#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmx s SER 2 N 0.00 0.52 0.14 1.61 1.04 -1.26 -5.17 113.70 110.59 2dmx s SER 2 Ca 0.00 -0.80 -0.25 0.00 0.48 0.00 0.00 55.95 55.38 2dmx s SER 2 Cb 0.00 0.14 0.07 0.00 0.10 0.00 0.00 66.02 66.33 2dmx s SER 2 CO 0.00 -0.45 0.89 -0.94 0.98 0.00 0.00 173.24 173.72 2dmx s SER 3 N -2.36 -0.25 -0.44 7.02 1.04 -1.26 -4.85 113.70 112.60 2dmx s SER 3 Ca -0.01 -0.33 -0.28 0.00 0.48 0.00 0.00 55.95 55.81 2dmx s SER 3 Cb 0.00 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 66.63 2dmx s SER 3 CO -0.06 -0.91 1.62 -0.83 0.98 0.00 0.00 173.24 174.04 2dmx s GLY 4 N -2.84 0.80 0.03 7.32 0.00 -1.26 -4.89 107.32 106.48 2dmx s GLY 4 Ca 0.10 -0.19 -0.27 0.00 0.00 0.00 0.00 44.72 44.36 2dmx s GLY 4 CO -0.00 3.06 1.33 1.48 0.00 0.00 0.00 173.10 178.97 2dmx h SER 5 N 12.23 -0.53 -3.25 1.64 4.64 -2.00 -3.44 113.55 122.85 2dmx h SER 5 Ca -0.29 -0.08 -0.43 0.00 -0.47 0.00 0.00 61.79 60.52 2dmx h SER 5 Cb 1.13 0.14 -0.39 0.00 -0.31 0.00 0.00 62.40 62.97 2dmx h SER 5 CO 1.11 -0.21 -0.76 -0.55 -0.87 0.00 0.00 176.83 175.54 2dmx s SER 6 N -4.79 1.67 0.00 4.97 0.15 -1.26 -5.08 113.70 109.36 2dmx s SER 6 Ca -0.15 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.34 2dmx s SER 6 Cb 0.02 -0.38 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 2dmx s SER 6 CO 0.54 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.37 2dmx n GLY 7 N 5.18 0.27 3.80 9.45 0.00 -1.26 -5.06 105.19 117.56 2dmx n GLY 7 Ca -0.06 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 2dmx n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2dmx s MET 8 N -0.45 3.58 -0.04 1.61 0.00 -1.26 -5.04 119.30 117.70 2dmx s MET 8 Ca 0.00 1.34 0.02 0.00 0.00 0.00 0.00 55.69 57.05 2dmx s MET 8 Cb 0.00 -2.06 0.01 0.00 0.00 0.00 0.00 34.83 32.78 2dmx s MET 8 CO 0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 175.02 174.33 2dmx s ALA 9 N -2.12 0.85 -0.17 3.16 0.00 -1.26 -4.66 121.76 117.57 2dmx s ALA 9 Ca 0.67 -0.22 -0.29 0.00 0.00 0.00 0.00 51.96 52.12 2dmx s ALA 9 Cb -0.17 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.54 2dmx s ALA 9 CO 0.27 0.07 1.03 -0.80 0.00 0.00 0.00 175.76 176.32 2dmx s ASN 10 N 0.60 7.17 0.17 0.00 0.01 -1.26 -4.94 114.94 116.69 2dmx s ASN 10 Ca -0.09 1.46 -0.15 0.00 -0.71 0.00 0.00 52.86 53.37 2dmx s ASN 10 Cb -0.13 -2.55 0.14 0.00 0.41 0.00 0.00 41.25 39.12 2dmx s ASN 10 CO 0.01 -0.56 1.70 1.88 -1.51 0.00 0.00 177.10 178.63 2dmx h TYR 11 N 7.28 0.04 -0.81 2.20 0.05 -1.99 -0.81 116.97 122.93 2dmx h TYR 11 Ca -0.25 0.03 0.17 0.00 0.05 0.00 0.00 58.73 58.73 2dmx h TYR 11 Cb 1.10 0.05 -0.11 0.00 1.01 0.00 0.00 36.73 38.78 2dmx h TYR 11 CO 0.73 -0.05 0.33 1.88 -1.05 0.00 0.00 178.16 180.00 2dmx h TYR 12 N 0.15 0.55 0.16 4.88 0.05 -1.92 -1.51 116.97 119.34 2dmx h TYR 12 Ca 0.21 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 59.02 2dmx h TYR 12 Cb 0.29 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.92 2dmx h TYR 12 CO -0.25 0.02 -0.08 0.93 -1.05 0.00 0.00 178.16 177.73 2dmx h GLU 13 N 0.42 -0.21 -0.73 4.88 4.39 -1.51 0.20 114.58 