#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 0.57 0.18 1.61 0.15 -1.26 -5.06 113.70 109.89 2dmx s SER 2 Ca 0.00 -0.21 -0.25 0.00 0.70 0.00 0.00 55.95 56.19 2dmx s SER 2 Cb 0.00 -0.03 0.06 0.00 -1.71 0.00 0.00 66.02 64.34 2dmx s SER 2 CO 0.00 -0.03 1.56 -1.28 1.20 0.00 0.00 173.24 174.70 2dmx h SER 3 N 5.60 -1.53 -1.40 5.45 0.87 -2.05 -3.37 113.55 117.13 2dmx h SER 3 Ca -0.29 0.26 -0.56 0.00 -1.23 0.00 0.00 61.79 59.97 2dmx h SER 3 Cb 1.20 0.71 -0.01 0.00 -0.44 0.00 0.00 62.40 63.86 2dmx h SER 3 CO 0.48 -0.32 1.55 0.61 -0.53 0.00 0.00 176.83 178.62 2dmx n GLY 4 N -1.40 0.43 0.15 5.77 0.00 -1.26 -4.82 105.19 104.06 2dmx n GLY 4 Ca 0.03 0.82 -0.18 0.00 0.00 0.00 0.00 46.02 46.69 2dmx n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dmx h SER 5 N 15.59 0.58 -3.46 1.61 4.64 -2.00 -3.44 113.55 127.06 2dmx h SER 5 Ca -0.28 -0.78 -0.52 0.00 -0.47 0.00 0.00 61.79 59.74 2dmx h SER 5 Cb 1.28 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 2dmx h SER 5 CO 1.09 1.28 0.44 -0.94 -0.87 0.00 0.00 176.83 177.83 2dmx s SER 6 N -6.85 7.31 0.00 4.97 1.04 -1.26 -4.81 113.70 114.10 2dmx s SER 6 Ca -0.13 1.91 0.00 0.00 0.48 0.00 0.00 55.95 58.21 2dmx s SER 6 Cb 0.04 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2dmx s SER 6 CO 0.84 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.43 2dmx n GLY 7 N 2.50 0.29 3.72 7.32 0.00 -1.26 -5.11 105.19 112.65 2dmx n GLY 7 Ca 0.04 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.85 2.54 0.13 1.61 0.00 -1.26 -5.11 119.30 116.35 2dmx s MET 8 Ca 0.00 -1.29 0.06 0.00 0.00 0.00 0.00 55.69 54.46 2dmx s MET 8 Cb 0.00 -2.32 -0.04 0.00 0.00 0.00 0.00 34.83 32.47 2dmx s MET 8 CO 0.00 0.36 0.03 0.00 0.00 0.00 0.00 175.02 175.41 2dmx s ALA 9 N -2.26 3.31 -0.31 3.16 0.00 -1.26 -5.10 121.76 119.30 2dmx s ALA 9 Ca 0.32 -1.23 -0.00 0.00 0.00 0.00 0.00 51.96 51.06 2dmx s ALA 9 Cb -0.07 -1.15 0.06 0.00 0.00 0.00 0.00 23.12 21.96 2dmx s ALA 9 CO 0.22 0.59 0.00 -0.80 0.00 0.00 0.00 175.76 175.77 2dmx s ASN 10 N -2.69 4.82 0.21 0.00 0.01 -1.26 -4.80 114.94 111.22 2dmx s ASN 10 Ca 0.27 -1.46 -0.20 0.00 -0.71 0.00 0.00 52.86 50.76 2dmx s ASN 10 Cb -0.11 -1.68 0.16 0.00 0.41 0.00 0.00 41.25 40.03 2dmx s ASN 10 CO 0.19 -0.29 1.50 -1.22 -1.51 0.00 0.00 177.10 175.78 2dmx n TYR 11 N 4.54 -0.08 -0.27 2.20 4.01 -1.26 0.88 117.16 127.17 2dmx n TYR 11 Ca -0.11 1.20 0.08 0.00 -0.16 0.00 0.00 57.90 58.91 2dmx n TYR 11 Cb 0.43 -0.79 0.22 0.00 -0.31 0.00 0.00 39.34 38.89 2dmx n TYR 11 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 2dmx h TYR 12 N 0.00 0.52 0.21 -0.72 0.05 -1.94 -1.78 116.97 113.31 2dmx h TYR 12 Ca 0.29 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 59.10 2dmx h TYR 12 Cb 0.53 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.17 2dmx h TYR 12 CO -0.89 0.01 -0.10 0.93 -1.05 0.00 0.00 178.16 177.07 2dmx h GLU 13 N 0.41 -0.27 -0.86 4.88 5.08 0.21 0.60 114.58 124.63 2dmx h GLU 13 Ca 0.46 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 59.02 2dmx h GLU 13 Cb 0.77 