#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8h s THR 6 N 0.00 2.57 0.55 0.52 -4.23 -1.26 -4.71 115.64 109.08 3i8h s THR 6 Ca 0.00 0.29 0.26 0.00 -1.18 0.00 0.00 61.69 61.06 3i8h s THR 6 Cb 0.00 -2.90 0.37 0.00 1.34 0.00 0.00 72.50 71.31 3i8h s THR 6 CO 0.00 -0.14 2.03 0.40 -0.54 0.00 0.00 174.62 176.38 3i8h h ILE 7 N 0.04 0.65 -0.38 2.99 1.08 -2.05 0.19 117.51 120.03 3i8h h ILE 7 Ca -0.48 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 63.90 3i8h h ILE 7 Cb 1.29 0.78 -0.01 0.00 -3.07 0.00 0.00 36.82 35.81 3i8h h ILE 7 CO 0.52 0.00 -0.12 -1.13 -0.69 0.00 0.00 178.15 176.72 3i8h h ASN 8 N 0.00 0.77 -0.33 1.72 -1.24 -1.99 -1.10 115.58 113.41 3i8h h ASN 8 Ca 0.17 -0.38 -0.02 0.00 0.71 0.00 0.00 56.30 56.78 3i8h h ASN 8 Cb 0.77 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.59 3i8h h ASN 8 CO -0.00 0.97 0.12 1.56 -1.29 0.00 0.00 177.43 178.79 3i8h h GLN 9 N 0.56 0.51 -0.22 6.67 4.20 -1.06 -1.06 115.11 124.71 3i8h h GLN 9 Ca 0.09 -0.10 0.06 0.00 0.06 0.00 0.00 58.65 58.76 3i8h h GLN 9 Cb 0.65 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 3i8h h GLN 9 CO 0.04 0.53 0.18 -0.07 -0.67 0.00 0.00 178.83 178.84 3i8h h LEU 10 N 0.38 0.00 0.29 1.46 3.38 -0.73 0.48 115.31 120.57 3i8h h LEU 10 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3i8h h LEU 10 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3i8h h LEU 10 CO -0.01 0.00 -0.14 0.58 0.09 0.00 0.00 178.44 178.96 3i8h h VAL 11 N 0.00 0.00 0.00 1.22 2.07 -0.07 0.30 116.25 119.77 3i8h h VAL 11 Ca 0.10 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3i8h h VAL 11 Cb 0.46 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3i8h h VAL 11 CO -0.00 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.13 3i8h n ARG 12 N -3.66 0.00 -0.10 1.57 1.74 -0.51 -3.64 116.66 112.06 3i8h n ARG 12 Ca -0.05 0.65 -0.12 0.00 -0.77 0.00 0.00 57.85 57.57 3i8h n ARG 12 Cb 0.15 -1.34 -0.04 0.00 -1.02 0.00 0.00 32.46 30.21 3i8h n ARG 12 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3i8h h LYS 13 N 0.00 0.59 -0.72 5.56 6.56 -0.23 -3.50 116.57 124.82 3i8h h LYS 13 Ca 0.00 -0.25 0.08 0.00 -1.06 0.00 0.00 60.65 59.43 3i8h h LYS 13 Cb 0.00 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 31.61 3i8h h LYS 13 CO 0.00 0.81 -0.16 0.41 -2.06 0.00 0.00 179.45 178.45 3i8h n GLY 14 N -0.07 -1.81 3.64 3.86 0.00 0.11 -4.84 105.19 106.06 3i8h n GLY 14 Ca -0.03 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.20 3i8h n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8h s ARG 15 N -1.86 4.01 0.15 1.61 1.81 -1.26 -4.89 118.95 118.52 3i8h s ARG 15 Ca 0.00 -0.31 -0.32 0.00 -1.72 0.00 0.00 55.73 53.38 3i8h s ARG 15 Cb 0.00 -3.42 -0.12 0.00 -0.45 0.00 0.00 34.95 30.96 3i8h s ARG 15 CO 0.00 0.11 1.74 -1.91 -0.68 0.00 0.00 175.30 174.57 3i8h n GLU 16 N 4.08 2.60 -3.00 3.54 2.13 -1.26 -4.96 120.64 123.76 3i8h n GLU 16 Ca -0.16 0.94 -0.44 0.00 0.66 0.00 0.00 57.16 58.17 3i8h n GLU 16 Cb 0.52 -2.79 -0.05 0.00 0.27 0.00 0.00 31.44 29.40 3i8h n GLU 16 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3i8h s LYS 17 N 1.87 3.12 0.00 5.31 1.02 -1.26 -5.01 119.74 124.80 3i8h s LYS 17 Ca 0.80 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.87 3i8h s LYS 17 Cb -0.55 -4.18 0.00 0.00 -0.52 0.00 0.00 37.83 32.58 3i8h s LYS 17 CO 0.37 -1.54 0.01 1.33 -0.92 0.00 0.00 175.35 174.59 3i8h n VAL 18 N 5.77 0.00 -1.60 3.17 0.24 -1.26 -4.98 118.33 119.68 3i8h n VAL 18 Ca -0.05 0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 3i8h n VAL 18 Cb 0.45 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 3i8h n VAL 18 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3i8h n ARG 19 N -0.11 -2.83 0.00 7.34 5.12 -1.26 -5.07 116.66 119.84 3i8h n ARG 19 Ca 0.00 2.27 0.00 0.00 -1.93 0.00 0.00 57.85 58.19 3i8h n ARG 19 Cb 0.00 -2.60 0.00 0.00 -1.16 0.00 0.00 32.46 28.70 3i8h n ARG 19 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 3i8h n LYS 20 N 0.99 0.37 -4.52 5.56 0.00 -1.26 -5.14 118.16 114.15 3i8h n LYS 20 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.00 3i8h n LYS 20 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 34.97 3i8h n LYS 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3i8h s LYS 21 N -1.51 2.19 -0.39 -1.58 3.01 -1.26 -5.13 119.74 115.08 3i8h s LYS 21 Ca 0.00 -2.26 0.02 0.00 -1.01 0.00 0.00 55.97 52.72 3i8h s LYS 21 Cb 0.00 -1.69 0.11 0.00 -1.01 0.00 0.00 37.83 35.24 3i8h s LYS 21 CO 0.00 -0.38 0.14 0.45 0.51 0.00 0.00 175.35 176.07 3i8h s SER 22 N -3.95 4.30 0.00 2.83 0.15 -1.26 -4.95 113.70 110.81 3i8h s SER 22 Ca 0.16 -2.28 0.00 0.00 0.70 0.00 0.00 55.95 54.53 3i8h s SER 22 Cb 0.02 -1.