122.01 2dmx h GLU 13 Ca 0.47 0.01 0.14 0.00 0.34 0.00 0.00 59.36 60.32 2dmx h GLU 13 Cb 0.79 0.05 -0.14 0.00 -0.10 0.00 0.00 28.75 29.35 2dmx h GLU 13 CO -0.46 0.15 -0.26 0.28 -1.16 0.00 0.00 179.01 177.56 2dmx h VAL 14 N -0.62 0.18 -0.13 3.13 2.07 -0.40 -0.78 116.25 119.71 2dmx h VAL 14 Ca -0.02 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.33 2dmx h VAL 14 Cb 0.46 0.18 0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2dmx h VAL 14 CO 0.04 0.00 -0.56 -0.07 0.02 0.00 0.00 177.57 177.00 2dmx h LEU 15 N -0.06 0.71 -0.06 2.57 3.38 -1.34 -3.48 115.31 117.03 2dmx h LEU 15 Ca 0.32 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2dmx h LEU 15 Cb 0.56 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2dmx h LEU 15 CO -0.78 1.22 0.00 0.61 0.09 0.00 0.00 178.44 179.59 2dmx n GLY 16 N 0.68 0.65 3.37 0.83 0.00 0.56 -4.91 105.19 106.38 2dmx n GLY 16 Ca -0.08 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 2dmx n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2dmx s VAL 17 N -1.37 0.43 0.24 1.61 -7.23 -0.46 -5.03 120.40 108.59 2dmx s VAL 17 Ca 0.00 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.22 2dmx s VAL 17 Cb 0.00 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 2dmx s VAL 17 CO 0.00 0.00 0.35 -1.10 -0.31 0.00 0.00 175.10 174.04 2dmx s GLN 18 N -3.81 3.39 0.30 4.82 -0.21 -1.26 -4.57 119.66 118.33 2dmx s GLN 18 Ca 0.34 -0.79 -0.01 0.00 0.02 0.00 0.00 55.36 54.92 2dmx s GLN 18 Cb 0.05 -2.87 0.47 0.00 1.00 0.00 0.00 33.01 31.66 2dmx s GLN 18 CO 0.17 0.41 1.96 0.00 -2.12 0.00 0.00 175.29 175.71 2dmx h ALA 19 N 1.18 1.44 -0.31 6.09 0.00 -2.02 -0.47 119.26 125.18 2dmx h ALA 19 Ca -0.52 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2dmx h ALA 19 Cb 1.23 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2dmx h ALA 19 CO 0.61 0.50 0.00 -1.13 0.00 0.00 0.00 179.25 179.23 2dmx n SER 20 N -4.43 3.04 -4.72 0.00 3.41 -1.26 -4.94 113.62 104.73 2dmx n SER 20 Ca 0.10 -2.35 -0.31 0.00 -0.26 0.00 0.00 58.87 56.05 2dmx n SER 20 Cb 0.06 -0.51 0.13 0.00 -0.26 0.00 0.00 64.21 63.63 2dmx n SER 20 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dmx s ALA 21 N -1.79 1.84 0.63 7.33 0.00 -0.19 -5.02 121.76 124.56 2dmx s ALA 21 Ca 0.27 0.36 -0.10 0.00 0.00 0.00 0.00 51.96 52.48 2dmx s ALA 21 Cb 0.19 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 2dmx s ALA 21 CO 0.10 -2.24 1.02 -1.12 0.00 0.00 0.00 175.76 173.52 2dmx s SER 22 N -3.10 5.96 0.53 0.00 0.01 -1.26 -4.97 113.70 110.87 2dmx s SER 22 Ca 0.64 1.24 0.33 0.00 1.31 0.00 0.00 55.95 59.47 2dmx s SER 22 Cb -0.20 -2.24 1.37 0.00 0.21 0.00 0.00 66.02 65.17 2dmx s SER 22 CO 0.57 -1.00 1.97 1.55 0.41 0.00 0.00 173.24 176.75 2dmx h PRO 23 N -0.36 0.00 0.14 12.44 0.13 -2.00 -3.07 132.00 139.28 2dmx h PRO 23 Ca -0.45 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.33 2dmx h PRO 23 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2dmx h PRO 23 CO 0.62 0.00 -1.89 1.49 -0.23 0.00 0.00 178.00 177.99 2dmx h GLU 24 N 0.00 0.29 -0.67 0.86 4.81 -2.00 -3.29 114.58 114.59 2dmx h GLU 24 Ca 0.00 -0.50 