#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3u h ASP 3 N 0.00 0.85 -0.27 6.41 3.32 -2.04 -0.04 116.42 124.64 3i3u h ASP 3 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3i3u h ASP 3 Cb 0.00 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3i3u h ASP 3 CO 0.00 0.55 -0.26 0.11 -1.72 0.00 0.00 179.24 177.92 3i3u h LYS 4 N 0.97 0.76 0.08 3.56 1.57 -2.05 0.47 116.57 121.93 3i3u h LYS 4 Ca 0.36 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3i3u h LYS 4 Cb 0.19 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3i3u h LYS 4 CO -0.13 0.94 -0.04 0.87 -0.57 0.00 0.00 179.45 180.52 3i3u h LYS 5 N 0.66 -0.10 -0.78 3.15 1.57 -1.78 -1.23 116.57 118.05 3i3u h LYS 5 Ca 0.08 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 3i3u h LYS 5 Cb 0.77 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.06 3i3u h LYS 5 CO 0.06 0.31 0.51 0.82 -0.57 0.00 0.00 179.45 180.59 3i3u h ILE 6 N -0.54 1.11 -0.20 1.86 2.04 -1.05 0.27 117.51 120.99 3i3u h ILE 6 Ca -0.01 -0.32 -0.14 0.00 1.00 0.00 0.00 64.86 65.39 3i3u h ILE 6 Cb 0.46 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3i3u h ILE 6 CO 0.02 0.17 -0.44 -0.08 0.00 0.00 0.00 178.15 177.82 3i3u h GLU 7 N 0.94 0.50 0.03 2.37 4.57 -0.80 -0.07 114.58 122.13 3i3u h GLU 7 Ca 0.32 -0.27 -0.23 0.00 -1.18 0.00 0.00 59.36 58.00 3i3u h GLU 7 Cb 0.07 0.01 0.02 0.00 -0.16 0.00 0.00 28.75 28.70 3i3u h GLU 7 CO -0.09 0.85 -0.90 1.25 -1.18 0.00 0.00 179.01 178.94 3i3u h LEU 8 N 0.41 0.73 -0.66 1.64 5.85 -0.31 -2.72 115.31 120.25 3i3u h LEU 8 Ca 0.03 -0.78 -0.11 0.00 0.84 0.00 0.00 57.88 57.86 3i3u h LEU 8 Cb 0.94 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 3i3u h LEU 8 CO 0.08 1.42 -0.16 -0.07 -0.34 0.00 0.00 178.44 179.38 3i3u h LEU 9 N 0.13 0.89 0.19 2.25 3.38 -0.48 0.71 115.31 122.37 3i3u h LEU 9 Ca -0.12 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 3i3u h LEU 9 Cb 1.59 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.10 3i3u h LEU 9 CO 0.18 1.04 -0.09 0.74 0.09 0.00 0.00 178.44 180.40 3i3u h THR 10 N 0.78 0.88 -0.33 0.22 2.02 -1.08 -1.24 112.91 114.16 3i3u h THR 10 Ca 0.12 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 66.91 3i3u h THR 10 Cb 0.69 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 3i3u h THR 10 CO 0.05 0.07 -0.22 0.74 0.37 0.00 0.00 175.52 176.52 3i3u h THR 11 N -0.39 1.27 -0.08 3.16 2.02 -1.41 -2.18 112.91 115.29 3i3u h THR 11 Ca -0.03 -1.28 -0.00 0.00 0.77 0.00 0.00 66.41 65.87 3i3u h THR 11 Cb 0.30 1.