#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 0.08 -4.32 1.61 0.02 -2.08 -3.47 113.55 105.38 2dmx h SER 2 Ca 0.00 -0.76 -0.46 0.00 -0.84 0.00 0.00 61.79 59.74 2dmx h SER 2 Cb 0.00 -0.03 -0.25 0.00 0.14 0.00 0.00 62.40 62.27 2dmx h SER 2 CO 0.00 1.34 -0.80 -0.55 -1.14 0.00 0.00 176.83 175.68 2dmx s SER 3 N -6.67 1.76 0.00 3.07 0.15 -1.26 -5.11 113.70 105.64 2dmx s SER 3 Ca -0.23 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 55.95 2dmx s SER 3 Cb 0.02 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 2dmx s SER 3 CO 0.66 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.76 2dmx n GLY 4 N 1.86 -0.09 0.12 9.45 0.00 -1.26 -4.99 105.19 110.29 2dmx n GLY 4 Ca -0.18 -1.46 -0.24 0.00 0.00 0.00 0.00 46.02 44.14 2dmx n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dmx n SER 5 N 1.10 1.93 -3.83 1.61 7.64 -1.26 -4.99 113.62 115.81 2dmx n SER 5 Ca 0.00 0.34 -0.28 0.00 1.01 0.00 0.00 58.87 59.94 2dmx n SER 5 Cb 0.00 -0.88 0.03 0.00 -1.01 0.00 0.00 64.21 62.36 2dmx n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dmx n SER 6 N -4.19 -4.19 -3.66 6.43 7.64 -1.26 -4.94 113.62 109.45 2dmx n SER 6 Ca -0.40 -0.76 -0.04 0.00 1.01 0.00 0.00 58.87 58.68 2dmx n SER 6 Cb 0.81 -4.05 -0.01 0.00 -1.01 0.00 0.00 64.21 59.94 2dmx n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dmx s GLY 7 N -3.54 -0.33 0.07 0.23 0.00 -1.26 -5.14 107.32 97.35 2dmx s GLY 7 Ca 0.51 0.55 -0.31 0.00 0.00 0.00 0.00 44.72 45.48 2dmx s GLY 7 CO 0.82 0.15 1.41 1.06 0.00 0.00 0.00 173.10 176.53 2dmx s MET 8 N -3.04 4.30 -0.15 2.90 1.00 -1.26 -4.96 119.30 118.09 2dmx s MET 8 Ca 0.10 2.05 -0.29 0.00 0.00 0.00 0.00 55.69 57.55 2dmx s MET 8 Cb -0.00 -3.40 -0.02 0.00 0.00 0.00 0.00 34.83 31.41 2dmx s MET 8 CO -0.02 -0.51 1.35 0.00 0.00 0.00 0.00 175.02 175.83 2dmx s ALA 9 N 1.71 3.64 -0.02 3.03 0.00 -1.26 -4.97 121.76 123.89 2dmx s ALA 9 Ca 0.65 0.54 -0.30 0.00 0.00 0.00 0.00 51.96 52.85 2dmx s ALA 9 Cb -0.35 -3.65 -0.05 0.00 0.00 0.00 0.00 23.12 19.06 2dmx s ALA 9 CO 0.29 -1.25 1.46 -0.80 0.00 0.00 0.00 175.76 175.46 2dmx s ASN 10 N 2.30 6.80 0.13 0.00 0.01 -1.26 -4.92 114.94 117.99 2dmx s ASN 10 Ca 0.59 2.12 -0.25 0.00 -0.71 0.00 0.00 52.86 54.61 2dmx s ASN 10 Cb -0.24 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 38.83 2dmx s ASN 10 CO 0.18 -0.78 1.64 1.88 -1.51 0.00 0.00 177.10 178.50 2dmx h TYR 11 N 8.29 -0.66 -0.92 2.20 0.05 -1.96 0.18 116.97 124.16 2dmx h TYR 11 Ca -0.37 0.02 0.18 0.00 0.05 0.00 0.00 58.73 58.62 2dmx h TYR 11 Cb 1.17 0.30 -0.11 0.00 1.01 0.00 0.00 36.73 39.10 2dmx h TYR 11 CO 0.79 -0.33 0.49 1.88 -1.05 0.00 0.00 178.16 179.93 2dmx h TYR 12 N -0.36 0.84 0.29 4.88 0.05 -1.92 -1.72 116.97 119.04 2dmx h TYR 12 Ca 0.07 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 2dmx h TYR 12 Cb 0.46 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 37.97 2dmx h TYR 12 CO -0.30 0.13 -0.14 0.93 -1.05 0.00 0.00 178.16 177.73 2dmx h GLU 13 N 0.61 -0.37 -0.95 4.88 5.08 -1.52 0.41 114.58 122.72 2dmx h GLU 13 Ca 0.53 0.03 0.30 0.00 -1.00 0.00 0.00 