0.09 0.00 -0.13 0.00 0.00 59.36 58.82 2dmx h GLU 24 Cb 0.47 0.19 -0.07 0.00 0.63 0.00 0.00 28.75 29.97 2dmx h GLU 24 CO 0.00 1.21 0.31 -0.44 -0.73 0.00 0.00 179.01 179.37 2dmx h ASP 25 N 0.08 0.39 -0.67 1.04 5.19 -1.93 0.10 116.42 120.62 2dmx h ASP 25 Ca -0.39 0.06 -0.07 0.00 -0.62 0.00 0.00 57.03 56.02 2dmx h ASP 25 Cb 2.06 -0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.54 2dmx h ASP 25 CO 0.12 0.23 0.16 0.40 -3.12 0.00 0.00 179.24 177.03 2dmx h ILE 26 N 0.54 1.26 0.48 0.35 2.04 -1.71 -1.22 117.51 119.25 2dmx h ILE 26 Ca 0.33 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 2dmx h ILE 26 Cb 0.35 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2dmx h ILE 26 CO -0.27 0.37 -0.23 0.50 0.00 0.00 0.00 178.15 178.52 2dmx h LYS 27 N 1.01 -0.62 -0.94 2.37 3.11 -1.37 -2.20 116.57 117.93 2dmx h LYS 27 Ca 0.21 0.04 0.07 0.00 -2.81 0.00 0.00 60.65 58.17 2dmx h LYS 27 Cb 0.38 0.14 -0.06 0.00 -1.00 0.00 0.00 32.23 31.68 2dmx h LYS 27 CO 0.00 -0.35 0.61 1.57 -2.81 0.00 0.00 179.45 178.48 2dmx h LYS 28 N -0.79 1.02 0.00 1.90 2.10 -1.00 -2.36 116.57 117.45 2dmx h LYS 28 Ca -0.07 -0.06 0.02 0.00 -2.00 0.00 0.00 60.65 58.54 2dmx h LYS 28 Cb 0.56 -0.23 -0.02 0.00 -0.90 0.00 0.00 32.23 31.64 2dmx h LYS 28 CO 0.11 0.68 -0.09 0.00 -2.00 0.00 0.00 179.45 178.15 2dmx h ALA 29 N 1.50 -0.09 0.15 0.07 0.00 -1.07 -2.75 119.26 117.06 2dmx h ALA 29 Ca 0.42 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 2dmx h ALA 29 Cb 0.25 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2dmx h ALA 29 CO -0.17 -0.58 -0.19 -0.92 0.00 0.00 0.00 179.25 177.39 2dmx h TYR 30 N -0.15 -0.52 -0.67 0.00 3.20 -0.88 0.27 116.97 118.21 2dmx h TYR 30 Ca 0.03 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.97 2dmx h TYR 30 Cb 0.19 0.21 -0.08 0.00 1.54 0.00 0.00 36.73 38.59 2dmx h TYR 30 CO -0.15 -0.24 -0.40 0.54 -1.64 0.00 0.00 178.16 176.28 2dmx n ARG 31 N -3.46 -0.30 -0.06 1.82 1.74 -1.04 0.38 116.66 115.75 2dmx n ARG 31 Ca -0.04 1.10 -0.09 0.00 -0.77 0.00 0.00 57.85 58.06 2dmx n ARG 31 Cb 0.16 -1.63 -0.02 0.00 -1.02 0.00 0.00 32.46 29.96 2dmx n ARG 31 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2dmx h LYS 32 N 0.00 0.18 0.15 5.56 1.79 -1.37 -3.07 116.57 119.82 2dmx h LYS 32 Ca 0.11 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.57 2dmx h LYS 32 Cb 0.28 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.85 2dmx h LYS 32 CO -0.63 0.12 -0.45 -0.07 -1.08 0.00 0.00 179.45 177.35 2dmx h LEU 33 N 0.19 -1.32 -0.75 2.94 3.38 0.36 -0.88 115.31 119.22 2dmx h LEU 33 Ca 0.10 0.13 0.14 0.00 0.09 0.00 0.00 57.88 58.35 2dmx h LEU 33 Cb 0.07 0.48 -0.14 0.00 0.09 0.00 0.00 40.66 41.16 2dmx h LEU 33 CO -0.11 -0.49 -0.21 0.00 0.09 0.00 0.00 178.44 177.72 2dmx n ALA 34 N -2.83 0.11 -0.16 1.53 0.00 0.11 0.23 120.51 119.49 2dmx n ALA 34 Ca -0.08 0.81 -0.08 0.00 0.00 0.00 0.00 53.44 54.09 2dmx n ALA 34 Cb 0.36 -0.46 0.07 0.00 0.00 0.00 0.00 19.45 19.42 2dmx n ALA 34 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2dmx h LEU 35 N 0.00 0.94 0.37 0.00 3.38 -1.35 -1.04 115.31 117.61 2dmx h