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3i3u h THR 11 CO 0.04 0.42 0.05 0.22 0.37 0.00 0.00 175.52 176.62 3i3u h TYR 12 N 0.55 0.11 0.00 3.16 3.20 -0.75 -2.69 116.97 120.55 3i3u h TYR 12 Ca 0.08 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3i3u h TYR 12 Cb 0.68 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 3i3u h TYR 12 CO 0.03 0.13 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.58 3i3u h LEU 13 N 0.07 0.00 0.00 2.82 3.38 -1.16 -2.49 115.31 117.92 3i3u h LEU 13 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3i3u h LEU 13 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3i3u h LEU 13 CO -0.01 0.03 0.00 -1.54 0.09 0.00 0.00 178.44 177.02 3i3u n SER 14 N -3.15 0.00 0.15 -0.43 3.41 -0.83 -2.20 113.62 110.57 3i3u n SER 14 Ca 0.00 0.29 0.12 0.00 -0.26 0.00 0.00 58.87 59.02 3i3u n SER 14 Cb 0.29 -0.41 0.17 0.00 -0.26 0.00 0.00 64.21 64.01 3i3u n SER 14 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3i3u h LEU 15 N 0.00 0.00 -9.76 1.04 3.38 -1.49 -3.47 115.31 105.01 3i3u h LEU 15 Ca 0.00 -0.03 -0.54 0.00 0.09 0.00 0.00 57.88 57.40 3i3u h LEU 15 Cb 0.26 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 3i3u h LEU 15 CO 0.00 0.01 -0.57 -0.31 0.09 0.00 0.00 178.44 177.66 3i3u s TYR 16 N -3.22 2.99 -0.01 1.13 1.51 -0.93 -0.68 117.35 118.13 3i3u s TYR 16 Ca 0.06 -0.13 0.05 0.00 -1.01 0.00 0.00 57.07 56.04 3i3u s TYR 16 Cb 0.09 -1.37 -0.01 0.00 -0.11 0.00 0.00 41.96 40.56 3i3u s TYR 16 CO 0.69 0.54 -0.15 -1.50 -1.11 0.00 0.00 175.55 174.02 3i3u s ILE 17 N -2.08 1.23 0.13 2.71 2.07 -0.72 -4.82 121.20 119.72 3i3u s ILE 17 Ca 0.32 -0.66 -0.34 0.00 -1.41 0.00 0.00 60.65 58.55 3i3u s ILE 17 Cb -0.08 -1.03 -0.14 0.00 0.13 0.00 0.00 42.46 41.34 3i3u s ILE 17 CO 0.23 0.35 1.55 -0.67 -1.91 0.00 0.00 174.94 174.49 3i3u n ASP 18 N 2.76 2.84 0.26 4.50 -0.08 -1.26 -2.25 116.55 123.31 3i3u n ASP 18 Ca -0.15 1.08 0.12 0.00 -1.51 0.00 0.00 54.79 54.34 3i3u n ASP 18 Cb 0.54 -1.38 0.68 0.00 2.34 0.00 0.00 41.12 43.31 3i3u n ASP 18 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 3i3u h HIS 19 N 5.89 0.00 0.00 -0.67 2.07 -1.95 -1.16 115.15 119.33 3i3u h HIS 19 Ca -0.46 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 56.93 3i3u h HIS 19 Cb 1.27 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.23 3i3u h HIS 19 CO 0.64 0.14 -0.63 1.25 -3.07 0.00 0.00 177.93 176.26 3i3u h HIS 20 N 0.00 0.00 -0.03 6.12 -0.00 -1.95 -3.21 115.15 116.08 3i3u h HIS 20 Ca -0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 60.37 60.18 3i3u h HIS 20 Cb 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.82 3i3u h HIS 20 CO 0.00 0.63 -0.81 1.15 -0.00 0.00 0.00 177.93 178.90 3i3u h THR 21 N 0.00 1.44 0.52 6.26 2.02 -1.58 -2.50 112.91 119.07 3i3u h THR 21 Ca -0.01 -2.38 -0.03 0.00 0.77 0.00 0.00 66.41 64.77 3i3u h THR 21 Cb 1.40 2.30 0.01 0.00 -1.74 0.00 0.00 68.15 70.12 3i3u h THR 21 CO 0.08 0.70 -0.25 0.58 0.37 0.00 0.00 175.52 177.00 3i3u h VAL 22 