#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mr8 s ARG 3 N 0.00 2.60 0.00 0.00 0.52 -1.26 -4.46 118.95 116.35 3mr8 s ARG 3 Ca 0.00 -0.36 0.00 0.00 -0.52 0.00 0.00 55.73 54.85 3mr8 s ARG 3 Cb 0.00 -5.08 0.00 0.00 0.52 0.00 0.00 34.95 30.39 3mr8 s ARG 3 CO 0.00 -3.35 0.10 -0.89 0.02 0.00 0.00 175.30 171.18 3mr8 n ILE 4 N 7.83 0.00 -1.46 1.52 2.08 -0.11 -4.34 119.36 124.88 3mr8 n ILE 4 Ca 0.40 0.38 -0.42 0.00 0.56 0.00 0.00 62.75 63.67 3mr8 n ILE 4 Cb 0.47 -0.92 -0.04 0.00 -0.75 0.00 0.00 39.64 38.40 3mr8 n ILE 4 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3mr8 n ALA 5 N -2.07 3.80 0.00 -1.39 0.00 -1.25 -4.63 120.51 114.98 3mr8 n ALA 5 Ca 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 53.44 49.97 3mr8 n ALA 5 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 15.85 3mr8 n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mr8 n GLY 6 N 4.56 0.67 0.00 0.00 0.00 -1.26 -2.94 105.19 106.22 3mr8 n GLY 6 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 3mr8 n GLY 6 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mr8 n VAL 7 N 0.00 0.00 -1.83 1.61 0.31 -1.26 -5.01 118.33 112.15 3mr8 n VAL 7 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 3mr8 n VAL 7 Cb 0.00 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 3mr8 n VAL 7 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3mr8 s GLU 8 N -1.30 4.00 -0.40 5.55 2.02 -1.15 -4.81 118.70 122.61 3mr8 s GLU 8 Ca 0.00 2.49 0.06 0.00 0.02 0.00 0.00 54.97 57.55 3mr8 s GLU 8 Cb 0.00 -2.88 0.22 0.00 0.10 0.00 0.00 34.13 31.57 3mr8 s GLU 8 CO 0.00 -0.59 0.46 -0.89 0.02 0.00 0.00 175.26 174.26 3mr8 n ILE 9 N 0.28 -0.89 -1.80 -1.63 5.41 -1.26 -0.93 119.36 118.55 3mr8 n ILE 9 Ca 0.02 -3.71 -0.40 0.00 1.00 0.00 0.00 62.75 59.66 3mr8 n ILE 9 Cb 0.40 -1.75 -0.03 0.00 -0.71 0.00 0.00 39.64 37.55 3mr8 n ILE 9 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3mr8 n PRO 10 N 1.99 2.26 -2.37 0.38 -0.04 -1.26 -4.90 135.00 131.06 3mr8 n PRO 10 Ca 0.24 -2.48 -0.28 0.00 -0.04 0.00 0.00 63.50 60.94 3mr8 n PRO 10 Cb 0.51 -3.31 0.01 0.00 -0.04 0.00 0.00 33.50 30.68 3mr8 n PRO 10 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3mr8 s ARG 11 N 4.62 3.36 -0.99 0.54 0.52 -1.26 -4.66 118.95 121.08 3mr8 s ARG 11 Ca 0.56 0.28 -0.09 0.00 -0.52 0.00 0.00 55.73 55.96 3mr8 s ARG 11 Cb 0.09 -2.27 -0.03 0.00 0.52 0.00 0.00 34.95 33.27 3mr8 s ARG 11 CO 0.06 -0.45 0.81 0.09 0.02 0.00 0.00 175.30 175.82 3mr8 n ASN 12 N -2.49 -6.34 0.00 0.23 3.02 -1.26 -4.99 115.26 103.43 3mr8 n ASN 12 Ca 0.03 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 3mr8 n ASN 12 Cb 0.56 -4.35 0.00 0.00 -0.61 0.00 0.00 39.78 35.37 3mr8 n ASN 12 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3mr8 n LYS 13 N -3.18 -1.86 -1.59 3.52 4.81 -1.26 -4.97 118.16 113.62 3mr8 n LYS 13 Ca -0.08 0.00 -0.49 0.00 -0.87 0.00 0.00 58.31 56.87 3mr8 n LYS 13 Cb 0.59 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.60 3mr8 n LYS 13 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3mr8 n ARG 14 N -0.00 1.30 -0.25 1.64 5.12 -1.26 -2.62 116.66 120.58 3mr8 n ARG 14 Ca 0.00 0.46 -0.06 0.00 -1.93 0.00 0.00 57.85 56.32 3mr8 n ARG 14 Cb 0.00 -2.00 0.05 0.00 -1.16 0.00 0.00 32.46 29.35 3mr8 n ARG 14 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 3mr8 h VAL 15 N 2.80 1.24 -0.35 1.55 -1.51 -1.57 0.27 116.25 118.69 3mr8 h VAL 15 Ca -0.44 -0.73 -0.04 0.00 -1.23 0.00 0.00 66.70 64.26 3mr8 h VAL 15 Cb 1.33 0.42 -0.01 0.00 -2.13 0.00 0.00 31.29 30.90 3mr8 h VAL 15 CO 0.72 0.30 0.07 -2.24 -1.23 0.00 0.00 177.57 175.18 3mr8 h ASP 16 N 0.99 0.54 0.06 4.19 -0.00 -1.88 -2.55 116.42 117.76 3mr8 h ASP 16 Ca 0.24 -0.25 -0.08 0.00 -0.00 0.00 0.00 57.03 56.93 3mr8 h ASP 16 Cb 0.18 -0.14 -0.01 0.00 -0.00 0.00 0.00 39.33 39.35 3mr8 h ASP 16 CO -0.02 0.65 -0.26 0.58 -0.00 0.00 0.00 179.24 180.19 3mr8 h VAL 17 N 0.41 1.25 -0.65 4.15 2.07 -1.85 -2.67 116.25 118.96 3mr8 h VAL 17 Ca 0.11 -1.19 0.04 0.00 