#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 0.18 -0.51 6.41 5.19 -2.05 -2.79 116.42 122.84 3i3u h ASP 3 Ca 0.00 -0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.47 3i3u h ASP 3 Cb 0.00 -0.04 -0.06 0.00 0.18 0.00 0.00 39.33 39.41 3i3u h ASP 3 CO 0.00 0.13 0.20 0.11 -3.12 0.00 0.00 179.24 176.56 3i3u h LYS 4 N 0.22 0.38 0.34 3.56 1.57 -2.05 0.44 116.57 121.03 3i3u h LYS 4 Ca 0.06 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3i3u h LYS 4 Cb -0.02 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3i3u h LYS 4 CO -0.02 0.25 -0.17 0.87 -0.57 0.00 0.00 179.45 179.81 3i3u h LYS 5 N 0.39 -0.45 -0.56 3.15 1.57 -1.98 0.56 116.57 119.24 3i3u h LYS 5 Ca 0.24 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.15 3i3u h LYS 5 Cb 0.24 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.58 3i3u h LYS 5 CO -0.23 -0.30 0.16 0.82 -0.57 0.00 0.00 179.45 179.32 3i3u h ILE 6 N -0.47 0.72 -0.19 1.86 2.04 -1.21 0.33 117.51 120.59 3i3u h ILE 6 Ca -0.05 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 3i3u h ILE 6 Cb 0.36 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3i3u h ILE 6 CO 0.07 0.06 0.11 -0.08 0.00 0.00 0.00 178.15 178.31 3i3u h GLU 7 N 0.31 0.26 -0.03 2.37 4.57 -0.69 0.14 114.58 121.51 3i3u h GLU 7 Ca 0.29 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 3i3u h GLU 7 Cb 0.39 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.92 3i3u h GLU 7 CO -0.34 0.23 0.02 1.25 -1.18 0.00 0.00 179.01 179.00 3i3u h LEU 8 N 0.21 0.03 -1.09 1.64 5.85 -0.35 -2.09 115.31 119.52 3i3u h LEU 8 Ca 0.07 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 3i3u h LEU 8 Cb 0.05 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3i3u h LEU 8 CO -0.01 0.03 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.95 3i3u h LEU 9 N 0.03 0.50 -0.38 2.25 3.38 -0.82 0.67 115.31 120.94 3i3u h LEU 9 Ca 0.01 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3i3u h LEU 9 Cb 0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3i3u h LEU 9 CO -0.00 0.65 -0.05 0.74 0.09 0.00 0.00 178.44 179.86 3i3u h THR 10 N 0.49 1.27 -0.02 0.22 2.02 -0.56 -0.60 112.91 115.73 3i3u h THR 10 Ca 0.09 -1.10 -0.18 0.00 0.77 0.00 0.00 66.41 66.00 3i3u h THR 10 Cb 0.48 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 3i3u h THR 10 CO 0.03 0.37 -0.77 0.74 0.37 0.00 0.00 175.52 176.25 3i3u h THR 11 N 0.51 1.46 -0.19 3.16 2.02 -1.18 -1.94 112.91 116.75 3i3u h THR 11 Ca 0.10 -2.38 -0.05 0.00 0.77 0.00 0.00 66.41 64.85 3i3u h THR 11 Cb 0.55 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 3i3u h THR 11 CO 0.03 0.70 -0.07 0.22 0.37 0.00 0.00 175.52 176.77 3i3u h TYR 12 N 0.12 0.43 -0.06 3.16 3.20 -0.78 -3.07 116.97 119.98 3i3u h TYR 12 Ca -0.03 -0.10 -0.08 0.00 3.14 0.00 0.00 58.73 61.66 3i3u h TYR 12 Cb 1.35 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 3i3u h TYR 12 CO 0.02 0.66 -0.33 -0.07 -1.64 0.00 0.00 178.16 176.80 3i3u h LEU 13 N 0.08 0.11 0.00 2.82 3.38 -1.13 -2.61 115.31 117.96 3i3u h LEU 13 Ca 0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i3u h LEU 13 Cb 0.53 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3i3u h LEU 13 CO 0.02 0.43 0.00 -1.54 0.09 0.00 0.00 178.44 177.45 3i3u n SER 14 N -4.12 0.00 0.03 -0.43 3.41 -0.73 -1.75 113.62 110.03 3i3u n SER 14 Ca -0.02 -0.48 0.12 0.00 -0.26 0.00 0.00 58.87 58.24 3i3u n SER 14 Cb 0.39 -0.04 0.29 0.00 -0.26 0.00 0.00 64.21 64.59 3i3u n SER 14 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i3u n LEU 15 N -1.04 0.53 -4.73 1.04 4.77 -0.98 -4.93 117.00 111.66 3i3u n LEU 15 Ca 0.13 0.21 -0.23 0.00 -0.03 0.00 0.00 56.01 56.09 3i3u n LEU 15 Cb 0.07 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 3i3u n LEU 15 CO 0.11 0.01 -0.20 -0.31 -1.33 0.00 0.00 177.39 175.66 3i3u s TYR 16 N -3.08 2.71 0.30 -1.77 1.51 -0.72 0.13 117.35 116.43 3i3u s TYR 16 Ca 0.09 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.81 3i3u s TYR 16 Cb 0.16 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.35 3i3u s TYR 16 CO 0.68 0.35 0.17 -1.50 -1.11 0.00 0.00 175.55 174.14 3i3u s ILE 17 N -2.42 0.25 0.00 2.71 2.07 -0.41 -4.76 121.20 118.64 3i3u s ILE 17 Ca 0.37 -2.00 0.00 0.00 -1.41 0.00 0.00 60.65 57.61 3i3u s ILE 17 Cb -0.03 -2.50 0.00 0.00 0.13 0.00 0.00 42.46 40.06 3i3u s ILE 17 CO 0.22 0.00 0.00 0.41 -1.91 0.00 0.00 174.94 173.66 3i3u n THR 21 N -0.57 0.00 0.13 4.00 -1.04 -1.26 -0.10 114.28 115.45 3i3u n THR 21 Ca 0.02 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.12 3i3u n THR 21 Cb 0.65 0.00 0.59 0.00 -1.82 0.00 0.00 70.33 69.75 3i3u n THR 21 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3i3u h VAL 22 N 0.00 0.97 0.00 12.58 2.07 -2.02 0.22 116.25 130.06 3i3u h VAL 22 Ca 0.00 -0.05 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 3i3u h VAL 22 Cb 0.00 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3i3u h VAL 22 CO 0.00 0.03 -0.45 0.17 0.02 0.00 0.00 177.57 177.34 3i3u h LEU 23 N 0.15 0.00 0.17 2.57 -0.00 -2.04 -3.09 115.31 113.08 3i3u h LEU 23 Ca 0.10 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.65 3i3u h LEU 23 Cb 0.20 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.87 3i3u h LEU 23 CO -0.01 0.45 -1.57 0.00 -0.00 0.00 0.00 178.44 177.30 3i3u h ALA 24 N 1.55 0.13 -3.00 0.17 0.00 -1.19 -3.56 119.26 113.36 3i3u h ALA 24 Ca -0.00 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.85 3i3u h ALA 24 Cb 0.83 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3i3u h