#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 4.68 0.00 1.61 0.15 -1.26 -4.95 113.70 113.93 2dmx s SER 2 Ca 0.00 2.53 -0.20 0.00 0.70 0.00 0.00 55.95 58.98 2dmx s SER 2 Cb 0.00 -2.61 -0.23 0.00 -1.71 0.00 0.00 66.02 61.47 2dmx s SER 2 CO 0.00 -1.95 1.10 0.28 1.20 0.00 0.00 173.24 173.88 2dmx h SER 3 N 0.51 0.52 -5.00 5.45 0.02 -2.04 -3.49 113.55 109.52 2dmx h SER 3 Ca -0.50 -0.75 0.00 0.00 -0.84 0.00 0.00 61.79 59.69 2dmx h SER 3 Cb 1.32 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2dmx h SER 3 CO 0.53 1.20 0.00 0.61 -1.14 0.00 0.00 176.83 178.03 2dmx n GLY 4 N 1.04 2.95 3.73 -3.77 0.00 -1.26 -5.08 105.19 102.80 2dmx n GLY 4 Ca -0.10 -1.88 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 2dmx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmx s SER 5 N 0.00 2.81 -0.14 1.61 1.04 -1.26 -5.06 113.70 112.70 2dmx s SER 5 Ca 0.00 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.37 2dmx s SER 5 Cb 0.00 -1.47 0.02 0.00 0.10 0.00 0.00 66.02 64.68 2dmx s SER 5 CO 0.00 -2.98 -0.13 -0.55 0.98 0.00 0.00 173.24 170.55 2dmx s SER 6 N -3.88 2.59 0.00 7.02 0.15 -1.26 -4.99 113.70 113.33 2dmx s SER 6 Ca 0.66 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.85 2dmx s SER 6 Cb -0.15 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.04 2dmx s SER 6 CO 0.55 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.54 2dmx n GLY 7 N 4.74 -0.00 3.52 9.45 0.00 -1.26 -4.17 105.19 117.46 2dmx n GLY 7 Ca -0.17 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 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 0.96 -0.92 1.61 -2.45 -1.26 -4.92 119.30 112.31 2dmx s MET 8 Ca 0.00 0.05 -0.03 0.00 -1.25 0.00 0.00 55.69 54.46 2dmx s MET 8 Cb 0.00 0.45 0.00 0.00 1.25 0.00 0.00 34.83 36.53 2dmx s MET 8 CO 0.00 -0.34 0.79 0.00 1.05 0.00 0.00 175.02 176.53 2dmx n ALA 9 N 0.53 -1.18 -1.71 4.11 0.00 -1.26 -4.92 120.51 116.07 2dmx n ALA 9 Ca -0.15 0.14 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 2dmx n ALA 9 Cb 0.59 -3.07 -0.03 0.00 0.00 0.00 0.00 19.45 16.94 2dmx n ALA 9 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2dmx n ASN 10 N -2.12 3.89 -0.43 0.00 3.02 -1.26 -4.75 115.26 113.61 2dmx n ASN 10 Ca -0.09 1.05 0.36 0.00 -0.03 0.00 0.00 54.58 55.87 2dmx n ASN 10 Cb 0.58 -1.55 0.64 0.00 -0.61 0.00 0.00 39.78 38.84 2dmx n ASN 10 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 2dmx h TYR 11 N 6.88 0.57 -0.83 3.10 -1.99 -1.97 1.09 116.97 123.82 2dmx h TYR 11 Ca -0.44 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.35 2dmx h TYR 11 Cb 1.21 -0.14 -0.05 0.00 2.00 0.00 0.00 36.73 39.75 2dmx h TYR 11 CO 0.66 -0.25 0.53 1.88 -0.00 0.00 0.00 178.16 180.97 2dmx h TYR 12 N 0.07 1.00 -0.13 4.88 0.05 -1.88 -2.05 116.97 118.91 2dmx h TYR 12 Ca 0.84 0.03 -0.22 0.00 0.05 0.00 0.00 58.73 59.42 2dmx h TYR 12 Cb 2.56 -0.33 0.01 0.00 1.01 0.00 0.00 36.73 39.98 2dmx h TYR 12 CO -0.01 0.57 -0.80 0.93 -1.05 0.00 0.00 178.16 177.81 2dmx h GLU 13 N 1.04 0.74 -0.89 4.88 4.39 0.99 0.38 114.58 126.11 2dmx h GLU 13 Ca 0.33 -0.62 0.10 0.00 0.34 0.00 0.00 59.36 59.52 2dmx h GLU 13 Cb 0.01 0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 28.71 2dmx h GLU 13 CO -0.11 1.23 0.53 0.28 -1.16 0.00 0.00 179.01 179.77 2dmx h VAL 14 N 0.50 0.91 0.09 3.13 2.07 -0.87 -2.78 116.25 119.30 2dmx h VAL 14 Ca -0.06 -0.30 -0.34 0.00 0.82 0.00 0.00 66.70 66.83 2dmx h VAL 14 Cb 1.42 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2dmx h VAL 14 CO 0.16 0.16 -1.88 -0.07 0.02 0.00 0.00 177.57 175.96 2dmx h LEU 15 N 0.86 0.30 -0.02 2.57 3.38 -1.40 -3.46 115.31 117.55 2dmx h LEU 15 Ca 0.43 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2dmx h LEU 15 Cb 0.40 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2dmx h LEU 15 CO -0.25 1.59 0.00 0.61 0.09 0.00 0.00 178.44 180.48 2dmx n GLY 16 N 1.85 1.12 3.30 0.83 0.00 0.11 -4.94 105.19 107.47 2dmx n GLY 16 Ca -0.26 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.02 0.41 0.27 1.61 -7.23 0.12 -5.01 120.40 108.54 2dmx s VAL 17 Ca 0.00 -2.00 0.12 0.00 -1.81 0.00 0.00 61.98 58.29 2dmx s VAL 17 Cb 0.00 -2.59 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 2dmx s VAL 17 CO 0.00 0.00 -0.20 -1.10 -0.31 0.00 0.00 175.10 173.49 2dmx s GLN 18 N -4.01 1.64 0.25 4.82 -0.21 -1.26 -4.42 119.66 116.47 2dmx s GLN 18 Ca 0.38 -1.74 -0.03 0.00 0.02 0.00 0.00 55.36 53.98 2dmx s GLN 18 Cb 0.07 -1.72 0.45 0.00 1.00 0.00 0.00 33.01 32.81 2dmx s GLN 18 CO 0.14 0.32 1.78 0.00 -2.12 0.00 0.00 175.29 175.42 2dmx h ALA 19 N 2.34 1.19 0.00 6.09 0.00 -1.98 0.42 119.26 127.32 2dmx h ALA 19 Ca -0.40 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2dmx h ALA 19 Cb 1.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2dmx h ALA 19 CO 0.60 -0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.70 2dmx n SER 20 N -4.82 0.00 -4.77 0.00 3.41 -1.26 -4.75 113.62 101.43 2dmx n SER 20 Ca 0.15 0.09 -0.33 0.00 -0.26 0.00 0.00 58.87 58.51 2dmx n SER 20 Cb 0.35 -0.24 0.04 0.00 -0.26 0.00 0.00 64.21 64.10 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 -2.49 2.49 0.56 7.33 0.00 0.15 -5.01 121.76 124.79 2dmx s ALA 21 Ca 0.09 0.62 -0.16 0.00 0.00 0.00 0.00 51.96 52.51 2dmx s ALA 21 Cb 0.06 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 2dmx s ALA 21 CO 0.13 -1.22 1.03 -1.12 0.00 0.00 0.00 175.76 174.58 2dmx s SER 22 N -2.40 6.12 0.00 0.00 0.01 -1.26 -4.94 113.70 111.24 2dmx s SER 22 Ca 0.69 1.72 0.14 0.00 1.31 0.00 0.00 55.95 59.81 2dmx s SER 22 Cb -0.22 -2.52 0.62 0.00 0.21 0.00 0.00 66.02 64.10 2dmx s SER 22 