#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nmi n GLU -4 N 0.00 0.83 -3.79 -2.82 0.28 -1.26 -5.04 120.64 108.85 1nmi n GLU -4 Ca 0.00 0.35 -0.36 0.00 -0.16 0.00 0.00 57.16 56.99 1nmi n GLU -4 Cb 0.00 -2.50 -0.10 0.00 1.43 0.00 0.00 31.44 30.27 1nmi n GLU -4 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1nmi s PHE -3 N -1.60 3.28 0.41 -1.84 5.36 -1.26 -5.12 117.98 117.20 1nmi s PHE -3 Ca 0.80 0.11 0.04 0.00 -0.96 0.00 0.00 56.93 56.92 1nmi s PHE -3 Cb -0.35 -2.20 -0.00 0.00 -0.34 0.00 0.00 43.02 40.13 1nmi s PHE -3 CO 0.43 0.06 0.59 0.15 -1.46 0.00 0.00 175.22 175.00 1nmi s LYS -2 N 0.84 3.02 -0.13 10.12 -0.14 -1.26 -5.12 119.74 127.08 1nmi s LYS -2 Ca 0.06 -0.79 -0.29 0.00 -1.36 0.00 0.00 55.97 53.58 1nmi s LYS -2 Cb -0.13 -2.68 0.08 0.00 -1.68 0.00 0.00 37.83 33.42 1nmi s LYS -2 CO 0.03 -0.17 0.73 0.00 -0.76 0.00 0.00 175.35 175.17 1nmi s ALA -1 N -2.40 -1.79 -1.00 5.17 0.00 -1.26 -4.63 121.76 115.85 1nmi s ALA -1 Ca 0.48 1.55 -0.15 0.00 0.00 0.00 0.00 51.96 53.84 1nmi s ALA -1 Cb -0.10 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.62 1nmi s ALA -1 CO 0.35 -0.35 0.64 0.41 0.00 0.00 0.00 175.76 176.81 1nmi n GLY 1 N 1.42 -1.11 0.30 0.00 0.00 -1.26 -4.92 105.19 99.62 1nmi n GLY 1 Ca -0.17 0.49 -0.05 0.00 0.00 0.00 0.00 46.02 46.29 1nmi n GLY 1 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nmi n SER 2 N -2.41 1.29 0.11 1.61 2.88 -1.26 -4.57 113.62 111.26 1nmi n SER 2 Ca -0.22 0.21 -0.01 0.00 -1.33 0.00 0.00 58.87 57.52 1nmi n SER 2 Cb 0.63 -0.58 -0.01 0.00 -0.75 0.00 0.00 64.21 63.50 1nmi n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nmi h ALA 3 N -0.96 0.57 -6.79 -1.46 0.00 -1.91 -3.48 119.26 105.24 1nmi h ALA 3 Ca 0.00 -0.62 -0.56 0.00 0.00 0.00 0.00 54.91 53.74 1nmi h ALA 3 Cb 0.56 -0.11 -0.18 0.00 0.00 0.00 0.00 17.79 18.07 1nmi h ALA 3 CO 0.00 0.85 -0.89 0.36 0.00 0.00 0.00 179.25 179.57 1nmi n LYS 4 N -3.29 -2.46 -0.00 0.00 0.00 -1.26 -4.88 118.16 106.27 1nmi n LYS 4 Ca 0.01 0.30 0.08 0.00 -0.00 0.00 0.00 58.31 58.70 1nmi n LYS 4 Cb 0.80 -4.55 -0.11 0.00 -0.00 0.00 0.00 35.03 31.17 1nmi n LYS 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1nmi n LYS 5 N -4.40 1.17 -0.32 -1.58 5.02 -1.26 -4.78 118.16 112.02 1nmi n LYS 5 Ca -0.13 -0.07 0.13 0.00 -2.02 0.00 0.00 58.31 56.22 1nmi n LYS 5 Cb 0.59 -1.31 0.27 0.00 -0.02 0.00 0.00 35.03 34.56 1nmi n LYS 5 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nmi n GLY 6 N 1.47 -1.27 0.18 0.72 0.00 -1.26 -0.01 105.19 105.01 1nmi n GLY 6 Ca 0.00 0.91 0.14 0.00 0.00 0.00 0.00 46.02 47.07 1nmi n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nmi h ALA 7 N 1.85 1.00 0.00 4.61 0.00 -1.87 0.80 119.26 125.65 1nmi h ALA 7 Ca 0.56 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 55.12 1nmi h ALA 7 Cb 1.14 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 1nmi h ALA 7 CO -0.88 0.00 -2.31 2.41 0.00 0.00 0.00 179.25 178.47 1nmi n THR 8 N -2.53 1.31 0.00 0.00 -1.04 0.98 -3.62 114.28 109.39 1nmi n THR 8 Ca 0.02 -0.76 -0.10 0.00 -2.04 0.00 0.00 64.05 61.18 1nmi n THR 8 Cb 0.28 -0.65 -0.03 0.00 -1.82 0.00 0.00 70.33 68.11 1nmi n THR 8 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1nmi h LEU 9 N 0.00 -0.72 -0.46 -4.42 3.38 -0.23 -2.26 115.31 110.59 1nmi h LEU 9 Ca -0.52 0.12 0.09 0.00 0.09 0.00 0.00 57.88 57.66 1nmi h LEU 9 Cb 2.11 0.32 -0.10 0.00 0.09 0.00 0.00 40.66 43.09 1nmi h LEU 9 CO 0.01 -0.28 -0.21 0.15 0.09 0.00 0.00 178.44 178.19 1nmi h PHE 10 N -0.30 -0.53 0.00 1.13 3.04 -1.02 0.22 116.94 119.48 1nmi h PHE 10 Ca 0.10 