N 0.17 0.17 -0.78 3.16 2.07 -1.55 -2.57 116.25 116.93 3i3u h VAL 22 Ca -0.04 -0.48 0.12 0.00 0.82 0.00 0.00 66.70 67.11 3i3u h VAL 22 Cb 1.41 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 3i3u h VAL 22 CO 0.13 0.03 0.51 -0.07 0.02 0.00 0.00 177.57 178.19 3i3u h LEU 23 N -1.11 0.56 0.34 2.57 4.07 -1.66 -2.08 115.31 117.99 3i3u h LEU 23 Ca -0.07 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 3i3u h LEU 23 Cb 0.59 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.21 3i3u h LEU 23 CO 0.12 0.32 -0.47 0.00 -1.08 0.00 0.00 178.44 177.33 3i3u h ALA 24 N 1.62 -1.07 -3.00 1.53 0.00 -1.39 -3.52 119.26 113.43 3i3u h ALA 24 Ca 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3i3u h ALA 24 Cb 0.59 0.75 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3i3u h ALA 24 CO -0.14 -1.12 0.00 -3.47 0.00 0.00 0.00 179.25 174.52 3i3u n ASP 25 N -5.21 0.00 0.00 0.00 2.03 -0.79 -5.11 116.55 107.47 3i3u n ASP 25 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 3i3u n ASP 25 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 3i3u n ASP 25 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3i3u n TYR 33 N 0.00 0.00 -3.90 -0.67 4.01 -1.26 -5.13 117.16 110.22 3i3u n TYR 33 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 3i3u n TYR 33 Cb 0.00 -1.19 -0.14 0.00 -0.31 0.00 0.00 39.34 37.69 3i3u n TYR 33 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3i3u s VAL 34 N -1.41 1.90 0.79 -0.72 1.01 -0.74 -4.96 120.40 116.27 3i3u s VAL 34 Ca 0.00 -2.38 -0.14 0.00 0.00 0.00 0.00 61.98 59.46 3i3u s VAL 34 Cb 0.00 -2.38 0.03 0.00 0.00 0.00 0.00 36.38 34.03 3i3u s VAL 34 CO 0.00 -0.70 0.91 0.52 0.00 0.00 0.00 175.10 175.82 3i3u n VAL 35 N 4.03 1.92 -3.56 2.92 0.31 -1.26 -3.14 118.33 119.55 3i3u n VAL 35 Ca 0.04 -0.28 -0.29 0.00 -0.01 0.00 0.00 64.34 63.80 3i3u n VAL 35 Cb 0.39 -1.01 -0.15 0.00 -0.91 0.00 0.00 33.84 32.16 3i3u n VAL 35 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3i3u s LEU 36 N -3.34 0.61 -0.89 7.52 1.43 0.12 -3.77 118.68 120.37 3i3u s LEU 36 Ca 0.70 -1.22 -0.25 0.00 -1.03 0.00 0.00 54.13 52.33 3i3u s LEU 36 Cb -0.31 -0.37 -0.02 0.00 0.03 0.00 0.00 46.19 45.53 3i3u s LEU 36 CO 0.54 -0.43 1.79 -0.62 0.23 0.00 0.00 176.35 177.87 3i3u s ASP 37 N 2.08 5.52 -0.03 2.29 -1.08 -0.65 -4.51 116.67 120.29 3i3u s ASP 37 Ca 0.08 -0.73 0.04 0.00 -0.52 0.00 0.00 52.55 51.42 3i3u s ASP 37 Cb -0.16 -2.56 0.16 0.00 -1.46 0.00 0.00 42.92 38.91 3i3u s ASP 37 CO -0.33 -2.37 0.89 1.33 0.52 0.00 0.00 175.17 175.21 3i3u n VAL 38 N 7.50 0.46 -2.44 1.11 0.24 -1.26 -3.89 118.33 120.05 3i3u n VAL 38 Ca 0.34 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.34 61.96 3i3u n VAL 38 Cb 0.49 -0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.56 