#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmx h SER 2 N 0.00 0.00 -3.25 1.61 0.87 -2.13 -3.43 113.55 107.22 2dmx h SER 2 Ca 0.00 -0.74 -0.74 0.00 -1.23 0.00 0.00 61.79 59.08 2dmx h SER 2 Cb 0.00 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 61.71 2dmx h SER 2 CO 0.00 1.24 -0.32 -0.44 -0.53 0.00 0.00 176.83 176.77 2dmx s SER 3 N -6.53 6.00 -0.25 6.23 0.01 -1.26 -5.01 113.70 112.89 2dmx s SER 3 Ca -0.24 -1.62 -0.02 0.00 1.31 0.00 0.00 55.95 55.39 2dmx s SER 3 Cb 0.01 -2.13 0.14 0.00 0.21 0.00 0.00 66.02 64.25 2dmx s SER 3 CO 0.63 -0.71 0.39 -0.83 0.41 0.00 0.00 173.24 173.13 2dmx s GLY 4 N 2.88 -0.46 -0.01 3.44 0.00 -1.26 -5.12 107.32 106.78 2dmx s GLY 4 Ca 0.04 0.82 -0.30 0.00 0.00 0.00 0.00 44.72 45.28 2dmx s GLY 4 CO 0.03 2.75 1.70 -1.35 0.00 0.00 0.00 173.10 176.24 2dmx s SER 5 N 2.56 6.62 0.04 1.64 1.04 -1.26 -4.95 113.70 119.40 2dmx s SER 5 Ca 0.13 2.35 -0.31 0.00 0.48 0.00 0.00 55.95 58.60 2dmx s SER 5 Cb -0.15 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.37 2dmx s SER 5 CO -0.19 -0.93 1.32 -0.94 0.98 0.00 0.00 173.24 173.48 2dmx s SER 6 N 3.32 6.93 0.00 7.02 1.04 -1.26 -4.92 113.70 125.83 2dmx s SER 6 Ca 0.76 2.11 0.00 0.00 0.48 0.00 0.00 55.95 59.30 2dmx s SER 6 Cb -0.36 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.19 2dmx s SER 6 CO 0.32 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2dmx n GLY 7 N 3.45 3.11 3.80 7.32 0.00 -1.26 -5.13 105.19 116.49 2dmx n GLY 7 Ca 0.11 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 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 2.03 4.34 0.46 1.61 0.00 -1.26 -5.04 119.30 121.44 2dmx s MET 8 Ca 0.00 0.94 -0.13 0.00 0.00 0.00 0.00 55.69 56.50 2dmx s MET 8 Cb 0.00 -3.00 -0.07 0.00 0.00 0.00 0.00 34.83 31.76 2dmx s MET 8 CO 0.00 0.46 0.87 0.00 0.00 0.00 0.00 175.02 176.35 2dmx s ALA 9 N -1.40 3.21 -0.24 3.16 0.00 -1.26 -5.06 121.76 120.18 2dmx s ALA 9 Ca 0.40 -0.02 -0.05 0.00 0.00 0.00 0.00 51.96 52.29 2dmx s ALA 9 Cb -0.19 -2.90 -0.01 0.00 0.00 0.00 0.00 23.12 20.03 2dmx s ALA 9 CO 0.22 -0.13 -0.01 -0.80 0.00 0.00 0.00 175.76 175.04 2dmx s ASN 10 N -3.14 4.56 0.14 0.00 0.01 -1.26 -5.01 114.94 110.22 2dmx s ASN 10 Ca 0.55 -0.45 -0.31 0.00 -0.71 0.00 0.00 52.86 51.93 2dmx s ASN 10 Cb -0.10 -1.78 -0.08 0.00 0.41 0.00 0.00 41.25 39.70 2dmx s ASN 10 CO 0.32 -0.06 1.56 1.88 -1.51 0.00 0.00 177.10 179.29 2dmx h TYR 11 N 8.14 -1.56 -0.73 2.20 0.05 -1.97 0.20 116.97 123.30 2dmx h TYR 11 Ca -0.39 0.08 0.13 0.00 0.05 0.00 0.00 58.73 58.60 2dmx h TYR 11 Cb 1.15 0.73 -0.14 0.00 1.01 0.00 0.00 36.73 39.49 2dmx h TYR 11 CO 0.60 -0.49 -0.30 1.88 -1.05 0.00 0.00 178.16 178.81 2dmx h TYR 12 N -0.41 -0.77 0.22 4.88 0.05 -1.94 -0.50 116.97 118.50 2dmx h TYR 12 Ca 0.08 0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 2dmx h TYR 12 Cb 0.61 0.45 0.00 0.00 1.01 0.00 0.00 36.73 38.80 2dmx h TYR 12 CO -0.67 -0.37 -0.11 0.93 -1.05 0.00 0.00 178.16 176.89 2dmx h GLU 13 N -0.08 -0.29 -0.85 4.88 3.07 -1.50 0.31 114.58 120.13 2dmx h GLU 13 Ca 