LEU 35 Ca 0.34 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2dmx h LEU 35 Cb 0.53 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2dmx h LEU 35 CO -0.77 1.03 -0.18 -0.09 0.09 0.00 0.00 178.44 178.52 2dmx h ARG 36 N 0.87 -0.48 -0.52 1.13 2.43 0.42 -2.20 114.38 116.02 2dmx h ARG 36 Ca 0.15 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2dmx h ARG 36 Cb 0.58 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2dmx h ARG 36 CO 0.04 -0.30 0.00 0.91 -1.51 0.00 0.00 179.97 179.11 2dmx n TRP 37 N -5.29 0.32 -1.96 2.20 7.02 0.42 -4.86 117.44 115.29 2dmx n TRP 37 Ca -0.11 -0.13 -0.41 0.00 -1.02 0.00 0.00 57.50 55.84 2dmx n TRP 37 Cb 0.23 -0.09 -0.01 0.00 -2.42 0.00 0.00 31.31 29.01 2dmx n TRP 37 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 2dmx s HIS 38 N -1.59 2.82 0.14 -5.99 2.46 -0.40 -4.17 115.29 108.57 2dmx s HIS 38 Ca 0.11 1.28 -0.11 0.00 0.47 0.00 0.00 55.06 56.81 2dmx s HIS 38 Cb 0.07 -3.85 -0.05 0.00 -0.13 0.00 0.00 32.58 28.62 2dmx s HIS 38 CO 0.05 -2.44 1.47 -1.00 -2.47 0.00 0.00 174.74 170.35 2dmx h PRO 39 N 3.26 0.93 -0.43 2.88 0.13 -1.85 -2.69 132.00 134.23 2dmx h PRO 39 Ca -0.50 -0.49 -0.07 0.00 -0.87 0.00 0.00 66.00 64.07 2dmx h PRO 39 Cb 1.23 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2dmx h PRO 39 CO 0.65 1.14 -0.01 0.22 -0.23 0.00 0.00 178.00 179.77 2dmx h ASP 40 N 0.74 0.68 1.31 1.44 3.58 -1.92 -2.18 116.42 120.08 2dmx h ASP 40 Ca 0.06 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 2dmx h ASP 40 Cb 0.97 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.84 2dmx h ASP 40 CO 0.09 0.76 -0.05 0.11 -2.88 0.00 0.00 179.24 177.27 2dmx h LYS 41 N 0.67 0.00 -4.40 0.28 1.79 -1.85 -3.39 116.57 109.67 2dmx h LYS 41 Ca 0.13 0.00 -0.72 0.00 -2.18 0.00 0.00 60.65 57.89 2dmx h LYS 41 Cb 0.44 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 30.79 2dmx h LYS 41 CO 0.02 0.05 -0.45 -0.80 -1.08 0.00 0.00 179.45 177.19 2dmx s ASN 42 N -5.95 5.58 -0.02 0.86 0.01 -0.82 -4.96 114.94 109.64 2dmx s ASN 42 Ca 0.03 -1.77 -0.26 0.00 -0.71 0.00 0.00 52.86 50.15 2dmx s ASN 42 Cb 0.08 -1.96 -0.20 0.00 0.41 0.00 0.00 41.25 39.58 2dmx s ASN 42 CO 0.60 -0.60 1.25 1.55 -1.51 0.00 0.00 177.10 178.38 2dmx h PRO 43 N 8.36 -0.03 -0.57 -0.60 0.13 -1.78 -3.32 132.00 134.18 2dmx h PRO 43 Ca -0.20 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.99 2dmx h PRO 43 Cb 1.07 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.12 2dmx h PRO 43 CO 0.79 0.44 -0.56 -0.44 -0.23 0.00 0.00 178.00 178.00 2dmx h ASP 44 N -0.52 -1.93 -3.16 1.44 3.32 -1.93 -3.38 116.42 110.26 2dmx h ASP 44 Ca -0.00 0.27 -0.60 0.00 0.02 0.00 0.00 57.03 56.71 2dmx h ASP 44 Cb 0.49 0.81 -0.35 0.00 0.22 0.00 0.00 39.33 40.50 2dmx h ASP 44 CO 0.01 -0.35 -0.84 0.54 -1.72 0.00 0.00 179.24 176.88 2dmx s ASN 45 N -5.15 2.64 -0.21 6.45 2.20 -1.25 -5.02 114.94 114.60 2dmx s ASN 45 Ca -0.13 -0.48 -0.16 0.00 -0.94 0.00 0.00 52.86 51.15 2dmx s ASN 45 Cb 0.09 -1.17 -0.12 0.00 -2.00 0.00 0.00 41.25 38.05 2dmx s ASN 45 CO 0.61 -0.03 -0.09 0.29 -2.94 0.00 0.00 177.10 174.94 2dmx n LYS 46 N 4.59 