59.36 59.22 2dmx h GLU 13 Cb 0.87 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 30.04 2dmx h GLU 13 CO -0.42 -0.03 0.30 0.28 -1.00 0.00 0.00 179.01 178.14 2dmx h VAL 14 N -0.86 0.17 0.20 3.13 2.07 -0.06 0.90 116.25 121.80 2dmx h VAL 14 Ca -0.04 -0.04 -0.32 0.00 0.82 0.00 0.00 66.70 67.11 2dmx h VAL 14 Cb 0.52 0.03 0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2dmx h VAL 14 CO 0.06 0.02 -1.51 -0.07 0.02 0.00 0.00 177.57 176.09 2dmx h LEU 15 N 0.13 0.68 0.00 2.57 3.38 -1.34 -3.48 115.31 117.25 2dmx h LEU 15 Ca 0.66 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2dmx h LEU 15 Cb 1.47 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2dmx h LEU 15 CO -0.74 1.70 0.00 0.61 0.09 0.00 0.00 178.44 180.10 2dmx n GLY 16 N 1.77 0.94 3.10 0.83 0.00 0.12 -5.00 105.19 106.96 2dmx n GLY 16 Ca -0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.88 0.20 0.19 1.61 -7.23 0.22 -5.01 120.40 108.51 2dmx s VAL 17 Ca 0.00 -1.83 0.07 0.00 -1.81 0.00 0.00 61.98 58.41 2dmx s VAL 17 Cb 0.00 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 2dmx s VAL 17 CO 0.00 -0.88 0.04 -1.10 -0.31 0.00 0.00 175.10 172.84 2dmx s GLN 18 N -3.95 2.51 0.28 4.82 -1.52 -1.26 -4.38 119.66 116.16 2dmx s GLN 18 Ca 0.11 -1.11 0.02 0.00 -1.95 0.00 0.00 55.36 52.43 2dmx s GLN 18 Cb 0.08 -2.39 0.61 0.00 -0.22 0.00 0.00 33.01 31.09 2dmx s GLN 18 CO -0.07 0.44 1.77 0.00 -0.25 0.00 0.00 175.29 177.18 2dmx h ALA 19 N 2.46 1.45 -0.14 6.09 0.00 -2.01 0.31 119.26 127.42 2dmx h ALA 19 Ca -0.47 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.56 2dmx h ALA 19 Cb 1.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2dmx h ALA 19 CO 0.59 -0.05 0.22 1.03 0.00 0.00 0.00 179.25 181.04 2dmx h SER 20 N 0.71 0.00 -2.81 0.00 0.87 -2.06 -3.43 113.55 106.83 2dmx h SER 20 Ca 0.51 0.00 -0.47 0.00 -1.23 0.00 0.00 61.79 60.60 2dmx h SER 20 Cb 0.73 0.00 0.23 0.00 -0.44 0.00 0.00 62.40 62.92 2dmx h SER 20 CO -0.36 0.00 -0.67 0.00 -0.53 0.00 0.00 176.83 175.27 2dmx n ALA 21 N -2.21 -3.44 -2.62 6.23 0.00 0.11 -5.01 120.51 113.57 2dmx n ALA 21 Ca 0.01 -1.12 -0.22 0.00 0.00 0.00 0.00 53.44 52.10 2dmx n ALA 21 Cb 0.32 -1.72 -0.01 0.00 0.00 0.00 0.00 19.45 18.05 2dmx n ALA 21 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dmx s SER 22 N -2.05 6.12 0.00 0.00 0.01 -1.26 -4.98 113.70 111.54 2dmx s SER 22 Ca 0.60 0.18 0.15 0.00 1.31 0.00 0.00 55.95 58.18 2dmx s SER 22 Cb -0.17 -1.70 0.69 0.00 0.21 0.00 0.00 66.02 65.05 2dmx s SER 22 CO 0.66 -0.36 1.43 -0.81 0.41 0.00 0.00 173.24 174.56 2dmx n PRO 23 N -1.73 0.12 -0.07 12.44 -0.04 -1.26 -2.87 135.00 141.60 2dmx n PRO 23 Ca -0.03 0.19 -0.21 0.00 -0.04 0.00 0.00 63.50 63.41 2dmx n PRO 23 Cb 0.57 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.41 2dmx n PRO 23 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2dmx n GLU 24 N -1.37 0.68 -0.24 0.54 2.13 -1.26 -3.75 120.64 117.37 2dmx n GLU 24 Ca 0.06 0.25 -0.06 0.00 0.66 0.00 0.00 57.16 58.06 2dmx n GLU 24 Cb 0.14 -1.62 0.04 0.00 0.27 0.00 0.00 31.44 30.27 2dmx n GLU 24 