0.82 0.00 0.00 66.70 66.48 3mr8 h VAL 17 Cb 0.33 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 3mr8 h VAL 17 CO 0.00 0.37 0.43 0.00 0.02 0.00 0.00 177.57 178.39 3mr8 h ALA 18 N 1.44 1.66 0.00 1.67 0.00 -0.07 -0.54 119.26 123.42 3mr8 h ALA 18 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3mr8 h ALA 18 Cb 0.61 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3mr8 h ALA 18 CO 0.04 0.27 -0.03 -0.07 0.00 0.00 0.00 179.25 179.46 3mr8 h LEU 19 N 0.76 0.00 -0.97 0.00 -0.00 -1.12 -3.13 115.31 110.84 3mr8 h LEU 19 Ca 0.26 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 58.06 3mr8 h LEU 19 Cb 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.74 3mr8 h LEU 19 CO -0.07 0.03 -0.16 0.74 -0.00 0.00 0.00 178.44 178.98 3mr8 h THR 20 N 0.00 1.25 0.00 0.22 2.02 -0.97 -2.07 112.91 113.36 3mr8 h THR 20 Ca -0.00 -1.13 -0.02 0.00 0.77 0.00 0.00 66.41 66.03 3mr8 h THR 20 Cb 0.87 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 68.45 3mr8 h THR 20 CO 0.00 0.37 -0.09 1.88 0.37 0.00 0.00 175.52 178.05 3mr8 h TYR 21 N 0.52 0.00 -3.13 3.16 -1.99 -1.48 -3.41 116.97 110.64 3mr8 h TYR 21 Ca 0.09 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.29 3mr8 h TYR 21 Cb 0.57 0.00 0.05 0.00 2.00 0.00 0.00 36.73 39.34 3mr8 h TYR 21 CO 0.02 0.09 0.80 0.42 -0.00 0.00 0.00 178.16 179.49 3mr8 s ILE 22 N -3.93 2.73 0.19 -2.88 -1.09 -0.78 -4.95 121.20 110.49 3mr8 s ILE 22 Ca -0.01 0.57 -0.31 0.00 -2.23 0.00 0.00 60.65 58.67 3mr8 s ILE 22 Cb 0.11 -3.36 -0.09 0.00 -1.58 0.00 0.00 42.46 37.54 3mr8 s ILE 22 CO 0.56 0.07 1.43 -0.47 -1.23 0.00 0.00 174.94 175.30 3mr8 s TYR 23 N 0.56 3.13 0.00 3.97 6.14 -1.26 -1.76 117.35 128.12 3mr8 s TYR 23 Ca 0.64 0.96 0.00 0.00 0.64 0.00 0.00 57.07 59.31 3mr8 s TYR 23 Cb -0.42 -3.76 0.00 0.00 0.42 0.00 0.00 41.96 38.20 3mr8 s TYR 23 CO 0.37 -2.60 0.00 0.41 0.64 0.00 0.00 175.55 174.37 3mr8 n GLY 24 N 2.89 1.76 3.30 8.97 0.00 -1.26 -2.46 105.19 118.39 3mr8 n GLY 24 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3mr8 n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mr8 s ILE 25 N -3.01 2.04 0.00 -0.61 -1.09 -0.73 -4.94 121.20 112.86 3mr8 s ILE 25 Ca 0.00 -1.09 0.00 0.00 -2.23 0.00 0.00 60.65 57.33 3mr8 s ILE 25 Cb 0.00 -1.70 0.00 0.00 -1.58 0.00 0.00 42.46 39.18 3mr8 s ILE 25 CO 0.00 0.57 0.00 0.61 -1.23 0.00 0.00 174.94 174.89 3mr8 n GLY 26 N 2.55 5.14 0.26 6.18 0.00 -1.26 -4.30 105.19 113.75 3mr8 n GLY 26 Ca -0.16 -1.32 -0.02 0.00 0.00 0.00 0.00 46.02 44.52 3mr8 n GLY 26 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3mr8 h LYS 27 N 0.00 0.67 0.34 1.61 1.63 -1.91 -0.13 116.57 118.78 3mr8 h LYS 27 Ca 0.00 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 3mr8 h LYS 27 Cb 0.00 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.48 3mr8 h LYS 27 CO 0.00 0.44 -0.16 0.00 -3.45 0.00 0.00 179.45 176.28 3mr8 h ALA 28 N 1.34 -0.45 0.00 5.00 0.00 -1.98 -3.04 119.26 120.13 3mr8 h ALA 28 Ca 0.30 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3mr8 h ALA 28 Cb 0.17 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3mr8 h ALA 28 CO -0.18 -0.49 0.00 0.00 0.00 0.00 0.00 179.25 178.58 3mr8 h ARG 29 N -0.97 0.00 -0.05 0.00 3.08 -1.94 -1.74 114.38 112.75 3mr8 h ARG 29 Ca -0.05 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 3mr8 h ARG 29 Cb 0.51 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.56 3mr8 h ARG 29 CO 0.08 0.00 -0.34 0.00 -1.07 0.00 0.00 179.97 178.64 3mr8 h ALA 30 N 2.05 0.11 -0.24 0.04 0.00 -0.98 -2.96 119.26 117.28 3mr8 h ALA 30 Ca 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 3mr8 h ALA 30 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3mr8 h ALA 30 CO 0.00 0.19 -0.27 0.87 0.00 0.00 0.00 179.25 180.03 3mr8 h LYS 31 N -0.21 0.47 -0.76 0.00 1.57 -1.23 -3.05 116.57 113.37 3mr8 h LYS 31 Ca -0.03 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.51 3mr8 h LYS 31 Cb 1.01 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.26 