0.31 0.02 0.18 0.00 -0.50 0.00 0.00 59.36 59.37 2dmx h GLU 13 Cb 0.57 0.07 -0.16 0.00 -0.84 0.00 0.00 28.75 28.38 2dmx h GLU 13 CO -0.78 -0.17 -0.15 0.28 -1.40 0.00 0.00 179.01 176.78 2dmx h VAL 14 N -0.32 0.17 -0.01 3.13 2.07 0.90 0.27 116.25 122.46 2dmx h VAL 14 Ca -0.03 -0.01 -0.23 0.00 0.82 0.00 0.00 66.70 67.26 2dmx h VAL 14 Cb 0.25 0.15 0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2dmx h VAL 14 CO 0.05 0.00 -0.88 -0.07 0.02 0.00 0.00 177.57 176.69 2dmx h LEU 15 N 0.02 0.79 -0.19 2.57 3.38 -1.09 -3.48 115.31 117.31 2dmx h LEU 15 Ca 0.43 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2dmx h LEU 15 Cb 0.70 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2dmx h LEU 15 CO -0.85 1.43 0.00 0.61 0.09 0.00 0.00 178.44 179.72 2dmx n GLY 16 N 1.06 0.92 3.27 0.83 0.00 0.11 -4.94 105.19 106.43 2dmx n GLY 16 Ca -0.11 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.03 1.33 0.53 1.61 -7.23 -0.97 -5.03 120.40 108.61 2dmx s VAL 17 Ca 0.00 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.07 2dmx s VAL 17 Cb 0.00 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 35.08 2dmx s VAL 17 CO 0.00 -0.63 0.90 -1.10 -0.31 0.00 0.00 175.10 173.96 2dmx s GLN 18 N -3.46 3.64 0.36 4.82 1.11 -1.26 -4.59 119.66 120.28 2dmx s GLN 18 Ca 0.16 0.53 0.09 0.00 0.01 0.00 0.00 55.36 56.14 2dmx s GLN 18 Cb -0.00 -2.24 0.81 0.00 -1.01 0.00 0.00 33.01 30.57 2dmx s GLN 18 CO 0.03 -0.33 1.88 0.00 0.01 0.00 0.00 175.29 176.88 2dmx h ALA 19 N 0.23 1.82 -0.49 6.09 0.00 -2.01 0.24 119.26 125.14 2dmx h ALA 19 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2dmx h ALA 19 Cb 1.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2dmx h ALA 19 CO 0.62 -0.04 0.00 0.45 0.00 0.00 0.00 179.25 180.28 2dmx n SER 20 N -4.54 4.38 -4.64 0.00 2.88 -1.26 -4.98 113.62 105.45 2dmx n SER 20 Ca 0.16 -2.57 -0.35 0.00 -1.33 0.00 0.00 58.87 54.79 2dmx n SER 20 Cb 0.44 -0.59 0.10 0.00 -0.75 0.00 0.00 64.21 63.41 2dmx n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dmx n ALA 21 N 0.66 -0.16 -1.39 -1.46 0.00 0.85 -4.96 120.51 114.05 2dmx n ALA 21 Ca 0.21 -0.25 -0.32 0.00 0.00 0.00 0.00 53.44 53.09 2dmx n ALA 21 Cb 0.88 -2.17 0.07 0.00 0.00 0.00 0.00 19.45 18.23 2dmx n ALA 21 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2dmx s SER 22 N -1.82 4.81 0.33 0.00 1.04 -1.26 -4.93 113.70 111.87 2dmx s SER 22 Ca 0.73 1.92 0.26 0.00 0.48 0.00 0.00 55.95 59.35 2dmx s SER 22 Cb -0.32 -2.54 1.09 0.00 0.10 0.00 0.00 66.02 64.35 2dmx s SER 22 CO 0.50 -1.83 1.78 1.55 0.98 0.00 0.00 173.24 176.22 2dmx h PRO 23 N -0.52 0.00 0.00 4.02 0.13 -2.01 -2.79 132.00 130.82 2dmx h PRO 23 Ca -0.45 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.47 2dmx h PRO 23 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 2dmx h PRO 23 CO 0.53 0.00 -1.85 -1.91 -0.23 0.00 0.00 178.00 174.54 2dmx n GLU 24 N -2.45 0.65 -0.19 0.86 4.07 -1.26 -4.01 120.64 118.31 2dmx n GLU 24 Ca 0.02 0.07 -0.06 0.00 -0.06 0.00 0.00 57.16 57.12 2dmx n GLU 24 Cb 0.24 -1.66 0.09 0.00 -0.06 0.00 0.00 31.44 30.05 2dmx n GLU 24 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 2dmx h ASP 25 N 0.00 0.96 0.46 4.31 3.58 -1.87 0.24 116.42 124.11 2dmx h ASP 25 Ca -0.26 -0.22 -0.11 0.00 0.42 0.00 0.00 57.03 56.85 2dmx h ASP 25 Cb 1.70 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 42.48 2dmx h ASP 25 CO 0.03 0.97 -0.51 0.40 -2.88 0.00 0.00 179.24 177.25 2dmx h ILE 26 N 0.94 1.36 0.04 2.25 2.04 -1.73 -1.65 117.51 120.76 2dmx h ILE 26 Ca 0.19 -1.75 -0.00 0.00 1.00 0.00 0.00 64.86 64.29 2dmx h ILE 26 Cb 0.43 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 2dmx h ILE 26 CO 0.01 0.51 -0.02 0.11 0.00 0.00 0.00 178.15 178.76 2dmx h LYS 27 N 0.04 -0.05 -0.70 2.37 1.79 -1.61 -2.94 116.57 115.48 2dmx h LYS 27 Ca -0.00 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.50 2dmx h LYS 27 Cb 0.92 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.54 2dmx h LYS 27 CO 0.07 0.60 0.46 1.57 -1.08 0.00 0.00 179.45 181.07 2dmx h LYS 28 N -0.92 0.82 0.03 3.15 5.09 -1.00 -2.56 116.57 121.18 2dmx h LYS 28 Ca -0.01 -0.05 -0.00 0.00 0.09 0.00 0.00 60.65 60.68 2dmx h LYS 28 Cb 0.67 -0.19 0.00 0.00 0.10 0.00 0.00 32.23 32.81 2dmx h LYS 28 CO 0.01 0.55 -0.01 0.00 -2.09 0.00 0.00 179.45 177.90 2dmx h ALA 29 N 1.59 -0.04 -0.08 0.07 0.00 -1.39 -3.12 119.26 116.29 2dmx h ALA 29 Ca 0.28 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.14 2dmx h ALA 29 Cb 0.05 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 2dmx h ALA 29 CO -0.08 -0.44 -0.33 -0.92 0.00 0.00 0.00 179.25 177.48 2dmx h TYR 30 N -0.19 -0.92 -0.80 0.00 3.20 -1.27 0.25 116.97 117.23 2dmx h TYR 30 Ca -0.00 0.04 0.07 0.00 3.14 0.00 0.00 58.73 61.98 2dmx h TYR 30 Cb 0.18 0.42 -0.10 0.00 1.54 0.00 0.00 36.73 38.77 2dmx h TYR 30 CO -0.02 -0.41 -0.51 0.00 -1.64 0.00 0.00 178.16 175.57 2dmx h ARG 31 N -0.44 -0.05 0.49 1.82 3.08 -1.47 0.29 114.38 118.10 2dmx h ARG 31 Ca 0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 2dmx h ARG 31 Cb 0.56 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.63 2dmx h ARG 31 CO -0.33 -0.03 -0.23 0.87 -1.07 0.00 0.00 179.97 179.18 2dmx h LYS 32 N -0.05 -0.63 -0.52 0.04 6.56 -1.42 -3.23 116.57 117.32 2dmx h LYS 32 Ca 0.13 0.04 0.05 0.00 -1.06 0.00 0.00 60.65 59.81 2dmx h LYS 32 Cb 0.38 0.14 -0.07 0.00 -0.57 0.00 0.00 32.23 32.11 2dmx h LYS 32 CO -0.78 -0.37 -0.39 -0.07 -2.06 0.00 0.00 179.45 175.77 2dmx h LEU 33 N -0.75 -1.40 -0.81 2.94 3.38 0.39 0.37 115.31 119.43 2dmx h LEU 33 Ca -0.07 0.20 0.29 0.00 0.09 0.00 0.00 57.88 58.39 2dmx h LEU 33 Cb 0.55 0.60 -0.15 0.00 0.09 0.00 0.00 40.66 41.75 2dmx h LEU 33 CO 0.11 -0.20 0.25 0.00 0.09 0.00 0.00 178.44 178.68 2dmx n ALA 34 N -3.09 0.64 0.10 1.53 0.00 0.93 0.23 120.51 120.86 2dmx n ALA 34 Ca -0.00 0.84 -0.16 0.00 0.00 0.00 0.00 53.44 54.12 2dmx n ALA 34 Cb 0.20 -0.74 -0.13 0.00 0.00 0.00 0.00 19.45 18.78 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 0.44 0.03 0.00 3.38 -0.51 -2.77 115.31 115.89 2dmx h LEU 35 Ca 0.60 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2dmx