0.06 -0.16 0.00 0.50 0.00 0.00 28.75 29.92 2dmx h GLU 13 CO -0.46 0.07 -0.14 0.28 -1.00 0.00 0.00 179.01 177.76 2dmx h VAL 14 N -0.65 0.16 -0.08 3.13 2.07 0.08 0.45 116.25 121.40 2dmx h VAL 14 Ca -0.03 -0.01 -0.17 0.00 0.82 0.00 0.00 66.70 67.31 2dmx h VAL 14 Cb 0.47 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2dmx h VAL 14 CO 0.05 0.00 -0.61 -0.07 0.02 0.00 0.00 177.57 176.96 2dmx h LEU 15 N 0.02 0.67 -0.22 2.57 3.38 -1.35 -3.47 115.31 116.90 2dmx h LEU 15 Ca 0.44 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2dmx h LEU 15 Cb 0.74 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2dmx h LEU 15 CO -0.85 1.25 0.00 0.61 0.09 0.00 0.00 178.44 179.54 2dmx n GLY 16 N 0.82 0.97 3.56 0.83 0.00 0.16 -4.97 105.19 106.56 2dmx n GLY 16 Ca -0.09 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.18 1.02 0.22 1.61 -7.23 -0.93 -5.04 120.40 107.88 2dmx s VAL 17 Ca 0.00 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 2dmx s VAL 17 Cb 0.00 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 2dmx s VAL 17 CO 0.00 0.00 0.37 -1.10 -0.31 0.00 0.00 175.10 174.06 2dmx s GLN 18 N -3.80 3.46 0.22 4.82 -0.21 -1.26 -4.67 119.66 118.21 2dmx s GLN 18 Ca 0.24 -0.61 -0.09 0.00 0.02 0.00 0.00 55.36 54.93 2dmx s GLN 18 Cb 0.05 -2.87 0.18 0.00 1.00 0.00 0.00 33.01 31.36 2dmx s GLN 18 CO 0.13 0.41 1.88 0.00 -2.12 0.00 0.00 175.29 175.59 2dmx h ALA 19 N 1.49 1.03 -0.15 6.09 0.00 -2.01 -1.06 119.26 124.64 2dmx h ALA 19 Ca -0.50 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2dmx h ALA 19 Cb 1.21 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2dmx h ALA 19 CO 0.64 0.47 0.00 -1.13 0.00 0.00 0.00 179.25 179.23 2dmx n SER 20 N -4.49 1.77 -4.76 0.00 3.41 -1.26 -4.91 113.62 103.38 2dmx n SER 20 Ca 0.08 -2.16 -0.35 0.00 -0.26 0.00 0.00 58.87 56.18 2dmx n SER 20 Cb 0.04 -0.42 0.03 0.00 -0.26 0.00 0.00 64.21 63.59 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 -1.51 2.56 0.73 7.33 0.00 -0.41 -5.01 121.76 125.45 2dmx s ALA 21 Ca 0.12 0.90 -0.11 0.00 0.00 0.00 0.00 51.96 52.88 2dmx s ALA 21 Cb 0.09 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.82 2dmx s ALA 21 CO 0.05 -1.08 1.07 -1.54 0.00 0.00 0.00 175.76 174.26 2dmx s SER 22 N -1.76 5.15 0.03 0.00 1.04 -1.26 -4.94 113.70 111.97 2dmx s SER 22 Ca 0.75 1.43 0.15 0.00 0.48 0.00 0.00 55.95 58.76 2dmx s SER 22 Cb -0.27 -2.27 0.65 0.00 0.10 0.00 0.00 66.02 64.23 2dmx s SER 22 CO 0.32 -1.57 1.49 -0.81 0.98 0.00 0.00 173.24 173.65 2dmx n PRO 23 N -3.19 0.02 0.00 4.02 -0.04 -1.26 -2.71 135.00 131.85 2dmx n PRO 23 Ca 0.07 0.28 -0.18 0.00 -0.04 0.00 0.00 63.50 63.63 2dmx n PRO 23 Cb 0.55 -1.55 -0.14 0.00 -0.04 0.00 0.00 33.50 32.32 2dmx n PRO 23 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2dmx n GLU 24 N -1.59 0.73 -0.03 0.54 0.28 -1.26 -3.55 120.64 115.75 2dmx n GLU 24 Ca 0.03 0.28 -0.11 0.00 -0.16 0.00 0.00 57.16 57.20 2dmx n GLU 24 Cb 0.17 -1.74 -0.05 0.00 1.43 0.00 0.00 31.44 31.25 2dmx n GLU 24 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2dmx