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2dmx h ASP 25 N -0.16 0.87 -0.66 4.31 3.32 -1.93 -2.20 116.42 119.96 2dmx h ASP 25 Ca -0.50 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.36 2dmx h ASP 25 Cb 1.87 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 41.17 2dmx h ASP 25 CO -0.06 0.76 0.21 0.40 -1.72 0.00 0.00 179.24 178.83 2dmx h ILE 26 N 0.92 1.25 0.36 0.35 2.04 -1.73 -1.27 117.51 119.43 2dmx h ILE 26 Ca 0.23 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 2dmx h ILE 26 Cb 0.12 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2dmx h ILE 26 CO -0.03 0.33 -0.19 0.11 0.00 0.00 0.00 178.15 178.37 2dmx h LYS 27 N 0.97 -0.50 -0.54 2.37 1.57 -1.58 -1.92 116.57 116.93 2dmx h LYS 27 Ca 0.21 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2dmx h LYS 27 Cb 0.30 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 2dmx h LYS 27 CO -0.01 -0.33 0.34 1.57 -0.57 0.00 0.00 179.45 180.45 2dmx h LYS 28 N -0.52 0.72 0.08 3.15 2.10 -1.34 -2.58 116.57 118.18 2dmx h LYS 28 Ca -0.05 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 2dmx h LYS 28 Cb 0.41 -0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2dmx h LYS 28 CO 0.06 0.49 -0.06 0.00 -2.00 0.00 0.00 179.45 177.94 2dmx h ALA 29 N 1.64 -0.13 -0.31 0.07 0.00 -0.84 -2.92 119.26 116.77 2dmx h ALA 29 Ca 0.20 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2dmx h ALA 29 Cb -0.06 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2dmx h ALA 29 CO -0.04 -0.58 0.10 -0.92 0.00 0.00 0.00 179.25 177.81 2dmx h TYR 30 N -0.15 0.18 -0.78 0.00 3.20 -1.03 0.13 116.97 118.52 2dmx h TYR 30 Ca -0.00 0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.99 2dmx h TYR 30 Cb 0.14 -0.04 -0.12 0.00 1.54 0.00 0.00 36.73 38.25 2dmx h TYR 30 CO -0.09 0.08 -0.46 0.00 -1.64 0.00 0.00 178.16 176.04 2dmx h ARG 31 N 0.24 -0.12 0.34 1.82 3.08 -1.28 0.22 114.38 118.67 2dmx h ARG 31 Ca 0.14 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 2dmx h ARG 31 Cb 0.11 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2dmx h ARG 31 CO -0.15 -0.08 -0.16 0.87 -1.07 0.00 0.00 179.97 179.38 2dmx h LYS 32 N -0.12 -0.44 -0.91 0.04 6.56 -1.37 -3.29 116.57 117.03 2dmx h LYS 32 Ca 0.21 0.03 0.11 0.00 -1.06 0.00 0.00 60.65 59.94 2dmx h LYS 32 Cb 0.54 0.10 -0.13 0.00 -0.57 0.00 0.00 32.23 32.17 2dmx h LYS 32 CO -0.82 -0.15 -0.45 1.28 -2.06 0.00 0.00 179.45 177.25 2dmx n LEU 33 N -5.09 -0.79 -0.31 2.94 4.77 0.42 0.37 117.00 119.31 2dmx n LEU 33 Ca -0.08 1.61 0.04 0.00 -0.03 0.00 0.00 56.01 57.54 2dmx n LEU 33 Cb 0.25 -0.28 0.11 0.00 -2.33 0.00 0.00 43.42 41.17 2dmx n LEU 33 CO 0.22 -1.37 0.68 0.00 -1.33 0.00 0.00 177.39 175.59 2dmx h ALA 34 N 0.84 0.56 -0.36 -1.18 0.00 -0.67 0.52 119.26 118.96 2dmx h ALA 34 Ca 0.23 0.34 -0.13 0.00 0.00 0.00 0.00 54.91 55.34 2dmx h ALA 34 Cb 0.46 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2dmx h ALA 34 CO -0.88 -0.40 -0.31 -0.07 0.00 0.00 0.00 179.25 177.59 2dmx h LEU 35 N -0.00 0.83 0.24 0.00 3.38 -0.15 -2.13 115.31 117.47 2dmx h LEU 35 Ca 0.42 