h LEU 35 Cb 1.45 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2dmx h LEU 35 CO -0.68 1.36 -0.02 -0.09 0.09 0.00 0.00 178.44 179.10 2dmx h ARG 36 N 0.08 -0.05 -0.58 1.13 1.12 0.66 -2.49 114.38 114.26 2dmx h ARG 36 Ca -0.13 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.74 2dmx h ARG 36 Cb 1.96 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.93 2dmx h ARG 36 CO 0.20 0.12 0.00 0.91 -3.11 0.00 0.00 179.97 178.09 2dmx n TRP 37 N -5.04 0.60 -2.20 2.20 7.02 0.93 -4.87 117.44 116.08 2dmx n TRP 37 Ca -0.08 -0.23 -0.40 0.00 -1.02 0.00 0.00 57.50 55.77 2dmx n TRP 37 Cb 0.11 -0.14 -0.02 0.00 -2.42 0.00 0.00 31.31 28.84 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 -1.65 3.15 0.07 -5.99 2.46 -0.94 -3.89 115.29 108.51 2dmx s HIS 38 Ca 0.20 1.48 -0.17 0.00 0.47 0.00 0.00 55.06 57.03 2dmx s HIS 38 Cb 0.13 -3.58 -0.11 0.00 -0.13 0.00 0.00 32.58 28.88 2dmx s HIS 38 CO 0.09 -1.57 1.39 -1.00 -2.47 0.00 0.00 174.74 171.18 2dmx h PRO 39 N 3.41 0.55 -0.19 2.88 0.13 -1.84 -2.79 132.00 134.15 2dmx h PRO 39 Ca -0.48 -0.28 -0.04 0.00 -0.87 0.00 0.00 66.00 64.32 2dmx h PRO 39 Cb 1.22 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2dmx h PRO 39 CO 0.65 0.87 -0.06 -0.44 -0.23 0.00 0.00 178.00 178.80 2dmx h ASP 40 N 0.24 0.26 1.45 1.44 3.32 -1.93 -1.52 116.42 119.69 2dmx h ASP 40 Ca 0.04 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2dmx h ASP 40 Cb 0.76 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 2dmx h ASP 40 CO 0.05 0.36 -0.05 0.11 -1.72 0.00 0.00 179.24 178.00 2dmx h LYS 41 N 0.28 0.00 -4.41 3.56 1.79 -1.84 -3.40 116.57 112.54 2dmx h LYS 41 Ca 0.06 0.00 -0.71 0.00 -2.18 0.00 0.00 60.65 57.82 2dmx h LYS 41 Cb 0.28 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 30.63 2dmx h LYS 41 CO 0.01 0.05 -0.47 -0.80 -1.08 0.00 0.00 179.45 177.16 2dmx s ASN 42 N -6.00 5.54 -0.02 0.86 0.01 -0.57 -4.96 114.94 109.79 2dmx s ASN 42 Ca 0.04 -1.78 -0.25 0.00 -0.71 0.00 0.00 52.86 50.15 2dmx s ASN 42 Cb 0.07 -1.95 -0.20 0.00 0.41 0.00 0.00 41.25 39.59 2dmx s ASN 42 CO 0.62 -0.59 1.23 1.55 -1.51 0.00 0.00 177.10 178.39 2dmx h PRO 43 N 8.32 -0.06 -0.06 -0.60 0.13 -1.78 -3.27 132.00 134.68 2dmx h PRO 43 Ca -0.20 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.97 2dmx h PRO 43 Cb 1.07 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.15 2dmx h PRO 43 CO 0.77 0.41 -0.50 -0.44 -0.23 0.00 0.00 178.00 178.02 2dmx h ASP 44 N -0.55 -1.55 -3.41 1.44 5.19 -1.93 -3.39 116.42 112.23 2dmx h ASP 44 Ca -0.01 0.18 -0.61 0.00 -0.62 0.00 0.00 57.03 55.98 2dmx h ASP 44 Cb 0.49 0.60 -0.37 0.00 0.18 0.00 0.00 39.33 40.24 2dmx h ASP 44 CO 0.01 -0.49 -0.81 0.54 -3.12 0.00 0.00 179.24 175.38 2dmx s ASN 45 N -4.81 3.30 -0.15 6.45 4.22 -1.25 -5.01 114.94 117.69 2dmx s ASN 45 Ca -0.16 -0.85 -0.11 0.00 -2.14 0.00 0.00 52.86 49.60 2dmx s ASN 45 Cb 0.08 -1.18 -0.04 0.00 1.28 0.00 0.00 41.25 41.39 2dmx s ASN 45 CO 0.62 -0.15 -0.21 0.29 -2.04 0.00 0.00 177.10 175.61 2dmx n LYS 46 N 4.72 0.47 0.10 3.55 4.01 -1.23 -4.08 118.16 125.69 2dmx n LYS 46 Ca -0.14 0.46 -0.15 0.00 -0.51 0.00 0.00 58.31 57.97 2dmx n LYS 46 Cb 0.47 -1.64 -0.09 0.00 -0.51 0.00 0.00 35.03 33.26 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 -0.66 -0.94 1.97 4.81 -1.91 -0.37 114.58 116.48 2dmx h GLU 47 Ca -0.01 0.04 0.14 0.00 -0.13 0.00 0.00 59.36 59.40 2dmx h GLU 47 Cb 0.63 0.15 -0.15 0.00 0.63 0.00 0.00 28.75 30.02 2dmx h GLU 47 CO -0.01 -0.44 -0.39 -1.91 -0.73 0.00 0.00 179.01 175.54 2dmx n GLU 48 N -5.19 -0.24 -0.11 1.92 2.13 -1.26 0.36 120.64 118.24 2dmx n GLU 48 Ca -0.08 1.45 -0.08 0.00 0.66 0.00 0.00 57.16 59.12 2dmx n GLU 48 Cb 0.37 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 29.94 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 1.21 0.46 -0.57 4.31 0.00 -1.58 -2.79 119.26 120.31 2dmx h ALA 49 Ca 0.31 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.33 2dmx h ALA 49 Cb 0.55 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.12 2dmx h ALA 49 CO -0.93 -0.13 -0.19 1.49 0.00 0.00 0.00 179.25 179.49 2dmx h GLU 50 N 0.44 -0.05 -0.36 0.00 4.81 0.16 -1.91 114.58 117.68 2dmx h GLU 50 Ca 0.15 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 2dmx h GLU 50 Cb 0.01 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.32 2dmx h GLU 50 CO -0.07 -0.03 -0.53 -0.22 -0.73 0.00 0.00 179.01 177.43 2dmx h LYS 51 N -0.05 -0.39 -0.94 1.92 1.63 -1.00 0.59 116.57 118.34 2dmx h LYS 51 Ca 0.27 0.03 0.22 0.00 -0.85 0.00 0.00 60.65 60.31 2dmx h LYS 51 Cb 0.46 0.09 -0.12 0.00 -0.60 0.00 0.00 32.23 32.06 2dmx h LYS 51 CO -0.61 -0.26 0.50 0.87 -3.45 0.00 0.00 179.45 176.50 2dmx h LYS 52 N -0.41 0.51 -0.76 1.90 1.79 -1.37 -1.01 116.57 117.23 2dmx h LYS 52 Ca 0.06 -0.03 0.14 0.00 -2.18 0.00 0.00 60.65 58.64 2dmx h LYS 52 Cb 0.58 -0.12 -0.14 0.00 -1.58 0.00 0.00 32.23 30.97 2dmx h LYS 52 CO -0.55 0.34 -0.28 0.35 -1.08 0.00 0.00 179.45 178.23 2dmx h PHE 53 N 0.53 -0.70 -0.69 -1.35 3.57 -0.26 0.31 116.94 118.34 2dmx h PHE 53 Ca 0.58 0.08 0.08 0.00 3.53 0.00 0.00 57.97 62.25 2dmx h PHE 53 Cb 1.07 0.42 -0.07 0.00 2.79 0.00 0.00 35.95 40.16 2dmx h PHE 53 CO -0.07 -0.37 0.34 -0.22 -2.23 0.00 0.00 178.31 175.77 2dmx h LYS 54 N -0.06 0.58 -0.09 1.11 3.64 -1.07 -0.80 116.57 119.88 2dmx h LYS 54 Ca 0.33 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.69 2dmx h LYS 54 Cb 0.58 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 2dmx h LYS 54 CO -0.80 0.39 -0.02 -0.07 -2.27 0.00 0.00 179.45 176.68 2dmx h LEU 55 N 0.60 -0.07 -0.60 5.20 -0.00 -0.44 0.21 115.31 120.21 2dmx h LEU 55 Ca 0.33 0.02 0.03 0.00 -0.00 0.00 0.00 57.88 58.26 2dmx h LEU 55 Cb 0.32 0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 41.00 2dmx h LEU 55 CO -0.25 -0.02 0.37 0.58 -0.00 0.00 0.00 178.44 179.12 2dmx h VAL 56 N 0.01 1.07 -0.16 1.22 2.07 -0.58 0.40 116.25 120.27 2dmx h VAL 56 Ca 0.04 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2dmx h VAL 56 Cb 0.06 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2dmx h VAL 56 CO -0.09 0.13 0.03 -1.28 0.02 0.00 0.00 