3i3u n VAL 38 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3i3u s ARG 39 N -1.52 4.47 0.20 7.34 0.52 -1.26 -2.70 118.95 126.00 3i3u s ARG 39 Ca 0.11 1.76 0.14 0.00 -0.52 0.00 0.00 55.73 57.22 3i3u s ARG 39 Cb 0.08 -3.33 -0.03 0.00 0.52 0.00 0.00 34.95 32.19 3i3u s ARG 39 CO 0.05 -0.17 1.28 -0.91 0.02 0.00 0.00 175.30 175.57 3i3u h ASN 40 N 6.32 0.00 0.61 0.23 2.35 -1.96 -3.41 115.58 119.73 3i3u h ASN 40 Ca -0.42 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.30 3i3u h ASN 40 Cb 1.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.58 3i3u h ASN 40 CO 0.79 0.62 -0.37 0.00 -1.65 0.00 0.00 177.43 176.81 3i3u h ALA 41 N 1.38 -1.19 -3.32 -0.83 0.00 -2.00 -3.51 119.26 109.80 3i3u h ALA 41 Ca -0.04 -0.19 -0.67 0.00 0.00 0.00 0.00 54.91 54.00 3i3u h ALA 41 Cb 1.51 0.48 -0.16 0.00 0.00 0.00 0.00 17.79 19.62 3i3u h ALA 41 CO 0.07 -1.15 -0.62 0.21 0.00 0.00 0.00 179.25 177.76 3i3u s LYS 51 N -5.19 3.13 -1.21 0.00 2.47 -1.26 -5.23 119.74 112.45 3i3u s LYS 51 Ca -0.14 -0.42 -0.18 0.00 -1.56 0.00 0.00 55.97 53.66 3i3u s LYS 51 Cb 0.02 -2.83 0.00 0.00 -1.46 0.00 0.00 37.83 33.56 3i3u s LYS 51 CO 0.45 0.62 0.69 0.41 0.16 0.00 0.00 175.35 177.68 3i3u n GLY 52 N 2.40 -0.80 0.00 5.54 0.00 -1.26 -4.98 105.19 106.10 3i3u n GLY 52 Ca -0.18 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3i3u n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3u n ALA 53 N -4.36 0.00 -3.69 4.61 0.00 -1.26 -4.93 120.51 110.87 3i3u n ALA 53 Ca -0.14 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.12 3i3u n ALA 53 Cb 0.61 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.89 3i3u n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i3u s ILE 54 N 1.51 -0.12 0.81 0.00 1.01 -1.25 -5.02 121.20 118.15 3i3u s ILE 54 Ca 0.00 0.36 -0.10 0.00 0.00 0.00 0.00 60.65 60.91 3i3u s ILE 54 Cb 0.00 -0.17 0.08 0.00 0.01 0.00 0.00 42.46 42.39 3i3u s ILE 54 CO 0.00 0.15 1.11 0.00 0.00 0.00 0.00 174.94 176.20 3i3u s ALA 55 N 1.91 2.02 -0.03 9.38 0.00 -1.26 -1.63 121.76 132.14 3i3u s ALA 55 Ca 0.01 0.37 -0.28 0.00 0.00 0.00 0.00 51.96 52.06 3i3u s ALA 55 Cb -0.12 -3.33 0.06 0.00 0.00 0.00 0.00 23.12 19.73 3i3u s ALA 55 CO -0.04 -2.06 0.61 -2.14 0.00 0.00 0.00 175.76 172.14 3i3u s PRO 57 N -4.82 1.01 0.02 0.00 0.02 -1.25 -4.93 135.00 125.04 3i3u s PRO 57 Ca 0.63 0.15 -0.26 0.00 0.02 0.00 0.00 61.00 61.54 3i3u s PRO 57 Cb -0.19 0.47 -0.16 0.00 0.02 0.00 0.00 34.50 34.64 3i3u s PRO 57 CO 0.56 -0.32 1.27 0.00 -0.33 0.00 0.00 177.00 178.19 3i3u h ALA 58 N 3.09 -0.54 0.00 -1.55 0.00 -1.82 0.13 119.26 118.56 3i3u h ALA 58 Ca -0.28 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3i3u h ALA 58 Cb 1.15 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3i3u h ALA 58 CO 0.39 -0.66 0.28 1.57 0.00 0.00 0.00 179.25 180.83 3i3u h LYS 59 N -0.83 0.00 -0.00 0.00 2.10 -1.98 0.34 116.57 116.21 3i3u h LYS 59 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 3i3u h LYS 59 Cb 0.