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1nmi h PHE 10 Cb 0.45 0.31 0.00 0.00 2.56 0.00 0.00 35.95 39.26 1nmi h PHE 10 CO -0.34 -0.29 0.10 0.87 -2.02 0.00 0.00 178.31 176.63 1nmi h LYS 11 N -0.11 0.00 0.00 1.11 1.57 -1.51 0.40 116.57 118.03 1nmi h LYS 11 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1nmi h LYS 11 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1nmi h LYS 11 CO -0.54 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 178.59 1nmi n THR 12 N -2.54 0.83 0.11 -0.16 -2.24 0.56 -4.55 114.28 106.29 1nmi n THR 12 Ca -0.02 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 1nmi n THR 12 Cb 0.14 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1nmi n THR 12 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nmi n ARG 13 N -0.42 0.00 0.03 -0.78 3.00 -0.04 -4.93 116.66 113.53 1nmi n ARG 13 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.85 57.66 1nmi n ARG 13 Cb 0.21 -0.15 -0.14 0.00 0.00 0.00 0.00 32.46 32.38 1nmi n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1nmi h LEU 15 N 0.07 0.00 -1.00 0.00 5.85 -1.19 0.38 115.31 119.41 1nmi h LEU 15 Ca -0.33 0.00 0.29 0.00 0.84 0.00 0.00 57.88 58.67 1nmi h LEU 15 Cb 2.04 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.93 1nmi h LEU 15 CO 0.13 0.00 0.57 1.56 -0.34 0.00 0.00 178.44 180.36 1nmi h GLN 16 N 0.00 0.42 0.00 1.25 4.20 -1.83 -3.36 115.11 115.80 1nmi h GLN 16 Ca 0.09 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1nmi h GLN 16 Cb 0.54 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1nmi h GLN 16 CO -0.00 0.28 -0.49 0.00 -0.67 0.00 0.00 178.83 177.95 1nmi s HIS 18 N -1.38 1.59 0.14 0.00 3.76 0.70 -0.21 115.29 119.89 1nmi s HIS 18 Ca 0.00 -1.25 0.04 0.00 -0.15 0.00 0.00 55.06 53.71 1nmi s HIS 18 Cb 0.00 -0.92 -0.04 0.00 1.11 0.00 0.00 32.58 32.73 1nmi s HIS 18 CO 0.00 -0.39 -0.10 0.95 -0.85 0.00 0.00 174.74 174.35 1nmi s THR 19 N -3.65 1.15 -0.37 1.30 -4.23 -1.26 -3.86 115.64 104.72 1nmi s THR 19 Ca 0.36 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.89 1nmi s THR 19 Cb 0.07 -1.79 0.05 0.00 1.34 0.00 0.00 72.50 72.17 1nmi s THR 19 CO 0.15 -0.72 0.80 1.33 -0.54 0.00 0.00 174.62 175.64 1nmi n VAL 20 N -0.10 0.40 -1.00 2.29 0.24 -1.26 -0.53 118.33 118.37 1nmi n VAL 20 Ca -0.11 -0.70 -0.32 0.00 -2.04 0.00 0.00 64.34 61.17 1nmi n VAL 20 Cb 0.60 0.84 0.13 0.00 -1.47 0.00 0.00 33.84 33.95 1nmi n VAL 20 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1nmi s GLU 21 N -0.57 1.55 -0.67 7.34 2.56 -1.26 -4.40 118.70 123.24 1nmi s GLU 21 Ca 0.05 1.53 -0.26 0.00 0.00 0.00 0.00 54.97 56.30 1nmi s GLU 21 Cb 0.03 -1.79 -0.06 0.00 2.00 0.00 0.00 34.13 34.31 1nmi s GLU 21 CO 0.05 -2.24 2.13 0.21 -0.56 0.00 0.00 175.26 174.85 1nmi s LYS 22 N -4.50 2.28 -1.23 4.30 2.20 -1.26 -0.65 119.74 120.87 1nmi s LYS 22 Ca 0.68 0.62 -0.07 0.00 -0.36 0.00 0.00 55.97 56.83 1nmi s LYS 22 Cb -0.23 -4.66 0.01 0.00 -1.51 0.00 0.00 37.83 31.44 1nmi s LYS 22 CO 0.54 -3.34 0.88 0.41 -0.36 0.00 0.00 175.35 173.49 1nmi n GLY 23 N 6.23 -0.35 3.51 5.54 0.00 -1.26 -4.99 105.19 113.87 1nmi n GLY 23 Ca 0.34 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 1nmi n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nmi s GLY 24 N -3.12 1.56 0.29 -0.02 0.00 0.18 -4.92 107.32 101.29 1nmi s GLY 24 Ca 0.44 -0.04 -0.29 0.00 0.00 0.00 0.00 44.72 44.83 1nmi s GLY 24 CO 0.54 0.65 1.41 2.56 0.00 0.00 0.00 173.10 178.26 1nmi s PRO 25 N -4.49 4.27 -1.23 2.90 0.04 -1.26 -4.50 135.00 130.73 1nmi s PRO 25 Ca 0.68 2.32 -0.13 0.00 0.04 0.00 0.00 61.00 63.91 1nmi s PRO 