00 1.34 0.00 0.00 72.50 70.37 3m1n s THR 150 CO 0.21 -0.75 1.95 0.77 -0.54 0.00 0.00 174.62 176.25 3m1n h SER 151 N 0.60 0.00 0.95 3.99 4.64 -1.32 -1.32 113.55 121.10 3m1n h SER 151 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3m1n h SER 151 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3m1n h SER 151 CO 0.63 0.12 -0.06 -0.90 -0.87 0.00 0.00 176.83 175.74 3m1n n ASP 152 N -3.31 0.08 -2.06 4.97 5.75 -1.26 -4.93 116.55 115.79 3m1n n ASP 152 Ca -0.00 0.41 -0.17 0.00 -0.01 0.00 0.00 54.79 55.02 3m1n n ASP 152 Cb 0.34 -0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 39.98 3m1n n ASP 152 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3m1n n ARG 153 N -1.52 -1.73 -2.54 0.11 1.74 -0.50 -4.91 116.66 107.30 3m1n n ARG 153 Ca 0.07 0.87 -0.42 0.00 -0.77 0.00 0.00 57.85 57.61 3m1n n ARG 153 Cb 0.34 -5.38 -0.03 0.00 -1.02 0.00 0.00 32.46 26.37 3m1n n ARG 153 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3m1n s ASP 154 N -2.18 6.28 0.58 0.55 2.15 -1.26 -4.90 116.67 117.89 3m1n s ASP 154 Ca 0.00 -0.12 0.35 0.00 0.43 0.00 0.00 52.55 53.21 3m1n s ASP 154 Cb 0.00 -2.56 1.78 0.00 -0.30 0.00 0.00 42.92 41.85 3m1n s ASP 154 CO 0.00 -1.67 2.16 0.03 -0.17 0.00 0.00 175.17 175.52 3m1n h ARG 155 N 9.96 0.00 0.00 4.34 3.08 -1.91 -1.65 114.38 128.20 3m1n h ARG 155 Ca -0.26 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 3m1n h ARG 155 Cb 1.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 3m1n h ARG 155 CO 1.23 0.04 -0.03 0.66 -1.07 0.00 0.00 179.97 180.80 3m1n h SER 156 N 0.00 0.00 1.01 7.04 4.64 -1.95 -2.44 113.55 121.85 3m1n h SER 156 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m1n h SER 156 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3m1n h SER 156 CO 0.01 0.03 0.00 0.29 -0.87 0.00 0.00 176.83 176.29 3m1n n LYS 157 N -3.34 0.11 0.10 4.77 5.02 -0.62 -4.41 118.16 119.79 3m1n n LYS 157 Ca -0.02 0.17 -0.05 0.00 -2.02 0.00 0.00 58.31 56.39 3m1n n LYS 157 Cb 0.16 -1.65 0.08 0.00 -0.02 0.00 0.00 35.03 33.60 3m1n n LYS 157 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3m1n h TYR 158 N 0.00 0.21 -0.67 2.13 -1.99 -1.59 -0.20 116.97 114.86 3m1n h TYR 158 Ca 0.00 -0.10 0.09 0.00 2.00 0.00 0.00 58.73 60.72 3m1n h TYR 158 Cb 0.51 -0.03 -0.07 0.00 2.00 0.00 0.00 36.73 39.14 3m1n h TYR 158 CO 0.00 0.82 0.31 0.78 -0.00 0.00 0.00 178.16 180.07 3m1n h GLY 159 N 1.78 0.98 1.16 3.88 0.00 -1.77 -0.21 103.07 108.89 3m1n h GLY 159 Ca -0.02 -0.19 -0.23 0.00 0.00 0.00 0.00 47.33 46.89 3m1n h GLY 159 CO 0.11 0.04 -0.85 1.98 0.00 0.00 0.00 176.54 177.82 3m1n h MET 160 N 0.54 0.75 -0.79 4.80 1.85 -1.74 -0.99 114.93 119.35 3m1n h MET 160 Ca 0.33 -0.67 0.15 0.00 -0.61 0.00 0.00 59.70 58.90 3m1n h MET 160 Cb 0.36 0.16 -0.10 0.00 0.43 0.00 0.00 31.60 32.45 3m1n h MET 160 CO -0.27 1.27 0.33 1.25 -0.40 0.00 0.00 176.91 179.09 3m1n h LEU 161 N 0.47 0.33 -0.55 3.39 5.85 -0.87 0.74 115.31 124.67 3m1n h LEU 161 Ca -0.08 0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 3m1n h LEU 161 Cb 1.49 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.58 3m1n h LEU 161 CO 0.17 0.11 0.00 0.00 -0.34 0.00 0.00 178.44 178.39 3m1n h ALA 162 N 1.57 0.74 -0.32 1.25 0.00 -0.90 -0.86 119.26 120.74 3m1n h ALA 162 Ca 0.44 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3m1n h ALA 162 Cb 0.68 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 3m1n h ALA 162 CO -0.41 0.56 -0.04 -0.09 