#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 -1.09 -4.19 1.61 4.64 -2.03 -3.42 113.55 109.07 2dmx h SER 2 Ca 0.00 0.16 -0.52 0.00 -0.47 0.00 0.00 61.79 60.96 2dmx h SER 2 Cb 0.00 0.47 0.14 0.00 -0.31 0.00 0.00 62.40 62.69 2dmx h SER 2 CO 0.00 -0.37 0.38 -0.44 -0.87 0.00 0.00 176.83 175.53 2dmx s SER 3 N -4.95 4.54 0.01 4.97 0.01 -1.26 -4.67 113.70 112.36 2dmx s SER 3 Ca -0.15 2.21 0.00 0.00 1.31 0.00 0.00 55.95 59.32 2dmx s SER 3 Cb 0.11 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2dmx s SER 3 CO 0.66 -2.02 0.00 0.61 0.41 0.00 0.00 173.24 172.89 2dmx n GLY 4 N 0.02 -4.97 3.69 3.44 0.00 -1.26 -5.07 105.19 101.04 2dmx n GLY 4 Ca 0.12 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 2dmx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmx s SER 5 N -0.42 4.22 0.31 1.61 0.01 -1.26 -4.87 113.70 113.29 2dmx s SER 5 Ca 0.00 -1.16 0.06 0.00 1.31 0.00 0.00 55.95 56.16 2dmx s SER 5 Cb 0.00 -0.46 0.85 0.00 0.21 0.00 0.00 66.02 66.62 2dmx s SER 5 CO 0.00 -0.48 1.63 0.77 0.41 0.00 0.00 173.24 175.57 2dmx h SER 6 N 1.58 0.02 0.00 2.44 4.64 -1.99 -3.45 113.55 116.79 2dmx h SER 6 Ca -0.43 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2dmx h SER 6 Cb 1.25 0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 2dmx h SER 6 CO 0.73 -0.23 0.00 0.61 -0.87 0.00 0.00 176.83 177.08 2dmx n GLY 7 N -1.37 3.67 3.34 -0.77 0.00 -1.26 -4.87 105.19 103.92 2dmx n GLY 7 Ca 0.25 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 2dmx n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dmx s MET 8 N 0.00 1.29 0.10 1.61 -2.45 -1.26 -5.10 119.30 113.49 2dmx s MET 8 Ca 0.00 -1.47 0.04 0.00 -1.25 0.00 0.00 55.69 53.01 2dmx s MET 8 Cb 0.00 -1.26 -0.04 0.00 1.25 0.00 0.00 34.83 34.78 2dmx s MET 8 CO 0.00 0.24 0.08 0.00 1.05 0.00 0.00 175.02 176.39 2dmx s ALA 9 N -2.34 3.52 0.01 4.11 0.00 -1.26 -5.12 121.76 120.68 2dmx s ALA 9 Ca 0.18 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 51.12 2dmx s ALA 9 Cb -0.04 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 2dmx s ALA 9 CO 0.07 0.70 -0.11 1.21 0.00 0.00 0.00 175.76 177.62 2dmx s ASN 10 N -2.50 4.28 0.30 0.00 2.47 -1.26 -5.02 114.94 113.20 2dmx s ASN 10 Ca 0.29 -0.25 0.05 0.00 0.42 0.00 0.00 52.86 53.37 2dmx s ASN 10 Cb -0.12 -0.89 0.47 0.00 -1.45 0.00 0.00 41.25 39.26 2dmx s ASN 10 CO 0.22 0.28 1.73 1.88 -3.72 0.00 0.00 177.10 177.49 2dmx h TYR 11 N 4.61 0.40 -0.04 0.43 0.05 -1.99 0.67 116.97 121.09 2dmx h TYR 11 Ca -0.48 -0.09 -0.21 0.00 0.05 0.00 0.00 58.73 58.01 2dmx h TYR 11 Cb 1.16 -0.10 0.01 0.00 1.01 0.00 0.00 36.73 38.82 2dmx h TYR 11 CO 0.55 0.63 -0.78 1.88 -1.05 0.00 0.00 178.16 179.39 2dmx h TYR 12 N 0.31 0.86 -0.02 4.88 0.05 -1.95 -2.95 116.97 118.15 2dmx h TYR 12 Ca 0.04 -0.44 -0.01 0.00 0.05 0.00 0.00 58.73 58.37 2dmx h TYR 12 Cb 0.70 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 38.33 2dmx h TYR 12 CO 0.02 1.26 -0.02 0.93 -1.05 0.00 0.00 178.16 179.29 2dmx h GLU 13 N 0.22 0.06 -0.64 4.88 5.08 -1.73 0.29 114.58 