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 3i3u h LYS 59 CO 0.09 0.00 -0.01 -0.25 -2.00 0.00 0.00 179.45 177.28 3i3u n ASP 60 N -2.23 0.81 -0.18 7.07 8.00 -1.10 -4.75 116.55 124.19 3i3u n ASP 60 Ca -0.01 -0.91 -0.05 0.00 0.71 0.00 0.00 54.79 54.53 3i3u n ASP 60 Cb 0.31 0.25 0.04 0.00 -0.02 0.00 0.00 41.12 41.70 3i3u n ASP 60 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3i3u h LEU 61 N 0.13 0.48 0.02 0.64 5.85 0.15 -1.54 115.31 121.05 3i3u h LEU 61 Ca 0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3i3u h LEU 61 Cb 0.03 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3i3u h LEU 61 CO 0.00 0.34 -0.08 0.00 -0.34 0.00 0.00 178.44 178.36 3i3u h ALA 62 N 1.25 -0.11 -0.46 1.25 0.00 -1.86 0.01 119.26 119.35 3i3u h ALA 62 Ca 0.22 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3i3u h ALA 62 Cb 0.05 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3i3u h ALA 62 CO -0.11 -0.58 0.19 1.15 0.00 0.00 0.00 179.25 179.89 3i3u h THR 63 N -0.15 1.17 -0.51 0.00 2.02 -1.85 -1.93 112.91 111.66 3i3u h THR 63 Ca 0.02 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3i3u h THR 63 Cb 0.18 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3i3u h THR 63 CO -0.07 0.21 0.00 0.54 0.37 0.00 0.00 175.52 176.57 3i3u n ARG 64 N -4.37 2.70 -0.07 6.66 1.74 -0.59 -4.41 116.66 118.33 3i3u n ARG 64 Ca 0.03 -2.06 0.15 0.00 -0.77 0.00 0.00 57.85 55.21 3i3u n ARG 64 Cb 0.15 -1.60 0.56 0.00 -1.02 0.00 0.00 32.46 30.55 3i3u n ARG 64 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3i3u h ILE 65 N 3.12 0.83 -0.01 0.55 2.10 -0.16 -2.69 117.51 121.25 3i3u h ILE 65 Ca 0.00 -0.10 0.03 0.00 1.08 0.00 0.00 64.86 65.88 3i3u h ILE 65 Cb 0.96 0.53 -0.05 0.00 -1.09 0.00 0.00 36.82 37.17 3i3u h ILE 65 CO 0.10 0.05 -0.37 1.23 -1.08 0.00 0.00 178.15 178.08 3i3u h GLY 66 N 0.28 -0.65 -1.30 8.18 0.00 -1.81 -1.69 103.07 106.07 3i3u h GLY 66 Ca 0.28 0.45 0.47 0.00 0.00 0.00 0.00 47.33 48.53 3i3u h GLY 66 CO -0.06 -0.24 1.09 0.83 0.00 0.00 0.00 176.54 178.16 3i3u h GLU 67 N -0.52 0.04 -6.67 4.80 5.08 -1.83 -3.42 114.58 112.06 3i3u h GLU 67 Ca 0.06 -0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.87 3i3u h GLU 67 Cb 0.61 -0.01 0.07 0.00 0.50 0.00 0.00 28.75 29.92 3i3u h GLU 67 CO -0.30 0.03 0.86 1.28 -1.00 0.00 0.00 179.01 179.88 3i3u n LEU 68 N -4.27 3.84 -4.54 1.33 4.77 -0.64 -4.97 117.00 112.53 3i3u n LEU 68 Ca 0.38 1.11 -0.43 0.00 -0.03 0.00 0.00 56.01 57.04 3i3u n LEU 68 Cb 1.63 -1.53 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 