25 Cb -0.25 -3.08 -0.06 0.00 0.04 0.00 0.00 34.50 31.16 1nmi s PRO 25 CO 0.64 -0.37 2.32 0.72 0.04 0.00 0.00 177.00 180.35 1nmi n HIS 26 N 1.59 2.41 -0.07 0.56 8.25 -1.26 -4.14 115.22 122.57 1nmi n HIS 26 Ca 0.04 -2.52 -0.06 0.00 -0.26 0.00 0.00 57.72 54.92 1nmi n HIS 26 Cb 0.40 -2.16 -0.04 0.00 1.12 0.00 0.00 29.99 29.32 1nmi n HIS 26 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1nmi h LYS 27 N 6.25 -0.14 0.00 -0.41 3.64 -1.86 -3.40 116.57 120.65 1nmi h LYS 27 Ca 0.60 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.99 1nmi h LYS 27 Cb 0.45 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1nmi h LYS 27 CO 1.79 -0.10 -0.79 0.28 -2.27 0.00 0.00 179.45 178.36 1nmi n VAL 28 N -3.81 0.16 -2.94 2.00 0.31 0.71 -5.01 118.33 109.75 1nmi n VAL 28 Ca -0.01 0.05 -0.11 0.00 -0.01 0.00 0.00 64.34 64.26 1nmi n VAL 28 Cb 0.14 -1.44 0.04 0.00 -0.91 0.00 0.00 33.84 31.67 1nmi n VAL 28 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nmi n GLY 29 N 2.95 1.76 3.78 2.92 0.00 0.46 -5.03 105.19 112.03 1nmi n GLY 29 Ca 0.00 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.57 1nmi n GLY 29 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nmi s PRO 30 N -3.54 0.22 0.50 1.61 0.04 -1.26 -4.39 135.00 128.17 1nmi s PRO 30 Ca 0.35 -0.08 -0.19 0.00 0.04 0.00 0.00 61.00 61.12 1nmi s PRO 30 Cb -0.03 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.67 1nmi s PRO 30 CO 0.22 -2.75 1.01 1.21 0.04 0.00 0.00 177.00 176.74 1nmi s ASN 31 N -4.30 6.40 0.00 6.66 3.84 -1.26 -4.02 114.94 122.25 1nmi s ASN 31 Ca 0.70 1.79 0.10 0.00 0.21 0.00 0.00 52.86 55.65 1nmi s ASN 31 Cb -0.09 -2.54 0.26 0.00 -0.55 0.00 0.00 41.25 38.32 1nmi s ASN 31 CO 0.54 -0.74 1.18 0.18 -2.79 0.00 0.00 177.10 175.47 1nmi n LEU 32 N -1.24 2.73 -4.51 3.21 4.32 0.31 -4.95 117.00 116.88 1nmi n LEU 32 Ca 0.08 -1.88 -0.49 0.00 -0.02 0.00 0.00 56.01 53.71 1nmi n LEU 32 Cb 0.53 -0.19 -0.06 0.00 -1.62 0.00 0.00 43.42 42.09 1nmi n LEU 32 CO 0.42 0.67 1.79 1.57 -1.22 0.00 0.00 177.39 180.62 1nmi n HIS 33 N 0.44 1.75 -1.92 -1.77 -0.00 -1.26 -1.00 115.22 111.47 1nmi n HIS 33 Ca 0.10 0.15 -0.11 0.00 -0.00 0.00 0.00 57.72 57.86 1nmi n HIS 33 Cb 0.39 -2.59 -0.02 0.00 -0.00 0.00 0.00 29.99 27.77 1nmi n HIS 33 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1nmi n GLY 34 N 6.16 0.35 0.33 1.57 0.00 -1.25 -4.92 105.19 107.44 1nmi n GLY 34 Ca 0.37 -0.45 0.04 0.00 0.00 0.00 0.00 46.02 45.97 1nmi n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nmi h ILE 35 N 0.00 1.11 0.51 -0.61 2.10 -1.39 -1.20 117.51 118.02 1nmi h ILE 35 Ca -0.25 -0.26 -0.02 0.00 1.08 0.00 0.00 64.86 65.41 1nmi h ILE 35 Cb 1.04 0.30 -0.00 0.00 -1.09 0.00 0.00 36.82 37.07 1nmi h ILE 35 CO 0.32 0.14 -0.28 -0.26 -1.08 0.00 0.00 178.15 176.99 1nmi h PHE 36 N 0.74 -0.72 -0.09 2.19 0.04 -1.83 -3.05 116.94 114.22 1nmi h PHE 36 Ca 0.23 -0.01 -0.18 0.00 2.80 0.00 0.00 57.97 60.81 1nmi h PHE 36 Cb -0.00 0.25 -0.07 0.00 2.20 0.00 0.00 35.95 38.33 1nmi h PHE 36 CO -0.00 -0.43 -0.23 0.41 -0.60 0.00 0.00 178.31 177.46 1nmi n GLY 37 N -1.41 3.02 0.00 -1.45 0.00 -0.48 -4.12 105.19 100.75 1nmi n GLY 37 Ca -0.12 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1nmi n GLY 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1nmi n ARG 38 N 2.12 0.00 -3.54 1.61 0.63 -1.08 -4.97 116.66 111.42 1nmi n ARG 38 Ca 0.34 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 57.31 1nmi n ARG 38 Cb 0.80 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.71 1nmi n ARG 38 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1nmi