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 3i8h s SER 22 CO 0.09 -0.34 0.10 0.29 1.20 0.00 0.00 173.24 174.58 3i8h n LYS 23 N 4.05 0.12 -3.01 5.44 5.02 -1.26 -3.60 118.16 124.91 3i8h n LYS 23 Ca 0.04 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.18 3i8h n LYS 23 Cb 0.39 -1.02 -0.03 0.00 -0.02 0.00 0.00 35.03 34.35 3i8h n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3i8h n VAL 24 N -0.19 -0.48 -1.38 -0.18 0.31 -1.26 -4.85 118.33 110.30 3i8h n VAL 24 Ca 0.00 -2.25 -0.39 0.00 -0.01 0.00 0.00 64.34 61.69 3i8h n VAL 24 Cb 0.01 -0.14 -0.02 0.00 -0.91 0.00 0.00 33.84 32.78 3i8h n VAL 24 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3i8h n PRO 25 N 2.48 3.22 -0.07 5.55 -0.04 -1.24 -4.28 135.00 140.61 3i8h n PRO 25 Ca 0.21 -2.24 0.01 0.00 -0.04 0.00 0.00 63.50 61.43 3i8h n PRO 25 Cb 0.54 -2.92 0.04 0.00 -0.04 0.00 0.00 33.50 31.12 3i8h n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i8h n ALA 26 N 4.57 2.59 -0.88 0.55 0.00 -1.26 -4.97 120.51 121.11 3i8h n ALA 26 Ca 0.67 -0.17 0.07 0.00 0.00 0.00 0.00 53.44 54.01 3i8h n ALA 26 Cb 0.28 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 3i8h n ALA 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i8h n LEU 27 N -0.04 -0.36 0.00 0.00 -0.00 -1.26 -4.42 117.00 110.92 3i8h n LEU 27 Ca 0.03 0.82 0.00 0.00 -0.00 0.00 0.00 56.01 56.85 3i8h n LEU 27 Cb 0.26 -2.69 0.00 0.00 -0.00 0.00 0.00 43.42 40.99 3i8h n LEU 27 CO 0.03 -1.15 0.00 1.17 -0.00 0.00 0.00 177.39 177.44 3i8h n LYS 28 N -2.99 -0.87 -4.14 1.96 4.81 -1.26 -1.56 118.16 114.10 3i8h n LYS 28 Ca -0.02 0.15 -0.35 0.00 -0.87 0.00 0.00 58.31 57.22 3i8h n LYS 28 Cb 0.54 -3.72 -0.06 0.00 0.02 0.00 0.00 35.03 31.80 3i8h n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i8h n GLY 29 N -0.28 -0.42 3.86 3.14 0.00 -1.26 -4.81 105.19 105.41 3i8h n GLY 29 Ca 0.00 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3i8h n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8h s ALA 30 N -3.02 3.03 0.15 4.61 0.00 -0.60 -4.98 121.76 120.95 3i8h s ALA 30 Ca 0.68 -0.01 -0.10 0.00 0.00 0.00 0.00 51.96 52.53 3i8h s ALA 30 Cb -0.39 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 3i8h s ALA 30 CO 0.83 -0.68 1.49 -1.35 0.00 0.00 0.00 175.76 176.05 3i8h h PRO 31 N -0.14 0.92 -4.99 0.00 0.11 -1.91 -3.47 132.00 122.52 3i8h h PRO 31 Ca -0.45 -0.47 -0.55 0.00 0.11 0.00 0.00 66.00 64.64 3i8h h PRO 31 Cb 1.19 0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.18 3i8h h PRO 31 CO 0.61 1.12 -0.49 -0.06 -0.21 0.00 0.00 178.00 178.98 3i8h s PHE 32 N -4.41 1.78 -0.25 0.65 0.08 -1.26 -4.81 117.98 109.76 3i8h s PHE 32 Ca -0.11 -1.47 -0.18 0.00 0.12 0.00 0.00 56.93 55.29 3i8h s PHE 32 Cb 0.11 -1.00 0.07 0.00 -0.57 0.00 0.00 43.02 41.64 3i8h s PHE 32 CO 0.88 -0.54 0.64 0.50 -0.10 0.00 0.00 175.22 176.59 3i8h s ARG 33 N -3.57 0.70 0.33 0.44 6.06 -1.18 -4.96 118.95 116.77 3i8h s ARG 33 Ca 0.28 1.02 -0.07 0.00 -2.50 0.00 0.00 55.73 54.47 3i8h s ARG 33 Cb 0.02 0.23 -0.06 0.00 0.06 0.00 0.00 34.95 35.20 3i8h s ARG 33 CO 0.20 -0.12 0.63 0.50 -2.50 0.00 0.00 175.30 174.00 3i8h s ARG 34 N 0.99 3.68 -0.20 5.12 3.52 -1.26 0.38 118.95 131.18 3i8h s ARG 34 Ca -0.05 0.16 -0.36 0.00 -0.13 0.00 0.00 55.73 55.36 3i8h s ARG 34 Cb -0.05 -2.56 0.14 0.00 -1.56 0.00 0.00 34.95 30.92 3i8h s ARG 34 CO -0.09 0.12 1.26 0.20 -0.81 0.00 0.00 175.30 175.98 3i8h s GLY 35 N -3.18 -0.28 -0.05 8.12 0.00 -0.79 -3.26 107.32 107.88 3i8h s GLY 35 Ca 0.46 1.59 -0.00 0.00 0.00 0.00 0.00 44.72 46.77 3i8h s GLY 35 CO 0.31 0.52 -0.00 0.14 0.00 0.00 0.00 173.10 174.06 3i8h s VAL 36 N -2.32 4.22 0.47 1.40 1.01 0.99 -0.46 120.40 125.70 3i8h s VAL 36 Ca 0.10 -0.40 -0.21 