ALA 24 CO 0.06 1.00 0.00 -3.47 0.00 0.00 0.00 179.25 176.84 3i3u n ASP 25 N -3.56 0.00 0.00 0.00 -0.08 0.04 -5.12 116.55 107.84 3i3u n ASP 25 Ca -0.19 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.09 3i3u n ASP 25 Cb 1.07 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.53 3i3u n ASP 25 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 3i3u n LYS 32 N 0.00 0.00 -4.28 -0.67 4.81 -1.26 -5.09 118.16 111.67 3i3u n LYS 32 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.11 3i3u n LYS 32 Cb 0.00 -0.19 -0.09 0.00 0.02 0.00 0.00 35.03 34.78 3i3u n LYS 32 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3i3u s TYR 33 N 0.00 3.10 -0.35 5.64 2.02 -1.26 -1.07 117.35 125.43 3i3u s TYR 33 Ca 0.00 0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.81 3i3u s TYR 33 Cb 0.00 -1.69 0.11 0.00 -0.40 0.00 0.00 41.96 39.98 3i3u s TYR 33 CO 0.00 0.47 0.14 0.08 -1.57 0.00 0.00 175.55 174.67 3i3u s VAL 34 N -1.07 1.05 0.67 0.71 1.01 -0.77 -4.96 120.40 117.05 3i3u s VAL 34 Ca 0.19 -1.80 -0.16 0.00 0.00 0.00 0.00 61.98 60.21 3i3u s VAL 34 Cb -0.12 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.50 3i3u s VAL 34 CO 0.09 -0.76 1.16 -0.69 0.00 0.00 0.00 175.10 174.90 3i3u s VAL 35 N 1.18 2.83 -0.15 2.92 1.01 -1.26 -2.56 120.40 124.36 3i3u s VAL 35 Ca 0.13 0.41 -0.04 0.00 0.00 0.00 0.00 61.98 62.48 3i3u s VAL 35 Cb -0.20 -2.97 0.06 0.00 0.00 0.00 0.00 36.38 33.27 3i3u s VAL 35 CO -0.15 -0.21 0.11 -0.76 0.00 0.00 0.00 175.10 174.09 3i3u s LEU 36 N -4.83 0.21 -0.64 3.92 1.43 0.46 -2.27 118.68 116.96 3i3u s LEU 36 Ca 0.71 -0.39 -0.28 0.00 -1.03 0.00 0.00 54.13 53.14 3i3u s LEU 36 Cb -0.25 -0.09 0.03 0.00 0.03 0.00 0.00 46.19 45.91 3i3u s LEU 36 CO 0.41 -0.33 1.27 -0.62 0.23 0.00 0.00 176.35 177.31 3i3u s ASP 37 N 2.19 6.28 -0.32 2.29 -1.08 -1.00 -3.56 116.67 121.46 3i3u s ASP 37 Ca 0.03 -0.08 0.05 0.00 -0.52 0.00 0.00 52.55 52.03 3i3u s ASP 37 Cb -0.15 -2.55 0.55 0.00 -1.46 0.00 0.00 42.92 39.30 3i3u s ASP 37 CO -0.08 -1.67 1.68 1.33 0.52 0.00 0.00 175.17 176.95 3i3u n VAL 38 N 6.60 2.64 -0.02 1.11 0.24 -1.25 -3.82 118.33 123.83 3i3u n VAL 38 Ca 0.07 -1.44 0.00 0.00 -2.04 0.00 0.00 64.34 60.93 3i3u n VAL 38 Cb 0.49 -0.54 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 3i3u n VAL 38 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3i3u n ARG 39 N -0.57 3.72 -3.59 7.34 1.74 -1.26 -2.61 116.66 121.42 3i3u n ARG 39 Ca 0.43 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 57.21 3i3u n ARG 39 Cb 1.35 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 32.66 3i3u n ARG 39 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i3u s ASN 40 N -1.00 3.44 0.11 0.55 4.22 -1.26 -4.28 114.94 116.72 3i3u s ASN 40 Ca 0.00 -2.06 -0.23 0.00 -2.14 0.00 0.00 52.86 48.43 3i3u s ASN 40 Cb 0.00 -0.65 -0.13 0.00 1.28 0.00 0.00 41.25 41.75 3i3u s ASN 40 CO 0.00 -0.34 0.49 0.00 -2.04 0.00 0.00 177.10 175.21 3i3u n ALA 41 N 4.25 -2.49 -1.96 3.54 0.00 -1.26 -5.18 120.51 117.41 3i3u n ALA 41 Ca 0.06 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 3i3u n ALA 41 Cb 0.38 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 3i3u n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3u n GLY 52 N 1.36 3.61 3.83 0.00 0.00 -1.26 -5.28 105.19 107.45 3i3u n GLY 52 Ca 0.14 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 3i3u n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3u s ALA 53 N 3.91 3.38 -0.24 4.61 0.00 -1.26 -4.84 121.76 127.32 3i3u s ALA 53 Ca 0.51 0.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.28 3i3u s ALA 53 Cb 0.11 -2.79 0.01 0.00 0.00 0.00 0.00 23.12 20.45 3i3u s ALA 53 CO -0.02 0.33 1.03 0.42 0.00 0.00 0.00 175.76 177.53 3i3u s ILE 54 N -1.72 4.68 0.64 0.00 1.01 -0.96 -4.71 121.20 120.13 3i3u s ILE 54 Ca 0.48 1.98 -0.18 0.00 0.00 0.00 0.00 60.65 62.93 3i3u s ILE 54 Cb -0.14 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.01 3i3u s ILE 54 CO 0.19 -0.20 1.25 0.00 0.00 0.00 0.00 174.94 176.18 3i3u s ALA 55 N 3.22 2.41 0.19 9.38 0.00 -1.26 -2.38 121.76 133.31 3i3u s ALA 55 Ca 0.44 1.08 0.08 0.00 0.00 0.00 0.00 51.96 53.55 3i3u s ALA 55 Cb -0.15 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.43 3i3u s ALA 55 CO 0.07 -1.46 -0.15 -2.14 0.00 0.00 0.00 175.76 172.08 3i3u s PRO 57 N -3.44 1.29 0.22 0.00 0.02 -1.25 -4.93 135.00 126.91 3i3u s PRO 57 Ca 0.79 -1.53 -0.08 0.00 0.02 0.00 0.00 61.00 60.20 3i3u s PRO 57 Cb -0.33 -1.13 0.23 0.00 0.02 0.00 0.00 34.50 33.29 3i3u s PRO 57 CO 0.38 0.20 1.86 0.00 -0.33 0.00 0.00 177.00 179.10 3i3u h ALA 58 N 2.75 1.04 0.00 -1.55 0.00 -1.71 -2.40 119.26 117.39 3i3u h ALA 58 Ca -0.39 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3i3u h ALA 58 Cb 1.22 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3i3u h ALA 58 CO 0.59 0.30 0.00 0.36 0.00 0.00 0.00 179.25 180.50 3i3u n LYS 59 N -4.61 0.79 0.00 0.00 2.85 -1.26 -2.47 118.16 113.46 3i3u n LYS 59 Ca 0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 3i3u n LYS 59 Cb 0.10 -1.11 0.00 0.00 -0.65 0.00 0.00 35.03 33.37 3i3u n LYS 59 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3i3u n ASP 60 N 0.60 0.00 -0.11 -5.58 8.00 -0.95 -4.91 116.55 113.59 3i3u n ASP 60 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 3i3u n ASP 60 Cb 0.39 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.50 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 0.00 0.30 -1.61 0.64 5.85 -1.12 -1.43 115.31 117.94 3i3u h LEU 61 Ca 0.00 