n HIS 39 N 0.00 -0.06 -1.88 -0.14 8.25 -1.24 -4.90 115.22 115.25 1nmi n HIS 39 Ca 0.00 -0.41 -0.23 0.00 -0.26 0.00 0.00 57.72 56.82 1nmi n HIS 39 Cb 0.00 0.18 -0.08 0.00 1.12 0.00 0.00 29.99 31.21 1nmi n HIS 39 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1nmi s SER 40 N -3.26 4.43 -0.15 0.41 1.04 0.90 -4.01 113.70 113.08 1nmi s SER 40 Ca 0.25 -1.20 -0.01 0.00 0.48 0.00 0.00 55.95 55.47 1nmi s SER 40 Cb -0.00 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.52 1nmi s SER 40 CO -0.02 -3.65 0.13 0.61 0.98 0.00 0.00 173.24 171.29 1nmi n GLY 41 N 6.12 0.58 2.38 7.32 0.00 -1.26 -4.25 105.19 116.08 1nmi n GLY 41 Ca 0.43 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 1nmi n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nmi n GLN 42 N -1.73 2.33 -2.23 1.61 6.02 -1.26 -4.99 117.38 117.14 1nmi n GLN 42 Ca -0.01 -2.42 -0.41 0.00 -0.01 0.00 0.00 57.00 54.15 1nmi n GLN 42 Cb 0.52 -2.04 -0.03 0.00 1.02 0.00 0.00 30.24 29.71 1nmi n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nmi s ALA 43 N -2.34 3.49 1.01 -1.58 0.00 -1.26 -5.00 121.76 116.08 1nmi s ALA 43 Ca 0.51 1.13 -0.12 0.00 0.00 0.00 0.00 51.96 53.48 1nmi s ALA 43 Cb 0.37 -3.45 0.16 0.00 0.00 0.00 0.00 23.12 20.21 1nmi s ALA 43 CO -0.17 -0.50 0.90 -0.85 0.00 0.00 0.00 175.76 175.14 1nmi n GLU 44 N 1.58 -1.04 0.00 0.00 0.00 -1.26 -4.52 120.64 115.40 1nmi n GLU 44 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 57.16 56.93 1nmi n GLU 44 Cb 0.43 -2.18 0.00 0.00 0.00 0.00 0.00 31.44 29.69 1nmi n GLU 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1nmi n GLY 45 N 0.81 0.42 3.58 -1.84 0.00 -1.26 -4.74 105.19 102.16 1nmi n GLY 45 Ca 0.08 0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 1nmi n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1nmi s TYR 46 N 0.00 2.31 -0.88 1.61 5.04 -1.26 -4.86 117.35 119.31 1nmi s TYR 46 Ca 0.00 -0.45 -0.20 0.00 -2.44 0.00 0.00 57.07 53.98 1nmi s TYR 46 Cb 0.00 -4.34 -0.12 0.00 0.35 0.00 0.00 41.96 37.84 1nmi s TYR 46 CO 0.00 -1.50 1.99 -1.13 -1.34 0.00 0.00 175.55 173.57 1nmi n SER 47 N 11.68 2.89 -4.20 4.32 3.41 -1.26 -4.93 113.62 125.53 1nmi n SER 47 Ca 0.46 -2.68 -0.29 0.00 -0.26 0.00 0.00 58.87 56.10 1nmi n SER 47 Cb 0.46 -1.19 0.22 0.00 -0.26 0.00 0.00 64.21 63.45 1nmi n SER 47 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1nmi s TYR 48 N 4.63 1.11 -0.15 7.33 -0.85 -1.26 -5.04 117.35 123.12 1nmi s TYR 48 Ca 0.55 0.77 -0.21 0.00 -0.52 0.00 0.00 57.07 57.65 1nmi s TYR 48 Cb 0.14 -3.29 -0.18 0.00 0.38 0.00 0.00 41.96 39.01 1nmi s TYR 48 CO 0.08 -3.63 0.44 0.00 -1.52 0.00 0.00 175.55 170.91 1nmi h THR 49 N -2.42 1.15 -7.07 -3.49 1.03 -1.94 -3.48 112.91 96.70 1nmi h THR 49 Ca -0.51 -1.98 -0.61 0.00 -0.01 0.00 0.00 66.41 63.29 1nmi h THR 49 Cb 1.32 2.30 -0.26 0.00 -1.07 0.00 0.00 68.15 70.44 1nmi h THR 49 CO 0.45 0.39 -0.93 0.47 -0.01 0.00 0.00 175.52 175.89 1nmi n ASP 50 N -4.60 -0.42 0.10 0.00 9.92 -1.26 -4.86 116.55 115.44 1nmi n ASP 50 Ca -0.13 -1.23 -0.13 0.00 -0.53 0.00 0.00 54.79 52.76 1nmi n ASP 50 Cb 0.43 -1.77 -0.08 0.00 -0.64 0.00 0.00 41.12 39.06 1nmi n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nmi h ALA 51 N 0.83 -0.24 -0.28 2.24 0.00 -1.92 0.66 119.26 120.55 1nmi h ALA 51 Ca -0.63 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1nmi h ALA 51 Cb 1.39 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1nmi h ALA 51 CO 0.78 -0.49 0.18 -2.95 0.00 0.00 0.00 179.25 176.77 1nmi h ASN 52 N -0.54 0.31 0.00 0.00 -1.07 -1.89 -2.83 115.58 109.57 1nmi h ASN 52 Ca -0.03 -0.01 0.03 0.00 