0.00 0.00 0.00 179.25 179.27 3m1n h ARG 163 N 0.84 0.04 -0.96 0.00 9.65 -0.49 -1.13 114.38 122.34 3m1n h ARG 163 Ca 0.16 -0.00 0.07 0.00 -1.10 0.00 0.00 59.98 59.10 3m1n h ARG 163 Cb 0.53 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 29.04 3m1n h ARG 163 CO 0.03 0.03 0.62 -0.07 2.80 0.00 0.00 179.97 183.37 3m1n h LEU 164 N 0.04 0.96 -0.40 3.80 3.38 -0.32 -1.61 115.31 121.16 3m1n h LEU 164 Ca 0.15 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3m1n h LEU 164 Cb 0.22 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3m1n h LEU 164 CO -0.29 0.61 0.19 0.00 0.09 0.00 0.00 178.44 179.04 3m1n h ALA 165 N 1.49 0.52 0.08 1.53 0.00 -0.77 0.94 119.26 123.05 3m1n h ALA 165 Ca 0.42 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.24 3m1n h ALA 165 Cb 0.21 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3m1n h ALA 165 CO -0.16 0.09 -0.37 0.28 0.00 0.00 0.00 179.25 179.08 3m1n h VAL 166 N 0.51 0.23 -0.01 0.00 2.07 -0.61 -2.78 116.25 115.67 3m1n h VAL 166 Ca 0.14 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 3m1n h VAL 166 Cb 0.13 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3m1n h VAL 166 CO -0.02 0.00 -0.16 -0.33 0.02 0.00 0.00 177.57 177.09 3m1n h GLU 167 N -0.58 0.01 0.00 1.57 4.39 -1.18 -0.93 114.58 117.86 3m1n h GLU 167 Ca 0.04 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3m1n h GLU 167 Cb 0.63 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3m1n h GLU 167 CO -0.24 0.17 0.00 0.00 -1.16 0.00 0.00 179.01 177.77 3m1n n ALA 168 N -2.51 1.66 0.00 3.43 0.00 0.31 -4.92 120.51 118.49 3m1n n ALA 168 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3m1n n ALA 168 Cb 0.23 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3m1n n ALA 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m1n n GLY 169 N -0.01 0.87 3.65 0.00 0.00 -0.35 -4.78 105.19 104.57 3m1n n GLY 169 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 3m1n n GLY 169 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3m1n n PHE 170 N -1.35 1.90 0.22 1.61 3.72 -1.06 -4.89 117.46 117.61 3m1n n PHE 170 Ca 0.00 0.56 0.12 0.00 -0.05 0.00 0.00 57.45 58.09 3m1n n PHE 170 Cb 0.00 -2.38 0.22 0.00 -0.94 0.00 0.00 39.48 36.38 3m1n n PHE 170 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3m1n h ASP 171 N 3.01 0.00 -3.85 4.37 3.32 -1.49 -3.44 116.42 118.34 3m1n h ASP 171 Ca -0.44 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.48 3m1n h ASP 171 Cb 1.30 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.61 3m1n h ASP 171 CO 0.67 0.01 -0.28 0.86 -1.72 0.00 0.00 179.24 178.78 3m1n s TRP 172 N -3.25 -0.41 -0.04 4.55 -0.00 -0.94 -4.17 118.94 114.67 3m1n s TRP 172 Ca 0.06 1.00 0.00 0.00 -0.00 0.00 0.00 56.10 57.17 3m1n s TRP 172 Cb 0.05 0.14 0.02 0.00 -0.00 0.00 0.00 33.47 33.69 3m1n s TRP 172 CO 0.66 -0.20 -0.02 0.08 -0.00 0.00 0.00 176.95 177.47 3m1n s VAL 173 N 0.24 0.36 -0.07 5.86 1.01 -0.11 -1.14 120.40 126.55 3m1n s VAL 173 Ca -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 3m1n s VAL 173 Cb -0.03 -0.44 0.03 0.00 0.00 0.00 0.00 36.38 35.94 3m1n s VAL 173 CO 0.00 0.20 0.03 -0.47 0.00 0.00 0.00 175.10 174.86 3m1n s TYR 174 N 1.15 0.39 -1.34 5.22 5.04 0.43 -0.67 117.35 127.58 3m1n s TYR 174 Ca -0.08 -0.01 -0.17 0.00 -2.44 0.00 0.00 57.07 54.37 3m1n s TYR 174 Cb -0.14 -0.66 0.03 0.00 0.35 0.00 0.00 41.96 41.54 3m1n s TYR 174 CO -0.01 -0.29 2.00 0.98 -1.34 0.00 0.00 