h ASP 25 N 0.05 0.20 -0.94 -1.84 3.58 -1.89 0.10 116.42 115.68 2dmx h ASP 25 Ca -0.38 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 56.91 2dmx h ASP 25 Cb 2.03 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 42.99 2dmx h ASP 25 CO 0.09 0.29 0.56 0.40 -2.88 0.00 0.00 179.24 177.71 2dmx h ILE 26 N 0.09 1.26 0.44 2.25 2.04 -1.73 0.56 117.51 122.43 2dmx h ILE 26 Ca 0.05 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 2dmx h ILE 26 Cb 0.16 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 2dmx h ILE 26 CO -0.00 0.28 -0.21 0.50 0.00 0.00 0.00 178.15 178.71 2dmx h LYS 27 N 1.30 -0.58 -0.39 2.37 3.64 -1.56 -2.38 116.57 118.98 2dmx h LYS 27 Ca 0.34 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 2dmx h LYS 27 Cb -0.05 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2dmx h LYS 27 CO -0.06 -0.28 0.19 1.57 -2.27 0.00 0.00 179.45 178.60 2dmx h LYS 28 N -1.03 0.53 0.17 1.90 5.09 -0.75 -2.75 116.57 119.73 2dmx h LYS 28 Ca -0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 60.65 60.62 2dmx h LYS 28 Cb 0.56 -0.11 0.00 0.00 0.10 0.00 0.00 32.23 32.78 2dmx h LYS 28 CO 0.10 0.41 -0.08 0.00 -2.09 0.00 0.00 179.45 177.79 2dmx h ALA 29 N 1.68 -0.22 0.20 0.07 0.00 0.13 -3.02 119.26 118.09 2dmx h ALA 29 Ca 0.14 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2dmx h ALA 29 Cb 0.04 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2dmx h ALA 29 CO -0.02 -0.61 -0.25 -0.92 0.00 0.00 0.00 179.25 177.45 2dmx h TYR 30 N -0.26 -0.71 -0.69 0.00 3.20 -1.14 0.25 116.97 117.61 2dmx h TYR 30 Ca -0.02 0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.04 2dmx h TYR 30 Cb 0.20 0.28 -0.13 0.00 1.54 0.00 0.00 36.73 38.63 2dmx h TYR 30 CO -0.05 -0.32 -0.02 0.54 -1.64 0.00 0.00 178.16 176.66 2dmx n ARG 31 N -3.88 -0.06 -0.03 1.82 1.74 -1.10 0.13 116.66 115.28 2dmx n ARG 31 Ca -0.05 1.05 -0.14 0.00 -0.77 0.00 0.00 57.85 57.93 2dmx n ARG 31 Cb 0.22 -1.65 -0.10 0.00 -1.02 0.00 0.00 32.46 29.92 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 0.24 -0.01 5.56 6.56 -1.31 -3.28 116.57 124.33 2dmx h LYS 32 Ca 0.40 -0.18 0.03 0.00 -1.06 0.00 0.00 60.65 59.84 2dmx h LYS 32 Cb 0.80 0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 32.44 2dmx h LYS 32 CO -0.67 0.82 -0.34 -0.07 -2.06 0.00 0.00 179.45 177.13 2dmx h LEU 33 N -0.28 -1.03 -0.95 2.94 3.38 0.46 -0.34 115.31 119.50 2dmx h LEU 33 Ca -0.01 0.13 0.27 0.00 0.09 0.00 0.00 57.88 58.37 2dmx h LEU 33 Cb 0.84 0.41 -0.17 0.00 0.09 0.00 0.00 40.66 41.84 2dmx h LEU 33 CO 0.04 -0.40 0.13 0.00 0.09 0.00 0.00 178.44 178.31 2dmx h ALA 34 N 0.21 1.28 -0.25 1.53 0.00 -0.70 0.76 119.26 122.10 2dmx h ALA 34 Ca 0.06 0.30 -0.17 0.00 0.00 0.00 0.00 54.91 55.10 2dmx h ALA 34 Cb 0.58 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2dmx h ALA 34 CO -0.29 -0.58 -0.54 1.25 0.00 0.00 0.00 179.25 179.09 2dmx h LEU 35 N 0.06 0.83 0.44 0.00 6.46 -1.37 -2.11 115.31 119.62 2dmx h LEU 35 Ca 0.61 -0.44 -0.02 0.00 -0.12 0.00 0.00 57.88 57.90 2dmx h LEU 35 Cb 1.29 