CO 0.39 -0.93 1.45 -0.81 0.41 0.00 0.00 173.24 173.75 2dmx n PRO 23 N -1.83 0.01 -0.03 12.44 -0.04 -1.26 -2.36 135.00 141.92 2dmx n PRO 23 Ca 0.08 0.25 -0.03 0.00 -0.04 0.00 0.00 63.50 63.76 2dmx n PRO 23 Cb 0.53 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.49 0.65 -0.04 0.54 0.28 -1.26 -4.09 120.64 115.23 2dmx n GLU 24 Ca 0.04 0.08 -0.13 0.00 -0.16 0.00 0.00 57.16 56.98 2dmx n GLU 24 Cb 0.16 -1.66 -0.08 0.00 1.43 0.00 0.00 31.44 31.29 2dmx n GLU 24 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2dmx h ASP 25 N 0.00 0.28 -0.96 -1.84 5.19 -1.85 -2.21 116.42 115.02 2dmx h ASP 25 Ca -0.29 -0.53 0.10 0.00 -0.62 0.00 0.00 57.03 55.69 2dmx h ASP 25 Cb 1.77 -0.08 -0.08 0.00 0.18 0.00 0.00 39.33 41.12 2dmx h ASP 25 CO 0.04 0.76 0.60 0.40 -3.12 0.00 0.00 179.24 177.91 2dmx h ILE 26 N -0.20 0.95 0.12 0.35 2.04 -1.74 0.27 117.51 119.30 2dmx h ILE 26 Ca 0.01 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 2dmx h ILE 26 Cb 0.70 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2dmx h ILE 26 CO 0.03 0.18 -0.06 0.50 0.00 0.00 0.00 178.15 178.81 2dmx h LYS 27 N 0.99 -0.15 -0.89 2.37 3.64 -1.70 -2.19 116.57 118.65 2dmx h LYS 27 Ca 0.46 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.89 2dmx h LYS 27 Cb 0.39 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.19 2dmx h LYS 27 CO -0.24 0.22 0.57 0.87 -2.27 0.00 0.00 179.45 178.61 2dmx h LYS 28 N -0.56 1.08 0.21 1.90 1.57 -0.97 -2.73 116.57 117.06 2dmx h LYS 28 Ca -0.02 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2dmx h LYS 28 Cb 0.44 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2dmx h LYS 28 CO 0.03 0.71 -0.10 0.00 -0.57 0.00 0.00 179.45 179.52 2dmx h ALA 29 N 1.37 -0.28 -0.28 3.86 0.00 -0.47 -3.17 119.26 120.28 2dmx h ALA 29 Ca 0.36 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.24 2dmx h ALA 29 Cb 0.01 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 2dmx h ALA 29 CO -0.12 -0.66 -0.44 -0.92 0.00 0.00 0.00 179.25 177.12 2dmx h TYR 30 N -0.28 -1.33 -0.73 0.00 3.20 -1.09 0.19 116.97 116.93 2dmx h TYR 30 Ca -0.03 0.06 0.07 0.00 3.14 0.00 0.00 58.73 61.97 2dmx h TYR 30 Cb 0.21 0.62 -0.09 0.00 1.54 0.00 0.00 36.73 39.01 2dmx h TYR 30 CO -0.06 -0.39 -0.42 0.54 -1.64 0.00 0.00 178.16 176.19 2dmx n ARG 31 N -4.80 -0.31 0.01 1.82 1.74 -1.11 0.24 116.66 114.26 2dmx n ARG 31 Ca -0.03 1.10 -0.12 0.00 -0.77 0.00 0.00 57.85 58.03 2dmx n ARG 31 Cb 0.27 -1.63 -0.07 0.00 -1.02 0.00 0.00 32.46 30.02 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 0.08 -0.77 5.56 6.56 -1.37 -2.94 116.57 123.68 2dmx h LYS 32 Ca 0.13 -0.01 0.18 0.00 -1.06 0.00 0.00 60.65 59.89 2dmx h LYS 32 Cb 0.31 -0.01 -0.13 0.00 -0.57 0.00 0.00 32.23 31.83 2dmx h LYS 32 CO -0.69 0.17 0.09 -0.07 -2.06 0.00 0.00 179.45 