122.73 2dmx h GLU 13 Ca -0.09 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.37 2dmx h GLU 13 Cb 1.45 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.61 2dmx h GLU 13 CO 0.16 0.54 0.16 -0.24 -1.00 0.00 0.00 179.01 178.63 2dmx h VAL 14 N -0.43 0.62 -0.01 3.13 3.04 -0.97 0.43 116.25 122.07 2dmx h VAL 14 Ca 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 2dmx h VAL 14 Cb 0.54 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.13 2dmx h VAL 14 CO 0.01 0.05 -0.00 0.18 -1.01 0.00 0.00 177.57 176.80 2dmx n LEU 15 N -5.11 0.55 -3.80 3.16 4.77 -1.11 -4.92 117.00 110.54 2dmx n LEU 15 Ca 0.10 -0.18 -0.27 0.00 -0.03 0.00 0.00 56.01 55.64 2dmx n LEU 15 Cb 0.35 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.47 2dmx n LEU 15 CO 0.17 0.09 0.09 0.61 -1.33 0.00 0.00 177.39 177.01 2dmx n GLY 16 N 1.07 -0.45 3.12 -0.72 0.00 0.15 -4.91 105.19 103.45 2dmx n GLY 16 Ca 0.22 0.18 -0.16 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.40 0.82 0.50 1.61 -7.23 0.92 -5.01 120.40 108.60 2dmx s VAL 17 Ca 0.47 -1.20 -0.04 0.00 -1.81 0.00 0.00 61.98 59.40 2dmx s VAL 17 Cb -0.23 -0.84 -0.02 0.00 0.56 0.00 0.00 36.38 35.85 2dmx s VAL 17 CO 0.81 -0.31 0.77 -1.10 -0.31 0.00 0.00 175.10 174.96 2dmx s GLN 18 N -1.68 3.25 0.23 4.82 1.11 -1.26 -4.35 119.66 121.78 2dmx s GLN 18 Ca -0.06 -0.06 -0.07 0.00 0.01 0.00 0.00 55.36 55.18 2dmx s GLN 18 Cb -0.10 -2.41 0.25 0.00 -1.01 0.00 0.00 33.01 29.74 2dmx s GLN 18 CO 0.01 -0.34 1.89 0.00 0.01 0.00 0.00 175.29 176.87 2dmx h ALA 19 N 0.19 1.15 0.00 6.09 0.00 -2.01 0.20 119.26 124.87 2dmx h ALA 19 Ca -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2dmx h ALA 19 Cb 1.23 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2dmx h ALA 19 CO 0.60 0.46 0.00 -1.13 0.00 0.00 0.00 179.25 179.19 2dmx n SER 20 N -4.50 0.00 -4.75 0.00 3.41 -1.26 -4.80 113.62 101.71 2dmx n SER 20 Ca 0.10 -0.29 -0.38 0.00 -0.26 0.00 0.00 58.87 58.05 2dmx n SER 20 Cb 0.06 -0.11 0.04 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.23 2.76 0.61 7.33 0.00 0.06 -5.00 121.76 125.29 2dmx s ALA 21 Ca 0.21 1.23 -0.11 0.00 0.00 0.00 0.00 51.96 53.28 2dmx s ALA 21 Cb 0.11 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 2dmx s ALA 21 CO 0.21 -1.27 1.02 -1.12 0.00 0.00 0.00 175.76 174.60 2dmx s SER 22 N -1.14 6.25 0.00 0.00 0.01 -1.26 -4.94 113.70 112.62 2dmx s SER 22 Ca 0.72 1.42 0.15 0.00 1.31 0.00 0.00 55.95 59.55 2dmx s SER 22 Cb -0.37 -2.47 0.71 0.00 0.21 0.00 0.00 66.02 64.11 2dmx s SER 22 CO 0.43 -0.85 1.42 -0.81 0.41 0.00 0.00 173.24 173.84 2dmx n PRO 23 N -2.69 0.17 -0.06 12.44 -0.04 -1.26 -2.51 135.00 141.05 2dmx n PRO 23 Ca 0.06 0.17 -0.13 0.00 -0.04 0.00 0.00 63.50 63.56 2dmx n PRO 23 Cb 0.54 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 2dmx n PRO 23 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dmx n GLU 24 N -1.33 0.68 0.02 0.54 4.71 -1.26 -3.77 120.64 120.23 2dmx n GLU 24 Ca 0.06 0.17 -0.08 0.00 -0.01 0.00 0.00 57.16 57.30 2dmx n GLU 24 Cb 0.13 -1.65 0.08 