0.00 0.00 0.00 0.00 61.98 61.47 3i8h s VAL 36 Cb -0.00 -2.82 -0.09 0.00 0.00 0.00 0.00 36.38 33.47 3i8h s VAL 36 CO -0.04 0.51 1.04 0.00 0.00 0.00 0.00 175.10 176.61 3i8h n THR 38 N -0.76 0.00 -3.68 0.00 5.66 -0.09 -3.99 114.28 111.42 3i8h n THR 38 Ca 0.08 -0.07 -0.09 0.00 -3.05 0.00 0.00 64.05 60.92 3i8h n THR 38 Cb 0.52 0.48 -0.10 0.00 -1.55 0.00 0.00 70.33 69.68 3i8h n THR 38 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3i8h s VAL 39 N -1.31 -0.23 -0.53 1.08 1.01 -1.23 -4.84 120.40 114.35 3i8h s VAL 39 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.12 3i8h s VAL 39 Cb 0.00 -0.68 0.15 0.00 0.00 0.00 0.00 36.38 35.85 3i8h s VAL 39 CO 0.00 0.04 0.32 -0.69 0.00 0.00 0.00 175.10 174.78 3i8h s VAL 40 N 1.82 2.07 0.00 2.92 1.01 -1.26 0.34 120.40 127.29 3i8h s VAL 40 Ca -0.07 -3.27 0.00 0.00 0.00 0.00 0.00 61.98 58.64 3i8h s VAL 40 Cb -0.09 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.88 3i8h s VAL 40 CO -0.14 -0.93 0.00 0.54 0.00 0.00 0.00 175.10 174.57 3i8h n ARG 41 N 2.92 3.53 -3.91 2.72 5.12 -1.20 -4.96 116.66 120.88 3i8h n ARG 41 Ca 0.13 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.89 3i8h n ARG 41 Cb 0.35 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.60 3i8h n ARG 41 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3i8h n THR 42 N 0.00 0.00 0.00 0.55 -2.24 -1.26 -2.46 114.28 108.86 3i8h n THR 42 Ca 0.00 -1.96 0.00 0.00 -2.27 0.00 0.00 64.05 59.82 3i8h n THR 42 Cb 0.00 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 3i8h n THR 42 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3i8h n VAL 43 N -0.55 0.00 -3.64 2.28 0.24 -0.43 -4.80 118.33 111.43 3i8h n VAL 43 Ca 0.04 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.29 3i8h n VAL 43 Cb 0.54 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.84 3i8h n VAL 43 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3i8h s THR 44 N 1.48 0.00 0.74 3.34 -4.23 -1.26 -4.24 115.64 111.47 3i8h s THR 44 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.43 3i8h s THR 44 Cb 0.00 -1.00 0.08 0.00 1.34 0.00 0.00 72.50 72.92 3i8h s THR 44 CO 0.00 0.00 1.06 -2.84 -0.54 0.00 0.00 174.62 172.30 3i8h s PRO 45 N 1.10 2.02 0.53 3.99 0.02 -1.26 -4.94 135.00 136.45 3i8h s PRO 45 Ca -0.06 -0.26 -0.08 0.00 0.02 0.00 0.00 61.00 60.62 3i8h s PRO 45 Cb -0.04 -2.12 0.12 0.00 0.02 0.00 0.00 34.50 32.47 3i8h s PRO 45 CO -0.13 -1.39 0.27 1.17 -0.33 0.00 0.00 177.00 176.59 3i8h n LYS 46 N -3.03 -1.64 0.00 5.54 4.81 0.51 -4.86 118.16 119.48 3i8h n LYS 46 Ca 0.09 -0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.08 3i8h n LYS 46 Cb 0.60 -0.73 0.00 0.00 0.02 0.00 0.00 35.03 34.93 3i8h n LYS 46 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3i8h n LYS 47 N -2.14 0.00 0.00 1.64 5.02 -1.26 -4.01 118.16 117.41 3i8h n LYS 47 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3i8h n LYS 47 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.20 3i8h n LYS 47 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3i8h n PRO 48 N 0.00 0.00 -3.99 1.97 -0.04 -1.26 -4.27 135.00 127.41 3i8h n PRO 48 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 3i8h n PRO 48 Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 3i8h n PRO 48 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3i8h s ASN 49 N 0.00 -0.03 -0.09 3.54 0.02 -1.26 -5.16 114.94 111.96 3i8h s ASN 49 Ca 0.00 -0.93 -0.09 0.00 -1.02 0.00 0.00 52.86 50.83 3i8h s ASN 49 Cb 0.00 0.51 0.02 0.00 0.02 0.00 0.00 41.25 41.80 3i8h s ASN 49 CO 0.00 -1.01 0.25 -0.55 0.02 0.00 0.00 177.10 175.81 3i8h s SER 50 N -3.01 -0.26 0.00 -1.22 0.15 -1.26 -4.76 113.70 103.35 3i8h s SER 50 Ca 0.22 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.36 3i8h s SER 50 Cb 0.02 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 3i8h s SER 50 CO 0.05 -0.09 0.00 0.00 1.20 0.00 0.00 173.24 174.41 3i8h n ALA 51 N 2.93 0.00 -2.70 5.45 0.00 -1.26 -4.98 120.51 119.95 3i8h n ALA 51 Ca -0.13 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.25 3i8h n ALA 51 Cb 0.58 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.13 3i8h n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i8h n