0.07 0.00 0.00 56.30 56.36 1nmi h ASN 52 Cb 0.41 -0.08 -0.06 0.00 -2.07 0.00 0.00 38.32 36.52 1nmi h ASN 52 CO 0.04 0.23 -0.47 0.40 0.07 0.00 0.00 177.43 177.69 1nmi h ILE 53 N 0.37 0.08 0.00 6.14 1.08 -1.90 -3.33 117.51 119.95 1nmi h ILE 53 Ca 0.10 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.57 1nmi h ILE 53 Cb -0.04 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 33.79 1nmi h ILE 53 CO -0.02 0.00 0.00 1.17 -0.69 0.00 0.00 178.15 178.61 1nmi n LYS 54 N -5.46 0.00 -2.88 2.37 3.00 0.22 -4.41 118.16 111.01 1nmi n LYS 54 Ca -0.06 0.27 -0.12 0.00 -0.00 0.00 0.00 58.31 58.40 1nmi n LYS 54 Cb 0.39 -1.12 -0.03 0.00 0.00 0.00 0.00 35.03 34.27 1nmi n LYS 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1nmi n LYS 55 N -1.04 -0.95 -2.03 1.64 3.00 -1.14 0.34 118.16 117.98 1nmi n LYS 55 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1nmi n LYS 55 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 35.03 33.68 1nmi n LYS 55 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1nmi n ASN 56 N -0.58 0.00 -4.81 3.14 3.02 -1.26 -4.94 115.26 109.83 1nmi n ASN 56 Ca -0.05 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.23 1nmi n ASN 56 Cb 0.20 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.32 1nmi n ASN 56 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1nmi s VAL 57 N -1.84 4.56 0.25 2.41 1.01 0.15 -5.00 120.40 121.95 1nmi s VAL 57 Ca 0.00 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 61.04 1nmi s VAL 57 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1nmi s VAL 57 CO 0.00 -0.07 0.29 -0.76 0.00 0.00 0.00 175.10 174.56 1nmi s LEU 58 N -3.00 4.06 -0.25 3.92 1.43 -1.26 -0.07 118.68 123.51 1nmi s LEU 58 Ca 0.31 -0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 53.22 1nmi s LEU 58 Cb -0.10 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 1nmi s LEU 58 CO 0.24 -0.08 0.13 0.26 0.23 0.00 0.00 176.35 177.13 1nmi s TRP 59 N -2.07 3.19 0.31 0.29 0.23 -1.26 -4.72 118.94 114.92 1nmi s TRP 59 Ca 0.34 -0.04 0.10 0.00 -2.03 0.00 0.00 56.10 54.47 1nmi s TRP 59 Cb -0.08 -2.29 -0.05 0.00 0.03 0.00 0.00 33.47 31.08 1nmi s TRP 59 CO 0.27 -0.16 -0.04 -0.51 0.96 0.00 0.00 176.95 177.48 1nmi s ASP 60 N 1.47 4.16 0.25 2.95 1.11 -1.26 -4.40 116.67 120.95 1nmi s ASP 60 Ca 0.06 -0.90 -0.04 0.00 0.18 0.00 0.00 52.55 51.85 1nmi s ASP 60 Cb -0.15 -0.57 0.39 0.00 1.07 0.00 0.00 42.92 43.65 1nmi s ASP 60 CO 0.07 -0.11 1.82 1.05 1.18 0.00 0.00 175.17 179.18 1nmi h GLU 61 N 1.92 0.83 0.74 8.23 9.09 -1.98 0.27 114.58 133.68 1nmi h GLU 61 Ca -0.43 -0.05 -0.03 0.00 0.05 0.00 0.00 59.36 58.90 1nmi h GLU 61 Cb 1.25 -0.19 0.00 0.00 -1.65 0.00 0.00 28.75 28.17 1nmi h GLU 61 CO 0.64 0.55 -0.39 -0.97 0.05 0.00 0.00 179.01 178.88 1nmi h ASN 62 N 0.85 -0.96 -0.52 3.06 -0.00 -1.98 0.38 115.58 116.41 1nmi h ASN 62 Ca 0.40 0.04 0.09 0.00 -0.00 0.00 0.00 56.30 56.83 1nmi h ASN 62 Cb 0.32 0.26 -0.07 0.00 -0.00 0.00 0.00 38.32 38.83 1nmi h ASN 62 CO -0.23 -0.64 0.12 -1.13 -0.00 0.00 0.00 177.43 175.55 1nmi h ASN 63 N -1.04 0.03 0.04 1.15 -1.24 -1.85 0.98 115.58 113.65 1nmi h ASN 63 Ca -0.10 0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1nmi h ASN 63 Cb 0.81 0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.97 1nmi h ASN 63 CO 0.14 0.04 -0.04 -0.03 -1.29 0.00 0.00 177.43 176.25 1nmi h MET 64 N 0.26 -0.09 -0.81 6.67 4.05 -0.99 -1.09 114.93 122.93 1nmi h MET 64 Ca 0.26 0.01 0.15 0.00 -0.28 0.00 0.00 59.70 59.84 1nmi h MET 64 Cb 0.35 0.02 -0.10 0.00 -0.80 0.00 0.00 31.60 31.07 1nmi h MET 64 CO -0.33 -0.06 0.37 1.03 