0.00 -1.01 0.00 0.00 31.44 28.99 2dmx n GLU 24 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 2dmx h ASP 25 N 0.01 0.53 -0.41 1.62 3.32 -1.88 -2.26 116.42 117.35 2dmx h ASP 25 Ca -0.44 -0.28 -0.15 0.00 0.02 0.00 0.00 57.03 56.18 2dmx h ASP 25 Cb 2.08 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 41.47 2dmx h ASP 25 CO 0.04 0.97 -0.32 0.40 -1.72 0.00 0.00 179.24 178.61 2dmx h ILE 26 N 0.37 1.27 0.33 0.35 2.04 -1.72 -0.46 117.51 119.69 2dmx h ILE 26 Ca 0.01 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.36 2dmx h ILE 26 Cb 1.06 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 2dmx h ILE 26 CO 0.10 0.50 -0.16 0.50 0.00 0.00 0.00 178.15 179.09 2dmx h LYS 27 N 0.80 -0.42 -0.55 2.37 3.64 -1.64 -1.61 116.57 119.16 2dmx h LYS 27 Ca 0.08 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2dmx h LYS 27 Cb 0.91 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 2dmx h LYS 27 CO 0.08 -0.11 0.31 1.57 -2.27 0.00 0.00 179.45 179.03 2dmx h LYS 28 N -0.78 0.75 -0.54 1.90 5.09 -1.47 -2.39 116.57 119.12 2dmx h LYS 28 Ca -0.04 -0.07 -0.06 0.00 0.09 0.00 0.00 60.65 60.57 2dmx h LYS 28 Cb 0.51 -0.15 -0.02 0.00 0.10 0.00 0.00 32.23 32.66 2dmx h LYS 28 CO 0.07 0.54 0.11 0.00 -2.09 0.00 0.00 179.45 178.09 2dmx h ALA 29 N 1.58 0.72 0.50 0.07 0.00 -1.03 -3.21 119.26 117.90 2dmx h ALA 29 Ca 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2dmx h ALA 29 Cb 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2dmx h ALA 29 CO -0.03 0.44 -0.41 -0.92 0.00 0.00 0.00 179.25 178.32 2dmx h TYR 30 N 0.78 -1.12 -0.91 0.00 3.20 -0.77 0.14 116.97 118.29 2dmx h TYR 30 Ca 0.17 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.15 2dmx h TYR 30 Cb 0.37 0.42 -0.13 0.00 1.54 0.00 0.00 36.73 38.94 2dmx h TYR 30 CO 0.03 -0.59 -0.45 0.54 -1.64 0.00 0.00 178.16 176.04 2dmx n ARG 31 N -5.52 -0.31 0.22 1.82 1.74 -1.10 -0.34 116.66 113.16 2dmx n ARG 31 Ca -0.12 1.38 -0.14 0.00 -0.77 0.00 0.00 57.85 58.20 2dmx n ARG 31 Cb 0.42 -2.04 -0.08 0.00 -1.02 0.00 0.00 32.46 29.73 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 -0.54 -0.95 5.56 6.56 -1.53 -3.19 116.57 122.49 2dmx h LYS 32 Ca 0.22 0.04 0.16 0.00 -1.06 0.00 0.00 60.65 60.01 2dmx h LYS 32 Cb 0.45 0.12 -0.16 0.00 -0.57 0.00 0.00 32.23 32.07 2dmx h LYS 32 CO -0.88 -0.25 -0.34 -0.07 -2.06 0.00 0.00 179.45 175.86 2dmx h LEU 33 N -0.79 -1.23 -0.97 2.94 3.38 0.92 0.57 115.31 120.12 2dmx h LEU 33 Ca -0.06 0.30 0.32 0.00 0.09 0.00 0.00 57.88 58.53 2dmx h LEU 33 Cb 0.54 0.69 -0.17 0.00 0.09 0.00 0.00 40.66 41.80 2dmx h LEU 33 CO 0.09 -0.30 0.27 0.00 0.09 0.00 0.00 178.44 178.59 2dmx h ALA 34 N 1.53 1.57 -0.07 1.53 0.00 -0.67 1.01 119.26 124.17 2dmx h ALA 34 Ca 0.37 0.29 -0.20 0.00 0.00 0.00 0.00 54.91 55.37 2dmx h ALA 34 Cb 0.63 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2dmx h ALA 34 CO -0.96 -0.68 -0.78 -0.07 0.00 0.00 0.00 179.25 176.75 2dmx h LEU 35 N 0.06 0.55 -0.24 0.00 3.38 0.03 -2.50 115.31 116.60 2dmx h LEU 35 Ca 0.68 