177.57 176.39 2dmx h SER 57 N 0.73 0.26 0.62 0.57 0.87 -0.81 0.65 113.55 116.43 2dmx h SER 57 Ca 0.24 -0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 2dmx h SER 57 Cb 0.02 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2dmx h SER 57 CO -0.10 0.44 -0.30 -0.08 -0.53 0.00 0.00 176.83 176.26 2dmx h GLU 58 N 0.06 -0.80 -0.55 2.24 4.57 -0.31 -2.93 114.58 116.85 2dmx h GLU 58 Ca 0.05 0.05 0.11 0.00 -1.18 0.00 0.00 59.36 58.39 2dmx h GLU 58 Cb 0.30 0.18 -0.08 0.00 -0.16 0.00 0.00 28.75 28.98 2dmx h GLU 58 CO 0.00 -0.54 0.06 0.00 -1.18 0.00 0.00 179.01 177.36 2dmx h ALA 59 N -1.40 0.59 -1.03 2.92 0.00 -0.30 0.10 119.26 120.14 2dmx h ALA 59 Ca -0.09 0.14 0.26 0.00 0.00 0.00 0.00 54.91 55.22 2dmx h ALA 59 Cb 0.64 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 18.54 2dmx h ALA 59 CO 0.14 -0.35 0.63 -0.92 0.00 0.00 0.00 179.25 178.75 2dmx h TYR 60 N 0.18 0.87 0.01 0.00 3.20 -0.90 -0.32 116.97 120.01 2dmx h TYR 60 Ca 0.28 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.07 2dmx h TYR 60 Cb 0.42 -0.25 0.01 0.00 1.54 0.00 0.00 36.73 38.45 2dmx h TYR 60 CO -0.28 0.05 -0.44 0.93 -1.64 0.00 0.00 178.16 176.78 2dmx h GLU 61 N 0.50 0.29 -1.03 1.82 5.08 -0.83 0.12 114.58 120.53 2dmx h GLU 61 Ca 0.63 -0.32 0.28 0.00 -1.00 0.00 0.00 59.36 58.95 2dmx h GLU 61 Cb 1.37 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 30.59 2dmx h GLU 61 CO -0.41 1.02 0.62 0.28 -1.00 0.00 0.00 179.01 179.53 2dmx h VAL 62 N -0.32 0.47 0.04 3.13 2.07 0.17 -0.45 116.25 121.35 2dmx h VAL 62 Ca -0.06 -0.16 -0.30 0.00 0.82 0.00 0.00 66.70 67.01 2dmx h VAL 62 Cb 1.18 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2dmx h VAL 62 CO 0.09 0.08 -1.64 0.18 0.02 0.00 0.00 177.57 176.30 2dmx n LEU 63 N -4.85 2.14 -0.30 2.57 4.77 -0.77 0.11 117.00 120.67 2dmx n LEU 63 Ca 0.28 0.33 0.14 0.00 -0.03 0.00 0.00 56.01 56.73 2dmx n LEU 63 Cb 0.86 -1.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.25 2dmx n LEU 63 CO 0.17 0.50 0.92 -1.28 -1.33 0.00 0.00 177.39 176.37 2dmx h SER 64 N -0.64 -0.08 -4.18 -1.43 0.87 -0.17 -3.40 113.55 104.52 2dmx h SER 64 Ca -0.41 0.21 -0.48 0.00 -1.23 0.00 0.00 61.79 59.88 2dmx h SER 64 Cb 1.58 0.31 0.13 0.00 -0.44 0.00 0.00 62.40 63.97 2dmx h SER 64 CO -0.13 -0.21 0.29 -1.81 -0.53 0.00 0.00 176.83 174.44 2dmx s ASP 65 N -5.05 3.91 -0.18 6.23 1.11 -0.23 -5.00 116.67 117.47 2dmx s ASP 65 Ca -0.12 1.36 -0.09 0.00 0.18 0.00 0.00 52.55 53.89 2dmx s ASP 65 Cb 0.27 -2.06 -0.21 0.00 1.07 0.00 0.00 42.92 41.98 2dmx s ASP 65 CO 0.77 -2.34 0.13 -1.54 1.18 0.00 0.00 175.17 173.37 2dmx n SER 66 N -3.68 2.03 0.02 0.27 3.41 -1.26 -3.29 113.62 111.11 2dmx n SER 66 Ca 0.07 0.19 -0.13 0.00 -0.26 0.00 0.00 58.87 58.74 2dmx n SER 66 Cb 0.56 -0.78 -0.01 0.00 -0.26 0.00 0.00 64.21 63.72 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 -0.27 0.56 -0.06 4.33 5.09 -1.94 -1.48 116.57 122.81 2dmx h LYS 67 Ca -0.47 -0.46 -0.02 0.00 0.09 0.00 0.00 60.65 59.78 2dmx h LYS 67 Cb 1.82 0.10 -0.00 0.00 0.10 0.00 0.00 32.23 34.24 2dmx h LYS 