0.54 0.29 3.55 4.01 -1.25 -4.16 118.16 125.72 2dmx n LYS 46 Ca -0.18 0.44 -0.11 0.00 -0.51 0.00 0.00 58.31 57.95 2dmx n LYS 46 Cb 0.50 -1.63 -0.05 0.00 -0.51 0.00 0.00 35.03 33.34 2dmx n LYS 46 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 2dmx h GLU 47 N -1.00 -0.72 -0.83 1.97 4.81 -1.92 -1.64 114.58 115.25 2dmx h GLU 47 Ca -0.31 0.05 0.28 0.00 -0.13 0.00 0.00 59.36 59.24 2dmx h GLU 47 Cb 1.16 0.16 -0.15 0.00 0.63 0.00 0.00 28.75 30.55 2dmx h GLU 47 CO -0.19 -0.48 0.20 -1.91 -0.73 0.00 0.00 179.01 175.90 2dmx n GLU 48 N -4.40 -0.06 -0.02 1.92 2.13 -1.26 0.10 120.64 119.05 2dmx n GLU 48 Ca -0.09 1.20 -0.13 0.00 0.66 0.00 0.00 57.16 58.80 2dmx n GLU 48 Cb 0.29 -2.01 -0.09 0.00 0.27 0.00 0.00 31.44 29.91 2dmx n GLU 48 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2dmx h ALA 49 N 1.66 0.06 -0.94 4.31 0.00 -1.70 -3.17 119.26 119.48 2dmx h ALA 49 Ca 0.59 -0.26 0.27 0.00 0.00 0.00 0.00 54.91 55.51 2dmx h ALA 49 Cb 1.38 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 19.02 2dmx h ALA 49 CO -0.72 -0.17 0.41 1.49 0.00 0.00 0.00 179.25 180.26 2dmx h GLU 50 N -0.34 0.29 0.16 0.00 4.81 0.17 -0.16 114.58 119.52 2dmx h GLU 50 Ca 0.01 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2dmx h GLU 50 Cb 0.52 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 2dmx h GLU 50 CO 0.01 0.19 -0.34 -0.22 -0.73 0.00 0.00 179.01 177.92 2dmx h LYS 51 N 0.30 -0.57 -1.00 1.92 1.63 -1.32 -1.85 116.57 115.68 2dmx h LYS 51 Ca 0.63 0.04 0.19 0.00 -0.85 0.00 0.00 60.65 60.65 2dmx h LYS 51 Cb 1.33 0.13 -0.11 0.00 -0.60 0.00 0.00 32.23 32.98 2dmx h LYS 51 CO -0.61 -0.38 0.61 0.87 -3.45 0.00 0.00 179.45 176.49 2dmx h LYS 52 N -0.59 0.75 -0.97 1.90 1.79 -1.09 0.52 116.57 118.88 2dmx h LYS 52 Ca 0.02 -0.04 0.17 0.00 -2.18 0.00 0.00 60.65 58.61 2dmx h LYS 52 Cb 0.61 -0.17 -0.10 0.00 -1.58 0.00 0.00 32.23 30.99 2dmx h LYS 52 CO -0.18 0.49 0.58 0.35 -1.08 0.00 0.00 179.45 179.61 2dmx h PHE 53 N 0.77 1.02 -0.49 -1.35 3.04 -0.84 0.68 116.94 119.77 2dmx h PHE 53 Ca 0.58 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.47 2dmx h PHE 53 Cb 0.88 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 39.07 2dmx h PHE 53 CO -0.01 0.27 -0.05 -0.22 -2.02 0.00 0.00 178.31 176.28 2dmx h LYS 54 N 0.78 0.85 0.12 1.11 3.64 -0.73 -2.09 116.57 120.25 2dmx h LYS 54 Ca 0.54 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 2dmx h LYS 54 Cb 0.76 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2dmx h LYS 54 CO -0.36 0.88 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.58 2dmx h LEU 55 N 0.78 -0.14 -1.65 5.20 3.38 -0.74 0.18 115.31 122.32 2dmx h LEU 55 Ca 0.14 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2dmx h LEU 55 Cb 0.54 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2dmx h LEU 55 CO 0.03 0.07 0.25 1.62 0.09 0.00 0.00 178.44 180.50 2dmx h VAL 56 N -0.35 1.08 -0.02 1.22 3.04 -1.22 0.13 116.25 120.12 2dmx h VAL 56 Ca -0.02 -0.16 -0.15 0.00 -1.01 0.00 0.00 66.70 65.36 2dmx h VAL 56 Cb 0.28 0.56 0.01 0.00 -2.01 0.00 0.00 31.29 30.13 2dmx h VAL 56 CO 0.03 0.09 -0.56 -1.28 -1.01 0.00 0.00 177.57 174.84 2dmx h SER 57 N 0.47 0.53 0.71 3.17 0.87 -1.14 -1.89 113.55 116.29 2dmx h SER 57 Ca 0.14 -0.73 -0.04 0.00 -1.23 0.00 0.00 61.79 59.93 2dmx h SER 57 Cb -0.01 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 61.79 2dmx h SER 57 CO -0.03 1.19 -0.34 -0.08 -0.53 0.00 0.00 176.83 177.04 2dmx h GLU 58 N -0.07 -0.92 -0.01 2.24 4.57 -0.21 -3.08 114.58 117.09 2dmx h GLU 58 Ca -0.06 0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 2dmx h GLU 58 Cb 1.25 0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 30.03 2dmx h GLU 58 CO 0.11 -0.59 -0.12 0.00 -1.18 0.00 0.00 179.01 177.23 2dmx h ALA 59 N -1.00 -0.14 -1.26 2.92 0.00 -1.12 -1.86 119.26 116.81 2dmx h ALA 59 Ca -0.10 0.01 0.45 0.00 0.00 0.00 0.00 54.91 55.28 2dmx h ALA 59 Cb 0.76 0.22 -0.15 0.00 0.00 0.00 0.00 17.79 18.62 2dmx h ALA 59 CO 0.16 -0.61 0.77 -0.92 0.00 0.00 0.00 179.25 178.65 2dmx h TYR 60 N -0.21 0.61 0.11 0.00 3.20 -1.38 0.62 116.97 119.93 2dmx h TYR 60 Ca 0.05 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.78 2dmx h TYR 60 Cb 0.27 -0.14 0.02 0.00 1.54 0.00 0.00 36.73 38.41 2dmx h TYR 60 CO -0.19 -0.33 -0.72 0.93 -1.64 0.00 0.00 178.16 176.21 2dmx h GLU 61 N 0.02 0.29 -1.08 1.82 4.39 -1.27 -2.07 114.58 116.67 2dmx h GLU 61 Ca 0.86 -0.46 0.33 0.00 0.34 0.00 0.00 59.36 60.43 2dmx h GLU 61 Cb 2.61 0.17 -0.13 0.00 -0.10 0.00 0.00 28.75 31.30 2dmx h GLU 61 CO -0.56 1.20 0.66 0.28 -1.16 0.00 0.00 179.01 179.44 2dmx h VAL 62 N -0.38 0.33 0.05 3.13 2.07 0.93 0.12 116.25 122.49 2dmx h VAL 62 Ca -0.12 -0.11 -0.23 0.00 0.82 0.00 0.00 66.70 67.06 2dmx h VAL 62 Cb 1.55 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2dmx h VAL 62 CO 0.14 0.06 -1.25 -0.07 0.02 0.00 0.00 177.57 176.46 2dmx h LEU 63 N 0.31 0.17 -0.95 2.57 3.38 -1.47 0.12 115.31 119.43 2dmx h LEU 63 Ca 0.71 -0.73 0.23 0.00 0.09 0.00 0.00 57.88 58.19 2dmx h LEU 63 Cb 1.80 -0.05 -0.12 0.00 0.09 0.00 0.00 40.66 42.38 2dmx h LEU 63 CO -0.48 1.52 0.50 0.77 0.09 0.00 0.00 178.44 180.84 2dmx h SER 64 N -0.66 0.52 -4.24 -0.43 4.64 -0.49 -3.41 113.55 109.49 2dmx h SER 64 Ca -0.30 0.14 -0.50 0.00 -0.47 0.00 0.00 61.79 60.65 2dmx h SER 64 Cb 1.50 0.07 0.09 0.00 -0.31 0.00 0.00 62.40 63.75 2dmx h SER 64 CO -0.07 0.06 0.37 -1.81 -0.87 0.00 0.00 176.83 174.51 2dmx s ASP 65 N -5.20 5.30 -0.15 4.97 1.01 0.29 -4.99 116.67 117.90 2dmx s ASP 65 Ca -0.11 1.84 -0.11 0.00 0.71 0.00 0.00 52.55 54.88 2dmx s ASP 65 Cb 0.26 -2.53 -0.24 0.00 1.01 0.00 0.00 42.92 41.42 2dmx s ASP 65 CO 0.79 -1.50 0.31 -1.54 0.21 0.00 0.00 175.17 173.45 2dmx n SER 66 N -2.57 2.05 -0.16 0.27 3.41 -1.26 -2.62 113.62 112.73 2dmx n SER 66 Ca 0.09 0.27 -0.09 0.00 -0.26 0.00 0.00 58.87 58.88 2dmx n SER 66 Cb 0.53 -0.89 0.05 0.00 -0.26 0.00 0.00 64.21 63.63 2dmx n SER 66 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2dmx h LYS 67 N -0.23 0.97 -0.00 4.33 2.10 -1.94 -1.74 116.57 120.06 2dmx h LYS 67 Ca -0.41 -0.35 -0.00 0.00 -2.00 0.00 0.00 60.65 57.90 2dmx h LYS 67 Cb 1.83 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 33.09 2dmx h LYS 67 CO 0.00 1.02 -0.00 0.87 -2.00 0.00 0.00 179.45 179.34 2dmx h LYS 68 N 0.87 0.00 0.01 0.07 1.57 -1.78 -2.76 116.57 114.54 2dmx h LYS 68 Ca 0.14 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 2dmx h LYS 68 Cb 0.65 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.91 2dmx h LYS 68 CO 0.04 0.76 -0.32 -0.09 -0.57 0.00 0.00 179.45 179.28 2dmx h ARG 69 N -0.76 -0.45 -0.28 3.15 9.65 -0.71 0.99 114.38 125.97 2dmx h ARG 69 Ca -0.00 0.03 0.05 0.00 -1.10 0.00 0.00 59.98 58.96 2dmx h ARG 69 Cb 0.76 0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 29.39 2dmx h ARG 69 CO 0.00 -0.30 -0.05 0.77 2.80 0.00 0.00 179.97 183.19 2dmx h SER 70 N -0.47 -0.21 -0.27 -3.80 0.02 -1.44 -0.82 113.55 106.56 2dmx h SER 70 Ca 0.06 0.08 0.05 0.00 -0.84 0.00 0.00 61.79 61.13 2dmx h SER 70 Cb 0.55 0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.20 2dmx h SER 70 CO -0.26 -0.07 -0.00 -0.07 -1.14 0.00 0.00 176.83 175.29 2dmx h LEU 71 N 0.03 -0.11 -0.92 5.07 3.38 -1.14 -0.23 115.31 121.38 2dmx h LEU 71 Ca 0.13 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.23 2dmx h LEU 71 Cb 0.20 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 2dmx h LEU 71 CO -0.27 -0.02 0.59 0.22 0.09 0.00 0.00 178.44 179.05 2dmx h TYR 72 N 0.08 1.08 0.76 1.13 3.20 -0.30 0.27 116.97 123.19 2dmx h TYR 72 Ca 0.13 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 2dmx h TYR 72 Cb 0.17 -0.35 0.01 0.00 1.54 0.00 0.00 36.73 38.09 2dmx h TYR 72 CO -0.21 0.56 -0.36 0.22 -1.64 0.00 0.00 178.16 176.72 2dmx h ASP 73 N 1.07 -0.86 -0.57 -2.11 3.58 -0.37 -2.79 116.42 114.36 2dmx h ASP 73 Ca 0.40 0.03 0.07 0.00 0.42 0.00 0.00 57.03 57.95 2dmx h ASP 73 Cb 0.17 0.22 -0.06 0.00 1.72 0.00 0.00 39.33 41.38 2dmx h ASP 73 CO -0.17 -0.51 0.25 0.08 -2.88 0.00 0.00 179.24 176.00 2dmx h ARG 74 N -1.23 0.44 -0.34 0.28 0.11 -0.92 -2.80 114.38 109.92 2dmx h ARG 74 Ca -0.10 -0.03 0.04 0.00 0.10 0.00 0.00 59.98 59.99 2dmx h ARG 74 Cb 0.78 -0.10 -0.08 0.00 1.11 0.00 0.00 29.97 31.68 2dmx h ARG 74 CO 0.17 0.29 -0.56 0.00 0.10 0.00 0.00 179.97 179.98 2dmx h ALA 75 N 1.36 -0.82 0.00 0.08 0.00 -0.48 -3.48 119.26 115.92 2dmx h ALA 75 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2dmx h ALA 75 Cb 0.27 1.10 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2dmx h ALA 75 CO -0.24 -1.07 0.00 0.41 0.00 0.00 0.00 179.25 178.35 2dmx n GLY 76 N -1.39 3.54 0.13 0.00 0.00 -1.05 -4.98 105.19 101.43 2dmx n GLY 76 Ca -0.04 -1.43 -0.19 0.00 0.00 0.00 0.00 46.02 44.37 2dmx n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmx s ASP 78 N -6.86 7.44 0.13 0.00 1.11 -1.26 -5.05 116.67 112.18 2dmx s ASP 78 Ca -0.13 1.87 0.09 0.00 0.18 0.00 0.00 52.55 54.56 2dmx s ASP 78 Cb 0.03 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 2dmx s ASP 78 CO 0.83 -0.10 -0.22 -0.94 1.18 0.00 0.00 175.17 175.92 2dmx s SER 79 N -0.04 2.80 -0.18 0.27 1.04 -1.26 -5.13 113.70 111.19 2dmx s SER 79 Ca 0.48 -0.75 -0.05 0.00 0.48 0.00 0.00 55.95 56.11 2dmx s SER 79 Cb -0.25 -0.17 0.06 0.00 0.10 0.00 0.00 66.02 65.76 2dmx s SER 79 CO 0.31 0.07 0.08 0.26 0.98 0.00 0.00 173.24 