LEU 52 N 0.00 -1.89 -4.67 0.00 4.77 -1.26 -4.65 117.00 109.29 3i8h n LEU 52 Ca 0.00 -3.03 -0.45 0.00 -0.03 0.00 0.00 56.01 52.49 3i8h n LEU 52 Cb 0.00 0.82 -0.04 0.00 -2.33 0.00 0.00 43.42 41.87 3i8h n LEU 52 CO 0.00 1.86 1.21 0.54 -1.33 0.00 0.00 177.39 179.66 3i8h n ARG 53 N 0.20 2.22 -2.61 3.23 3.00 -1.26 -4.48 116.66 116.96 3i8h n ARG 53 Ca -0.01 0.80 -0.42 0.00 -0.01 0.00 0.00 57.85 58.21 3i8h n ARG 53 Cb 0.73 -2.57 -0.03 0.00 0.00 0.00 0.00 32.46 30.59 3i8h n ARG 53 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3i8h s LYS 54 N 0.88 4.47 0.39 5.56 3.01 -1.26 -1.31 119.74 131.47 3i8h s LYS 54 Ca 0.78 1.52 0.04 0.00 -1.01 0.00 0.00 55.97 57.29 3i8h s LYS 54 Cb -0.66 -3.47 -0.04 0.00 -1.01 0.00 0.00 37.83 32.65 3i8h s LYS 54 CO 0.38 -0.21 0.08 0.08 0.51 0.00 0.00 175.35 176.19 3i8h s VAL 55 N 1.42 1.00 -0.17 3.17 1.01 -1.03 -2.53 120.40 123.26 3i8h s VAL 55 Ca 0.53 -2.00 -0.07 0.00 0.00 0.00 0.00 61.98 60.44 3i8h s VAL 55 Cb -0.23 -2.55 0.07 0.00 0.00 0.00 0.00 36.38 33.68 3i8h s VAL 55 CO 0.25 0.00 0.38 0.00 0.00 0.00 0.00 175.10 175.73 3i8h s ALA 56 N -3.18 -0.98 0.04 5.51 0.00 -0.75 -3.25 121.76 119.16 3i8h s ALA 56 Ca 0.27 1.38 -0.30 0.00 0.00 0.00 0.00 51.96 53.32 3i8h s ALA 56 Cb 0.05 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 3i8h s ALA 56 CO 0.14 -0.54 1.08 0.15 0.00 0.00 0.00 175.76 176.58 3i8h s LYS 57 N 2.10 4.51 -0.16 0.00 -0.14 0.15 -1.18 119.74 125.04 3i8h s LYS 57 Ca -0.04 1.58 -0.00 0.00 -1.36 0.00 0.00 55.97 56.15 3i8h s LYS 57 Cb -0.11 -3.40 0.04 0.00 -1.68 0.00 0.00 37.83 32.68 3i8h s LYS 57 CO -0.12 -0.12 -0.06 0.08 -0.76 0.00 0.00 175.35 174.37 3i8h s VAL 58 N 0.92 1.12 -0.19 3.17 1.01 0.20 -0.91 120.40 125.72 3i8h s VAL 58 Ca 0.54 -0.57 -0.18 0.00 0.00 0.00 0.00 61.98 61.78 3i8h s VAL 58 Cb -0.25 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3i8h s VAL 58 CO 0.29 0.19 0.49 -0.60 0.00 0.00 0.00 175.10 175.46 3i8h s ARG 59 N 1.64 4.21 0.38 2.72 3.52 0.45 -1.79 118.95 130.08 3i8h s ARG 59 Ca 0.02 0.38 0.00 0.00 -0.13 0.00 0.00 55.73 56.00 3i8h s ARG 59 Cb -0.15 -3.53 -0.00 0.00 -1.56 0.00 0.00 34.95 29.71 3i8h s ARG 59 CO -0.08 -0.07 0.01 1.47 -0.81 0.00 0.00 175.30 175.83 3i8h n LEU 60 N 4.52 0.00 -0.03 -0.88 -0.00 -1.26 -0.01 117.00 119.34 3i8h n LEU 60 Ca -0.06 -2.42 -0.01 0.00 -0.00 0.00 0.00 56.01 53.53 3i8h n LEU 60 Cb 0.51 0.34 -0.01 0.00 -0.00 0.00 0.00 43.42 44.26 3i8h n LEU 60 CO 0.42 -0.35 0.40 0.35 -0.00 0.00 0.00 177.39 178.21 3i8h n THR 61 N -0.93 -0.05 0.00 1.47 -2.24 -1.20 -1.77 114.28 109.56 3i8h n THR 61 Ca -0.14 1.26 0.00 0.00 -2.27 0.00 0.00 64.05 62.89 3i8h n THR 61 Cb 0.49 -1.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 3i8h n THR 61 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3i8h n SER 62 N -2.99 0.00 0.00 3.42 7.64 -1.26 -4.70 113.62 115.73 3i8h n SER 62 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3i8h n SER 62 Cb 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 3i8h n SER 62 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i8h n GLY 63 N 0.32 0.53 0.00 0.23 0.00 -0.73 -4.92 105.19 100.63 3i8h n GLY 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i8h n GLY 63 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i8h n TYR 64 N -1.98 0.00 0.00 1.61 4.02 -1.26 -4.87 117.16 114.67 3i8h n TYR 64 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3i8h n TYR 64 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3i8h n TYR 64 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 3i8h n GLU 65 N 0.00 0.00 -4.47 -0.72 2.13 -1.26 -4.53 120.64 111.80 3i8h n GLU 65 Ca 0.00 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 3i8h n GLU 65 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 3i8h n GLU 65 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3i8h s VAL 66 N 0.00 1.09 0.15 6.31 -7.23 -0.74 -4.86 120.40 115.11 3i8h s VAL 66 Ca 0.00 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 3i8h s VAL 66 Cb 0.00 -2.70 -0.05 0.00 0.56 0.00 0.00 36.38 34.18 3i8h s VAL 66 CO 0.00 0.00 0.38 0.42 -0.31 0.00 0.00 175.10 175.59 3i8h s THR 67 N -3.28 5.17 -0.07 5.32 -4.23 -1.26 0.58 115.64 117.88 