176.90 2dmx h LEU 33 N -0.04 -0.19 -0.90 2.94 3.38 0.29 0.23 115.31 121.03 2dmx h LEU 33 Ca 0.02 0.18 0.22 0.00 0.09 0.00 0.00 57.88 58.39 2dmx h LEU 33 Cb 0.12 0.29 -0.12 0.00 0.09 0.00 0.00 40.66 41.04 2dmx h LEU 33 CO -0.00 -0.14 0.40 0.00 0.09 0.00 0.00 178.44 178.79 2dmx h ALA 34 N 1.69 1.44 0.02 1.53 0.00 -0.36 0.25 119.26 123.83 2dmx h ALA 34 Ca 0.44 0.16 -0.26 0.00 0.00 0.00 0.00 54.91 55.25 2dmx h ALA 34 Cb 0.79 0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.74 2dmx h ALA 34 CO -0.62 -0.33 -1.05 -0.07 0.00 0.00 0.00 179.25 177.17 2dmx h LEU 35 N 0.41 0.79 0.50 0.00 3.38 -0.66 -2.52 115.31 117.20 2dmx h LEU 35 Ca 0.56 -0.65 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2dmx h LEU 35 Cb 1.05 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2dmx h LEU 35 CO -0.52 1.46 -0.24 -0.09 0.09 0.00 0.00 178.44 179.13 2dmx h ARG 36 N 0.32 -0.64 -0.36 1.13 2.43 0.66 -2.10 114.38 115.82 2dmx h ARG 36 Ca -0.13 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2dmx h ARG 36 Cb 1.71 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 2dmx h ARG 36 CO 0.20 -0.42 0.00 0.91 -1.51 0.00 0.00 179.97 179.15 2dmx n TRP 37 N -5.37 0.17 -1.99 2.20 7.02 0.66 -4.84 117.44 115.28 2dmx n TRP 37 Ca -0.12 -0.07 -0.41 0.00 -1.02 0.00 0.00 57.50 55.88 2dmx n TRP 37 Cb 0.28 -0.05 -0.01 0.00 -2.42 0.00 0.00 31.31 29.11 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 -1.67 2.87 0.15 -5.99 2.46 -0.79 -4.19 115.29 108.13 2dmx s HIS 38 Ca 0.07 1.32 -0.10 0.00 0.47 0.00 0.00 55.06 56.81 2dmx s HIS 38 Cb 0.04 -3.81 -0.02 0.00 -0.13 0.00 0.00 32.58 28.65 2dmx s HIS 38 CO 0.04 -2.31 1.49 -1.00 -2.47 0.00 0.00 174.74 170.49 2dmx h PRO 39 N 3.25 0.92 -0.38 2.88 0.13 -1.83 -2.78 132.00 134.19 2dmx h PRO 39 Ca -0.50 -0.48 -0.09 0.00 -0.87 0.00 0.00 66.00 64.07 2dmx h PRO 39 Cb 1.23 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2dmx h PRO 39 CO 0.65 1.13 -0.12 0.22 -0.23 0.00 0.00 178.00 179.65 2dmx h ASP 40 N 0.75 0.66 1.24 1.44 3.58 -1.92 -2.33 116.42 119.84 2dmx h ASP 40 Ca 0.06 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.32 2dmx h ASP 40 Cb 0.98 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.85 2dmx h ASP 40 CO 0.09 0.81 -0.01 0.11 -2.88 0.00 0.00 179.24 177.36 2dmx h LYS 41 N 0.61 0.00 -4.43 0.28 1.79 -1.84 -3.39 116.57 109.59 2dmx h LYS 41 Ca 0.11 0.00 -0.71 0.00 -2.18 0.00 0.00 60.65 57.87 2dmx h LYS 41 Cb 0.56 0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 30.91 2dmx h LYS 41 CO 0.04 0.01 -0.49 -0.80 -1.08 0.00 0.00 179.45 177.13 2dmx s ASN 42 N -5.83 5.48 -0.02 0.86 0.01 -0.88 -4.97 114.94 109.60 2dmx s ASN 42 Ca 0.02 -1.80 -0.25 0.00 -0.71 0.00 0.00 52.86 50.12 2dmx s ASN 42 Cb 0.08 -1.92 -0.19 0.00 0.41 0.00 0.00 41.25 39.62 2dmx s ASN 42 