3mr8 h LYS 31 CO 0.07 0.70 0.26 1.49 -0.57 0.00 0.00 179.45 181.40 3mr8 h GLU 32 N 0.41 1.16 -0.36 3.15 4.22 -1.44 -1.24 114.58 120.48 3mr8 h GLU 32 Ca 0.06 -0.24 -0.09 0.00 0.08 0.00 0.00 59.36 59.17 3mr8 h GLU 32 Cb 0.69 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3mr8 h GLU 32 CO 0.05 0.97 -0.16 0.00 -2.18 0.00 0.00 179.01 177.69 3mr8 h ALA 33 N 1.16 1.05 -0.05 2.92 0.00 -1.43 -2.09 119.26 120.82 3mr8 h ALA 33 Ca 0.25 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 3mr8 h ALA 33 Cb 0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3mr8 h ALA 33 CO -0.01 0.58 -0.68 -0.07 0.00 0.00 0.00 179.25 179.07 3mr8 h LEU 34 N 0.59 0.25 0.00 0.00 3.38 -1.36 -2.10 115.31 116.07 3mr8 h LEU 34 Ca 0.10 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3mr8 h LEU 34 Cb 0.61 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3mr8 h LEU 34 CO 0.04 0.85 -0.16 -0.62 0.09 0.00 0.00 178.44 178.65 3mr8 n GLU 35 N -3.81 0.06 0.00 1.13 1.02 -0.51 0.06 120.64 118.59 3mr8 n GLU 35 Ca -0.03 0.04 0.09 0.00 -0.02 0.00 0.00 57.16 57.24 3mr8 n GLU 35 Cb 0.67 -1.56 0.03 0.00 -0.02 0.00 0.00 31.44 30.56 3mr8 n GLU 35 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3mr8 n LYS 36 N -1.65 1.58 0.00 3.49 4.76 -0.80 -4.43 118.16 121.11 3mr8 n LYS 36 Ca 0.06 -1.13 0.00 0.00 -2.87 0.00 0.00 58.31 54.38 3mr8 n LYS 36 Cb 0.36 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.21 3mr8 n LYS 36 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3mr8 n THR 37 N 0.31 0.08 -3.44 -0.18 -2.24 -0.80 -5.05 114.28 102.95 3mr8 n THR 37 Ca 0.09 -0.15 -0.19 0.00 -2.27 0.00 0.00 64.05 61.52 3mr8 n THR 37 Cb 0.40 1.45 0.06 0.00 -2.10 0.00 0.00 70.33 70.15 3mr8 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mr8 n GLY 38 N -0.04 -0.80 3.44 3.38 0.00 0.11 -5.01 105.19 106.27 3mr8 n GLY 38 Ca 0.00 0.37 -0.33 0.00 0.00 0.00 0.00 46.02 46.06 3mr8 n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mr8 s ILE 39 N -3.45 3.22 -0.14 -0.61 -1.09 -0.19 -5.04 121.20 113.91 3mr8 s ILE 39 Ca 0.28 -0.63 -0.29 0.00 -2.23 0.00 0.00 60.65 57.78 3mr8 s ILE 39 Cb -0.05 -2.33 -0.02 0.00 -1.58 0.00 0.00 42.46 38.48 3mr8 s ILE 39 CO 0.77 0.55 1.26 0.21 -1.23 0.00 0.00 174.94 176.50 3mr8 s ASN 40 N -0.09 6.96 0.60 3.58 2.47 -1.26 -4.75 114.94 122.45 3mr8 s ASN 40 Ca -0.01 1.73 0.31 0.00 0.42 0.00 0.00 52.86 55.31 3mr8 s ASN 40 Cb -0.14 -2.54 1.88 0.00 -1.45 0.00 0.00 41.25 39.00 3mr8 s ASN 40 CO 0.03 -0.73 2.25 -0.65 -3.72 0.00 0.00 177.10 174.28 3mr8 h PRO 41 N 8.10 0.00 -0.19 0.43 0.11 -1.98 -2.83 132.00 135.63 3mr8 h PRO 41 Ca -0.28 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.68 3mr8 h PRO 41 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3mr8 h PRO 41 CO 0.95 0.00 -0.46 0.00 -0.21 0.00 0.00 178.00 178.28 3mr8 h ALA 42 N 1.97 0.31 -2.98 -0.75 0.00 -1.99 -3.27 119.26 112.56 3mr8 h ALA 42 Ca 0.01 -0.48 -0.55 0.00 0.00 0.00 0.00 54.91 53.89 3mr8 h ALA 42 Cb 0.06 -0.04 0.13 0.00 0.00 0.00 0.00 17.79 17.93 3mr8 h ALA 42 CO -0.00 0.46 0.68 0.25 0.00 0.00 0.00 179.25 180.64 3mr8 n THR 43 N -4.19 2.98 -2.67 0.00 -2.24 -1.07 -4.74 114.28 102.35 3mr8 n THR 43 Ca -0.06 -0.50 -0.26 0.00 -2.27 0.00 0.00 64.05 60.95 3mr8 n THR 43 Cb 0.57 -1.80 0.01 0.00 -2.10 0.00 0.00 70.33 67.01 3mr8 n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3mr8 s ARG 44 N -2.52 3.31 0.51 -0.78 1.81 -1.26 -2.84 118.95 117.19 3mr8 s ARG 44 Ca 0.63 0.02 0.31 0.00 -1.72 0.00 0.00 55.73 54.98 3mr8 s ARG 44 Cb -0.45 -2.39 1.14 0.00 -0.45 0.00 0.00 34.95 32.81 3mr8 s ARG 44 CO 0.56 -0.32 1.90 0.28 -0.68 0.00 0.00 175.30 177.04 3mr8 h VAL 45 N 0.18 0.00 0.00 3.52 2.07 -1.83 -3.14 116.25 117.04 3mr8 h VAL 45 Ca -0.47 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.46 3mr8 h VAL 45 Cb 1.23 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 3mr8 h VAL 45 CO 0.61 0.00 0.00 0.07 0.02 0.00 0.00 177.57 178.27 3mr8 h LYS 46 N 0.00 0.00 -1.59 1.57 2.10 -1.94 -3.32 116.57 113.39 3mr8 h LYS 46 Ca 0.00 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 58.17 3mr8 h LYS 46 Cb 0.60 0.00 -0.34 0.00 -0.90 0.00 0.00 32.23 31.59 3mr8 h LYS 46 CO 0.00 0.00 -0.99 -0.40 -2.00 0.00 0.00 179.45 176.06 3mr8 n ASP 47 N -2.41 -0.39 -4.37 7.07 5.68 -1.19 -5.06 116.55 115.88 3mr8 n ASP 47 Ca 0.00 -2.86 -0.19 0.00 -0.50 0.00 0.00 54.79 51.25 3mr8 n ASP 47 Cb 0.17 -0.13 -0.10 0.00 -1.14 0.00 0.00 41.12 39.92 3mr8 n ASP 47 CO 0.00 0.00 0.00 -1.48 -1.33 0.00 0.00 177.20 174.39 3mr8 s LEU 48 N -1.24 2.51 0.46 -2.12 2.34 -1.25 -4.81 118.68 114.57 3mr8 s LEU 48 Ca 0.35 -1.09 -0.22 0.00 0.06 0.00 0.00 54.13 53.22 3mr8 s LEU 48 Cb 0.20 -0.64 -0.08 0.00 -0.56 0.00 0.00 46.19 45.11 3mr8 s LEU 48 CO -0.13 -0.25 1.12 -0.89 -1.06 0.00 0.00 176.35 175.15 3mr8 s THR 49 N -3.01 3.31 0.35 5.48 2.01 -1.26 -4.93 115.64 117.59 3mr8 s THR 49 Ca 0.25 0.94 0.02 0.00 0.31 0.00 0.00 61.69 63.22 3mr8 s THR 49 Cb 0.01 -3.46 0.26 0.00 0.01 0.00 0.00 72.50 69.32 3mr8 s THR 49 CO 0.09 -0.05 2.00 -0.33 -0.69 0.00 0.00 174.62 175.64 3mr8 h GLU 50 N 1.98 0.84 -0.28 4.92 3.07 -2.00 -1.27 114.58 121.83 3mr8 h GLU 50 Ca -0.49 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.28 3mr8 h GLU 50 Cb 1.24 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.95 3mr8 h GLU 50 CO 0.60 0.56 0.05 0.00 -1.40 0.00 0.00 179.01 178.83 3mr8 h ALA 51 N 1.59 0.37 -0.00 3.43 0.00 -2.00 -2.77 119.26 119.88 3mr8 h ALA 51 Ca 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3mr8 h ALA 51 Cb -0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3mr8 h ALA 51 CO -0.05 0.04 -0.04 0.93 0.00 0.00 0.00 179.25 180.13 3mr8 h GLU 52 N 0.28 0.00 0.15 0.00 5.08 -1.75 0.12 114.58 118.45 3mr8 h GLU 52 Ca 0.09 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3mr8 h GLU 52 Cb 0.31 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3mr8 h GLU 52 CO 0.00 0.04 -0.08 0.28 -1.00 0.00 0.00 179.01 178.26 3mr8 h VAL 53 N 0.00 0.00 -0.37 3.13 2.07 -0.97 0.54 116.25 120.65 3mr8 h VAL 53 Ca -0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 3mr8 h VAL 53 Cb 0.07 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 3mr8 h VAL 53 CO 0.01 0.00 0.26 0.58 0.02 0.00 0.00 177.57 178.43 3mr8 h VAL 54 N -0.21 0.90 0.33 2.57 2.07 -1.43 0.12 116.25 120.60 3mr8 h VAL 54 Ca -0.02 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3mr8 h VAL 54 Cb 0.16 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3mr8 h VAL 54 CO 0.03 0.03 -0.16 -0.09 0.02 0.00 0.00 177.57 177.41 3mr8 h ARG 55 N 0.17 -0.42 -0.47 1.57 2.43 -0.58 -0.56 114.38 116.52 3mr8 h ARG 55 Ca 0.17 0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.24 3mr8 h ARG 55 Cb 0.45 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3mr8 h ARG 55 CO -0.03 -0.28 -0.19 1.25 -1.51 0.00 0.00 179.97 179.21 3mr8 h LEU 56 N -0.45 0.96 0.56 3.80 7.12 -0.75 -2.47 115.31 124.08 3mr8 h LEU 56 Ca -0.05 -0.35 -0.03 0.00 0.13 0.00 0.00 57.88 57.59 3mr8 h LEU 56 Cb 0.34 -0.26 0.01 0.00 -0.53 0.00 0.00 40.66 40.21 3mr8 h LEU 56 CO 0.07 1.12 -0.27 -0.09 -0.13 0.00 0.00 178.44 179.14 3mr8 h ARG 57 N 0.82 -0.72 -0.57 1.25 2.43 -0.82 -2.90 114.38 113.87 3mr8 h ARG 57 Ca 0.11 0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 3mr8 h ARG 57 Cb 0.75 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 3mr8 h ARG 57 CO 0.06 -0.44 0.20 1.49 -1.51 0.00 0.00 179.97 179.77 3mr8 h GLU 58 N -0.86 0.85 0.00 0.20 4.22 -1.15 -1.77 114.58 116.08 3mr8 h GLU 58 Ca -0.08 -0.15 0.00 0.00 0.08 0.00 0.00 59.36 59.22 3mr8 h GLU 58 Cb 0.62 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3mr8 h GLU 58 CO 0.13 0.72 0.00 0.98 -2.18 0.00 0.00 179.01 178.66 3mr8 n TYR 59 N -4.30 0.00 -0.17 0.92 9.36 -0.93 -1.70 117.16 120.34 3mr8 n TYR 59 Ca 0.05 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.37 3mr8 n TYR 59 Cb 0.19 -0.39 0.42 0.00 -0.63 0.00 0.00 39.34 38.94 3mr8 n TYR 59 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3mr8 