3i8h s THR 67 Ca 0.34 -0.02 -0.06 0.00 -1.18 0.00 0.00 61.69 60.77 3i8h s THR 67 Cb 0.08 -3.64 0.02 0.00 1.34 0.00 0.00 72.50 70.30 3i8h s THR 67 CO 0.15 0.00 0.18 0.00 -0.54 0.00 0.00 174.62 174.41 3i8h s ALA 68 N -1.70 -0.42 0.46 3.99 0.00 -0.32 -3.81 121.76 119.96 3i8h s ALA 68 Ca 0.41 0.54 -0.22 0.00 0.00 0.00 0.00 51.96 52.69 3i8h s ALA 68 Cb -0.12 -0.32 -0.08 0.00 0.00 0.00 0.00 23.12 22.60 3i8h s ALA 68 CO 0.25 -0.10 1.06 -0.47 0.00 0.00 0.00 175.76 176.51 3i8h s TYR 69 N 0.26 3.04 -0.39 0.00 5.04 -0.44 -1.81 117.35 123.05 3i8h s TYR 69 Ca -0.01 1.59 -0.02 0.00 -2.44 0.00 0.00 57.07 56.18 3i8h s TYR 69 Cb -0.03 -3.14 0.10 0.00 0.35 0.00 0.00 41.96 39.25 3i8h s TYR 69 CO -0.01 -0.90 0.18 0.42 -1.34 0.00 0.00 175.55 173.89 3i8h s ILE 70 N -1.82 3.18 0.81 3.14 1.01 -1.05 -0.80 121.20 125.67 3i8h s ILE 70 Ca 0.64 -2.03 -0.11 0.00 0.00 0.00 0.00 60.65 59.15 3i8h s ILE 70 Cb -0.20 -3.17 0.09 0.00 0.01 0.00 0.00 42.46 39.19 3i8h s ILE 70 CO 0.24 -0.64 1.13 -2.84 0.00 0.00 0.00 174.94 172.84 3i8h s PRO 71 N 1.13 1.78 0.00 2.79 0.02 -1.26 -4.69 135.00 134.77 3i8h s PRO 71 Ca 0.08 1.44 0.00 0.00 0.02 0.00 0.00 61.00 62.54 3i8h s PRO 71 Cb -0.22 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.48 3i8h s PRO 71 CO -0.04 -2.04 0.00 0.41 -0.33 0.00 0.00 177.00 174.99 3i8h n GLY 72 N -0.31 -1.66 3.54 0.52 0.00 -1.26 -4.84 105.19 101.17 3i8h n GLY 72 Ca 0.11 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 3i8h n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i8h s GLU 73 N -2.36 3.38 0.00 1.61 2.02 -1.26 -4.83 118.70 117.27 3i8h s GLU 73 Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 54.97 54.84 3i8h s GLU 73 Cb 0.00 -3.95 0.00 0.00 0.10 0.00 0.00 34.13 30.28 3i8h s GLU 73 CO 0.00 -1.15 0.00 0.41 0.02 0.00 0.00 175.26 174.54 3i8h n GLY 74 N 5.01 -3.28 3.41 -1.39 0.00 -1.26 -4.77 105.19 102.91 3i8h n GLY 74 Ca 0.02 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 3i8h n GLY 74 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3i8h s HIS 75 N -1.06 1.79 -0.22 1.61 -3.43 -1.26 -4.80 115.29 107.91 3i8h s HIS 75 Ca 0.00 -1.52 0.14 0.00 -0.80 0.00 0.00 55.06 52.88 3i8h s HIS 75 Cb 0.00 -0.94 0.46 0.00 -1.43 0.00 0.00 32.58 30.67 3i8h s HIS 75 CO 0.00 -0.62 1.18 0.27 -2.00 0.00 0.00 174.74 173.56 3i8h n ASN 76 N -1.56 2.87 -4.84 7.38 6.94 -1.26 -5.08 115.26 119.70 3i8h n ASN 76 Ca 0.01 -3.19 -0.37 0.00 -0.02 0.00 0.00 54.58 51.00 3i8h n ASN 76 Cb 0.63 -0.41 -0.06 0.00 -2.36 0.00 0.00 39.78 37.58 3i8h n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3i8h s LEU 77 N -3.06 4.42 0.20 -4.53 1.43 -1.26 -4.93 118.68 110.94 3i8h s LEU 77 Ca 0.40 0.71 0.03 0.00 -1.03 0.00 0.00 54.13 54.24 3i8h s LEU 77 Cb 0.38 -2.35 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 3i8h s LEU 77 CO -0.03 0.34 -0.01 -1.10 0.23 0.00 0.00 176.35 175.77 3i8h s GLN 78 N -0.91 1.22 0.36 1.70 -0.21 -1.26 -4.92 119.66 115.64 3i8h s GLN 78 Ca 0.19 -1.60 0.19 0.00 0.02 0.00 0.00 55.36 54.17 3i8h s GLN 78 Cb -0.14 -0.48 0.67 0.00 1.00 0.00 0.00 33.01 34.06 3i8h s GLN 78 CO 0.08 -0.09 0.82 -1.91 -2.12 0.00 0.00 175.29 172.07 3i8h n GLU 79 N -0.32 0.01 -0.12 2.91 2.13 -1.26 0.44 120.64 124.43 3i8h n GLU 79 Ca -0.06 0.63 0.06 0.00 0.66 0.00 0.00 57.16 58.45 3i8h n GLU 79 Cb 0.63 -1.54 0.08 0.00 0.27 0.00 0.00 31.44 30.89 3i8h n GLU 79 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3i8h n HIS 80 N -2.63 0.00 -2.09 4.31 8.25 -1.26 -3.85 115.22 117.95 3i8h n HIS 80 Ca 0.17 -0.70 -0.38 0.00 -0.26 0.00 0.00 57.72 56.55 3i8h n HIS 80 Cb 1.00 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 32.00 3i8h n HIS 80 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3i8h s SER 81 N -2.08 6.10 -0.18 0.41 0.01 0.17 -4.69 113.70 113.44 3i8h s SER 81 Ca 0.19 2.53 -0.12 0.00 1.31 0.00 0.00 55.95 59.87 3i8h s SER 81 Cb 0.17 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 3i8h s SER 81 CO 0.02 -0.98 0.20 -0.69 0.41 0.00 0.00 173.24 172.20 3i8h s VAL 82 N -1.37 5.36 0.03 3.43 1.01 -1.26 -0.32 120.40 127.28 3i8h s VAL 82 Ca 0.62 0.35 -0.03 0.00 0.00 0.00 0.00 61.98 62.92 3i8h s VAL 82 Cb -0.35 