CO 0.58 -0.57 1.22 1.55 -1.51 0.00 0.00 177.10 178.37 2dmx h PRO 43 N 8.27 -0.07 -0.04 -0.60 0.13 -1.77 -3.24 132.00 134.68 2dmx h PRO 43 Ca -0.19 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 0.76 0.39 -0.49 -0.44 -0.23 0.00 0.00 178.00 177.99 2dmx h ASP 44 N -0.55 -1.53 -3.80 1.44 3.32 -1.93 -3.37 116.42 109.99 2dmx h ASP 44 Ca -0.01 0.18 -0.67 0.00 0.02 0.00 0.00 57.03 56.56 2dmx h ASP 44 Cb 0.49 0.59 -0.38 0.00 0.22 0.00 0.00 39.33 40.25 2dmx h ASP 44 CO 0.01 -0.49 -0.77 0.54 -1.72 0.00 0.00 179.24 176.81 2dmx s ASN 45 N -4.79 4.56 -0.21 6.45 4.22 -1.25 -4.96 114.94 118.95 2dmx s ASN 45 Ca -0.16 -1.66 -0.15 0.00 -2.14 0.00 0.00 52.86 48.75 2dmx s ASN 45 Cb 0.08 -1.57 -0.19 0.00 1.28 0.00 0.00 41.25 40.84 2dmx s ASN 45 CO 0.62 -0.26 0.08 0.29 -2.04 0.00 0.00 177.10 175.80 2dmx n LYS 46 N 4.37 0.62 0.34 3.55 5.02 -1.22 -4.02 118.16 126.82 2dmx n LYS 46 Ca -0.08 0.41 -0.13 0.00 -2.02 0.00 0.00 58.31 56.49 2dmx n LYS 46 Cb 0.42 -1.67 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 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 -0.70 -0.85 -0.99 1.97 4.81 -1.90 -2.31 114.58 114.61 2dmx h GLU 47 Ca -0.46 0.06 0.10 0.00 -0.13 0.00 0.00 59.36 58.93 2dmx h GLU 47 Cb 1.57 0.19 -0.13 0.00 0.63 0.00 0.00 28.75 31.02 2dmx h GLU 47 CO -0.19 -0.56 -0.55 1.49 -0.73 0.00 0.00 179.01 178.47 2dmx h GLU 48 N -0.93 -0.01 -0.76 1.92 4.57 -1.99 0.45 114.58 117.83 2dmx h GLU 48 Ca -0.09 0.00 0.16 0.00 -1.18 0.00 0.00 59.36 58.25 2dmx h GLU 48 Cb 0.67 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 29.16 2dmx h GLU 48 CO 0.15 -0.01 0.24 0.00 -1.18 0.00 0.00 179.01 178.21 2dmx h ALA 49 N 0.67 1.04 -0.79 2.92 0.00 -1.69 -0.02 119.26 121.40 2dmx h ALA 49 Ca 0.20 0.15 0.17 0.00 0.00 0.00 0.00 54.91 55.43 2dmx h ALA 49 Cb 0.45 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.32 2dmx h ALA 49 CO -0.94 -0.30 0.26 1.49 0.00 0.00 0.00 179.25 179.76 2dmx h GLU 50 N 0.33 0.34 0.54 0.00 4.22 0.48 -1.40 114.58 119.10 2dmx h GLU 50 Ca 0.43 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.83 2dmx h GLU 50 Cb 0.73 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2dmx h GLU 50 CO -0.48 0.22 -0.28 -0.22 -2.18 0.00 0.00 179.01 176.07 2dmx h LYS 51 N 0.35 -0.73 -0.97 1.92 3.11 -0.59 -2.38 116.57 117.29 2dmx h LYS 51 Ca 0.45 0.05 0.25 0.00 -2.81 0.00 0.00 60.65 58.59 2dmx h LYS 51 Cb 0.78 0.17 -0.06 0.00 -1.00 0.00 0.00 32.23 32.11 2dmx h LYS 51 CO -0.49 -0.49 0.65 0.87 -2.81 0.00 0.00 179.45 177.19 2dmx h LYS 52 N -0.76 0.25 -0.95 1.90 1.79 -1.10 0.16 116.57 117.86 2dmx h LYS 52 Ca -0.07 -0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.46 2dmx h LYS 52 Cb 0.59 -0.06 -0.07 0.00 -1.58 0.00 0.00 32.23 31.11 2dmx h LYS 52 CO 0.11 0.17 0.60 0.35 -1.08 0.00 0.00 179.45 