3i3u n LEU 68 CO 0.35 -0.02 0.39 -0.62 -1.33 0.00 0.00 177.39 176.16 3i3u s ASP 69 N 0.73 6.36 0.00 -1.43 -1.08 -1.26 -4.92 116.67 115.07 3i3u s ASP 69 Ca 0.70 -0.15 0.00 0.00 -0.52 0.00 0.00 52.55 52.58 3i3u s ASP 69 Cb -0.55 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 38.58 3i3u s ASP 69 CO 0.42 -0.72 0.06 -2.65 0.52 0.00 0.00 175.17 172.80 3i3u n PRO 70 N 6.21 0.10 0.00 4.34 -0.02 -1.26 -1.41 135.00 142.96 3i3u n PRO 70 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3i3u n PRO 70 Cb 0.48 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 3i3u n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i3u n ALA 71 N 0.18 1.51 -2.84 3.55 0.00 -1.26 -4.99 120.51 116.67 3i3u n ALA 71 Ca 0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.18 3i3u n ALA 71 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.45 3i3u n ALA 71 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i3u s LYS 72 N -0.64 3.39 -0.29 0.00 1.02 -0.50 -5.08 119.74 117.63 3i3u s LYS 72 Ca 0.00 -0.72 -0.08 0.00 0.02 0.00 0.00 55.97 55.19 3i3u s LYS 72 Cb 0.00 -2.84 -0.00 0.00 -0.52 0.00 0.00 37.83 34.47 3i3u s LYS 72 CO 0.00 0.32 0.11 0.99 -0.92 0.00 0.00 175.35 175.85 3i3u s THR 73 N -2.07 4.30 0.17 2.17 2.01 -1.26 -4.64 115.64 116.31 3i3u s THR 73 Ca 0.37 -0.49 -0.17 0.00 0.31 0.00 0.00 61.69 61.71 3i3u s THR 73 Cb -0.09 -3.17 -0.07 0.00 0.01 0.00 0.00 72.50 69.17 3i3u s THR 73 CO 0.31 0.11 0.61 -0.31 -0.69 0.00 0.00 174.62 174.65 3i3u s TYR 74 N 1.57 3.64 -0.13 4.92 2.02 -1.09 -1.79 117.35 126.48 3i3u s TYR 74 Ca 0.04 1.19 -0.00 0.00 -0.37 0.00 0.00 57.07 57.93 3i3u s TYR 74 Cb -0.17 -2.47 0.03 0.00 -0.40 0.00 0.00 41.96 38.95 3i3u s TYR 74 CO 0.04 0.41 -0.09 0.08 -1.57 0.00 0.00 175.55 174.42 3i3u s VAL 75 N -1.46 1.18 0.00 0.71 1.01 -1.19 -1.08 120.40 119.57 3i3u s VAL 75 Ca 0.39 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3i3u s VAL 75 Cb -0.16 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.03 3i3u s VAL 75 CO 0.20 0.36 0.00 1.33 0.00 0.00 0.00 175.10 176.98 3i3u n VAL 76 N 4.89 0.00 -3.41 2.92 0.24 -0.00 0.12 118.33 123.09 3i3u n VAL 76 Ca -0.13 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.17 3i3u n VAL 76 Cb 0.50 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.86 3i3u n VAL 76 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3i3u n THR 83 N 0.00 0.00 0.10 3.34 -2.24 -1.26 -0.68 114.28 113.55 3i3u n THR 83 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 3i3u n THR 83 Cb 0.00 -0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.18 3i3u n THR 83 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3i3u h THR 84 N -0.05 1.07 -0.46 4.28 1.35 -2.05 -3.33 112.91 113.71 3i3u h THR 84 