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.83 3i3u h LEU 61 Cb 0.00 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3i3u h LEU 61 CO 0.00 0.22 0.41 0.00 -0.34 0.00 0.00 178.44 178.73 3i3u h ALA 62 N 1.18 1.99 0.00 1.25 0.00 -1.90 0.21 119.26 122.00 3i3u h ALA 62 Ca 0.15 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 3i3u h ALA 62 Cb 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3i3u h ALA 62 CO -0.09 -0.13 -0.86 1.15 0.00 0.00 0.00 179.25 179.32 3i3u h THR 63 N 0.44 0.88 -0.33 0.00 2.02 -1.80 -3.31 112.91 110.81 3i3u h THR 63 Ca 0.28 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 65.12 3i3u h THR 63 Cb 0.54 2.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 3i3u h THR 63 CO -0.08 0.50 0.00 0.54 0.37 0.00 0.00 175.52 176.85 3i3u n ARG 64 N -3.14 3.20 0.00 6.66 1.74 -0.59 -4.54 116.66 119.99 3i3u n ARG 64 Ca -0.02 -2.78 0.09 0.00 -0.77 0.00 0.00 57.85 54.38 3i3u n ARG 64 Cb 0.80 -1.82 0.55 0.00 -1.02 0.00 0.00 32.46 30.98 3i3u n ARG 64 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 3i3u n ILE 65 N -0.14 0.00 -0.03 0.55 3.06 0.66 -2.75 119.36 120.71 3i3u n ILE 65 Ca 0.21 0.00 -0.03 0.00 -2.50 0.00 0.00 62.75 60.43 3i3u n ILE 65 Cb 0.87 -0.44 -0.13 0.00 0.54 0.00 0.00 39.64 40.48 3i3u n ILE 65 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3i3u n GLY 66 N 0.56 -1.07 0.25 4.50 0.00 -1.26 -4.10 105.19 104.07 3i3u n GLY 66 Ca 0.14 -0.24 0.07 0.00 0.00 0.00 0.00 46.02 45.99 3i3u n GLY 66 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i3u n GLU 67 N -2.77 1.32 -3.44 1.61 0.28 -1.11 -4.84 120.64 111.68 3i3u n GLU 67 Ca -0.18 -0.49 -0.37 0.00 -0.16 0.00 0.00 57.16 55.96 3i3u n GLU 67 Cb 0.95 -1.24 -0.07 0.00 1.43 0.00 0.00 31.44 32.51 3i3u n GLU 67 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3i3u s LEU 68 N -1.33 4.26 -0.14 -1.84 1.43 -1.26 -5.04 118.68 114.76 3i3u s LEU 68 Ca 0.21 0.64 -0.29 0.00 -1.03 0.00 0.00 54.13 53.66 3i3u s LEU 68 Cb 0.11 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 3i3u s LEU 68 CO 0.16 0.06 1.52 -0.62 0.23 0.00 0.00 176.35 177.71 3i3u s ASP 69 N 0.53 6.65 0.00 2.29 2.15 -1.26 -4.86 116.67 122.17 3i3u s ASP 69 Ca 0.21 1.86 0.01 0.00 0.43 0.00 0.00 52.55 55.06 3i3u s ASP 69 Cb -0.14 -2.53 0.04 0.00 -0.30 0.00 0.00 42.92 39.99 3i3u s ASP 69 CO 0.07 -0.99 0.37 -0.81 -0.17 0.00 0.00 175.17 173.63 3i3u n PRO 70 N 7.16 0.31 -0.04 4.34 -0.04 -1.26 -2.49 135.00 142.98 3i3u n PRO 70 Ca 0.17 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.59 3i3u n PRO 70 Cb 0.44 -1.04 -0.07 0.00 -0.04 0.00 0.00 33.50 32.79 3i3u n PRO 70 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i3u n ALA 71 N -0.54 1.79 -2.56 0.55 0.00 -1.26 -4.90 120.51 113.60 3i3u n ALA 71 