179.60 2dmx h PHE 53 N 0.26 1.12 -0.29 -1.35 3.04 -0.75 -0.99 116.94 117.98 2dmx h PHE 53 Ca 0.50 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.44 2dmx h PHE 53 Cb 1.51 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 39.65 2dmx h PHE 53 CO -0.00 0.55 0.03 -0.22 -2.02 0.00 0.00 178.31 176.65 2dmx h LYS 54 N 1.08 0.49 -0.29 1.11 1.63 -0.65 -2.53 116.57 117.41 2dmx h LYS 54 Ca 0.42 -0.14 0.02 0.00 -0.85 0.00 0.00 60.65 60.10 2dmx h LYS 54 Cb 0.22 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 2dmx h LYS 54 CO -0.19 0.62 0.15 -0.07 -3.45 0.00 0.00 179.45 176.51 2dmx h LEU 55 N 0.30 0.22 -0.51 5.20 3.38 -1.27 0.13 115.31 122.75 2dmx h LEU 55 Ca 0.09 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.13 2dmx h LEU 55 Cb 0.38 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 2dmx h LEU 55 CO 0.01 0.17 0.20 0.58 0.09 0.00 0.00 178.44 179.49 2dmx h VAL 56 N 0.31 0.85 -0.05 1.22 2.07 -1.15 0.30 116.25 119.80 2dmx h VAL 56 Ca 0.12 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2dmx h VAL 56 Cb 0.03 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2dmx h VAL 56 CO -0.08 0.07 -0.01 -1.28 0.02 0.00 0.00 177.57 176.30 2dmx h SER 57 N 0.39 0.09 0.84 0.57 0.87 -1.09 0.15 113.55 115.37 2dmx h SER 57 Ca 0.25 -0.34 -0.04 0.00 -1.23 0.00 0.00 61.79 60.42 2dmx h SER 57 Cb 0.25 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2dmx h SER 57 CO -0.23 0.41 -0.49 -0.08 -0.53 0.00 0.00 176.83 175.91 2dmx h GLU 58 N -0.23 -1.19 -0.95 2.24 4.57 -0.42 -0.93 114.58 117.66 2dmx h GLU 58 Ca 0.01 0.08 0.08 0.00 -1.18 0.00 0.00 59.36 58.36 2dmx h GLU 58 Cb 0.37 0.27 -0.07 0.00 -0.16 0.00 0.00 28.75 29.16 2dmx h GLU 58 CO 0.00 -0.80 0.60 0.00 -1.18 0.00 0.00 179.01 177.63 2dmx h ALA 59 N -1.18 1.35 -0.82 2.92 0.00 -0.49 0.86 119.26 121.90 2dmx h ALA 59 Ca -0.11 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2dmx h ALA 59 Cb 0.98 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 2dmx h ALA 59 CO 0.13 0.31 0.53 -0.92 0.00 0.00 0.00 179.25 179.30 2dmx h TYR 60 N 1.04 0.99 0.07 0.00 3.20 -0.73 -0.73 116.97 120.80 2dmx h TYR 60 Ca 0.43 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.33 2dmx h TYR 60 Cb 0.28 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.22 2dmx h TYR 60 CO -0.02 0.57 -0.03 0.93 -1.64 0.00 0.00 178.16 177.97 2dmx h GLU 61 N 1.03 -0.09 -0.80 1.82 5.08 -0.20 0.44 114.58 121.86 2dmx h GLU 61 Ca 0.33 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.86 2dmx h GLU 61 Cb 0.00 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.17 2dmx h GLU 61 CO -0.11 0.46 0.31 0.28 -1.00 0.00 0.00 179.01 178.95 2dmx h VAL 62 N -0.75 0.58 0.00 3.13 2.07 -0.75 -1.46 116.25 119.07 2dmx h VAL 62 Ca -0.01 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 