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.99 2dmx h LEU 35 CO -0.83 1.21 -0.21 -0.09 -0.62 0.00 0.00 178.44 177.89 2dmx h ARG 36 N 0.58 -0.57 -0.51 1.25 2.43 0.21 -2.30 114.38 115.46 2dmx h ARG 36 Ca 0.02 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2dmx h ARG 36 Cb 1.12 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2dmx h ARG 36 CO 0.11 -0.34 0.00 0.91 -1.51 0.00 0.00 179.97 179.14 2dmx n TRP 37 N -5.31 0.16 -1.99 2.20 7.02 0.54 -4.89 117.44 115.16 2dmx n TRP 37 Ca -0.11 -0.06 -0.41 0.00 -1.02 0.00 0.00 57.50 55.89 2dmx n TRP 37 Cb 0.27 -0.07 -0.02 0.00 -2.42 0.00 0.00 31.31 29.07 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 -1.54 2.94 0.14 -5.99 2.46 -0.79 -4.30 115.29 108.20 2dmx s HIS 38 Ca 0.05 1.14 -0.11 0.00 0.47 0.00 0.00 55.06 56.62 2dmx s HIS 38 Cb 0.03 -3.83 -0.04 0.00 -0.13 0.00 0.00 32.58 28.61 2dmx s HIS 38 CO 0.03 -2.55 1.47 -1.00 -2.47 0.00 0.00 174.74 170.22 2dmx h PRO 39 N 4.22 0.94 -0.62 2.88 0.13 -1.84 -2.86 132.00 134.85 2dmx h PRO 39 Ca -0.48 -0.49 -0.03 0.00 -0.87 0.00 0.00 66.00 64.13 2dmx h PRO 39 Cb 1.22 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 2dmx h PRO 39 CO 0.72 1.15 0.27 0.22 -0.23 0.00 0.00 178.00 180.13 2dmx h ASP 40 N 0.76 0.81 1.21 1.44 1.82 -1.92 -1.58 116.42 118.96 2dmx h ASP 40 Ca 0.06 -0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.59 2dmx h ASP 40 Cb 0.98 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 40.78 2dmx h ASP 40 CO 0.09 0.71 -0.07 0.11 -1.61 0.00 0.00 179.24 178.47 2dmx h LYS 41 N 0.88 0.00 -4.39 0.28 1.79 -1.86 -3.39 116.57 109.88 2dmx h LYS 41 Ca 0.21 0.00 -0.72 0.00 -2.18 0.00 0.00 60.65 57.97 2dmx h LYS 41 Cb 0.13 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 30.49 2dmx h LYS 41 CO -0.02 0.07 -0.45 -0.80 -1.08 0.00 0.00 179.45 177.17 2dmx s ASN 42 N -5.95 5.60 -0.02 0.86 0.01 -0.59 -4.96 114.94 109.88 2dmx s ASN 42 Ca 0.02 -1.77 -0.25 0.00 -0.71 0.00 0.00 52.86 50.16 2dmx s ASN 42 Cb 0.08 -1.97 -0.19 0.00 0.41 0.00 0.00 41.25 39.58 2dmx s ASN 42 CO 0.60 -0.61 1.21 1.55 -1.51 0.00 0.00 177.10 178.34 2dmx h PRO 43 N 8.37 -0.09 -0.77 -0.60 0.13 -1.77 -3.33 132.00 133.94 2dmx h PRO 43 Ca -0.21 0.01 0.07 0.00 -0.87 0.00 0.00 66.00 65.00 2dmx h PRO 43 Cb 1.07 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.13 2dmx h PRO 43 CO 0.79 0.37 -0.49 -0.44 -0.23 0.00 0.00 178.00 178.00 2dmx h ASP 44 N -0.58 -1.80 -3.20 1.44 3.32 -1.93 -3.38 116.42 110.30 2dmx h ASP 44 Ca -0.01 0.27 -0.53 0.00 0.02 0.00 0.00 57.03 56.78 2dmx h ASP 44 Cb 0.49 0.79 -0.36 0.00 0.22 0.00 0.00 39.33 40.47 2dmx h ASP 44 CO 0.01 -0.21 -0.81 0.54 -1.72 0.00 0.00 179.24 177.05 2dmx s ASN 45 N -5.05 2.19 -0.23 6.45 4.22 -1.25 -5.02 114.94 116.24 2dmx s ASN 45 Ca -0.10 -0.32 -0.19 0.00 -2.14 0.00 0.00 52.86 50.10 2dmx s ASN 45 Cb 0.09 -0.88 -0.16 0.00 1.28 0.00 0.00 41.25 41.58 2dmx s ASN 45 CO 0.52 -0.09 0.02 0.29 -2.04 0.00 0.00 177.10 175.80 2dmx n LYS 46 N 4.79 0.57 0.38 3.55 4.01 -1.25 -4.13 118.16 126.09 2dmx n LYS 46 Ca -0.14 0.47 -0.17 