67 CO -0.06 1.09 -0.05 0.87 -2.09 0.00 0.00 179.45 179.21 2dmx h LYS 68 N 0.38 0.13 -0.53 0.07 1.57 -1.76 0.15 116.57 116.59 2dmx h LYS 68 Ca -0.04 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 2dmx h LYS 68 Cb 1.35 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.64 2dmx h LYS 68 CO 0.14 0.57 0.14 -0.09 -0.57 0.00 0.00 179.45 179.64 2dmx h ARG 69 N -0.30 0.83 0.04 3.15 2.43 0.80 -1.75 114.38 119.59 2dmx h ARG 69 Ca 0.01 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2dmx h ARG 69 Cb 0.54 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2dmx h ARG 69 CO 0.01 0.79 -0.02 0.77 -1.51 0.00 0.00 179.97 180.01 2dmx h SER 70 N 0.73 -0.04 -0.44 -3.80 0.02 -1.30 -1.83 113.55 106.89 2dmx h SER 70 Ca 0.17 -0.29 0.08 0.00 -0.84 0.00 0.00 61.79 60.90 2dmx h SER 70 Cb 0.32 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.80 2dmx h SER 70 CO -0.00 0.27 0.06 -0.07 -1.14 0.00 0.00 176.83 175.95 2dmx h LEU 71 N -0.36 -0.05 -1.05 5.07 3.38 -0.92 0.11 115.31 121.49 2dmx h LEU 71 Ca -0.01 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2dmx h LEU 71 Cb 0.33 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2dmx h LEU 71 CO 0.01 0.01 0.45 0.22 0.09 0.00 0.00 178.44 179.21 2dmx h TYR 72 N 0.19 1.09 0.58 1.13 3.20 -1.29 -1.22 116.97 120.64 2dmx h TYR 72 Ca 0.22 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 2dmx h TYR 72 Cb 0.29 -0.35 0.01 0.00 1.54 0.00 0.00 36.73 38.22 2dmx h TYR 72 CO -0.23 0.75 -0.28 0.22 -1.64 0.00 0.00 178.16 176.98 2dmx h ASP 73 N 1.12 -0.66 -1.01 -2.11 3.58 -0.35 -1.08 116.42 115.92 2dmx h ASP 73 Ca 0.29 0.02 0.23 0.00 0.42 0.00 0.00 57.03 57.98 2dmx h ASP 73 Cb 0.01 0.17 -0.11 0.00 1.72 0.00 0.00 39.33 41.12 2dmx h ASP 73 CO -0.05 -0.34 0.61 0.08 -2.88 0.00 0.00 179.24 176.67 2dmx h ARG 74 N -1.05 0.60 0.35 0.28 0.11 -0.80 -1.62 114.38 112.24 2dmx h ARG 74 Ca -0.08 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 59.95 2dmx h ARG 74 Cb 0.60 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.55 2dmx h ARG 74 CO 0.13 0.39 -0.17 0.00 0.10 0.00 0.00 179.97 180.43 2dmx h ALA 75 N 1.68 -0.47 0.00 0.08 0.00 -1.20 -3.50 119.26 115.85 2dmx h ALA 75 Ca 0.61 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2dmx h ALA 75 Cb 1.15 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2dmx h ALA 75 CO -0.40 -0.63 0.00 0.41 0.00 0.00 0.00 179.25 178.63 2dmx n GLY 76 N -0.53 -0.97 3.30 0.00 0.00 -0.41 -5.03 105.19 101.54 2dmx n GLY 76 Ca -0.10 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 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 0.05 -0.19 -0.26 0.00 1.11 -1.26 -5.10 116.67 111.02 2dmx s ASP 78 Ca -0.01 0.10 -0.28 0.00 0.18 0.00 0.00 52.55 52.54 2dmx s ASP 78 Cb -0.03 0.32 -0.05 0.00 1.07 0.00 0.00 42.92 44.23 2dmx s ASP 78 CO 0.01 -0.43 2.25 -0.55 1.18 0.00 0.00 175.17 177.63 2dmx s SER 79 N -1.26 5.29 -0.05 0.27 0.15 -1.26 -4.93 113.70 111.91 2dmx s SER 79 Ca -0.13 1.76 -0.02 0.00 0.70 0.00 0.00 55.95 58.27 2dmx s SER 79 Cb -0.05 -2.51 0.03 0.00 -1.71 