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 2dmx h LEU 35 Cb 1.58 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 2dmx h LEU 35 CO -0.80 1.14 0.12 -0.09 0.09 0.00 0.00 178.44 178.89 2dmx h ARG 36 N 0.30 0.34 -0.68 1.13 1.12 0.18 -2.21 114.38 114.55 2dmx h ARG 36 Ca -0.04 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.78 2dmx h ARG 36 Cb 1.38 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 31.27 2dmx h ARG 36 CO 0.14 0.34 0.00 0.91 -3.11 0.00 0.00 179.97 178.25 2dmx n TRP 37 N -4.84 0.90 -2.36 2.20 7.02 0.26 -4.87 117.44 115.76 2dmx n TRP 37 Ca -0.03 -0.33 -0.40 0.00 -1.02 0.00 0.00 57.50 55.72 2dmx n TRP 37 Cb 0.09 -0.23 -0.04 0.00 -2.42 0.00 0.00 31.31 28.72 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 -1.78 3.41 0.20 -5.99 2.46 -0.83 -3.81 115.29 108.94 2dmx s HIS 38 Ca 0.27 1.60 -0.04 0.00 0.47 0.00 0.00 55.06 57.36 2dmx s HIS 38 Cb 0.19 -3.42 0.15 0.00 -0.13 0.00 0.00 32.58 29.37 2dmx s HIS 38 CO 0.10 -0.99 1.56 -1.00 -2.47 0.00 0.00 174.74 171.94 2dmx h PRO 39 N 3.76 0.64 -0.22 2.88 0.13 -1.84 -2.75 132.00 134.59 2dmx h PRO 39 Ca -0.47 -0.34 -0.13 0.00 -0.87 0.00 0.00 66.00 64.20 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 0.67 0.94 -0.39 0.22 -0.23 0.00 0.00 178.00 179.21 2dmx h ASP 40 N 0.52 0.53 1.28 1.44 3.58 -1.92 -2.70 116.42 119.14 2dmx h ASP 40 Ca 0.04 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.25 2dmx h ASP 40 Cb 0.94 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.85 2dmx h ASP 40 CO 0.09 0.87 -0.05 0.11 -2.88 0.00 0.00 179.24 177.37 2dmx h LYS 41 N 0.41 0.00 -4.37 0.28 1.79 -1.83 -3.39 116.57 109.46 2dmx h LYS 41 Ca 0.04 0.00 -0.72 0.00 -2.18 0.00 0.00 60.65 57.79 2dmx h LYS 41 Cb 0.87 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 31.23 2dmx h LYS 41 CO 0.07 0.05 -0.43 -0.80 -1.08 0.00 0.00 179.45 177.26 2dmx s ASN 42 N -5.93 5.65 -0.02 0.86 0.01 -1.02 -4.96 114.94 109.53 2dmx s ASN 42 Ca 0.03 -1.75 -0.25 0.00 -0.71 0.00 0.00 52.86 50.17 2dmx s ASN 42 Cb 0.08 -1.99 -0.20 0.00 0.41 0.00 0.00 41.25 39.56 2dmx s ASN 42 CO 0.60 -0.62 1.23 1.55 -1.51 0.00 0.00 177.10 178.34 2dmx h PRO 43 N 8.41 -0.06 0.15 -0.60 0.13 -1.78 -3.25 132.00 135.00 2dmx h PRO 43 Ca -0.21 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.94 2dmx h PRO 43 Cb 1.08 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 2dmx h PRO 43 CO 0.81 0.41 -0.43 -0.44 -0.23 0.00 0.00 178.00 178.12 2dmx h ASP 44 N -0.55 -1.25 -3.69 1.44 3.32 -1.94 -3.39 116.42 110.38 2dmx h ASP 44 Ca -0.01 0.14 -0.64 0.00 0.02 0.00 0.00 57.03 56.54 2dmx h ASP 44 Cb 0.49 0.46 -0.37 0.00 0.22 0.00 0.00 39.33 40.13 2dmx h ASP 44 CO 0.01 -0.50 -0.80 0.54 -1.72 0.00 0.00 179.24 176.77 2dmx s ASN 45 N -4.69 4.04 -0.19 6.45 4.22 -1.25 -4.99 114.94 118.53 2dmx s ASN 45 Ca -0.16 -1.22 -0.15 0.00 -2.14 0.00 0.00 52.86 49.19 2dmx s ASN 45 Cb 0.07 -1.37 -0.10 0.00 1.28 0.00 0.00 41.25 41.13 2dmx s ASN 45 CO 0.63 -0.19 -0.11 0.29 -2.04 0.00 0.00 177.10 175.68 2dmx n LYS 46 N 4.56 0.52 0.24 3.55 5.02 -1.23 -4.12 118.16 126.71 2dmx n LYS 46 Ca -0.14 0.46 -0.14 0.00 -2.02 0.00 0.00 58.31 56.47 2dmx n LYS 46 Cb 0.44 -1.64 -0.08 0.00 -0.02 0.00 0.00 35.03 33.73 2dmx n LYS 46 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2dmx h GLU 47 N -1.00 -0.77 -0.85 1.97 4.57 -1.91 -1.20 114.58 115.39 2dmx h GLU 47 Ca -0.21 0.05 0.08 0.00 -1.18 0.00 0.00 59.36 58.11 2dmx h GLU 47 Cb 0.99 0.17 -0.11 0.00 -0.16 0.00 0.00 28.75 29.65 2dmx h GLU 47 CO -0.13 -0.51 -0.49 -1.91 -1.18 0.00 0.00 179.01 174.79 2dmx n GLU 48 N -4.76 -0.36 -0.20 1.92 2.13 -1.26 0.72 120.64 118.83 2dmx n GLU 48 Ca -0.10 1.29 -0.01 0.00 0.66 0.00 0.00 57.16 59.01 2dmx n GLU 48 Cb 0.36 -1.90 0.10 0.00 0.27 0.00 0.00 31.44 30.27 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 0.50 0.79 -0.70 4.31 0.00 -1.68 -1.85 119.26 120.63 2dmx h ALA 49 Ca 0.15 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.26 2dmx h ALA 49 Cb 0.36 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.07 2dmx h ALA 49 CO -0.81 -0.14 0.20 1.49 0.00 0.00 0.00 179.25 179.99 2dmx h GLU 50 N 0.47 0.31 0.10 0.00 4.81 0.16 -1.95 114.58 118.48 2dmx h GLU 50 Ca 0.30 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.52 2dmx h GLU 50 Cb 0.32 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.59 2dmx h GLU 50 CO -0.27 0.20 -0.52 -0.22 -0.73 0.00 0.00 179.01 177.48 2dmx h LYS 51 N 0.32 -0.71 -0.99 1.92 1.63 -0.35 -1.17 116.57 117.22 2dmx h LYS 51 Ca 0.38 0.05 0.20 0.00 -0.85 0.00 0.00 60.65 60.43 2dmx h LYS 51 Cb 0.61 0.16 -0.10 0.00 -0.60 0.00 0.00 32.23 32.30 2dmx h LYS 51 CO -0.44 -0.47 0.62 0.87 -3.45 0.00 0.00 179.45 176.57 2dmx h LYS 52 N -0.73 0.65 -0.68 1.90 1.79 -1.35 -1.44 116.57 116.70 2dmx h LYS 52 Ca 0.00 -0.04 0.13 0.00 -2.18 0.00 0.00 60.65 58.56 2dmx h LYS 52 Cb 0.75 -0.15 -0.13 0.00 -1.58 0.00 0.00 32.23 31.12 2dmx h LYS 52 CO -0.30 0.43 -0.23 0.35 -1.08 0.00 0.00 179.45 178.62 2dmx h PHE 53 N 0.66 -0.56 -0.85 -1.35 3.57 -0.48 0.52 116.94 118.46 2dmx h PHE 53 Ca 0.56 0.07 0.14 0.00 3.53 0.00 0.00 57.97 62.26 2dmx h PHE 53 Cb 1.00 0.35 -0.06 0.00 2.79 0.00 0.00 35.95 40.03 2dmx h PHE 53 CO -0.00 -0.33 0.55 -0.22 -2.23 0.00 0.00 178.31 176.08 2dmx h LYS 54 N -0.05 0.63 0.36 1.11 3.64 -1.17 -2.70 116.57 118.38 2dmx h LYS 54 Ca 0.31 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 2dmx h LYS 54 Cb 0.53 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2dmx h LYS 54 CO -0.72 0.42 -0.17 -0.07 -2.27 0.00 0.00 179.45 176.63 2dmx h LEU 55 N 0.65 -0.40 -0.80 5.20 -0.00 -0.11 -2.39 115.31 117.46 2dmx h LEU 55 Ca 0.42 -0.09 0.27 0.00 -0.00 0.00 0.00 57.88 58.48 2dmx h LEU 55 Cb 0.70 0.10 -0.15 0.00 -0.00 0.00 0.00 40.66 41.32 2dmx h LEU 55 CO -0.18 0.05 0.19 0.52 -0.00 0.00 0.00 178.44 179.02 2dmx n VAL 56 N -5.10 -0.33 0.05 1.22 0.31 0.10 0.23 118.33 114.81 2dmx n VAL 56 Ca -0.07 1.69 -0.17 0.00 -0.01 0.00 0.00 64.34 65.78 2dmx n VAL 56 Cb 0.24 -2.59 -0.07 0.00 -0.91 0.00 0.00 33.84 30.51 2dmx n VAL 56 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2dmx