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 3i8h s VAL 82 CO 0.43 0.42 0.03 0.54 0.00 0.00 0.00 175.10 176.52 3i8h s VAL 83 N 0.40 0.13 -0.17 2.92 0.11 0.39 -2.02 120.40 122.16 3i8h s VAL 83 Ca 0.12 -1.09 -0.12 0.00 -2.93 0.00 0.00 61.98 57.96 3i8h s VAL 83 Cb -0.12 -0.69 -0.05 0.00 -1.53 0.00 0.00 36.38 33.99 3i8h s VAL 83 CO 0.01 -0.60 0.24 -0.22 -3.33 0.00 0.00 175.10 171.20 3i8h s LEU 84 N -1.90 4.24 0.25 2.54 2.96 -1.26 -1.88 118.68 123.63 3i8h s LEU 84 Ca -0.09 0.43 -0.20 0.00 -0.22 0.00 0.00 54.13 54.05 3i8h s LEU 84 Cb -0.04 -2.28 -0.09 0.00 0.50 0.00 0.00 46.19 44.28 3i8h s LEU 84 CO -0.03 0.13 0.77 -0.51 -1.32 0.00 0.00 176.35 175.39 3i8h s ILE 85 N 0.37 4.51 -0.04 6.68 1.10 0.16 0.24 121.20 134.22 3i8h s ILE 85 Ca 0.14 1.36 0.02 0.00 -0.51 0.00 0.00 60.65 61.66 3i8h s ILE 85 Cb -0.12 -3.86 -0.04 0.00 0.15 0.00 0.00 42.46 38.59 3i8h s ILE 85 CO 0.02 0.15 -0.01 -1.14 -2.11 0.00 0.00 174.94 171.85 3i8h n ARG 86 N 0.57 1.72 -0.02 3.50 0.63 0.31 -3.11 116.66 120.26 3i8h n ARG 86 Ca -0.01 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3i8h n ARG 86 Cb 0.51 -1.09 0.00 0.00 0.45 0.00 0.00 32.46 32.33 3i8h n ARG 86 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i8h n GLY 87 N 3.03 0.92 0.00 5.14 0.00 -1.26 -4.79 105.19 108.24 3i8h n GLY 87 Ca -0.07 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3i8h n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8h n GLY 88 N 2.52 3.16 3.91 -0.02 0.00 -0.87 -4.33 105.19 109.56 3i8h n GLY 88 Ca 0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 3i8h n GLY 88 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i8h s ARG 89 N -2.70 0.52 -0.51 1.61 1.04 -1.11 -3.23 118.95 114.57 3i8h s ARG 89 Ca 0.00 -0.40 0.03 0.00 -1.04 0.00 0.00 55.73 54.32 3i8h s ARG 89 Cb 0.00 -1.83 0.15 0.00 -2.04 0.00 0.00 34.95 31.23 3i8h s ARG 89 CO 0.00 -2.50 0.33 0.08 -0.04 0.00 0.00 175.30 173.17 3i8h s VAL 90 N -3.85 1.65 0.01 4.99 1.01 -1.17 -4.94 120.40 118.10 3i8h s VAL 90 Ca 0.74 -3.09 0.00 0.00 0.00 0.00 0.00 61.98 59.64 3i8h s VAL 90 Cb -0.04 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.22 3i8h s VAL 90 CO 0.53 -0.99 0.03 1.17 0.00 0.00 0.00 175.10 175.84 3i8h n LYS 91 N 2.95 -0.00 0.18 2.72 3.00 -1.26 0.20 118.16 125.94 3i8h n LYS 91 Ca 0.16 0.02 0.04 0.00 -0.00 0.00 0.00 58.31 58.53 3i8h n LYS 91 Cb 0.37 -0.04 0.34 0.00 0.00 0.00 0.00 35.03 35.70 3i8h n LYS 91 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3i8h h ASP 92 N 0.00 0.00 -3.79 3.14 5.19 -1.96 -3.40 116.42 115.60 3i8h h ASP 92 Ca 0.01 0.00 -0.72 0.00 -0.62 0.00 0.00 57.03 55.70 3i8h h ASP 92 Cb 0.03 0.00 -0.34 0.00 0.18 0.00 0.00 39.33 39.20 3i8h h ASP 92 CO -0.01 0.41 -0.16 -0.76 -3.12 0.00 0.00 179.24 175.59 3i8h s LEU 93 N -7.60 5.60 -0.04 1.55 1.43 0.52 -0.37 118.68 119.79 3i8h s LEU 93 Ca -0.01 -3.21 -0.36 0.00 -1.03 0.00 0.00 54.13 49.51 3i8h s LEU 93 Cb 0.13 -1.94 -0.14 0.00 0.03 0.00 0.00 46.19 44.27 3i8h s LEU 93 CO 0.71 -0.32 1.64 -2.65 0.23 0.00 0.00 176.35 175.96 3i8h n PRO 94 N 3.06 1.65 0.00 1.29 -0.02 -1.26 -0.59 135.00 139.12 3i8h n PRO 94 Ca 0.15 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3i8h n PRO 94 Cb 0.39 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3i8h n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i8h n GLY 95 N 3.65 2.33 3.60 -1.23 0.00 -1.26 -5.02 105.19 107.27 3i8h n GLY 95 Ca 0.21 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 3i8h n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8h s VAL 96 N -1.77 4.29 -0.23 1.61 1.01 0.24 -4.61 120.40 120.94 3i8h s VAL 96 Ca 0.00 1.26 0.07 0.00 0.00 0.00 0.00 61.98 63.31 3i8h s VAL 96 Cb 0.00 -4.55 -0.09 0.00 0.00 0.00 0.00 36.38 31.74 3i8h s VAL 96 CO 0.00 -0.90 0.26 -1.14 0.00 0.00 0.00 175.10 173.32 3i8h n ARG 97 N 7.59 3.16 -4.43 2.72 0.63 -1.25 -3.03 116.66 122.06 3i8h n ARG 97 Ca 0.11 -0.02 -0.21 0.00 -0.92 0.00 0.00 57.85 56.81 3i8h n ARG 97 Cb 0.49 -0.95 -0.10 0.00 0.45 0.00 0.00 32.46 32.34 3i8h n ARG 97 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3i8h s TYR 98 N -1.95 1.88 0.12 -0.14 1.51 -1.20 -2.06 117.35 115.50 3i8h s TYR 98 Ca 0.01 -1.02 0.10 0.00 -1.01 0.00 0.00 