0.23 0.00 0.00 176.91 178.15 1nmi h SER 65 N -0.09 0.39 0.23 1.39 0.87 0.67 0.34 113.55 117.35 1nmi h SER 65 Ca 0.00 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1nmi h SER 65 Cb 0.09 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1nmi h SER 65 CO -0.01 0.14 -0.16 -0.33 -0.53 0.00 0.00 176.83 175.94 1nmi h GLU 66 N 0.51 -0.38 -0.21 2.24 5.08 -0.44 0.39 114.58 121.78 1nmi h GLU 66 Ca 0.45 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.90 1nmi h GLU 66 Cb 0.70 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1nmi h GLU 66 CO -0.40 -0.25 0.21 -0.92 -1.00 0.00 0.00 179.01 176.64 1nmi h TYR 67 N -0.39 0.00 -0.13 4.33 3.20 0.16 0.16 116.97 124.30 1nmi h TYR 67 Ca -0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1nmi h TYR 67 Cb 0.34 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.61 1nmi h TYR 67 CO -0.11 0.00 0.00 1.28 -1.64 0.00 0.00 178.16 177.69 1nmi n LEU 68 N -3.94 1.98 -0.03 2.82 4.32 0.10 -4.50 117.00 117.75 1nmi n LEU 68 Ca 0.02 -0.76 -0.03 0.00 -0.02 0.00 0.00 56.01 55.22 1nmi n LEU 68 Cb 0.34 -0.07 -0.01 0.00 -1.62 0.00 0.00 43.42 42.05 1nmi n LEU 68 CO 0.29 0.38 -0.26 0.41 -1.22 0.00 0.00 177.39 176.99 1nmi n THR 69 N 0.54 0.72 -2.31 -5.08 -1.04 0.55 -2.04 114.28 105.61 1nmi n THR 69 Ca 0.17 0.29 -0.42 0.00 -2.04 0.00 0.00 64.05 62.06 1nmi n THR 69 Cb 0.40 -1.77 -0.03 0.00 -1.82 0.00 0.00 70.33 67.11 1nmi n THR 69 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1nmi s ASN 70 N -5.09 6.99 -0.40 8.00 2.47 -1.07 -0.17 114.94 125.67 1nmi s ASN 70 Ca -0.11 2.25 -0.27 0.00 0.42 0.00 0.00 52.86 55.14 1nmi s ASN 70 Cb 0.02 -2.60 -0.03 0.00 -1.45 0.00 0.00 41.25 37.18 1nmi s ASN 70 CO 0.16 -0.48 1.99 -2.16 -3.72 0.00 0.00 177.10 172.90 1nmi s PRO 71 N 0.26 2.93 3.88 0.43 0.04 -1.26 -3.71 135.00 137.56 1nmi s PRO 71 Ca 0.57 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1nmi s PRO 71 Cb -0.34 -4.34 0.00 0.00 0.04 0.00 0.00 34.50 29.87 1nmi s PRO 71 CO 0.35 -2.34 0.00 1.17 0.04 0.00 0.00 177.00 176.21 1nmi n LYS 72 N 8.76 0.00 0.00 4.56 4.81 -1.25 -4.84 118.16 130.20 1nmi n LYS 72 Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 1nmi n LYS 72 Cb 0.49 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.54 1nmi n LYS 72 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1nmi n LYS 73 N 14.00 0.00 -1.31 1.64 0.00 -1.26 -4.83 118.16 126.40 1nmi n LYS 73 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.89 1nmi n LYS 73 Cb 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 35.03 34.27 1nmi n LYS 73 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1nmi n TYR 74 N 0.00 2.12 -3.36 5.64 4.01 -1.26 -4.68 117.16 119.64 1nmi n TYR 74 Ca 0.00 -1.86 -0.00 0.00 -0.16 0.00 0.00 57.90 55.87 1nmi n TYR 74 Cb 0.00 -1.88 -0.00 0.00 -0.31 0.00 0.00 39.34 37.15 1nmi n TYR 74 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1nmi n ILE 75 N 6.15 -0.01 0.06 -0.72 -0.00 -1.26 -4.81 119.36 118.77 1nmi n ILE 75 Ca 0.49 -0.00 -0.13 0.00 -0.00 0.00 0.00 62.75 63.11 1nmi n ILE 75 Cb 0.41 -0.01 -0.09 0.00 -0.00 0.00 0.00 39.64 39.95 1nmi n ILE 75 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.55 175.90 1nmi h PRO 76 N 2.45 -0.16 0.00 0.38 0.11 -1.95 -3.45 132.00 129.39 1nmi h PRO 76 Ca -0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1nmi h PRO 76 Cb 0.01 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1nmi h PRO 76 CO 0.00 0.19 0.00 0.41 -0.21 0.00 0.00 178.00 178.40 1nmi n GLY 77 N -0.16 0.75 0.01 -0.55 0.00 -1.26 -4.47 105.19 99.51 1nmi n GLY 77 Ca -0.09 0.16 -0.00 0.00 