Ca 0.01 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.43 3i3u n ALA 71 Cb 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.23 4.43 -0.04 0.00 -0.14 -1.04 -5.00 119.74 115.73 3i3u s LYS 72 Ca -0.04 1.58 -0.30 0.00 -1.36 0.00 0.00 55.97 55.84 3i3u s LYS 72 Cb 0.03 -3.48 -0.04 0.00 -1.68 0.00 0.00 37.83 32.65 3i3u s LYS 72 CO 0.37 -0.28 1.34 0.99 -0.76 0.00 0.00 175.35 177.01 3i3u s THR 73 N 1.62 3.92 0.05 2.17 2.01 -0.23 -4.84 115.64 120.34 3i3u s THR 73 Ca 0.54 1.26 -0.17 0.00 0.31 0.00 0.00 61.69 63.63 3i3u s THR 73 Cb -0.24 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 68.40 3i3u s THR 73 CO 0.24 -0.02 0.50 -0.31 -0.69 0.00 0.00 174.62 174.34 3i3u s TYR 74 N 2.60 3.76 -0.07 4.92 2.02 -0.99 -1.86 117.35 127.72 3i3u s TYR 74 Ca 0.61 1.13 0.04 0.00 -0.37 0.00 0.00 57.07 58.48 3i3u s TYR 74 Cb -0.28 -2.39 0.00 0.00 -0.40 0.00 0.00 41.96 38.88 3i3u s TYR 74 CO 0.24 0.60 -0.19 0.08 -1.57 0.00 0.00 175.55 174.71 3i3u s VAL 75 N -1.13 1.61 0.03 0.71 1.01 -1.06 -1.08 120.40 120.49 3i3u s VAL 75 Ca 0.27 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.56 3i3u s VAL 75 Cb -0.18 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 3i3u s VAL 75 CO 0.17 0.46 -0.23 0.68 0.00 0.00 0.00 175.10 176.17 3i3u s VAL 76 N 0.35 1.89 0.05 2.92 -7.23 -0.79 -0.41 120.40 117.18 3i3u s VAL 76 Ca -0.13 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 3i3u s VAL 76 Cb -0.16 -1.61 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 3i3u s VAL 76 CO 0.05 0.34 -0.04 -0.72 -0.31 0.00 0.00 175.10 174.42 3i3u s TYR 77 N -0.74 0.51 0.02 2.82 -0.85 -1.23 0.73 117.35 118.62 3i3u s TYR 77 Ca 0.09 -0.75 0.06 0.00 -0.52 0.00 0.00 57.07 55.95 3i3u s TYR 77 Cb -0.09 -0.34 -0.02 0.00 0.38 0.00 0.00 41.96 41.89 3i3u s TYR 77 CO 0.01 -0.22 -0.17 0.34 -1.52 0.00 0.00 175.55 173.99 3i3u s ASP 78 N -2.18 1.98 0.00 -0.18 2.15 -1.26 -3.89 116.67 113.29 3i3u s ASP 78 Ca -0.03 -0.42 0.00 0.00 0.43 0.00 0.00 52.55 52.53 3i3u s ASP 78 Cb -0.02 -0.17 0.00 0.00 -0.30 0.00 0.00 42.92 42.43 3i3u s ASP 78 CO -0.04 0.13 0.74 -2.67 -0.17 0.00 0.00 175.17 173.16 3i3u n TRP 79 N 2.16 0.00 -0.11 -5.34 4.27 -1.26 -5.10 117.44 112.07 3i3u n TRP 79 Ca -0.16 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.45 3i3u n TRP 79 Cb 0.54 -0.27 0.00 0.00 -1.36 0.00 0.00 31.31 30.22 3i3u n TRP 79 CO 0.00 0.00 0.00 0.25 -2.29 0.00 0.00 177.69 175.65 3i3u n THR 83 N -1.24 0.00 -0.32 -1.67 -2.24 -1.26 -5.25 114.28 102.30 3i3u n THR 83 Ca 0.00 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 61.97 3i3u n THR 83 Cb 0.10 0.00 0.45 0.00 -2.10 0.00 0.00 70.33 68.78 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 0.00 0.59 -0.76 4.28 1.35 -2.04 0.13 112.91 116.46 