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2dmx h LEU 35 Cb 0.64 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2dmx h LEU 35 CO -0.91 1.07 -0.15 -0.09 0.09 0.00 0.00 178.44 178.46 2dmx h ARG 36 N 0.67 -0.36 -0.73 1.13 2.43 0.25 -1.84 114.38 115.94 2dmx h ARG 36 Ca 0.07 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2dmx h ARG 36 Cb 0.85 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 2dmx h ARG 36 CO 0.07 -0.24 0.00 0.91 -1.51 0.00 0.00 179.97 179.20 2dmx n TRP 37 N -5.27 0.50 -2.26 2.20 7.02 0.60 -4.87 117.44 115.36 2dmx n TRP 37 Ca -0.09 -0.18 -0.41 0.00 -1.02 0.00 0.00 57.50 55.80 2dmx n TRP 37 Cb 0.18 -0.16 -0.03 0.00 -2.42 0.00 0.00 31.31 28.88 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 3.26 0.17 -5.99 2.46 -0.69 -4.06 115.29 108.90 2dmx s HIS 38 Ca 0.15 1.52 -0.08 0.00 0.47 0.00 0.00 55.06 57.12 2dmx s HIS 38 Cb 0.10 -3.52 0.04 0.00 -0.13 0.00 0.00 32.58 29.07 2dmx s HIS 38 CO 0.05 -1.35 1.51 -1.00 -2.47 0.00 0.00 174.74 171.49 2dmx h PRO 39 N 3.64 0.82 -0.43 2.88 0.13 -1.81 -2.81 132.00 134.41 2dmx h PRO 39 Ca -0.48 -0.43 -0.09 0.00 -0.87 0.00 0.00 66.00 64.12 2dmx h PRO 39 Cb 1.22 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2dmx h PRO 39 CO 0.66 1.07 -0.11 0.22 -0.23 0.00 0.00 178.00 179.61 2dmx h ASP 40 N 0.67 0.78 1.12 1.44 3.58 -1.92 -2.41 116.42 119.68 2dmx h ASP 40 Ca 0.05 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.26 2dmx h ASP 40 Cb 0.97 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.81 2dmx h ASP 40 CO 0.09 0.91 -0.03 0.11 -2.88 0.00 0.00 179.24 177.45 2dmx h LYS 41 N 0.71 0.00 -4.40 0.28 1.79 -1.84 -3.39 116.57 109.72 2dmx h LYS 41 Ca 0.12 0.00 -0.71 0.00 -2.18 0.00 0.00 60.65 57.87 2dmx h LYS 41 Cb 0.60 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 30.95 2dmx h LYS 41 CO 0.04 0.03 -0.46 -0.80 -1.08 0.00 0.00 179.45 177.17 2dmx s ASN 42 N -5.81 5.56 -0.02 0.86 0.01 -0.91 -4.96 114.94 109.67 2dmx s ASN 42 Ca 0.02 -1.77 -0.26 0.00 -0.71 0.00 0.00 52.86 50.14 2dmx s ASN 42 Cb 0.09 -1.95 -0.20 0.00 0.41 0.00 0.00 41.25 39.59 2dmx s ASN 42 CO 0.57 -0.59 1.24 1.55 -1.51 0.00 0.00 177.10 178.35 2dmx h PRO 43 N 8.34 -0.04 -0.23 -0.60 0.13 -1.77 -3.27 132.00 134.56 2dmx h PRO 43 Ca -0.20 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.98 2dmx h PRO 43 Cb 1.07 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.14 2dmx h PRO 43 CO 0.78 0.43 -0.46 -0.44 -0.23 0.00 0.00 178.00 178.08 2dmx h ASP 44 N -0.53 -1.47 -3.69 1.44 3.32 -1.93 -3.37 116.42 110.19 2dmx h ASP 44 Ca -0.00 0.20 -0.64 0.00 0.02 0.00 0.00 57.03 56.61 2dmx h ASP 44 Cb 0.49 0.61 -0.37 0.00 0.22 0.00 0.00 39.33 40.27 2dmx h ASP 44 CO 0.01 -0.42 -0.80 0.54 -1.72 0.00 0.00 179.24 176.85 2dmx s ASN 45 N -4.93 4.02 -0.11 6.45 4.22 -1.25 -5.00 114.94 118.33 2dmx s ASN 45 Ca -0.15 -1.21 -0.09 0.00 -2.14 0.00 0.00 52.86 49.27 2dmx s ASN 45 Cb 0.10 -1.35 -0.03 0.00 1.28 0.00 0.00 41.25 41.24 2dmx s ASN 45 CO 0.64 -0.20 -0.17 0.29 -2.04 0.00 0.00 177.10 175.62 2dmx n LYS 46 N 4.57 0.35 0.12 3.55 5.02 -1.23 -3.98 118.16 126.55 