Ca 0.00 -2.55 -0.04 0.00 -0.55 0.00 0.00 66.41 63.27 3i3u h THR 84 Cb 0.05 2.51 -0.02 0.00 -1.73 0.00 0.00 68.15 68.96 3i3u h THR 84 CO 0.00 0.61 0.13 -0.07 -0.25 0.00 0.00 175.52 175.94 3i3u h LEU 85 N 0.00 0.69 -0.86 3.87 3.38 -1.99 -0.07 115.31 120.33 3i3u h LEU 85 Ca -0.03 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.75 3i3u h LEU 85 Cb 1.53 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 42.04 3i3u h LEU 85 CO 0.08 0.73 0.56 1.23 0.09 0.00 0.00 178.44 181.13 3i3u h GLY 86 N 0.62 1.25 0.80 0.83 0.00 -1.92 -0.64 103.07 104.00 3i3u h GLY 86 Ca 0.15 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 3i3u h GLY 86 CO -0.00 0.37 -0.18 0.50 0.00 0.00 0.00 176.54 177.22 3i3u h LYS 87 N 1.09 -0.50 -0.41 4.80 1.79 -1.61 -2.34 116.57 119.39 3i3u h LYS 87 Ca 0.34 0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.93 3i3u h LYS 87 Cb -0.01 0.11 -0.09 0.00 -1.58 0.00 0.00 32.23 30.66 3i3u h LYS 87 CO -0.11 -0.22 -0.26 1.15 -1.08 0.00 0.00 179.45 178.93 3i3u h THR 88 N -0.73 0.32 -0.73 -0.16 2.02 -0.64 0.88 112.91 113.87 3i3u h THR 88 Ca -0.05 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.20 3i3u h THR 88 Cb 0.51 0.32 -0.06 0.00 -1.74 0.00 0.00 68.15 67.17 3i3u h THR 88 CO 0.09 0.00 0.40 0.00 0.37 0.00 0.00 175.52 176.38 3i3u h ALA 89 N 0.99 1.01 0.15 6.16 0.00 -1.12 0.12 119.26 126.58 3i3u h ALA 89 Ca 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3i3u h ALA 89 Cb 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3i3u h ALA 89 CO -0.52 0.06 -0.07 1.25 0.00 0.00 0.00 179.25 179.97 3i3u h LEU 90 N 0.71 -0.17 -0.45 0.00 5.85 -0.71 0.25 115.31 120.78 3i3u h LEU 90 Ca 0.34 -0.09 0.09 0.00 0.84 0.00 0.00 57.88 59.06 3i3u h LEU 90 Cb 0.27 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.26 3i3u h LEU 90 CO -0.22 -0.02 -0.10 0.25 -0.34 0.00 0.00 178.44 178.01 3i3u h LEU 91 N -0.32 -0.40 -0.01 2.25 5.85 -0.17 0.17 115.31 122.69 3i3u h LEU 91 Ca -0.02 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.87 3i3u h LEU 91 Cb 0.25 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 3i3u h LEU 91 CO 0.03 -0.14 -0.35 0.58 -0.34 0.00 0.00 178.44 178.23 3i3u h VAL 92 N 0.01 0.26 -0.09 1.05 2.07 -0.36 0.15 116.25 119.34 3i3u h VAL 92 Ca 0.22 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.78 3i3u h VAL 92 Cb 0.33 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 3i3u h VAL 92 CO -0.46 0.00 -0.21 -0.07 0.02 0.00 0.00 177.57 176.85 3i3u h LEU 93 N -0.50 -0.65 -1.30 2.57 3.38 0.50 -1.60 115.31 117.72 3i3u h LEU 93 Ca 0.06 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3i3u h LEU 93 Cb 0.59 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3i3u h LEU 93 CO -0.29 -0.27 0.00 -0.07 0.09 0.00 0.00 178.44 