h VAL 60 N 0.00 0.91 0.79 2.97 2.07 -1.55 -1.17 116.25 120.28 3mr8 h VAL 60 Ca 0.00 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3mr8 h VAL 60 Cb 0.00 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3mr8 h VAL 60 CO 0.00 0.11 -0.48 -0.08 0.02 0.00 0.00 177.57 177.13 3mr8 h GLU 61 N 0.59 -1.15 0.00 1.57 4.81 -1.17 -3.17 114.58 116.06 3mr8 h GLU 61 Ca 0.34 0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.57 3mr8 h GLU 61 Cb 0.52 0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 3mr8 h GLU 61 CO -0.12 -0.77 -0.36 -0.97 -0.73 0.00 0.00 179.01 176.07 3mr8 h ASN 62 N -1.19 0.00 0.00 1.04 -1.24 -1.16 -3.40 115.58 109.63 3mr8 h ASN 62 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.91 3mr8 h ASN 62 Cb 0.96 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.01 3mr8 h ASN 62 CO 0.11 0.36 0.00 0.41 -1.29 0.00 0.00 177.43 177.02 3mr8 n THR 63 N -3.24 0.00 -3.48 -3.57 -1.04 -0.46 -4.89 114.28 97.60 3mr8 n THR 63 Ca 0.02 0.65 -0.19 0.00 -2.04 0.00 0.00 64.05 62.49 3mr8 n THR 63 Cb 0.63 -1.61 -0.01 0.00 -1.82 0.00 0.00 70.33 67.53 3mr8 n THR 63 CO 0.00 0.00 0.00 -1.66 -0.64 0.00 0.00 175.07 172.77 3mr8 s TRP 64 N -0.29 3.11 0.80 -1.42 -2.14 -1.24 -5.09 118.94 112.67 3mr8 s TRP 64 Ca 0.00 -0.22 -0.13 0.00 2.66 0.00 0.00 56.10 58.41 3mr8 s TRP 64 Cb 0.00 -1.98 0.08 0.00 -3.10 0.00 0.00 33.47 28.47 3mr8 s TRP 64 CO 0.00 0.00 1.21 -1.59 -2.66 0.00 0.00 176.95 173.91 3mr8 s LYS 65 N -4.17 1.66 -0.00 3.25 -2.85 -1.26 -4.84 119.74 111.53 3mr8 s LYS 65 Ca 0.45 1.76 -0.18 0.00 -1.00 0.00 0.00 55.97 57.00 3mr8 s LYS 65 Cb -0.09 -1.78 0.06 0.00 -2.06 0.00 0.00 37.83 33.96 3mr8 s LYS 65 CO 0.31 -2.20 0.83 1.47 0.10 0.00 0.00 175.35 175.86 3mr8 n LEU 66 N -3.26 0.00 0.00 2.77 -0.00 -1.26 -4.88 117.00 110.37 3mr8 n LEU 66 Ca 0.14 -0.34 0.00 0.00 -0.00 0.00 0.00 56.01 55.81 3mr8 n LEU 66 Cb 0.50 1.29 0.00 0.00 -0.00 0.00 0.00 43.42 45.21 3mr8 n LEU 66 CO 0.48 -0.11 0.00 1.21 -0.00 0.00 0.00 177.39 178.97 3mr8 n GLU 67 N -0.60 0.00 0.22 1.47 4.07 -1.03 -1.93 120.64 122.85 3mr8 n GLU 67 Ca 0.03 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.24 3mr8 n GLU 67 Cb 0.38 0.00 0.70 0.00 -0.06 0.00 0.00 31.44 32.47 3mr8 n GLU 67 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 3mr8 h GLY 68 N 0.00 0.00 2.00 8.31 0.00 -1.97 0.17 103.07 111.58 3mr8 h GLY 68 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3mr8 h GLY 68 CO 0.00 0.00 -0.22 1.05 0.00 0.00 0.00 176.54 177.37 3mr8 h GLU 69 N 0.00 0.00 -0.12 4.80 4.11 -1.99 0.49 114.58 121.87 3mr8 h GLU 69 Ca 0.05 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.40 3mr8 h GLU 69 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3mr8 h GLU 69 CO -0.00 0.22 -0.23 1.25 0.07 0.00 0.00 179.01 180.32 3mr8 h LEU 70 N 0.00 0.41 -1.83 3.06 6.46 -0.28 -3.09 115.31 120.06 3mr8 h LEU 70 Ca -0.00 -0.55 -0.03 0.00 -0.12 0.00 0.00 57.88 57.17 3mr8 h LEU 70 Cb 0.43 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.24 3mr8 h LEU 70 CO 0.03 0.89 -0.14 -0.09 -0.62 0.00 0.00 178.44 178.50 3mr8 h ARG 71 N -0.05 0.00 -0.27 1.25 2.43 -0.87 -1.40 114.38 115.48 3mr8 h ARG 71 Ca 0.01 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 3mr8 h ARG 71 Cb 0.82 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 3mr8 h ARG 71 CO 0.05 0.14 -0.30 0.00 -1.51 0.00 0.00 179.97 178.36 3mr8 h ALA 72 N 1.86 0.98 -0.19 2.80 0.00 -0.04 -2.83 119.26 121.84 3mr8 h ALA 72 Ca -0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 3mr8 h ALA 72 Cb 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3mr8 h ALA 72 CO 0.02 0.60 -0.49 1.49 0.00 0.00 0.00 179.25 180.87 3mr8 h GLU 73 N 0.48 0.50 -0.16 0.00 4.81 -1.18 -0.65 114.58 118.37 3mr8 h GLU 73 Ca 0.06 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 59.00 3mr8 h GLU 73 Cb 0.76 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 3mr8 h GLU 73 CO 0.06 0.88 0.09 0.28 -0.73 0.00 0.00 179.01 179.59 3mr8 h VAL 