2dmx n LYS 46 Ca -0.14 0.37 -0.16 0.00 -2.02 0.00 0.00 58.31 56.37 2dmx n LYS 46 Cb 0.44 -1.38 -0.09 0.00 -0.02 0.00 0.00 35.03 33.97 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 -0.74 -0.71 -0.84 1.97 4.57 -1.91 -0.51 114.58 116.40 2dmx h GLU 47 Ca 0.00 0.05 0.11 0.00 -1.18 0.00 0.00 59.36 58.33 2dmx h GLU 47 Cb 0.48 0.16 -0.13 0.00 -0.16 0.00 0.00 28.75 29.10 2dmx h GLU 47 CO 0.00 -0.47 -0.49 1.49 -1.18 0.00 0.00 179.01 178.36 2dmx h GLU 48 N -0.74 -0.09 -0.91 1.92 4.81 -1.99 0.43 114.58 118.02 2dmx h GLU 48 Ca -0.01 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 2dmx h GLU 48 Cb 0.73 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.05 2dmx h GLU 48 CO -0.26 -0.06 0.54 0.00 -0.73 0.00 0.00 179.01 178.50 2dmx h ALA 49 N 0.75 1.34 -0.53 2.92 0.00 -1.60 -2.32 119.26 119.81 2dmx h ALA 49 Ca 0.21 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.26 2dmx h ALA 49 Cb 0.52 -0.16 -0.11 0.00 0.00 0.00 0.00 17.79 18.05 2dmx h ALA 49 CO -0.86 0.14 -0.29 1.49 0.00 0.00 0.00 179.25 179.73 2dmx h GLU 50 N 0.87 -0.15 -0.56 0.00 4.81 0.15 -1.49 114.58 118.21 2dmx h GLU 50 Ca 0.45 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.77 2dmx h GLU 50 Cb 0.44 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.76 2dmx h GLU 50 CO -0.27 -0.10 -0.45 -0.22 -0.73 0.00 0.00 179.01 177.24 2dmx h LYS 51 N -0.16 -0.24 -0.89 1.92 1.63 -1.07 0.18 116.57 117.95 2dmx h LYS 51 Ca 0.23 0.02 0.18 0.00 -0.85 0.00 0.00 60.65 60.22 2dmx h LYS 51 Cb 0.53 0.05 -0.11 0.00 -0.60 0.00 0.00 32.23 32.10 2dmx h LYS 51 CO -0.62 -0.16 0.45 0.87 -3.45 0.00 0.00 179.45 176.54 2dmx h LYS 52 N -0.24 0.54 -0.63 1.90 1.79 -1.34 -0.51 116.57 118.08 2dmx h LYS 52 Ca 0.17 -0.03 0.13 0.00 -2.18 0.00 0.00 60.65 58.73 2dmx h LYS 52 Cb 0.56 -0.12 -0.10 0.00 -1.58 0.00 0.00 32.23 30.99 2dmx h LYS 52 CO -0.68 0.36 0.06 0.35 -1.08 0.00 0.00 179.45 178.46 2dmx h PHE 53 N 0.56 0.07 -0.80 -1.35 3.57 -0.07 0.18 116.94 119.11 2dmx h PHE 53 Ca 0.51 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 62.05 2dmx h PHE 53 Cb 0.84 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 2dmx h PHE 53 CO -0.09 -0.12 0.48 -0.22 -2.23 0.00 0.00 178.31 176.12 2dmx h LYS 54 N 0.18 1.09 0.03 1.11 3.64 -0.81 -1.80 116.57 120.01 2dmx h LYS 54 Ca 0.34 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2dmx h LYS 54 Cb 0.54 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2dmx h LYS 54 CO -0.49 0.77 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.37 2dmx h LEU 55 N 1.10 -0.03 -0.82 5.20 3.38 -0.73 0.18 115.31 123.59 2dmx h LEU 55 Ca 0.29 -0.21 0.11 0.00 0.09 0.00 0.00 57.88 58.15 2dmx h LEU 55 Cb -0.03 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.65 2dmx h LEU 55 CO -0.05 0.19 0.45 0.58 0.09 0.00 0.00 178.44 179.70 2dmx h VAL 56 N -0.26 0.86 -0.01 1.22 2.07 -0.56 0.33 116.25 119.89 2dmx h VAL 56 Ca -0.00 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2dmx h VAL 56 Cb 0.24 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2dmx h VAL 56 CO 0.01 0.13 -0.03 -1.28 0.02 