0.00 0.00 66.02 61.78 2dmx s SER 79 CO 0.04 -2.11 0.04 0.26 1.20 0.00 0.00 173.24 172.67 2dmx s TRP 80 N 8.92 0.28 -0.13 3.44 0.52 -1.26 -5.05 118.94 125.66 2dmx s TRP 80 Ca 1.00 0.10 -0.10 0.00 0.02 0.00 0.00 56.10 57.11 2dmx s TRP 80 Cb -0.30 -0.58 -0.08 0.00 -1.15 0.00 0.00 33.47 31.36 2dmx s TRP 80 CO 0.34 -0.23 0.17 0.00 0.02 0.00 0.00 176.95 177.25 2dmx h ARG 81 N 8.29 0.00 -0.65 4.98 3.08 -1.92 -3.36 114.38 124.80 2dmx h ARG 81 Ca -0.18 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.01 2dmx h ARG 81 Cb 1.12 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.06 2dmx h ARG 81 CO 0.22 0.32 -0.04 0.00 -1.07 0.00 0.00 179.97 179.40 2dmx h ALA 82 N -0.72 0.59 -3.00 0.04 0.00 -2.02 -3.30 119.26 110.84 2dmx h ALA 82 Ca -0.03 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2dmx h ALA 82 Cb 0.43 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2dmx h ALA 82 CO -0.02 -0.41 0.00 0.41 0.00 0.00 0.00 179.25 179.23 2dmx n GLY 83 N -1.39 -0.80 0.00 0.00 0.00 -1.26 -5.02 105.19 96.71 2dmx n GLY 83 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 4.73 0.00 -0.02 0.00 -1.25 -5.06 105.19 103.60 2dmx n GLY 84 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 3.27 0.36 -0.02 0.00 -1.26 -4.70 105.19 102.83 2dmx n GLY 85 Ca 0.00 -0.66 0.05 0.00 0.00 0.00 0.00 46.02 45.40 2dmx n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmx h ALA 86 N 0.00 0.57 -6.39 4.61 0.00 -1.97 -3.45 119.26 112.63 2dmx h ALA 86 Ca 0.00 0.36 -0.49 0.00 0.00 0.00 0.00 54.91 54.78 2dmx h ALA 86 Cb 0.00 0.78 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 2dmx h ALA 86 CO 0.00 -0.42 -0.77 -1.13 0.00 0.00 0.00 179.25 176.93 2dmx n SER 87 N -5.60 -4.58 -3.35 0.00 3.41 -1.26 -4.93 113.62 97.32 2dmx n SER 87 Ca 0.15 -0.82 -0.23 0.00 -0.26 0.00 0.00 58.87 57.71 2dmx n SER 87 Cb 0.48 -3.67 -0.09 0.00 -0.26 0.00 0.00 64.21 60.67 2dmx n SER 87 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dmx s GLY 88 N -3.30 0.52 0.77 5.00 0.00 -1.26 -5.14 107.32 103.91 2dmx s GLY 88 Ca 0.69 -1.67 -0.11 0.00 0.00 0.00 0.00 44.72 43.63 2dmx s GLY 88 CO 0.85 2.43 1.09 2.56 0.00 0.00 0.00 173.10 180.03 2dmx s PRO 89 N 0.82 2.29 -0.16 2.90 0.04 -1.26 -5.01 135.00 134.61 2dmx s PRO 89 Ca 0.24 1.19 -0.18 0.00 0.04 0.00 0.00 61.00 62.28 2dmx s PRO 89 Cb -0.10 -1.90 -0.15 0.00 0.04 0.00 0.00 34.50 32.39 2dmx s PRO 89 CO -0.07 -1.62 0.24 0.77 0.04 0.00 0.00 177.00 176.36 2dmx h SER 90 N -1.05 0.00 -0.80 6.66 0.02 -2.05 -3.36 113.55 112.96 2dmx h SER 90 Ca -0.44 -0.46 0.18 0.00 -0.84 0.00 0.00 61.79 60.24 2dmx h SER 90 Cb 1.23 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.63 2dmx h SER 90 CO 0.51 1.09 -0.03 0.77 -1.14 0.00 0.00 176.83 178.03 2dmx h SER 91 N -1.00 -0.45 0.00 3.07 4.64 -2.08 -3.57 113.55 114.16 2dmx h SER 91 Ca -0.14 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2dmx h SER 91 Cb 0.89 0.40 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2dmx h SER 91 CO -0.09 -0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.26