74 N 0.39 1.08 0.00 0.32 2.07 -1.28 -1.53 116.25 117.30 3mr8 h VAL 74 Ca 0.02 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 3mr8 h VAL 74 Cb 1.00 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3mr8 h VAL 74 CO 0.09 0.07 -0.44 0.00 0.02 0.00 0.00 177.57 177.31 3mr8 h ALA 75 N 1.01 1.08 -0.07 1.67 0.00 -1.49 -3.06 119.26 118.39 3mr8 h ALA 75 Ca 0.06 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3mr8 h ALA 75 Cb 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3mr8 h ALA 75 CO -0.01 0.55 0.04 0.00 0.00 0.00 0.00 179.25 179.83 3mr8 h ALA 76 N 1.56 0.09 -0.56 0.00 0.00 -0.42 0.84 119.26 120.77 3mr8 h ALA 76 Ca -0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3mr8 h ALA 76 Cb 0.89 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3mr8 h ALA 76 CO 0.06 -0.40 0.37 -0.91 0.00 0.00 0.00 179.25 178.37 3mr8 h ASN 77 N 0.07 0.62 0.59 0.00 2.35 -1.29 -1.56 115.58 116.36 3mr8 h ASN 77 Ca 0.03 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.67 3mr8 h ASN 77 Cb 0.02 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3mr8 h ASN 77 CO -0.01 0.44 -0.46 0.40 -1.65 0.00 0.00 177.43 176.16 3mr8 h ILE 78 N 0.73 1.20 0.00 2.81 2.04 -1.26 -0.64 117.51 122.38 3mr8 h ILE 78 Ca 0.21 -1.63 -0.06 0.00 1.00 0.00 0.00 64.86 64.38 3mr8 h ILE 78 Cb -0.05 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 3mr8 h ILE 78 CO -0.05 0.45 -0.28 0.11 0.00 0.00 0.00 178.15 178.38 3mr8 h LYS 79 N 0.00 0.00 0.11 2.37 1.57 0.15 -0.80 116.57 119.98 3mr8 h LYS 79 Ca -0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 3mr8 h LYS 79 Cb 0.88 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.22 3mr8 h LYS 79 CO 0.06 0.28 -1.23 -0.09 -0.57 0.00 0.00 179.45 177.91 3mr8 h ARG 80 N 0.00 0.63 0.00 3.15 2.43 -0.84 0.12 114.38 119.87 3mr8 h ARG 80 Ca -0.00 -0.83 0.00 0.00 -0.81 0.00 0.00 59.98 58.34 3mr8 h ARG 80 Cb 0.52 0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3mr8 h ARG 80 CO 0.04 1.38 0.00 1.28 -1.51 0.00 0.00 179.97 181.15 3mr8 n LEU 81 N -3.81 0.24 -0.09 3.80 4.77 -0.37 -3.26 117.00 118.29 3mr8 n LEU 81 Ca -0.14 0.56 -0.17 0.00 -0.03 0.00 0.00 56.01 56.23 3mr8 n LEU 81 Cb 0.98 -0.52 -0.13 0.00 -2.33 0.00 0.00 43.42 41.41 3mr8 n LEU 81 CO 0.58 -0.34 -1.15 0.80 -1.33 0.00 0.00 177.39 175.95 3mr8 n MET 82 N -1.76 0.68 0.31 3.23 0.00 -0.32 -2.79 117.12 116.47 3mr8 n MET 82 Ca 0.03 0.16 0.20 0.00 0.00 0.00 0.00 57.70 58.09 3mr8 n MET 82 Cb 0.20 -1.58 0.97 0.00 0.00 0.00 0.00 33.22 32.81 3mr8 n MET 82 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 175.97 176.35 3mr8 h ASP 83 N 0.02 0.00 0.00 6.12 -0.00 -0.74 -3.29 116.42 118.53 3mr8 h ASP 83 Ca -0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 56.50 3mr8 h ASP 83 Cb 1.99 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 41.32 3mr8 h ASP 83 CO -0.02 0.00 -1.03 0.00 -0.00 0.00 0.00 179.24 178.19 3mr8 n ILE 84 N -3.06 0.03 0.00 4.15 0.13 -1.25 -5.10 119.36 114.25 3mr8 n ILE 84 Ca -0.01 -0.01 0.00 0.00 -1.10 0.00 0.00 62.75 61.63 3mr8 n ILE 84 Cb 0.18 -1.16 0.00 0.00 -0.84 0.00 0.00 39.64 37.81 3mr8 n ILE 84 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3mr8 n GLY 85 N 3.15 0.82 3.84 4.50 0.00 -1.12 -5.11 105.19 111.27 3mr8 n GLY 85 Ca -0.01 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 3mr8 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mr8 h TYR 87 N -0.72 0.00 -0.30 0.00 -1.99 -2.00 0.55 116.97 112.51 3mr8 h TYR 87 Ca -0.45 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.10 3mr8 h TYR 87 Cb 1.23 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.96 3mr8 h TYR 87 CO 0.56 0.00 -0.53 0.00 -0.00 0.00 0.00 178.16 178.19 3mr8 h ARG 88 N 0.00 0.88 -0.14 4.88 3.08 -1.92 -3.29 114.38 117.87 3mr8 h ARG 88 Ca 0.10 -0.55 -0.11 0.00 0.07 0.00 0.00 59.98 59.50 3mr8 h ARG 88 Cb 0.51 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3mr8 h ARG 88 CO -0.00 1.18 -0.34 0.78 -1.07 0.00 0.00 179.97 180.53 3mr8 h GLY 