0.00 -0.51 0.00 0.00 58.31 57.96 2dmx n LYS 46 Cb 0.50 -1.66 -0.08 0.00 -0.51 0.00 0.00 35.03 33.28 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 -1.00 -0.96 1.97 4.22 -1.92 -0.98 114.58 114.91 2dmx h GLU 47 Ca -0.46 0.07 0.32 0.00 0.08 0.00 0.00 59.36 59.37 2dmx h GLU 47 Cb 1.39 0.23 -0.18 0.00 0.50 0.00 0.00 28.75 30.69 2dmx h GLU 47 CO -0.28 -0.67 0.21 -1.91 -2.18 0.00 0.00 179.01 174.18 2dmx n GLU 48 N -5.00 -0.07 -0.04 1.92 2.13 -1.26 0.67 120.64 118.98 2dmx n GLU 48 Ca -0.13 1.39 -0.12 0.00 0.66 0.00 0.00 57.16 58.96 2dmx n GLU 48 Cb 0.43 -2.32 -0.07 0.00 0.27 0.00 0.00 31.44 29.75 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 1.92 0.16 -0.67 4.31 0.00 -1.64 -3.23 119.26 120.09 2dmx h ALA 49 Ca 0.67 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 55.41 2dmx h ALA 49 Cb 1.56 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.21 2dmx h ALA 49 CO -0.84 -0.09 -0.57 0.93 0.00 0.00 0.00 179.25 178.68 2dmx h GLU 50 N -0.11 -0.21 -0.66 0.00 5.08 0.16 -0.54 114.58 118.30 2dmx h GLU 50 Ca 0.03 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.51 2dmx h GLU 50 Cb 0.47 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.65 2dmx h GLU 50 CO 0.01 -0.14 -0.38 -0.22 -1.00 0.00 0.00 179.01 177.28 2dmx h LYS 51 N -0.22 -0.15 -0.99 2.33 1.63 -1.51 0.36 116.57 118.02 2dmx h LYS 51 Ca 0.12 0.01 0.23 0.00 -0.85 0.00 0.00 60.65 60.16 2dmx h LYS 51 Cb 0.52 0.03 -0.12 0.00 -0.60 0.00 0.00 32.23 32.06 2dmx h LYS 51 CO -0.75 -0.10 0.57 0.87 -3.45 0.00 0.00 179.45 176.59 2dmx h LYS 52 N -0.15 0.57 -0.07 1.90 1.79 -1.15 -0.51 116.57 118.96 2dmx h LYS 52 Ca 0.23 -0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.70 2dmx h LYS 52 Cb 0.56 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 31.04 2dmx h LYS 52 CO -0.74 0.38 -0.14 0.35 -1.08 0.00 0.00 179.45 178.22 2dmx h PHE 53 N 0.59 -0.37 -0.70 -1.35 3.04 0.49 -0.96 116.94 117.69 2dmx h PHE 53 Ca 0.62 0.02 0.11 0.00 3.98 0.00 0.00 57.97 62.69 2dmx h PHE 53 Cb 1.14 0.17 -0.08 0.00 2.56 0.00 0.00 35.95 39.74 2dmx h PHE 53 CO -0.02 -0.21 0.32 -0.22 -2.02 0.00 0.00 178.31 176.15 2dmx h LYS 54 N -0.21 0.51 0.65 1.11 1.63 -0.79 -0.91 116.57 118.57 2dmx h LYS 54 Ca 0.07 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.81 2dmx h LYS 54 Cb 0.31 -0.12 0.01 0.00 -0.60 0.00 0.00 32.23 31.83 2dmx h LYS 54 CO -0.19 0.34 -0.31 -0.07 -3.45 0.00 0.00 179.45 175.77 2dmx h LEU 55 N 0.53 -0.74 -0.70 5.20 3.38 -1.02 0.17 115.31 122.14 2dmx h LEU 55 Ca 0.36 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.49 2dmx h LEU 55 Cb 0.43 0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.28 2dmx h LEU 55 CO -0.31 -0.53 0.20 0.58 0.09 0.00 0.00 178.44 178.47 2dmx h VAL 56 N -0.88 0.60 -0.10 1.22 2.07 -0.79 0.22 116.25 118.59 2dmx h VAL 56 Ca -0.09 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 2dmx h VAL 56 Cb 0.67 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2dmx h VAL 56 CO 0.15 0.06 0.01 0.77 0.02 0.00 0.00 177.57 178.58 2dmx h SER 57 N 0.32 0.15 