57.07 55.15 3i8h s TYR 98 Cb 0.05 -1.20 -0.04 0.00 -0.11 0.00 0.00 41.96 40.66 3i8h s TYR 98 CO 0.30 -0.07 -0.25 -1.01 -1.11 0.00 0.00 175.55 173.40 3i8h s HIS 99 N -3.38 2.16 -0.32 2.71 3.76 -1.23 -1.33 115.29 117.65 3i8h s HIS 99 Ca 0.36 -0.39 -0.19 0.00 -0.15 0.00 0.00 55.06 54.69 3i8h s HIS 99 Cb 0.08 -1.17 -0.01 0.00 1.11 0.00 0.00 32.58 32.59 3i8h s HIS 99 CO 0.15 0.30 0.57 0.42 -0.85 0.00 0.00 174.74 175.33 3i8h s ILE 100 N -1.09 4.98 0.01 0.60 1.01 0.02 0.11 121.20 126.85 3i8h s ILE 100 Ca 0.12 0.64 -0.30 0.00 0.00 0.00 0.00 60.65 61.10 3i8h s ILE 100 Cb -0.10 -3.97 -0.08 0.00 0.01 0.00 0.00 42.46 38.32 3i8h s ILE 100 CO 0.05 -0.16 1.82 -0.69 0.00 0.00 0.00 174.94 175.97 3i8h s VAL 101 N 2.50 3.19 0.48 2.92 1.01 0.14 -4.62 120.40 126.02 3i8h s VAL 101 Ca 0.22 0.31 -0.15 0.00 0.00 0.00 0.00 61.98 62.36 3i8h s VAL 101 Cb -0.15 -3.20 -0.07 0.00 0.00 0.00 0.00 36.38 32.96 3i8h s VAL 101 CO 0.12 -0.02 0.92 -0.13 0.00 0.00 0.00 175.10 175.99 3i8h s ARG 102 N 4.03 3.89 0.00 2.72 0.52 -1.26 -3.71 118.95 125.15 3i8h s ARG 102 Ca 0.81 0.80 0.00 0.00 -0.52 0.00 0.00 55.73 56.83 3i8h s ARG 102 Cb -0.39 -2.21 0.00 0.00 0.52 0.00 0.00 34.95 32.86 3i8h s ARG 102 CO 0.36 -0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.89 3i8h n GLY 103 N -1.49 0.62 3.22 -3.53 0.00 -0.57 -3.99 105.19 99.44 3i8h n GLY 103 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3i8h n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8h s VAL 104 N -2.54 2.48 0.00 1.61 1.01 -0.98 -4.89 120.40 117.09 3i8h s VAL 104 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3i8h s VAL 104 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.33 3i8h s VAL 104 CO 0.00 0.52 0.00 -1.22 0.00 0.00 0.00 175.10 174.40 3i8h n TYR 105 N 4.29 0.00 0.45 5.22 4.02 -1.26 -1.79 117.16 128.09 3i8h n TYR 105 Ca -0.20 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.73 3i8h n TYR 105 Cb 0.51 0.03 0.19 0.00 -0.02 0.00 0.00 39.34 40.06 3i8h n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3i8h n ASP 106 N 1.81 0.00 -4.58 7.72 8.00 -0.86 -4.53 116.55 124.11 3i8h n ASP 106 Ca 0.00 -0.25 -0.41 0.00 0.71 0.00 0.00 54.79 54.84 3i8h n ASP 106 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 3i8h n ASP 106 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i8h s ALA 107 N -2.00 3.50 -0.04 2.24 0.00 -0.74 -4.72 121.76 120.00 3i8h s ALA 107 Ca 0.10 -0.79 -0.09 0.00 0.00 0.00 0.00 51.96 51.18 3i8h s ALA 107 Cb 0.04 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 3i8h s ALA 107 CO 0.08 -1.17 0.27 0.00 0.00 0.00 0.00 175.76 174.94 3i8h s ALA 108 N 2.58 3.81 0.69 0.00 0.00 -1.26 -1.52 121.76 126.06 3i8h s ALA 108 Ca 0.23 -0.48 -0.17 0.00 0.00 0.00 0.00 51.96 51.54 3i8h s ALA 108 Cb -0.15 -2.14 0.01 0.00 0.00 0.00 0.00 23.12 20.85 3i8h s ALA 108 CO 0.13 0.58 1.26 0.41 0.00 0.00 0.00 175.76 178.14 3i8h n GLY 109 N 1.62 0.38 3.66 0.00 0.00 -1.16 -4.34 105.19 105.35 3i8h n GLY 109 Ca -0.15 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 3i8h n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i8h n VAL 110 N -2.27 0.71 -2.76 1.61 0.31 -0.79 -4.92 118.33 110.21 3i8h n VAL 110 Ca 0.15 -0.16 -0.33 0.00 -0.01 0.00 0.00 64.34 63.99 3i8h n VAL 110 Cb 0.49 -2.27 -0.06 0.00 -0.91 0.00 0.00 33.84 31.08 3i8h n VAL 110 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3i8h s LYS 111 N 4.61 4.14 -1.45 5.55 2.20 -1.26 -3.36 119.74 130.16 3i8h s LYS 111 Ca 0.91 1.18 0.00 0.00 -0.36 0.00 0.00 55.97 57.70 3i8h s LYS 111 Cb -0.47 -2.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.68 3i8h s LYS 111 CO 0.43 -0.12 0.00 -0.25 -0.36 0.00 0.00 175.35 175.05 3i8h n ASP 112 N -0.70 -4.91 -4.51 1.43 9.92 -1.26 -4.97 116.55 111.55 3i8h n ASP 112 Ca 0.07 0.03 -0.41 0.00 -0.53 0.00 0.00 54.79 53.95 3i8h n ASP 112 Cb 0.54 -4.01 -0.10 0.00 -0.64 0.00 0.00 41.12 36.91 3i8h n ASP 112 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 3i8h s ARG 113 N -4.68 3.35 -0.01 -1.24 6.06 -1.21 -4.94 118.95 116.28 3i8h s ARG 113 Ca 0.00 -0.72 0.15 0.00 -2.50 0.00 0.00 55.73 52.66 3i8h s ARG 113 Cb 0.00 -3.86 -0.21 0.00 0.06 0.00 0.00 34.95 30.94 3i8h s ARG 113 CO 