89 N 0.71 0.53 2.00 0.04 0.00 -1.09 -3.14 103.07 102.12 3mr8 h GLY 89 Ca 0.02 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.70 3mr8 h GLY 89 CO 0.12 0.58 -0.00 1.41 0.00 0.00 0.00 176.54 178.64 3mr8 h LEU 90 N 0.10 0.00 -0.81 3.11 3.38 -1.50 0.30 115.31 119.88 3mr8 h LEU 90 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3mr8 h LEU 90 Cb 0.94 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 3mr8 h LEU 90 CO 0.07 0.00 -0.58 0.03 0.09 0.00 0.00 178.44 178.06 3mr8 h ARG 91 N 0.00 0.05 0.00 1.13 2.47 -1.61 -2.52 114.38 113.90 3mr8 h ARG 91 Ca -0.00 -0.03 -0.08 0.00 -1.26 0.00 0.00 59.98 58.61 3mr8 h ARG 91 Cb 0.02 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 3mr8 h ARG 91 CO 0.00 0.61 -0.37 0.45 0.56 0.00 0.00 179.97 181.22 3mr8 h HIS 92 N 0.04 0.00 0.70 3.04 3.86 -0.50 0.62 115.15 122.91 3mr8 h HIS 92 Ca -0.01 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 3mr8 h HIS 92 Cb 1.03 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.51 3mr8 h HIS 92 CO 0.00 0.37 -0.34 0.00 0.86 0.00 0.00 177.93 178.83 3mr8 h ARG 93 N 0.00 -0.91 0.00 2.45 -0.00 -0.81 -3.27 114.38 111.85 3mr8 h ARG 93 Ca -0.00 0.06 0.00 0.00 -0.50 0.00 0.00 59.98 59.54 3mr8 h ARG 93 Cb 1.19 0.21 0.00 0.00 0.00 0.00 0.00 29.97 31.36 3mr8 h ARG 93 CO 0.05 -0.61 0.00 -0.09 0.00 0.00 0.00 179.97 179.32 3mr8 h ARG 94 N -1.11 0.00 0.00 0.04 2.43 -1.60 -3.47 114.38 110.67 3mr8 h ARG 94 Ca -0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3mr8 h ARG 94 Cb 0.72 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 3mr8 h ARG 94 CO 0.16 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.03 3mr8 n GLY 95 N 1.15 0.58 3.71 2.80 0.00 -0.52 -5.03 105.19 107.89 3mr8 n GLY 95 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3mr8 n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mr8 s LEU 96 N 0.00 3.00 0.55 0.99 1.43 0.21 -4.43 118.68 120.42 3mr8 s LEU 96 Ca 0.00 2.09 -0.18 0.00 -1.03 0.00 0.00 54.13 55.01 3mr8 s LEU 96 Cb 0.00 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.61 3mr8 s LEU 96 CO 0.00 -2.59 1.08 -2.16 0.23 0.00 0.00 176.35 172.91 3mr8 s PRO 97 N -4.60 3.43 0.00 1.29 0.04 -1.26 -4.17 135.00 129.74 3mr8 s PRO 97 Ca 0.66 1.41 0.29 0.00 0.04 0.00 0.00 61.00 63.40 3mr8 s PRO 97 Cb -0.22 -2.04 1.27 0.00 0.04 0.00 0.00 34.50 33.55 3mr8 s PRO 97 CO 0.55 -0.74 1.91 0.28 0.04 0.00 0.00 177.00 179.04 3mr8 n VAL 98 N -1.48 0.00 1.14 -0.36 0.31 -1.26 -3.48 118.33 113.20 3mr8 n VAL 98 Ca 0.10 -0.01 0.12 0.00 -0.01 0.00 0.00 64.34 64.54 3mr8 n VAL 98 Cb 0.52 -0.36 0.20 0.00 -0.91 0.00 0.00 33.84 33.29 3mr8 n VAL 98 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3mr8 n ARG 99 N -1.33 1.45 -2.80 5.55 3.00 -1.26 -4.95 116.66 116.32 3mr8 n ARG 99 Ca 0.11 -1.08 -0.22 0.00 -0.01 0.00 0.00 57.85 56.65 3mr8 n ARG 99 Cb 0.29 -1.48 0.02 0.00 0.00 0.00 0.00 32.46 31.29 3mr8 n ARG 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3mr8 n GLY 100 N 1.35 -0.51 0.00 -0.13 0.00 -1.23 -4.97 105.19 99.69 3mr8 n GLY 100 Ca 0.13 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3mr8 n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mr8 n GLN 101 N -3.63 1.13 -2.13 1.61 6.02 -1.26 -4.82 117.38 114.30 3mr8 n GLN 101 Ca -0.16 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.49 3mr8 n GLN 101 Cb 0.64 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.86 3mr8 n GLN 101 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3mr8 s ARG 102 N 0.00 2.73 0.08 -1.09 1.81 -1.26 -4.74 118.95 116.47 3mr8 s ARG 102 Ca 0.00 0.03 0.15 0.00 -1.72 0.00 0.00 55.73 54.18 3mr8 s ARG 102 Cb 0.00 -4.73 -0.13 0.00 -0.45 0.00 0.00 34.95 29.64 3mr8 s ARG 102 CO 0.00 -2.90 0.92 1.79 -0.68 0.00 0.00 175.30 174.42 3mr8 h THR 103 N 6.96 0.71 0.00 0.02 1.35 -1.87 -3.32 112.91 116.75 3mr8 h THR 103 Ca -0.08 -2.28 0.00 0.00 -0.55 0.00 0.00 66.41 63.50 3mr8 h THR 103 Cb 1.08 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.72 3mr8 h THR 103 CO 1.24 0.41 0.00 -0.09 -0.25 0.00 0.00 175.52 176.82 3mr8 h ARG 104 N 0.00 0.00 0.00 4.72 2.43 -2.00 -3.42 114.38 116.11 3mr8 h ARG 104 Ca -0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3mr8 h ARG 104 Cb 1.