0.00 0.00 177.57 176.42 2dmx h SER 57 N 0.73 0.05 0.75 0.57 0.87 -1.20 -1.53 113.55 113.80 2dmx h SER 57 Ca 0.41 -0.59 -0.03 0.00 -1.23 0.00 0.00 61.79 60.35 2dmx h SER 57 Cb 0.44 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2dmx h SER 57 CO -0.28 0.63 -0.48 -0.08 -0.53 0.00 0.00 176.83 176.10 2dmx h GLU 58 N -0.53 -1.12 -0.86 2.24 4.81 -0.23 -2.70 114.58 116.20 2dmx h GLU 58 Ca -0.00 0.08 0.09 0.00 -0.13 0.00 0.00 59.36 59.39 2dmx h GLU 58 Cb 0.63 0.25 -0.07 0.00 0.63 0.00 0.00 28.75 30.19 2dmx h GLU 58 CO 0.01 -0.74 0.52 0.00 -0.73 0.00 0.00 179.01 178.06 2dmx h ALA 59 N -1.05 1.23 -0.96 2.92 0.00 -0.48 -1.38 119.26 119.54 2dmx h ALA 59 Ca -0.10 0.02 0.21 0.00 0.00 0.00 0.00 54.91 55.04 2dmx h ALA 59 Cb 0.94 -0.18 -0.12 0.00 0.00 0.00 0.00 17.79 18.43 2dmx h ALA 59 CO 0.09 0.18 0.53 -0.92 0.00 0.00 0.00 179.25 179.13 2dmx h TYR 60 N 0.88 0.91 0.01 0.00 3.20 -1.03 -0.43 116.97 120.52 2dmx h TYR 60 Ca 0.41 0.04 -0.23 0.00 3.14 0.00 0.00 58.73 62.08 2dmx h TYR 60 Cb 0.32 -0.25 0.02 0.00 1.54 0.00 0.00 36.73 38.35 2dmx h TYR 60 CO -0.04 0.09 -0.89 0.93 -1.64 0.00 0.00 178.16 176.60 2dmx h GLU 61 N 0.58 0.58 -1.02 1.82 4.39 -0.97 -1.11 114.58 118.86 2dmx h GLU 61 Ca 0.58 -0.64 0.25 0.00 0.34 0.00 0.00 59.36 59.89 2dmx h GLU 61 Cb 1.03 0.19 -0.12 0.00 -0.10 0.00 0.00 28.75 29.76 2dmx h GLU 61 CO -0.45 1.25 0.62 0.28 -1.16 0.00 0.00 179.01 179.55 2dmx h VAL 62 N 0.18 0.54 0.04 3.13 2.07 -0.32 0.46 116.25 122.36 2dmx h VAL 62 Ca -0.12 -0.18 -0.25 0.00 0.82 0.00 0.00 66.70 66.97 2dmx h VAL 62 Cb 1.57 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2dmx h VAL 62 CO 0.18 0.10 -1.34 -0.07 0.02 0.00 0.00 177.57 176.45 2dmx h LEU 63 N 0.54 0.15 -1.01 2.57 3.38 -1.43 0.44 115.31 119.94 2dmx h LEU 63 Ca 0.63 -0.68 0.26 0.00 0.09 0.00 0.00 57.88 58.18 2dmx h LEU 63 Cb 1.29 -0.05 -0.13 0.00 0.09 0.00 0.00 40.66 41.87 2dmx h LEU 63 CO -0.42 1.55 0.59 -1.28 0.09 0.00 0.00 178.44 178.97 2dmx h SER 64 N -0.68 0.64 -3.68 -0.43 0.87 -0.63 -3.40 113.55 106.24 2dmx h SER 64 Ca -0.33 0.15 -0.50 0.00 -1.23 0.00 0.00 61.79 59.87 2dmx h SER 64 Cb 1.50 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.49 2dmx h SER 64 CO -0.09 0.05 0.30 -1.81 -0.53 0.00 0.00 176.83 174.74 2dmx s ASP 65 N -5.13 7.56 0.03 6.23 1.11 0.10 -4.98 116.67 121.58 2dmx s ASP 65 Ca -0.10 1.85 -0.20 0.00 0.18 0.00 0.00 52.55 54.27 2dmx s ASP 65 Cb 0.28 -2.57 -0.17 0.00 1.07 0.00 0.00 42.92 41.53 2dmx s ASP 65 CO 0.80 0.17 1.27 -1.28 1.18 0.00 0.00 175.17 177.30 2dmx h SER 66 N 4.16 0.43 -0.40 0.27 0.87 -1.88 0.58 113.55 117.58 2dmx h SER 66 Ca -0.46 -0.57 -0.02 0.00 -1.23 0.00 0.00 61.79 59.52 2dmx h SER 66 Cb 1.20 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.02 2dmx h SER 66 CO 0.67 0.92 0.19 0.07 -0.53 0.00 0.00 176.83 178.15 2dmx h LYS 67 N -0.04 0.58 -0.15 2.24 2.10 -1.93 0.68 116.57 120.05 2dmx h LYS 67 Ca 0.00 -0.09 -0.05 0.00 -2.00 0.00 0.00 60.65 58.51 2dmx h LYS 67 Cb 0.85 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 32.08 2dmx h LYS 67 CO 0.06 0.52 -0.11 