0.00 0.00 0.00 46.02 46.09 1nmi n GLY 77 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nmi n THR 78 N 0.00 -0.02 0.00 2.61 -1.04 -1.26 -4.81 114.28 109.76 1nmi n THR 78 Ca 0.00 0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 1nmi n THR 78 Cb 0.00 -0.21 0.00 0.00 -1.82 0.00 0.00 70.33 68.30 1nmi n THR 78 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1nmi n LYS 79 N -2.85 0.00 -3.74 -2.82 2.85 -1.26 -5.10 118.16 105.23 1nmi n LYS 79 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.14 1nmi n LYS 79 Cb 0.01 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.26 1nmi n LYS 79 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1nmi s MET 80 N -0.86 0.20 0.06 -1.58 -1.94 -1.26 -5.00 119.30 108.93 1nmi s MET 80 Ca 0.00 0.49 0.01 0.00 -1.71 0.00 0.00 55.69 54.48 1nmi s MET 80 Cb 0.00 -0.09 -0.03 0.00 2.01 0.00 0.00 34.83 36.72 1nmi s MET 80 CO 0.00 -0.14 -0.06 0.00 -0.01 0.00 0.00 175.02 174.81 1nmi s ALA 81 N 1.09 0.68 0.00 3.03 0.00 -1.26 -5.10 121.76 120.20 1nmi s ALA 81 Ca -0.08 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1nmi s ALA 81 Cb -0.09 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1nmi s ALA 81 CO -0.07 -0.18 0.00 1.97 0.00 0.00 0.00 175.76 177.48 1nmi n PHE 82 N 0.64 0.00 -3.29 0.00 -1.74 -1.26 -3.89 117.46 107.92 1nmi n PHE 82 Ca -0.17 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.72 1nmi n PHE 82 Cb 0.58 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.58 1nmi n PHE 82 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1nmi n GLY 83 N 2.23 0.16 3.60 4.97 0.00 -1.24 -4.22 105.19 110.69 1nmi n GLY 83 Ca 0.00 -1.13 -0.59 0.00 0.00 0.00 0.00 46.02 44.30 1nmi n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nmi n GLY 84 N 0.00 0.49 0.27 -0.02 0.00 0.76 -4.48 105.19 102.21 1nmi n GLY 84 Ca 0.00 0.98 -0.07 0.00 0.00 0.00 0.00 46.02 46.93 1nmi n GLY 84 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1nmi h LEU 85 N 7.87 -1.36 0.00 0.99 3.38 -1.90 -3.45 115.31 120.84 1nmi h LEU 85 Ca -0.37 0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1nmi h LEU 85 Cb 1.35 0.60 0.00 0.00 0.09 0.00 0.00 40.66 42.69 1nmi h LEU 85 CO 1.00 -0.16 0.00 1.17 0.09 0.00 0.00 178.44 180.54 1nmi n LYS 86 N -4.43 0.00 -4.17 1.13 3.00 -1.26 -5.08 118.16 107.35 1nmi n LYS 86 Ca 0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.06 1nmi n LYS 86 Cb 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.14 1nmi n LYS 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1nmi s LYS 87 N -1.96 2.23 -0.04 1.64 -0.14 -1.26 -5.06 119.74 115.15 1nmi s LYS 87 Ca 0.00 -1.95 -0.25 0.00 -1.36 0.00 0.00 55.97 52.42 1nmi s LYS 87 Cb 0.00 -1.95 -0.19 0.00 -1.68 0.00 0.00 37.83 34.01 1nmi s LYS 87 CO 0.00 -0.23 1.11 1.49 -0.76 0.00 0.00 175.35 176.95 1nmi h GLU 88 N 1.30 -0.09 0.00 1.68 4.22 -2.00 -2.88 114.58 116.82 1nmi h GLU 88 Ca -0.42 0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.00 1nmi h GLU 88 Cb 1.27 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 1nmi h GLU 88 CO 0.68 0.43 -0.12 -0.22 -2.18 0.00 0.00 179.01 177.60 1nmi h LYS 89 N -0.66 0.00 0.11 1.92 1.63 -1.99 -2.03 116.57 115.55 1nmi h LYS 89 Ca -0.01 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1nmi h LYS 89 Cb 0.55 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 1nmi h LYS 89 CO 0.01 0.12 -0.05 -0.44 -3.45 0.00 0.00 179.45 175.64 1nmi h ASP 90 N 0.00 -0.12 -0.42 4.20 3.32 -1.97 0.36 116.42 121.79 1nmi h ASP 90 Ca -0.00 -0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.07 1nmi h ASP 90 Cb 0.23 