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.21 3mr8 h ARG 104 CO 0.06 0.00 0.00 0.25 -1.51 0.00 0.00 179.97 178.77 3mr8 n THR 105 N -2.93 0.00 0.00 0.20 -2.24 -1.25 -5.13 114.28 102.93 3mr8 n THR 105 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3mr8 n THR 105 Cb 0.12 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 3mr8 n THR 105 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3mr8 n ASN 106 N 0.00 0.00 -0.49 3.42 6.94 -1.25 -4.84 115.26 119.03 3mr8 n ASN 106 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 54.58 54.51 3mr8 n ASN 106 Cb 0.00 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 3mr8 n ASN 106 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3mr8 n ALA 107 N -3.00 -0.11 0.27 -2.53 0.00 -1.26 -4.70 120.51 109.19 3mr8 n ALA 107 Ca 0.00 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.64 3mr8 n ALA 107 Cb 0.00 -0.92 0.62 0.00 0.00 0.00 0.00 19.45 19.15 3mr8 n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mr8 h ARG 108 N 0.00 0.00 -0.77 0.00 -0.00 -1.88 -3.06 114.38 108.66 3mr8 h ARG 108 Ca -0.12 0.00 0.09 0.00 -0.50 0.00 0.00 59.98 59.46 3mr8 h ARG 108 Cb 0.65 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 30.57 3mr8 h ARG 108 CO 0.16 0.00 0.50 1.15 0.00 0.00 0.00 179.97 181.78 3mr8 h THR 109 N 0.00 0.95 0.00 2.04 2.02 -1.92 -1.44 112.91 114.56 3mr8 h THR 109 Ca 0.00 -0.24 -0.16 0.00 0.77 0.00 0.00 66.41 66.77 3mr8 h THR 109 Cb 0.18 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 3mr8 h THR 109 CO 0.00 0.13 -1.80 0.54 0.37 0.00 0.00 175.52 174.76 3mr8 n ARG 110 N -4.50 1.48 0.00 6.66 1.74 -1.18 -4.45 116.66 116.41 3mr8 n ARG 110 Ca 0.13 -0.04 0.14 0.00 -0.77 0.00 0.00 57.85 57.30 3mr8 n ARG 110 Cb 0.32 -1.32 0.82 0.00 -1.02 0.00 0.00 32.46 31.25 3mr8 n ARG 110 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3mr8 n LYS 111 N -2.32 0.92 0.00 5.56 5.02 -1.12 -4.90 118.16 121.32 3mr8 n LYS 111 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 3mr8 n LYS 111 Cb 0.75 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 3mr8 n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mr8 n GLY 112 N 0.82 -1.22 3.57 0.72 0.00 -0.56 -4.89 105.19 103.63 3mr8 n GLY 112 Ca 0.21 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 3mr8 n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mr8 s PRO 113 N 0.00 -0.22 -0.44 1.61 0.04 -1.26 -4.66 135.00 130.06 3mr8 s PRO 113 Ca 0.00 0.89 -0.29 0.00 0.04 0.00 0.00 61.00 61.64 3mr8 s PRO 113 Cb 0.00 -1.63 0.02 0.00 0.04 0.00 0.00 34.50 32.93 3mr8 s PRO 113 CO 0.00 -3.27 1.27 1.03 0.04 0.00 0.00 177.00 176.07 3mr8 s ARG 114 N -4.61 3.66 -1.24 4.56 0.52 -1.26 -4.95 118.95 115.62 3mr8 s ARG 114 Ca 0.67 0.76 -0.13 0.00 -0.52 0.00 0.00 55.73 56.52 3mr8 s ARG 114 Cb -0.23 -3.96 0.16 0.00 0.52 0.00 0.00 34.95 31.44 3mr8 s ARG 114 CO 0.62 -1.46 1.59 1.63 0.02 0.00 0.00 175.30 177.69 3mr8 n LYS 115 N 7.94 3.41 0.00 3.54 4.01 -1.26 -4.93 118.16 130.86 3mr8 n LYS 115 Ca 0.14 -3.69 0.00 0.00 -0.51 0.00 0.00 58.31 54.25 3mr8 n LYS 115 Cb 0.48 -3.06 0.00 0.00 -0.51 0.00 0.00 35.03 31.95 3mr8 n LYS 115 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 3mr8 n THR 116 N 4.45 0.00 -2.72 -0.18 -1.04 -1.26 -4.90 114.28 108.63 3mr8 n THR 116 Ca 0.39 0.80 -0.01 0.00 -2.04 0.00 0.00 64.05 63.19 3mr8 n THR 116 Cb 0.41 -1.22 -0.01 0.00 -1.82 0.00 0.00 70.33 67.69 3mr8 n THR 116 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3mr8 n VAL 117 N -0.85 -3.94 -1.66 12.58 0.31 -1.26 -5.33 118.33 118.18 3mr8 n VAL 117 Ca 0.00 0.76 0.00 0.00 -0.01 0.00 0.00 64.34 65.09 3mr8 n VAL 117 Cb 0.00 -3.32 0.00 0.00 -0.91 0.00 0.00 33.84 29.61 3mr8 n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51