h SER 57 N 0.00 0.72 0.78 4.52 4.64 -1.55 -2.54 113.55 120.12 2dmx h SER 57 Ca 0.56 -0.57 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 2dmx h SER 57 Cb 1.33 -0.22 0.01 0.00 -0.31 0.00 0.00 62.40 63.21 2dmx h SER 57 CO -0.69 1.37 -0.38 -0.08 -0.87 0.00 0.00 176.83 176.18 2dmx h GLU 58 N 0.32 -1.02 -1.00 4.77 4.81 0.35 -2.50 114.58 120.31 2dmx h GLU 58 Ca -0.10 0.07 0.10 0.00 -0.13 0.00 0.00 59.36 59.30 2dmx h GLU 58 Cb 1.62 0.23 -0.08 0.00 0.63 0.00 0.00 28.75 31.16 2dmx h GLU 58 CO 0.18 -0.68 0.64 0.00 -0.73 0.00 0.00 179.01 178.42 2dmx h ALA 59 N -1.40 1.49 -0.97 2.92 0.00 -0.85 -0.48 119.26 119.97 2dmx h ALA 59 Ca -0.11 0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.91 2dmx h ALA 59 Cb 0.81 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 2dmx h ALA 59 CO 0.18 0.30 0.62 -0.92 0.00 0.00 0.00 179.25 179.43 2dmx h TYR 60 N 1.06 1.09 0.01 0.00 3.20 -1.38 -1.37 116.97 119.57 2dmx h TYR 60 Ca 0.47 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.37 2dmx h TYR 60 Cb 0.37 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.29 2dmx h TYR 60 CO -0.00 0.47 -0.01 0.93 -1.64 0.00 0.00 178.16 177.92 2dmx h GLU 61 N 0.98 -0.01 -0.98 1.82 5.08 -0.74 0.11 114.58 120.84 2dmx h GLU 61 Ca 0.46 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 59.08 2dmx h GLU 61 Cb 0.42 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.54 2dmx h GLU 61 CO -0.22 0.78 0.53 0.28 -1.00 0.00 0.00 179.01 179.39 2dmx h VAL 62 N -0.88 0.44 0.07 3.13 2.07 -0.85 -1.22 116.25 119.00 2dmx h VAL 62 Ca -0.00 -0.15 -0.23 0.00 0.82 0.00 0.00 66.70 67.13 2dmx h VAL 62 Cb 0.81 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2dmx h VAL 62 CO 0.00 0.08 -1.22 -0.07 0.02 0.00 0.00 177.57 176.39 2dmx h LEU 63 N 0.45 0.23 -1.09 2.57 3.38 -1.34 0.33 115.31 119.84 2dmx h LEU 63 Ca 0.65 -0.78 0.37 0.00 0.09 0.00 0.00 57.88 58.21 2dmx h LEU 63 Cb 1.33 -0.07 -0.15 0.00 0.09 0.00 0.00 40.66 41.85 2dmx h LEU 63 CO -0.53 1.52 0.62 -1.28 0.09 0.00 0.00 178.44 178.85 2dmx h SER 64 N -0.57 0.41 -4.36 -0.43 0.87 0.05 -3.40 113.55 106.11 2dmx h SER 64 Ca -0.28 0.20 -0.49 0.00 -1.23 0.00 0.00 61.79 59.98 2dmx h SER 64 Cb 1.55 0.17 0.07 0.00 -0.44 0.00 0.00 62.40 63.75 2dmx h SER 64 CO -0.02 -0.22 0.39 -1.81 -0.53 0.00 0.00 176.83 174.63 2dmx s ASP 65 N -4.73 5.64 -0.17 6.23 1.11 -0.54 -5.02 116.67 119.19 2dmx s ASP 65 Ca -0.09 1.15 -0.06 0.00 0.18 0.00 0.00 52.55 53.73 2dmx s ASP 65 Cb 0.31 -2.03 -0.23 0.00 1.07 0.00 0.00 42.92 42.05 2dmx s ASP 65 CO 0.79 -1.20 0.18 -0.24 1.18 0.00 0.00 175.17 175.87 2dmx n SER 66 N -2.90 2.06 -0.03 0.27 2.88 -1.26 -3.17 113.62 111.47 2dmx n SER 66 Ca 0.06 0.14 -0.12 0.00 -1.33 0.00 0.00 58.87 57.63 2dmx n SER 66 Cb 0.57 -0.76 -0.07 0.00 -0.75 0.00 0.00 64.21 63.20 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 -0.07 0.17 0.26 -1.46 2.10 -1.94 -1.10 116.57 114.53 2dmx h LYS 67 Ca -0.47 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.11 2dmx h LYS 67 Cb 1.93 