2dmx h VAL 62 Cb 0.60 0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2dmx h VAL 62 CO 0.02 0.08 -0.31 -0.07 0.02 0.00 0.00 177.57 177.30 2dmx h LEU 63 N 0.41 0.27 -1.27 2.57 3.38 -1.19 -1.66 115.31 117.82 2dmx h LEU 63 Ca 0.46 -0.79 0.33 0.00 0.09 0.00 0.00 57.88 57.97 2dmx h LEU 63 Cb 0.77 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.31 2dmx h LEU 63 CO -0.46 1.02 0.70 0.28 0.09 0.00 0.00 178.44 180.07 2dmx h SER 64 N -0.45 0.41 -4.35 -0.43 0.02 -0.19 -3.41 113.55 105.16 2dmx h SER 64 Ca -0.04 0.13 -0.51 0.00 -0.84 0.00 0.00 61.79 60.53 2dmx h SER 64 Cb 1.08 0.08 0.08 0.00 0.14 0.00 0.00 62.40 63.78 2dmx h SER 64 CO 0.06 -0.05 0.39 -1.81 -1.14 0.00 0.00 176.83 174.27 2dmx s ASP 65 N -4.92 5.57 -0.23 3.07 1.11 -0.62 -5.02 116.67 115.64 2dmx s ASP 65 Ca -0.09 1.50 -0.15 0.00 0.18 0.00 0.00 52.55 53.99 2dmx s ASP 65 Cb 0.28 -2.42 -0.17 0.00 1.07 0.00 0.00 42.92 41.68 2dmx s ASP 65 CO 0.80 -1.30 0.01 -0.24 1.18 0.00 0.00 175.17 175.62 2dmx n SER 66 N -3.03 1.94 -0.08 0.27 2.88 -1.26 -3.41 113.62 110.93 2dmx n SER 66 Ca 0.07 0.32 -0.14 0.00 -1.33 0.00 0.00 58.87 57.80 2dmx n SER 66 Cb 0.54 -0.86 -0.05 0.00 -0.75 0.00 0.00 64.21 63.09 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 -0.79 0.62 -0.30 -1.46 2.10 -1.95 -2.27 116.57 112.52 2dmx h LYS 67 Ca -0.50 -0.35 -0.03 0.00 -2.00 0.00 0.00 60.65 57.78 2dmx h LYS 67 Cb 1.55 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.89 2dmx h LYS 67 CO -0.24 0.95 0.08 0.87 -2.00 0.00 0.00 179.45 179.12 2dmx h LYS 68 N 0.32 0.47 -0.57 0.07 1.57 -1.80 -1.81 116.57 114.83 2dmx h LYS 68 Ca 0.03 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2dmx h LYS 68 Cb 0.87 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 2dmx h LYS 68 CO 0.07 0.54 0.36 -0.09 -0.57 0.00 0.00 179.45 179.76 2dmx h ARG 69 N 0.32 0.71 -0.21 3.15 2.43 -1.31 0.70 114.38 120.17 2dmx h ARG 69 Ca 0.09 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2dmx h ARG 69 Cb 0.27 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2dmx h ARG 69 CO -0.00 0.47 -0.07 1.03 -1.51 0.00 0.00 179.97 179.88 2dmx h SER 70 N 0.73 0.30 0.00 -3.80 0.87 -1.28 -2.34 113.55 108.04 2dmx h SER 70 Ca 0.22 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2dmx h SER 70 Cb -0.04 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 2dmx h SER 70 CO -0.07 0.42 -0.00 -0.07 -0.53 0.00 0.00 176.83 176.58 2dmx h LEU 71 N 0.31 -0.00 -1.20 2.23 3.38 -0.54 -2.72 115.31 116.77 2dmx h LEU 71 Ca 0.07 -0.69 0.15 0.00 0.09 0.00 0.00 57.88 57.50 2dmx h LEU 71 Cb 0.33 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 2dmx h LEU 71 CO 0.02 0.69 0.60 0.22 0.09 0.00 0.00 178.44 180.05 2dmx h TYR 72 N -0.70 0.91 0.58 1.13 3.20 -0.77 0.41 116.97 121.73 2dmx h TYR 