0.87 -2.00 0.00 0.00 179.45 178.78 2dmx h LYS 68 N 0.51 0.33 0.40 0.07 1.57 -1.76 -1.08 116.57 116.62 2dmx h LYS 68 Ca 0.14 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2dmx h LYS 68 Cb 0.13 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2dmx h LYS 68 CO -0.02 0.70 -0.25 -0.09 -0.57 0.00 0.00 179.45 179.22 2dmx h ARG 69 N -0.02 -0.60 0.26 3.15 2.43 0.23 0.18 114.38 120.00 2dmx h ARG 69 Ca 0.03 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2dmx h ARG 69 Cb 0.62 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2dmx h ARG 69 CO 0.03 -0.40 -0.18 1.03 -1.51 0.00 0.00 179.97 178.94 2dmx h SER 70 N -0.63 -0.46 -0.56 -3.80 0.87 -0.93 -2.78 113.55 105.27 2dmx h SER 70 Ca -0.04 0.03 0.08 0.00 -1.23 0.00 0.00 61.79 60.63 2dmx h SER 70 Cb 0.52 0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 62.55 2dmx h SER 70 CO 0.04 -0.28 0.19 -0.07 -0.53 0.00 0.00 176.83 176.18 2dmx h LEU 71 N -0.44 0.18 -0.37 2.23 3.38 -1.13 -2.66 115.31 116.50 2dmx h LEU 71 Ca -0.02 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.07 2dmx h LEU 71 Cb 0.38 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 2dmx h LEU 71 CO 0.01 0.12 -0.54 0.22 0.09 0.00 0.00 178.44 178.34 2dmx h TYR 72 N 0.37 -1.62 -0.92 1.13 3.20 -0.37 0.29 116.97 119.04 2dmx h TYR 72 Ca 0.28 0.08 0.25 0.00 3.14 0.00 0.00 58.73 62.47 2dmx h TYR 72 Cb 0.33 0.76 -0.13 0.00 1.54 0.00 0.00 36.73 39.22 2dmx h TYR 72 CO -0.17 -0.49 0.39 0.22 -1.64 0.00 0.00 178.16 176.46 2dmx h ASP 73 N -0.42 0.28 -0.22 -2.11 3.58 -1.26 0.10 116.42 116.38 2dmx h ASP 73 Ca 0.08 0.17 -0.06 0.00 0.42 0.00 0.00 57.03 57.64 2dmx h ASP 73 Cb 0.61 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 2dmx h ASP 73 CO -0.57 -0.07 -0.10 0.03 -2.88 0.00 0.00 179.24 175.64 2dmx h ARG 74 N 0.33 0.46 -0.99 0.28 3.08 -0.73 -2.90 114.38 113.92 2dmx h ARG 74 Ca 0.60 -0.20 0.25 0.00 0.07 0.00 0.00 59.98 60.69 2dmx h ARG 74 Cb 1.21 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 31.17 2dmx h ARG 74 CO -0.58 0.74 0.65 0.00 -1.07 0.00 0.00 179.97 179.71 2dmx h ALA 75 N 0.72 2.32 -0.10 0.04 0.00 0.20 0.30 119.26 122.74 2dmx h ALA 75 Ca 0.05 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2dmx h ALA 75 Cb 0.59 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2dmx h ALA 75 CO 0.03 -0.66 0.05 0.41 0.00 0.00 0.00 179.25 179.08 2dmx n GLY 76 N -1.53 2.08 2.81 0.00 0.00 -0.83 -4.81 105.19 102.92 2dmx n GLY 76 Ca 0.22 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 2dmx n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmx n ASP 78 N -1.88 0.16 -4.74 0.00 5.68 -1.11 -3.93 116.55 110.72 2dmx n ASP 78 Ca -0.05 1.22 -0.35 0.00 -0.50 0.00 0.00 54.79 55.10 2dmx n ASP 78 Cb 0.55 -0.55 -0.08 0.00 -1.14 0.00 0.00 41.12 39.90 2dmx n ASP 78 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2dmx s SER 79 N -4.75 6.23 0.20 -1.12 0.15 -1.26 -5.00 113.70 108.15 2dmx s SER 79 Ca -0.07 0.26 -0.22 0.00 0.70 0.00 0.00 55.95 56.61 2dmx s SER 79 Cb 0.24 -2.09 0.13 0.00 -1.71 0.00 0.00 66.02 62.59 2dmx s SER 79 CO 0.57 