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.24 2dmx h LYS 67 CO -0.00 0.43 -0.13 0.87 -2.00 0.00 0.00 179.45 178.63 2dmx h LYS 68 N -0.11 -0.34 -0.20 0.07 1.57 -1.77 -1.18 116.57 114.61 2dmx h LYS 68 Ca 0.03 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 2dmx h LYS 68 Cb 0.36 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.68 2dmx h LYS 68 CO 0.01 -0.04 -0.23 -0.09 -0.57 0.00 0.00 179.45 178.53 2dmx h ARG 69 N -0.65 -0.24 0.27 3.15 2.43 -0.29 0.08 114.38 119.13 2dmx h ARG 69 Ca -0.04 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2dmx h ARG 69 Cb 0.46 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 2dmx h ARG 69 CO 0.06 -0.16 -0.25 1.03 -1.51 0.00 0.00 179.97 179.14 2dmx h SER 70 N -0.25 -0.66 -0.99 -3.80 0.87 -1.23 -2.32 113.55 105.18 2dmx h SER 70 Ca 0.12 0.06 0.19 0.00 -1.23 0.00 0.00 61.79 60.94 2dmx h SER 70 Cb 0.44 0.22 -0.11 0.00 -0.44 0.00 0.00 62.40 62.51 2dmx h SER 70 CO -0.35 -0.37 0.59 -0.07 -0.53 0.00 0.00 176.83 176.10 2dmx h LEU 71 N -0.54 0.73 -0.24 2.23 3.38 -0.84 -0.90 115.31 119.13 2dmx h LEU 71 Ca -0.01 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.12 2dmx h LEU 71 Cb 0.49 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 2dmx h LEU 71 CO -0.04 0.24 -0.12 0.22 0.09 0.00 0.00 178.44 178.83 2dmx h TYR 72 N 0.72 -0.28 -0.28 1.13 3.20 -0.42 0.50 116.97 121.53 2dmx h TYR 72 Ca 0.58 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.47 2dmx h TYR 72 Cb 0.92 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 2dmx h TYR 72 CO -0.02 -0.18 0.17 0.22 -1.64 0.00 0.00 178.16 176.71 2dmx h ASP 73 N -0.09 0.35 0.43 -2.11 1.82 -0.99 -2.49 116.42 113.33 2dmx h ASP 73 Ca 0.13 -0.07 -0.01 0.00 -0.39 0.00 0.00 57.03 56.69 2dmx h ASP 73 Cb 0.28 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.18 2dmx h ASP 73 CO -0.29 0.31 -0.43 0.03 -1.61 0.00 0.00 179.24 177.24 2dmx h ARG 74 N 0.35 -0.85 -0.32 0.28 3.08 -0.82 -3.07 114.38 113.04 2dmx h ARG 74 Ca 0.10 0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.25 2dmx h ARG 74 Cb 0.03 0.19 -0.07 0.00 0.08 0.00 0.00 29.97 30.20 2dmx h ARG 74 CO -0.02 -0.56 -0.53 0.00 -1.07 0.00 0.00 179.97 177.79 2dmx h ALA 75 N -0.57 -0.79 -5.93 0.04 0.00 -0.87 -3.46 119.26 107.68 2dmx h ALA 75 Ca -0.04 -0.02 -0.39 0.00 0.00 0.00 0.00 54.91 54.47 2dmx h ALA 75 Cb 0.78 1.08 0.10 0.00 0.00 0.00 0.00 17.79 19.74 2dmx h ALA 75 CO -0.07 -1.03 -0.81 0.41 0.00 0.00 0.00 179.25 177.76 2dmx n GLY 76 N -1.37 -0.32 3.46 0.00 0.00 -0.95 -4.95 105.19 101.06 2dmx n GLY 76 Ca -0.04 0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 1.99 1.70 -0.59 0.00 1.01 -1.26 -5.10 116.67 114.41 2dmx s ASP 78 Ca 0.09 -0.21 -0.22 0.00 0.71 0.00 0.00 52.55 52.92 2dmx s ASP 78 Cb -0.19 -0.65 0.06 0.00 1.01 0.00 0.00 42.92 43.15 2dmx s ASP 78 CO 0.11 -0.10 0.87 -0.94 0.21 0.00 0.00 175.17 175.33 2dmx s SER 79 N 1.44 6.24 0.18 0.27 1.04 -1.26 -4.92 113.70 116.69 2dmx s SER 79 Ca -0.02 -0.80 -0.14 0.00 0.48 0.00 0.00 55.95 55.47 2dmx s SER 