3i3u h THR 84 Ca 0.00 -0.17 -0.03 0.00 -0.55 0.00 0.00 66.41 65.66 3i3u h THR 84 Cb 0.00 0.04 -0.03 0.00 -1.73 0.00 0.00 68.15 66.43 3i3u h THR 84 CO 0.00 0.09 0.36 -0.07 -0.25 0.00 0.00 175.52 175.65 3i3u h LEU 85 N 0.50 1.01 0.28 3.87 -0.00 -1.99 0.12 115.31 119.09 3i3u h LEU 85 Ca 0.58 -0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 58.30 3i3u h LEU 85 Cb 1.29 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.69 3i3u h LEU 85 CO -0.32 0.87 -0.14 1.23 -0.00 0.00 0.00 178.44 180.08 3i3u h GLY 86 N 1.08 -0.39 1.02 0.83 0.00 -1.12 -2.18 103.07 102.31 3i3u h GLY 86 Ca 0.26 0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.70 3i3u h GLY 86 CO -0.03 -0.14 0.30 0.50 0.00 0.00 0.00 176.54 177.17 3i3u h LYS 87 N -0.38 1.04 -0.41 4.80 1.57 -1.18 -2.29 116.57 119.73 3i3u h LYS 87 Ca -0.04 -0.18 0.08 0.00 -1.87 0.00 0.00 60.65 58.65 3i3u h LYS 87 Cb 0.29 -0.18 -0.08 0.00 0.08 0.00 0.00 32.23 32.35 3i3u h LYS 87 CO 0.06 0.85 -0.12 1.15 -0.57 0.00 0.00 179.45 180.81 3i3u h THR 88 N 1.00 0.55 -0.76 -0.16 2.02 -0.56 0.66 112.91 115.66 3i3u h THR 88 Ca 0.24 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.44 3i3u h THR 88 Cb 0.18 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 3i3u h THR 88 CO -0.02 0.00 0.49 0.00 0.37 0.00 0.00 175.52 176.36 3i3u h ALA 89 N 1.35 0.98 -0.46 6.16 0.00 -1.00 -0.49 119.26 125.80 3i3u h ALA 89 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i3u h ALA 89 Cb 0.33 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3i3u h ALA 89 CO -0.44 0.32 0.29 1.25 0.00 0.00 0.00 179.25 180.68 3i3u h LEU 90 N 0.98 0.54 -0.95 0.00 5.85 -0.78 -0.54 115.31 120.40 3i3u h LEU 90 Ca 0.29 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 3i3u h LEU 90 Cb -0.05 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 3i3u h LEU 90 CO -0.09 0.42 0.44 0.25 -0.34 0.00 0.00 178.44 179.12 3i3u h LEU 91 N 0.62 1.06 0.15 2.25 5.85 -0.28 0.84 115.31 125.81 3i3u h LEU 91 Ca 0.17 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3i3u h LEU 91 Cb -0.04 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.72 3i3u h LEU 91 CO -0.03 0.87 -0.07 0.58 -0.34 0.00 0.00 178.44 179.44 3i3u h VAL 92 N 1.18 0.91 -0.03 1.05 2.07 -0.47 -1.22 116.25 119.74 3i3u h VAL 92 Ca 0.29 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.61 3i3u h VAL 92 Cb 0.06 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3i3u h VAL 92 CO -0.04 0.05 -0.13 -0.07 0.02 0.00 0.00 177.57 177.40 3i3u h LEU 93 N -0.31 -0.39 -1.17 2.57 3.38 -0.66 -2.06 115.31 116.66 3i3u h LEU 93 Ca -0.02 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3i3u h LEU 93 Cb 0.24 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3i3u h LEU 93 CO 0.03 -0.18 -0.04 -0.07 0.09 0.00 0.00 178.44 178.27 3i3u h LEU 94 N -0.21 0.50 -0.63 1.67 3.38 -0.83 -1.62 115.31 117.57 3i3u h LEU 94 Ca 0.06 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 3i3u h LEU 94 Cb 0.28 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3i3u h LEU 94 CO -0.15 0.60 -0.38 0.28 0.09 0.00 0.00 178.44 178.88 3i3u h SER 95 N 0.50 0.69 0.64 -0.43 0.02 -1.06 -2.34 113.55 111.57 3i3u h SER 95 Ca 0.10 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3i3u h SER 95 Cb 0.38 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3i3u h SER 95 CO 0.02 1.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.70 3i3u h ALA 96 N 1.04 1.00 0.00 3.77 0.00 -0.94 -3.45 119.26 120.68 3i3u h ALA 96 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i3u h ALA 96 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3i3u h ALA 96 CO 0.08 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.74 3i3u n GLY 97 N -0.38 0.76 3.73 0.00 0.00 -0.88 -5.10 105.19 103.33 3i3u n GLY 97 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 2.39 -0.31 1.61 0.08 -0.65 -4.98 117.98 114.12 3i3u s PHE 98 Ca 0.00 1.36 -0.05 0.00 0.12 0.00 0.00 56.93 58.35 3i3u s PHE 98 Cb 0.00 -3.13 0.03 0.00 -0.57 0.00 0.00 43.02 39.36 3i3u s PHE 98 CO 0.00 -2.21 0.06 -1.21 -0.10 0.00 0.00 175.22 171.76 3i3u s GLU 99 N -4.92 2.71 0.17 0.44 0.41 -1.26 -4.27 118.70 111.98 3i3u s GLU 99 Ca 0.63 -1.10 -0.00 0.00 -0.41 0.00 0.00 54.97 54.08 3i3u s GLU 99 Cb -0.18 -3.34 -0.04 0.00 -1.78 0.00 0.00 34.13 28.79 3i3u s GLU 99 CO 0.57 -0.58 0.07 0.00 -0.49 0.00 0.00 175.26 174.83 3i3u s ALA 100 N 1.39 1.12 0.23 5.21 0.00 -1.26 -2.35 121.76 126.09 3i3u s ALA 100 Ca -0.01 -1.60 -0.05 0.00 0.00 0.00 0.00 51.96 50.29 3i3u s ALA 100 Cb -0.19 0.99 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 3i3u s ALA 100 CO 0.01 -0.49 0.28 0.71 0.00 0.00 0.00 175.76 176.28 3i3u s TYR 101 N -3.99 0.86 -0.13 0.00 2.02 -0.25 -4.96 117.35 110.90 3i3u s TYR 101 Ca 0.30 -1.13 -0.04 0.00 -0.37 0.00 0.00 57.07 55.83 3i3u s TYR 101 Cb 0.07 -0.25 -0.03 0.00 -0.40 0.00 0.00 41.96 41.35 3i3u s TYR 101 CO 0.06 -0.80 0.01 -2.00 -1.57 0.00 0.00 175.55 171.25 3i3u s GLU 102 N -4.04 3.43 0.01 -0.62 2.12 0.12 -1.88 118.70 117.84 3i3u s GLU 102 Ca 0.32 -0.41 -0.30 0.00 0.36 0.00 0.00 54.97 54.94 3i3u s GLU 102 Cb 0.04 -2.94 -0.08 0.00 0.26 0.00 0.00 34.13 31.40 3i3u s GLU 102 CO 0.12 0.48 1.95 -1.17 -0.54 0.00 0.00 175.26 176.09 3i3u s LEU 103 N -0.25 4.37 0.00 2.70 2.96 0.22 -1.29 118.68 127.40 3i3u s LEU 103 Ca 0.06 2.59 0.00 0.00 -0.22 0.00 0.00 54.13 56.56 3i3u s LEU 103 Cb -0.12 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.04 3i3u s LEU 103 CO 0.02 -1.09 0.27 0.00 -1.32 0.00 0.00 176.35 174.23