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.76 1nmi h ASP 90 CO 0.02 -0.04 0.13 0.08 -1.72 0.00 0.00 179.24 177.70 1nmi h ARG 91 N -0.19 0.27 -0.19 3.56 0.11 -1.17 0.27 114.38 117.04 1nmi h ARG 91 Ca -0.01 -0.02 0.05 0.00 0.10 0.00 0.00 59.98 60.10 1nmi h ARG 91 Cb 0.15 -0.06 -0.06 0.00 1.11 0.00 0.00 29.97 31.11 1nmi h ARG 91 CO 0.02 0.18 -0.18 -0.91 0.10 0.00 0.00 179.97 179.19 1nmi h ASN 92 N 0.28 -0.56 0.01 0.08 2.35 -1.13 0.06 115.58 116.67 1nmi h ASN 92 Ca 0.20 0.11 0.03 0.00 -0.55 0.00 0.00 56.30 56.09 1nmi h ASN 92 Cb 0.21 0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.81 1nmi h ASN 92 CO -0.22 -0.22 -0.28 -0.78 -1.65 0.00 0.00 177.43 174.27 1nmi h ASP 93 N -0.19 -0.84 0.32 5.81 3.58 -0.25 -1.78 116.42 123.07 1nmi h ASP 93 Ca 0.12 0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.67 1nmi h ASP 93 Cb 0.37 0.34 -0.03 0.00 1.72 0.00 0.00 39.33 41.73 1nmi h ASP 93 CO -0.30 -0.35 -0.46 0.25 -2.88 0.00 0.00 179.24 175.49 1nmi h LEU 94 N -0.44 -1.32 -0.59 2.28 6.46 0.02 0.08 115.31 121.80 1nmi h LEU 94 Ca 0.06 0.12 0.12 0.00 -0.12 0.00 0.00 57.88 58.06 1nmi h LEU 94 Cb 0.52 0.46 -0.10 0.00 -0.73 0.00 0.00 40.66 40.80 1nmi h LEU 94 CO -0.23 -0.56 -0.01 0.40 -0.62 0.00 0.00 178.44 177.41 1nmi h ILE 95 N -0.82 0.51 -0.37 4.05 5.03 -0.93 0.10 117.51 125.08 1nmi h ILE 95 Ca -0.04 -0.04 0.00 0.00 -0.12 0.00 0.00 64.86 64.67 1nmi h ILE 95 Cb 0.74 0.39 -0.02 0.00 -3.03 0.00 0.00 36.82 34.91 1nmi h ILE 95 CO -0.14 0.02 0.24 0.74 -0.68 0.00 0.00 178.15 178.34 1nmi h THR 96 N 0.11 1.10 -0.58 -0.27 2.02 -0.84 0.32 112.91 114.77 1nmi h THR 96 Ca 0.31 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 67.23 1nmi h THR 96 Cb 0.49 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1nmi h THR 96 CO -0.51 0.10 0.10 0.22 0.37 0.00 0.00 175.52 175.80 1nmi h TYR 97 N 0.50 1.01 0.00 3.16 5.03 0.77 -0.05 116.97 127.39 1nmi h TYR 97 Ca 0.14 -0.14 -0.15 0.00 2.58 0.00 0.00 58.73 61.16 1nmi h TYR 97 Cb -0.05 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 37.93 1nmi h TYR 97 CO -0.05 0.88 -0.69 1.37 -1.32 0.00 0.00 178.16 178.35 1nmi h LEU 98 N 0.86 0.00 0.02 2.82 8.10 -0.70 0.23 115.31 126.63 1nmi h LEU 98 Ca 0.18 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.17 1nmi h LEU 98 Cb 0.40 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.62 1nmi h LEU 98 CO 0.01 0.69 -0.02 0.11 -4.11 0.00 0.00 178.44 175.12 1nmi h LYS 99 N 0.00 -0.04 -0.49 0.17 1.79 -0.08 -3.18 116.57 114.73 1nmi h LYS 99 Ca -0.01 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1nmi h LYS 99 Cb 1.28 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.92 1nmi h LYS 99 CO 0.09 -0.03 0.33 -0.22 -1.08 0.00 0.00 179.45 178.54 1nmi h LYS 100 N -0.04 0.63 -0.66 3.15 3.11 -0.71 0.32 116.57 122.36 1nmi h LYS 100 Ca -0.00 -0.04 0.14 0.00 -2.81 0.00 0.00 60.65 57.94 1nmi h LYS 100 Cb 0.04 -0.14 -0.12 0.00 -1.00 0.00 0.00 32.23 31.01 1nmi h LYS 100 CO -0.01 0.41 -0.06 0.00 -2.81 0.00 0.00 179.45 176.98 1nmi h ALA 101 N 1.70 0.57 0.00 5.00 0.00 -0.59 -3.34 119.26 122.60 1nmi h ALA 101 Ca 0.19 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1nmi h ALA 101 Cb -0.04 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1nmi h ALA 101 CO -0.04 -0.41 0.00 0.25 0.00 0.00 0.00 179.25 179.04 1nmi n THR 102 N -5.36 0.00 0.11 0.00 -2.24 -0.66 -5.02 114.28 101.11 1nmi n THR 102 Ca 0.10 -0.20 0.01 0.00 -2.27 0.00 0.00 64.05 61.69 1nmi n THR 102 Cb 0.37 1.53 0.01 0.00 -2.10 0.00 0.00 70.33 70.15 1nmi n THR 102 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71