79 Cb -0.13 -2.39 0.15 0.00 0.10 0.00 0.00 66.02 63.74 2dmx s SER 79 CO -0.04 -1.24 1.72 -0.50 0.98 0.00 0.00 173.24 174.16 2dmx h TRP 80 N 9.35 0.14 -3.24 5.02 4.06 -1.99 -3.40 115.95 125.89 2dmx h TRP 80 Ca -0.28 0.03 -0.61 0.00 2.06 0.00 0.00 58.89 60.09 2dmx h TRP 80 Cb 1.08 0.00 -0.35 0.00 -1.00 0.00 0.00 29.16 28.90 2dmx h TRP 80 CO 0.90 0.00 -0.84 -0.98 -3.56 0.00 0.00 178.44 173.96 2dmx s ARG 81 N -6.15 2.41 -0.02 0.49 3.03 -1.26 -5.09 118.95 112.36 2dmx s ARG 81 Ca -0.13 -0.63 0.01 0.00 2.03 0.00 0.00 55.73 57.01 2dmx s ARG 81 Cb 0.14 -2.03 0.01 0.00 -1.03 0.00 0.00 34.95 32.04 2dmx s ARG 81 CO 0.72 -0.07 -0.04 0.00 -1.13 0.00 0.00 175.30 174.79 2dmx s ALA 82 N 0.99 0.51 0.00 7.88 0.00 -1.26 -5.03 121.76 124.85 2dmx s ALA 82 Ca -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2dmx s ALA 82 Cb -0.15 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.70 2dmx s ALA 82 CO -0.02 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.18 2dmx n GLY 83 N 3.62 0.00 6.71 0.00 0.00 -1.26 -5.01 105.19 109.25 2dmx n GLY 83 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 1.98 -0.27 0.00 -0.02 0.00 -1.26 -4.78 105.19 100.84 2dmx n GLY 84 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.58 3.77 -0.02 0.00 -1.26 -4.84 105.19 100.26 2dmx n GLY 85 Ca 0.00 -0.22 -0.40 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 s ALA 86 N -2.27 3.38 0.03 4.61 0.00 -1.26 -4.95 121.76 121.30 2dmx s ALA 86 Ca 0.00 1.18 -0.21 0.00 0.00 0.00 0.00 51.96 52.93 2dmx s ALA 86 Cb 0.00 -3.45 -0.15 0.00 0.00 0.00 0.00 23.12 19.52 2dmx s ALA 86 CO 0.00 -0.62 1.33 1.03 0.00 0.00 0.00 175.76 177.50 2dmx h SER 87 N 3.15 0.36 -5.00 0.00 0.87 -1.88 -3.50 113.55 107.54 2dmx h SER 87 Ca -0.49 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 59.58 2dmx h SER 87 Cb 1.23 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2dmx h SER 87 CO 0.64 0.77 0.00 0.61 -0.53 0.00 0.00 176.83 178.33 2dmx n GLY 88 N 0.22 -1.04 0.07 5.77 0.00 -1.26 -4.79 105.19 104.16 2dmx n GLY 88 Ca -0.06 -2.20 -0.13 0.00 0.00 0.00 0.00 46.02 43.63 2dmx n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmx h PRO 89 N 4.49 -0.05 -6.23 1.61 0.13 -2.07 -3.47 132.00 126.41 2dmx h PRO 89 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.66 2dmx h PRO 89 Cb 0.00 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.07 2dmx h PRO 89 CO 0.00 0.43 -0.74 -1.13 -0.23 0.00 0.00 178.00 176.32 2dmx n SER 90 N -4.88 -4.57 -4.77 1.44 3.41 -1.26 -4.96 113.62 98.02 2dmx n SER 90 Ca -0.08 -0.76 -0.22 0.00 -0.26 0.00 0.00 58.87 57.54 2dmx n SER 90 Cb 0.25 -3.67 -0.05 0.00 -0.26 0.00 0.00 64.21 60.48 2dmx n SER 90 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dmx s SER 91 N -3.22 4.99 0.00 4.04 0.15 -1.26 -5.12 113.70 113.28 2dmx s SER 91 Ca 0.65 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.71 2dmx s SER 91 Cb -0.33 -0.92 0.00 0.00 -1.71 0.00 0.00 66.02 63.06 2dmx s SER 91 CO 0.80 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.61