0.00 -0.54 0.43 1.63 -2.50 0.00 0.00 175.30 174.32 3i8h n LYS 114 N 5.16 1.04 0.00 5.12 5.02 -1.26 -4.77 118.16 128.47 3i8h n LYS 114 Ca -0.12 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 3i8h n LYS 114 Cb 0.49 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 3i8h n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i8h n LYS 115 N -1.79 0.00 -0.01 1.97 4.76 -1.26 -4.61 118.16 117.22 3i8h n LYS 115 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 3i8h n LYS 115 Cb 0.34 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.53 3i8h n LYS 115 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3i8h n SER 116 N 0.00 0.53 -0.39 4.39 7.64 -1.26 -4.59 113.62 119.94 3i8h n SER 116 Ca 0.00 -0.41 0.30 0.00 1.01 0.00 0.00 58.87 59.77 3i8h n SER 116 Cb 0.00 -0.09 0.48 0.00 -1.01 0.00 0.00 64.21 63.58 3i8h n SER 116 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i8h n ARG 117 N 1.01 -0.01 -0.31 1.43 1.74 -1.26 -0.58 116.66 118.68 3i8h n ARG 117 Ca 0.00 0.69 0.07 0.00 -0.77 0.00 0.00 57.85 57.83 3i8h n ARG 117 Cb 0.08 -1.51 0.23 0.00 -1.02 0.00 0.00 32.46 30.23 3i8h n ARG 117 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3i8h h SER 118 N 0.00 0.67 -2.43 0.55 0.87 -1.82 -2.07 113.55 109.32 3i8h h SER 118 Ca 0.56 0.07 -0.47 0.00 -1.23 0.00 0.00 61.79 60.73 3i8h h SER 118 Cb 2.15 -0.05 0.11 0.00 -0.44 0.00 0.00 62.40 64.17 3i8h h SER 118 CO -0.08 0.32 0.19 -0.54 -0.53 0.00 0.00 176.83 176.19 3i8h s LYS 119 N -5.97 1.25 -1.68 2.24 1.02 0.26 -3.93 119.74 112.93 3i8h s LYS 119 Ca -0.12 -1.06 0.00 0.00 0.02 0.00 0.00 55.97 54.81 3i8h s LYS 119 Cb 0.22 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 3i8h s LYS 119 CO 0.79 -1.81 0.00 0.66 -0.92 0.00 0.00 175.35 174.07 3i8h n TYR 120 N -3.13 -0.22 -0.93 3.18 4.02 -1.26 -4.04 117.16 114.79 3i8h n TYR 120 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 3i8h n TYR 120 Cb 0.60 -2.90 0.00 0.00 -0.02 0.00 0.00 39.34 37.02 3i8h n TYR 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i8h n GLY 121 N -0.27 0.00 2.71 2.72 0.00 -1.21 -1.89 105.19 107.26 3i8h n GLY 121 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 3i8h n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i8h s THR 122 N -0.03 0.23 1.11 2.61 2.01 -0.78 -2.99 115.64 117.80 3i8h s THR 122 Ca 0.00 -0.03 -0.20 0.00 0.31 0.00 0.00 61.69 61.77 3i8h s THR 122 Cb 0.00 -0.59 0.07 0.00 0.01 0.00 0.00 72.50 72.00 3i8h s THR 122 CO 0.00 0.03 -0.19 0.29 -0.69 0.00 0.00 174.62 174.06 3i8h n LYS 123 N 5.18 -1.46 -2.64 4.92 4.76 -1.26 -4.63 118.16 123.03 3i8h n LYS 123 Ca -0.07 -0.41 -0.43 0.00 -2.87 0.00 0.00 58.31 54.54 3i8h n LYS 123 Cb 0.49 -1.62 -0.02 0.00 -1.84 0.00 0.00 35.03 32.04 3i8h n LYS 123 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3i8h s LYS 124 N -3.27 4.36 0.09 1.97 2.47 -1.26 -5.01 119.74 119.09 3i8h s LYS 124 Ca 0.54 1.43 -0.31 0.00 -1.56 0.00 0.00 55.97 56.08 3i8h s LYS 124 Cb -0.09 -3.58 -0.06 0.00 -1.46 0.00 0.00 37.83 32.64 3i8h s LYS 124 CO 0.66 -0.43 1.22 -1.25 0.16 0.00 0.00 175.35 175.71 3i8h s PRO 125 N 2.42 4.43 0.37 4.03 0.04 -1.26 -5.02 135.00 140.02 3i8h s PRO 125 Ca 0.49 1.82 -0.15 0.00 0.04 0.00 0.00 61.00 63.19 3i8h s PRO 125 Cb -0.18 -3.31 -0.09 0.00 0.04 0.00 0.00 34.50 30.95 3i8h s PRO 125 CO 0.15 -0.24 0.80 0.21 0.04 0.00 0.00 177.00 177.97 3i8h s LYS 126 N 0.80 4.00 0.00 4.56 2.47 -1.26 -5.00 119.74 125.31 3i8h s LYS 126 Ca 0.58 0.75 0.19 0.00 -1.56 0.00 0.00 55.97 55.93 3i8h s LYS 126 Cb -0.31 -2.35 0.32 0.00 -1.46 0.00 0.00 37.83 34.03 3i8h s LYS 126 CO 0.31 0.05 1.12 -0.85 0.16 0.00 0.00 175.35 176.14 3i8h n GLU 127 N -0.69 0.00 -4.43 4.03 0.00 -1.26 -5.11 120.64 113.18 3i8h n GLU 127 Ca 0.04 -1.73 -0.21 0.00 0.00 0.00 0.00 57.16 55.26 3i8h n GLU 127 Cb 0.54 0.10 -0.10 0.00 0.00 0.00 0.00 31.44 31.98 3i8h n GLU 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i8h s ALA 128 N 0.00 2.34 -0.27 -1.84 0.00 -1.26 -5.39 121.76 115.34 3i8h s ALA 128 Ca 0.25 -1.94 0.02 0.00 0.00 0.00 0.00 51.96 50.30 3i8h s ALA 128 Cb 0.29 0.30 0.02 0.00 0.00 0.00 0.00 23.12 23.73 3i8h s ALA 128 CO -0.13 -0.13 0.57 0.00 0.00 0.00 0.00 175.76 176.07