174.94 2dmx s TRP 80 N -1.38 0.35 -0.09 5.02 0.52 -1.26 -5.13 118.94 116.98 2dmx s TRP 80 Ca 0.11 -0.43 -0.06 0.00 0.02 0.00 0.00 56.10 55.73 2dmx s TRP 80 Cb -0.09 -0.76 0.03 0.00 -1.15 0.00 0.00 33.47 31.50 2dmx s TRP 80 CO 0.06 -0.54 0.22 -0.98 0.02 0.00 0.00 176.95 175.72 2dmx s ARG 81 N 2.09 0.22 0.30 4.98 1.70 -1.26 -5.14 118.95 121.84 2dmx s ARG 81 Ca 0.02 0.37 -0.30 0.00 -0.47 0.00 0.00 55.73 55.36 2dmx s ARG 81 Cb -0.16 0.02 -0.11 0.00 -0.57 0.00 0.00 34.95 34.13 2dmx s ARG 81 CO -0.10 -0.08 1.52 0.00 -1.08 0.00 0.00 175.30 175.56 2dmx s ALA 82 N 0.54 3.67 0.00 7.88 0.00 -1.26 -4.67 121.76 127.92 2dmx s ALA 82 Ca -0.04 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.42 2dmx s ALA 82 Cb -0.05 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2dmx s ALA 82 CO -0.03 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.23 2dmx n GLY 83 N 1.77 0.04 0.12 0.00 0.00 -1.24 -4.87 105.19 101.02 2dmx n GLY 83 Ca 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 2dmx n GLY 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2dmx h GLY 84 N 0.00 -0.22 0.00 -0.02 0.00 -2.04 -3.43 103.07 97.36 2dmx h GLY 84 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2dmx h GLY 84 CO 0.00 -0.08 0.00 0.61 0.00 0.00 0.00 176.54 177.07 2dmx n GLY 85 N 1.23 -2.24 3.83 4.60 0.00 -1.26 -4.89 105.19 106.47 2dmx n GLY 85 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 2dmx n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmx s ALA 86 N -2.21 3.64 -0.11 4.61 0.00 -1.26 -5.12 121.76 121.30 2dmx s ALA 86 Ca 0.00 -1.28 -0.03 0.00 0.00 0.00 0.00 51.96 50.65 2dmx s ALA 86 Cb 0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 2dmx s ALA 86 CO 0.00 0.39 -0.01 -1.54 0.00 0.00 0.00 175.76 174.60 2dmx s SER 87 N -3.47 5.11 -0.42 0.00 1.04 -1.26 -3.60 113.70 111.10 2dmx s SER 87 Ca 0.32 0.05 -0.40 0.00 0.48 0.00 0.00 55.95 56.40 2dmx s SER 87 Cb -0.09 -1.59 -0.16 0.00 0.10 0.00 0.00 66.02 64.28 2dmx s SER 87 CO 0.25 0.30 2.10 0.61 0.98 0.00 0.00 173.24 177.48 2dmx n GLY 88 N 2.69 0.20 0.00 7.32 0.00 -1.26 -4.75 105.19 109.39 2dmx n GLY 88 Ca -0.18 1.03 0.06 0.00 0.00 0.00 0.00 46.02 46.92 2dmx n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmx n PRO 89 N 7.44 0.49 -3.02 1.61 -0.04 -1.26 -4.75 135.00 135.47 2dmx n PRO 89 Ca 0.46 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.70 2dmx n PRO 89 Cb 0.08 -1.36 0.01 0.00 -0.04 0.00 0.00 33.50 32.19 2dmx n PRO 89 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dmx s SER 90 N -1.86 5.79 0.24 3.54 1.04 -1.26 -5.00 113.70 116.18 2dmx s SER 90 Ca 0.17 0.17 -0.06 0.00 0.48 0.00 0.00 55.95 56.71 2dmx s SER 90 Cb 0.08 -1.40 0.42 0.00 0.10 0.00 0.00 66.02 65.22 2dmx s SER 90 CO 0.13 -0.71 1.70 0.28 0.98 0.00 0.00 173.24 175.61 2dmx h SER 91 N 0.44 0.06 0.00 7.02 0.02 -2.03 -3.54 113.55 115.51 2dmx h SER 91 Ca -0.45 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2dmx h SER 91 Cb 1.26 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.96 2dmx h SER 91 CO 0.56 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.86