0.79 0.57 4.64 -0.99 0.72 113.55 119.75 2dmx h SER 57 Ca 0.38 -0.27 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 2dmx h SER 57 Cb 0.60 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2dmx h SER 57 CO -0.44 0.39 -0.48 -0.08 -0.87 0.00 0.00 176.83 175.34 2dmx h GLU 58 N -0.08 -1.15 -0.59 4.77 4.57 0.26 -2.94 114.58 119.42 2dmx h GLU 58 Ca 0.03 0.08 0.06 0.00 -1.18 0.00 0.00 59.36 58.35 2dmx h GLU 58 Cb 0.30 0.26 -0.05 0.00 -0.16 0.00 0.00 28.75 29.10 2dmx h GLU 58 CO 0.00 -0.76 0.30 0.00 -1.18 0.00 0.00 179.01 177.36 2dmx h ALA 59 N -1.20 0.78 -0.99 2.92 0.00 -0.67 -1.76 119.26 118.34 2dmx h ALA 59 Ca -0.11 0.03 0.34 0.00 0.00 0.00 0.00 54.91 55.18 2dmx h ALA 59 Cb 0.95 -0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.52 2dmx h ALA 59 CO 0.11 -0.06 0.49 -0.92 0.00 0.00 0.00 179.25 178.87 2dmx h TYR 60 N 0.55 0.77 0.09 0.00 3.20 -0.70 0.13 116.97 121.02 2dmx h TYR 60 Ca 0.27 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 62.05 2dmx h TYR 60 Cb 0.21 -0.18 0.02 0.00 1.54 0.00 0.00 36.73 38.32 2dmx h TYR 60 CO -0.11 -0.30 -0.57 0.93 -1.64 0.00 0.00 178.16 176.48 2dmx h GLU 61 N 0.19 0.22 -0.99 1.82 5.08 -1.18 -1.67 114.58 118.05 2dmx h GLU 61 Ca 0.74 -0.36 0.36 0.00 -1.00 0.00 0.00 59.36 59.10 2dmx h GLU 61 Cb 1.77 0.13 -0.16 0.00 0.50 0.00 0.00 28.75 30.99 2dmx h GLU 61 CO -0.69 1.16 0.49 0.28 -1.00 0.00 0.00 179.01 179.25 2dmx h VAL 62 N -0.52 0.15 0.11 3.13 2.07 -0.07 0.22 116.25 121.33 2dmx h VAL 62 Ca -0.10 -0.05 -0.34 0.00 0.82 0.00 0.00 66.70 67.03 2dmx h VAL 62 Cb 1.43 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2dmx h VAL 62 CO 0.11 0.03 -1.84 -0.07 0.02 0.00 0.00 177.57 175.81 2dmx h LEU 63 N 0.15 0.36 -0.75 2.57 3.38 -1.46 0.56 115.31 120.12 2dmx h LEU 63 Ca 0.76 -0.88 0.15 0.00 0.09 0.00 0.00 57.88 58.01 2dmx h LEU 63 Cb 1.86 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 42.39 2dmx h LEU 63 CO -0.71 1.79 0.26 -1.28 0.09 0.00 0.00 178.44 178.59 2dmx h SER 64 N -0.12 0.18 -3.38 -0.43 0.87 -0.02 -3.41 113.55 107.25 2dmx h SER 64 Ca -0.40 0.12 -0.43 0.00 -1.23 0.00 0.00 61.79 59.85 2dmx h SER 64 Cb 1.91 0.13 0.20 0.00 -0.44 0.00 0.00 62.40 64.19 2dmx h SER 64 CO 0.04 0.04 0.04 -0.62 -0.53 0.00 0.00 176.83 175.81 2dmx s ASP 65 N -5.29 1.09 -0.22 6.23 2.15 0.59 -4.99 116.67 116.23 2dmx s ASP 65 Ca -0.12 1.29 -0.13 0.00 0.43 0.00 0.00 52.55 54.01 2dmx s ASP 65 Cb 0.21 -1.99 -0.18 0.00 -0.30 0.00 0.00 42.92 40.66 2dmx s ASP 65 CO 0.76 -4.10 0.02 -0.24 -0.17 0.00 0.00 175.17 171.44 2dmx n SER 66 N -4.83 1.96 -0.03 -0.34 2.88 -1.26 -3.84 113.62 108.16 2dmx n SER 66 Ca 0.04 0.28 -0.11 0.00 -1.33 0.00 0.00 58.87 57.75 2dmx n SER 66 Cb 0.56 -0.83 -0.10 0.00 -0.75 0.00 0.00 64.21 63.10 2dmx n SER 66 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2dmx h LYS 67 N -0.64 -0.05 -0.74 -1.46 2.10 -1.94 -2.82 116.57 111.02 2dmx h LYS 67 Ca -0.50 0.00 0.14 0.00 -2.00 0.00 0.00 60.65 58.30 2dmx h LYS 67 Cb 1.63 0.01 -0.10 0.00 -0.90 0.00 0.00 32.23 32.87 2dmx h LYS 67 CO -0.19 0.60 