177.91 3i3u h LEU 94 N -0.29 0.44 -0.47 1.67 3.38 -0.47 -1.62 115.31 117.96 3i3u h LEU 94 Ca 0.09 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3i3u h LEU 94 Cb 0.42 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3i3u h LEU 94 CO -0.26 0.51 -0.21 0.28 0.09 0.00 0.00 178.44 178.84 3i3u h SER 95 N 0.46 0.99 0.08 -0.43 0.02 -0.31 -2.34 113.55 112.02 3i3u h SER 95 Ca 0.10 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 3i3u h SER 95 Cb 0.30 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 3i3u h SER 95 CO 0.01 1.17 -0.04 0.00 -1.14 0.00 0.00 176.83 176.83 3i3u h ALA 96 N 0.86 1.59 0.00 3.77 0.00 -0.98 -3.45 119.26 121.04 3i3u h ALA 96 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3i3u h ALA 96 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3i3u h ALA 96 CO 0.07 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.77 3i3u n GLY 97 N -1.22 1.11 3.77 0.00 0.00 -0.88 -5.11 105.19 102.85 3i3u n GLY 97 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3i3u n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i3u s PHE 98 N -2.00 2.61 -0.50 1.61 0.08 -0.64 -4.97 117.98 114.17 3i3u s PHE 98 Ca 0.00 1.55 -0.16 0.00 0.12 0.00 0.00 56.93 58.44 3i3u s PHE 98 Cb 0.00 -3.07 0.09 0.00 -0.57 0.00 0.00 43.02 39.48 3i3u s PHE 98 CO 0.00 -1.75 0.45 -2.00 -0.10 0.00 0.00 175.22 171.82 3i3u s GLU 99 N -4.73 2.99 0.36 0.44 2.12 -1.26 -4.10 118.70 114.51 3i3u s GLU 99 Ca 0.62 -1.46 0.07 0.00 0.36 0.00 0.00 54.97 54.56 3i3u s GLU 99 Cb -0.18 -4.19 -0.07 0.00 0.26 0.00 0.00 34.13 29.95 3i3u s GLU 99 CO 0.53 -1.16 -0.01 0.00 -0.54 0.00 0.00 175.26 174.08 3i3u s ALA 100 N 1.70 2.82 0.10 6.30 0.00 -1.26 -2.67 121.76 128.74 3i3u s ALA 100 Ca 0.04 -2.15 -0.20 0.00 0.00 0.00 0.00 51.96 49.66 3i3u s ALA 100 Cb -0.26 0.24 0.05 0.00 0.00 0.00 0.00 23.12 23.15 3i3u s ALA 100 CO 0.06 -0.11 0.49 0.71 0.00 0.00 0.00 175.76 176.91 3i3u s TYR 101 N -2.87 -0.37 -0.11 0.00 2.02 -0.24 -4.97 117.35 110.82 3i3u s TYR 101 Ca 0.34 0.23 -0.05 0.00 -0.37 0.00 0.00 57.07 57.23 3i3u s TYR 101 Cb 0.07 0.36 -0.04 0.00 -0.40 0.00 0.00 41.96 41.95 3i3u s TYR 101 CO 0.16 -0.71 0.07 -2.00 -1.57 0.00 0.00 175.55 171.51 3i3u s GLU 102 N -3.19 3.29 -0.05 -0.62 2.12 0.14 -0.82 118.70 119.57 3i3u s GLU 102 Ca -0.01 -0.27 -0.29 0.00 0.36 0.00 0.00 54.97 54.75 3i3u s GLU 102 Cb 0.00 -3.02 -0.07 0.00 0.26 0.00 0.00 34.13 31.30 3i3u s GLU 102 CO -0.08 0.69 1.96 -1.17 -0.54 0.00 0.00 175.26 176.13 3i3u s LEU 103 N -0.82 4.15 0.00 2.70 2.96 0.15 -1.75 118.68 126.06 3i3u s LEU 103 Ca 0.13 2.36 0.32 0.00 -0.22 0.00 0.00 54.13 56.72 3i3u s LEU 103 Cb -0.12 -3.53 1.83 0.00 0.50 0.00 0.00 46.19 44.88 3i3u s LEU 103 CO 0.03 -1.27 2.19 0.00 -1.32 0.00 0.00 176.35 175.98