0.20 1.52 0.79 1.20 0.00 0.00 173.24 177.52 2dmx n TRP 80 N 3.39 -0.13 -4.47 3.44 7.02 -1.25 -4.14 117.44 121.30 2dmx n TRP 80 Ca -0.16 1.22 -0.33 0.00 -1.02 0.00 0.00 57.50 57.21 2dmx n TRP 80 Cb 0.52 -0.77 -0.16 0.00 -2.42 0.00 0.00 31.31 28.48 2dmx n TRP 80 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 2dmx s ARG 81 N -5.78 2.98 -0.15 -0.99 1.70 -1.26 -5.09 118.95 110.36 2dmx s ARG 81 Ca -0.13 -0.83 0.02 0.00 -0.47 0.00 0.00 55.73 54.31 2dmx s ARG 81 Cb 0.17 -2.46 0.01 0.00 -0.57 0.00 0.00 34.95 32.09 2dmx s ARG 81 CO 0.67 -0.08 -0.20 0.00 -1.08 0.00 0.00 175.30 174.61 2dmx s ALA 82 N 0.99 2.32 0.00 7.88 0.00 -1.26 -4.89 121.76 126.81 2dmx s ALA 82 Ca -0.03 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.84 2dmx s ALA 82 Cb -0.15 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 21.90 2dmx s ALA 82 CO -0.06 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.06 2dmx n GLY 83 N 4.10 1.71 3.56 0.00 0.00 -1.26 -5.01 105.19 108.29 2dmx n GLY 83 Ca -0.20 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 2dmx n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dmx s GLY 84 N 0.00 0.83 0.00 -0.02 0.00 -1.26 -4.69 107.32 102.18 2dmx s GLY 84 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 42.84 2dmx s GLY 84 CO 0.00 2.98 0.00 0.61 0.00 0.00 0.00 173.10 176.69 2dmx n GLY 85 N 6.73 2.12 3.24 0.20 0.00 -1.26 -5.10 105.19 111.12 2dmx n GLY 85 Ca 0.33 0.24 -0.14 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.04 1.38 0.16 4.61 0.00 -1.26 -5.16 121.76 120.45 2dmx s ALA 86 Ca 0.00 -1.49 0.11 0.00 0.00 0.00 0.00 51.96 50.58 2dmx s ALA 86 Cb 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 2dmx s ALA 86 CO 0.00 -0.14 -0.24 -1.12 0.00 0.00 0.00 175.76 174.26 2dmx s SER 87 N -3.15 3.49 -0.37 0.00 0.01 -1.26 -5.06 113.70 107.35 2dmx s SER 87 Ca 0.17 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.66 2dmx s SER 87 Cb 0.03 -0.30 0.12 0.00 0.21 0.00 0.00 66.02 66.09 2dmx s SER 87 CO 0.00 0.15 0.18 -0.83 0.41 0.00 0.00 173.24 173.15 2dmx s GLY 88 N -2.41 1.24 -0.50 3.44 0.00 -1.26 -5.08 107.32 102.75 2dmx s GLY 88 Ca 0.18 -2.07 -0.27 0.00 0.00 0.00 0.00 44.72 42.56 2dmx s GLY 88 CO 0.09 1.72 1.79 2.56 0.00 0.00 0.00 173.10 179.26 2dmx s PRO 89 N 0.99 2.96 -1.48 2.90 0.04 -1.26 -3.30 135.00 135.85 2dmx s PRO 89 Ca 0.15 0.90 -0.12 0.00 0.04 0.00 0.00 61.00 61.97 2dmx s PRO 89 Cb -0.22 -4.29 0.08 0.00 0.04 0.00 0.00 34.50 30.12 2dmx s PRO 89 CO -0.09 -2.32 0.80 -1.13 0.04 0.00 0.00 177.00 174.30 2dmx n SER 90 N 11.51 -4.64 -4.74 6.66 3.41 -1.26 -4.92 113.62 119.64 2dmx n SER 90 Ca 0.21 -0.63 -0.40 0.00 -0.26 0.00 0.00 58.87 57.78 2dmx n SER 90 Cb 0.50 -3.74 -0.05 0.00 -0.26 0.00 0.00 64.21 60.66 2dmx n SER 90 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dmx s SER 91 N -3.07 7.36 0.00 4.04 1.04 -1.21 -5.34 113.70 116.51 2dmx s SER 91 Ca 0.56 1.62 0.24 0.00 0.48 0.00 0.00 55.95 58.85 2dmx s SER 91 Cb -0.28 -2.53 1.43 0.00 0.10 0.00 0.00 66.02 64.74 2dmx s SER 91 CO 0.69 -0.01 1.79 0.61 0.98 0.00 0.00 173.24 177.30