0.27 0.87 -2.00 0.00 0.00 179.45 179.00 2dmx h LYS 68 N -0.88 0.39 0.66 0.07 1.57 -1.81 0.21 116.57 116.78 2dmx h LYS 68 Ca -0.01 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2dmx h LYS 68 Cb 0.68 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.90 2dmx h LYS 68 CO 0.01 0.26 -0.32 -0.09 -0.57 0.00 0.00 179.45 178.74 2dmx h ARG 69 N 0.40 -0.86 -0.58 3.15 2.43 0.04 -2.23 114.38 116.74 2dmx h ARG 69 Ca 0.41 0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.76 2dmx h ARG 69 Cb 0.63 0.19 -0.10 0.00 -0.42 0.00 0.00 29.97 30.28 2dmx h ARG 69 CO -0.42 -0.57 -0.04 0.77 -1.51 0.00 0.00 179.97 178.20 2dmx h SER 70 N -0.97 -0.34 -0.98 -3.80 0.02 -1.21 0.22 113.55 106.49 2dmx h SER 70 Ca -0.09 0.15 0.16 0.00 -0.84 0.00 0.00 61.79 61.17 2dmx h SER 70 Cb 0.68 0.28 -0.10 0.00 0.14 0.00 0.00 62.40 63.41 2dmx h SER 70 CO 0.15 -0.13 0.59 -0.07 -1.14 0.00 0.00 176.83 176.23 2dmx h LEU 71 N 0.08 0.78 -0.04 5.07 3.38 -0.58 0.31 115.31 124.30 2dmx h LEU 71 Ca 0.29 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.26 2dmx h LEU 71 Cb 0.47 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2dmx h LEU 71 CO -0.52 0.33 -0.30 0.22 0.09 0.00 0.00 178.44 178.25 2dmx h TYR 72 N 0.80 0.39 0.33 1.13 3.20 -0.21 -2.68 116.97 119.94 2dmx h TYR 72 Ca 0.54 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 62.22 2dmx h TYR 72 Cb 0.74 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 2dmx h TYR 72 CO -0.02 0.93 -0.23 0.22 -1.64 0.00 0.00 178.16 177.42 2dmx h ASP 73 N -0.27 -0.60 -0.65 -2.11 1.82 0.13 0.32 116.42 115.06 2dmx h ASP 73 Ca -0.03 0.04 0.09 0.00 -0.39 0.00 0.00 57.03 56.75 2dmx h ASP 73 Cb 0.98 0.19 -0.07 0.00 0.68 0.00 0.00 39.33 41.11 2dmx h ASP 73 CO 0.06 -0.36 0.29 0.08 -1.61 0.00 0.00 179.24 177.70 2dmx h ARG 74 N -0.56 0.50 0.33 0.28 0.11 -0.53 -3.11 114.38 111.40 2dmx h ARG 74 Ca -0.03 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 60.00 2dmx h ARG 74 Cb 0.48 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.45 2dmx h ARG 74 CO 0.01 0.33 -0.16 0.00 0.10 0.00 0.00 179.97 180.25 2dmx h ALA 75 N 1.41 -0.81 0.00 0.08 0.00 -1.18 -3.48 119.26 115.27 2dmx h ALA 75 Ca 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2dmx h ALA 75 Cb 0.36 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2dmx h ALA 75 CO -0.28 -0.78 0.00 0.41 0.00 0.00 0.00 179.25 178.61 2dmx n GLY 76 N -0.32 2.11 3.86 0.00 0.00 0.11 -5.00 105.19 105.94 2dmx n GLY 76 Ca -0.06 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.51 4.87 0.01 0.00 1.47 -1.26 -5.14 116.67 115.10 2dmx s ASP 78 Ca 0.29 -0.38 -0.08 0.00 1.18 0.00 0.00 52.55 53.56 2dmx s ASP 78 Cb -0.15 -1.06 0.00 0.00 -0.34 0.00 0.00 42.92 41.37 2dmx s ASP 78 CO 0.16 0.08 0.15 -0.55 0.68 0.00 0.00 175.17 175.69 2dmx s SER 79 N -3.05 0.03 -0.20 2.11 0.15 -1.26 -4.91 113.70 106.57 2dmx s SER 79 Ca 0.28 -0.25 0.01 0.00 0.70 0.00 0.00 55.95 56.69 2dmx s SER 79 Cb -0.09 0.23 0.05 0.00 -1.71 0.00 0.00 66.02 64.49 2dmx s SER 79 CO 0.19 -0.42 -0.09 0.26 1.20 0.00 0.00 173.24 