175.55 176.89 3m1n n TYR 175 N 5.22 3.83 0.02 4.97 4.19 -0.02 -1.14 117.16 134.23 3m1n n TYR 175 Ca -0.05 -2.77 -0.15 0.00 3.31 0.00 0.00 57.90 58.24 3m1n n TYR 175 Cb 0.50 -2.54 -0.04 0.00 0.49 0.00 0.00 39.34 37.75 3m1n n TYR 175 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 3m1n h GLU 176 N 6.94 0.61 -3.86 2.98 4.81 -1.86 0.11 114.58 124.32 3m1n h GLU 176 Ca 0.49 -0.54 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 3m1n h GLU 176 Cb 0.75 0.13 -0.19 0.00 0.63 0.00 0.00 28.75 30.07 3m1n h GLU 176 CO 1.69 1.16 -0.59 0.45 -0.73 0.00 0.00 179.01 180.99 3m1n s SER 177 N -7.09 0.21 0.60 1.04 0.15 -1.12 -4.80 113.70 102.69 3m1n s SER 177 Ca -0.08 -0.52 0.29 0.00 0.70 0.00 0.00 55.95 56.34 3m1n s SER 177 Cb 0.09 0.18 1.62 0.00 -1.71 0.00 0.00 66.02 66.20 3m1n s SER 177 CO 0.88 -0.44 2.03 0.11 1.20 0.00 0.00 173.24 177.03 3m1n h LYS 178 N 3.99 0.00 0.00 5.44 1.57 -2.00 -2.90 116.57 122.68 3m1n h LYS 178 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3m1n h LYS 178 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3m1n h LYS 178 CO 0.48 0.00 -0.74 0.00 -0.57 0.00 0.00 179.45 178.62 3m1n h ALA 179 N 1.64 0.53 -2.58 3.86 0.00 -1.98 -3.47 119.26 117.26 3m1n h ALA 179 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.11 3m1n h ALA 179 Cb 0.71 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.38 3m1n h ALA 179 CO -0.00 0.00 0.38 -3.38 0.00 0.00 0.00 179.25 176.25 3m1n s HIS 180 N -3.21 -0.33 -0.13 0.00 -3.43 -1.09 -4.80 115.29 102.30 3m1n s HIS 180 Ca 0.05 0.09 -0.02 0.00 -0.80 0.00 0.00 55.06 54.38 3m1n s HIS 180 Cb 0.13 0.59 -0.03 0.00 -1.43 0.00 0.00 32.58 31.84 3m1n s HIS 180 CO 0.74 -0.78 -0.05 0.42 -2.00 0.00 0.00 174.74 173.07 3m1n s ILE 181 N -3.43 3.79 -0.23 -5.38 -1.09 -0.40 -2.79 121.20 111.67 3m1n s ILE 181 Ca 0.06 -0.41 -0.14 0.00 -2.23 0.00 0.00 60.65 57.93 3m1n s ILE 181 Cb -0.02 -2.62 -0.04 0.00 -1.58 0.00 0.00 42.46 38.20 3m1n s ILE 181 CO -0.05 0.53 0.34 -2.28 -1.23 0.00 0.00 174.94 172.25 3m1n s HIS 182 N -0.01 3.32 0.00 3.97 5.65 -0.29 -0.33 115.29 127.60 3m1n s HIS 182 Ca 0.00 0.47 0.07 0.00 0.25 0.00 0.00 55.06 55.85 3m1n s HIS 182 Cb -0.13 -2.49 -0.02 0.00 -1.18 0.00 0.00 32.58 28.76 3m1n s HIS 182 CO 0.03 -0.06 -0.20 0.00 -0.65 0.00 0.00 174.74 173.85 3m1n s SER 184 N -0.71 0.61 0.05 0.00 1.04 -0.29 -0.70 113.70 113.69 3m1n s SER 184 Ca 0.08 -1.49 0.02 0.00 0.48 0.00 0.00 55.95 55.04 3m1n s SER 184 Cb -0.08 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 3m1n s SER 184 CO 0.00 -0.92 -0.07 0.68 0.98 0.00 0.00 173.24 173.90 3m1n s VAL 185 N -3.92 0.55 0.86 5.02 -7.23 -0.37 -1.19 120.40 114.12 3m1n s VAL 185 Ca 0.39 -1.22 -0.13 0.00 -1.81 0.00 0.00 61.98 59.21 3m1n s VAL 185 Cb 0.05 -0.78 0.07 0.00 0.56 0.00 0.00 36.38 36.28 3m1n s VAL 185 CO 0.17 -0.47 0.85 0.29 -0.31 0.00 0.00 175.10 175.63 3m1n n LYS 186 N 1.21 -0.08 -2.16 4.82 5.02 -1.25 -4.87 118.16 120.85 3m1n n LYS 186 Ca -0.21 0.04 -0.33 0.00 -2.02 0.00 0.00 58.31 55.79 3m1n n LYS 186 Cb 0.56 -2.16 -0.00 0.00 -0.02 0.00 0.00 35.03 33.40 3m1n n LYS 186 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m1n s ALA 187 N -2.28 2.78 0.00 7.82 0.00 -1.26 -4.89 121.76 123.93 3m1n s ALA 187 Ca 0.66 0.44 0.00 0.00 0.00 0.00 0.00 51.96 53.06 3m1n s ALA 187 Cb -0.26 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.62 3m1n s ALA 187 CO 0.58 -0.69 0.00 0.39 0.00 0.00 0.00 175.76 176.05