174.39 2dmx s TRP 80 N -1.69 2.28 0.15 3.44 0.52 -1.26 -5.03 118.94 117.36 2dmx s TRP 80 Ca -0.12 -1.53 -0.28 0.00 0.02 0.00 0.00 56.10 54.19 2dmx s TRP 80 Cb -0.06 -1.57 -0.02 0.00 -1.15 0.00 0.00 33.47 30.67 2dmx s TRP 80 CO 0.00 -0.73 1.57 0.00 0.02 0.00 0.00 176.95 177.82 2dmx h ARG 81 N 8.00 -0.31 -4.90 4.98 3.08 -2.05 -3.40 114.38 119.77 2dmx h ARG 81 Ca -0.25 0.02 -0.53 0.00 0.07 0.00 0.00 59.98 59.29 2dmx h ARG 81 Cb 1.10 0.07 -0.32 0.00 0.08 0.00 0.00 29.97 30.90 2dmx h ARG 81 CO 0.45 -0.21 -0.82 0.00 -1.07 0.00 0.00 179.97 178.32 2dmx s ALA 82 N -5.81 1.35 0.12 0.04 0.00 -1.26 -5.05 121.76 111.14 2dmx s ALA 82 Ca -0.15 -0.54 -0.23 0.00 0.00 0.00 0.00 51.96 51.05 2dmx s ALA 82 Cb 0.11 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 2dmx s ALA 82 CO 0.65 0.19 1.33 0.41 0.00 0.00 0.00 175.76 178.34 2dmx n GLY 83 N 3.44 -2.54 0.00 0.00 0.00 -1.26 -4.93 105.19 99.90 2dmx n GLY 83 Ca -0.20 0.99 0.00 0.00 0.00 0.00 0.00 46.02 46.81 2dmx n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmx n GLY 84 N -1.18 -0.90 0.00 -0.02 0.00 -1.26 -5.12 105.19 96.71 2dmx n GLY 84 Ca 0.01 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2dmx n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmx n GLY 85 N 0.00 3.45 0.38 -0.02 0.00 -1.26 -5.00 105.19 102.74 2dmx n GLY 85 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2dmx n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmx n ALA 86 N -0.96 -0.05 -2.58 4.61 0.00 -1.26 -4.20 120.51 116.08 2dmx n ALA 86 Ca 0.00 1.01 -0.40 0.00 0.00 0.00 0.00 53.44 54.04 2dmx n ALA 86 Cb 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 19.45 18.92 2dmx n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dmx s SER 87 N -5.34 7.20 -0.06 0.00 0.01 -1.26 -5.02 113.70 109.23 2dmx s SER 87 Ca -0.14 1.44 -0.32 0.00 1.31 0.00 0.00 55.95 58.25 2dmx s SER 87 Cb 0.22 -2.49 0.13 0.00 0.21 0.00 0.00 66.02 64.09 2dmx s SER 87 CO 0.72 -0.11 1.28 -0.83 0.41 0.00 0.00 173.24 174.71 2dmx s GLY 88 N 0.52 -0.39 -0.61 3.44 0.00 -1.26 -5.10 107.32 103.93 2dmx s GLY 88 Ca 0.42 0.92 -0.27 0.00 0.00 0.00 0.00 44.72 45.80 2dmx s GLY 88 CO 0.23 0.22 1.86 2.56 0.00 0.00 0.00 173.10 177.98 2dmx s PRO 89 N -2.41 2.63 -0.06 2.90 0.04 -1.26 -4.85 135.00 131.98 2dmx s PRO 89 Ca 0.13 0.62 -0.22 0.00 0.04 0.00 0.00 61.00 61.56 2dmx s PRO 89 Cb 0.04 -4.39 -0.18 0.00 0.04 0.00 0.00 34.50 30.01 2dmx s PRO 89 CO -0.04 -2.73 0.90 0.66 0.04 0.00 0.00 177.00 175.82 2dmx h SER 90 N 14.96 -0.12 -2.91 6.66 4.64 -1.99 -3.44 113.55 131.35 2dmx h SER 90 Ca -0.26 -0.46 -0.52 0.00 -0.47 0.00 0.00 61.79 60.07 2dmx h SER 90 Cb 1.16 0.03 0.05 0.00 -0.31 0.00 0.00 62.40 63.33 2dmx h SER 90 CO 1.22 0.49 0.87 -0.44 -0.87 0.00 0.00 176.83 178.10 2dmx s SER 91 N -5.63 6.57 0.00 4.97 0.01 -1.26 -5.25 113.70 113.10 2dmx s SER 91 Ca -0.14 2.66 0.00 0.00 1.31 0.00 0.00 55.95 59.78 2dmx s SER 91 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2dmx s SER 91 CO 0.53 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.96