72 Ca -0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 2dmx h TYR 72 Cb 0.69 -0.28 0.01 0.00 1.54 0.00 0.00 36.73 38.69 2dmx h TYR 72 CO 0.17 0.31 -0.28 0.22 -1.64 0.00 0.00 178.16 176.94 2dmx h ASP 73 N 0.74 -0.66 -0.06 -2.11 3.58 -1.46 -2.82 116.42 113.63 2dmx h ASP 73 Ca 0.48 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.92 2dmx h ASP 73 Cb 0.74 0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.96 2dmx h ASP 73 CO -0.24 -0.28 0.05 0.08 -2.88 0.00 0.00 179.24 175.96 2dmx h ARG 74 N -1.12 0.02 -0.64 0.28 0.11 -1.12 0.55 114.38 112.46 2dmx h ARG 74 Ca -0.08 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.00 2dmx h ARG 74 Cb 0.65 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.72 2dmx h ARG 74 CO 0.13 0.01 0.00 0.00 0.10 0.00 0.00 179.97 180.22 2dmx n ALA 75 N -2.55 2.75 -2.40 0.08 0.00 0.14 -4.79 120.51 113.74 2dmx n ALA 75 Ca -0.02 -0.50 -0.38 0.00 0.00 0.00 0.00 53.44 52.54 2dmx n ALA 75 Cb 0.14 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 2dmx n ALA 75 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2dmx s GLY 76 N -0.51 0.86 0.73 0.00 0.00 0.18 -4.98 107.32 103.61 2dmx s GLY 76 Ca 0.16 -1.78 -0.11 0.00 0.00 0.00 0.00 44.72 42.98 2dmx s GLY 76 CO 0.07 2.92 1.08 0.00 0.00 0.00 0.00 173.10 177.16 2dmx s ASP 78 N -4.05 6.38 0.09 0.00 2.15 -1.26 -4.43 116.67 115.54 2dmx s ASP 78 Ca 0.59 1.03 -0.20 0.00 0.43 0.00 0.00 52.55 54.39 2dmx s ASP 78 Cb -0.13 -2.28 -0.07 0.00 -0.30 0.00 0.00 42.92 40.14 2dmx s ASP 78 CO 0.54 -0.50 0.60 -0.44 -0.17 0.00 0.00 175.17 175.19 2dmx s SER 79 N -3.66 7.11 -0.34 -0.34 0.01 -1.26 -4.97 113.70 110.24 2dmx s SER 79 Ca 0.49 1.31 -0.01 0.00 1.31 0.00 0.00 55.95 59.05 2dmx s SER 79 Cb -0.10 -2.38 0.08 0.00 0.21 0.00 0.00 66.02 63.83 2dmx s SER 79 CO 0.39 0.27 0.07 0.26 0.41 0.00 0.00 173.24 174.63 2dmx s TRP 80 N -1.12 3.44 -0.15 2.43 0.52 -1.26 -5.05 118.94 117.75 2dmx s TRP 80 Ca 0.30 -2.22 0.01 0.00 0.02 0.00 0.00 56.10 54.21 2dmx s TRP 80 Cb -0.20 -2.58 0.02 0.00 -1.15 0.00 0.00 33.47 29.56 2dmx s TRP 80 CO 0.20 -0.88 -0.16 1.03 0.02 0.00 0.00 176.95 177.16 2dmx s ARG 81 N 1.16 2.43 0.11 4.98 0.52 -1.26 -5.04 118.95 121.86 2dmx s ARG 81 Ca 0.01 -0.62 -0.25 0.00 -0.52 0.00 0.00 55.73 54.35 2dmx s ARG 81 Cb -0.21 -2.15 0.08 0.00 0.52 0.00 0.00 34.95 33.18 2dmx s ARG 81 CO -0.03 -0.19 0.75 0.00 0.02 0.00 0.00 175.30 175.85 2dmx s ALA 82 N 1.32 -1.65 0.00 2.13 0.00 -1.26 -5.13 121.76 117.18 2dmx s ALA 82 Ca 0.02 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.55 2dmx s ALA 82 Cb -0.13 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.68 2dmx s ALA 82 CO -0.09 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.29 2dmx n GLY 83 N -0.35 1.42 3.52 0.00 0.00 -1.26 -4.51 105.19 104.01 2dmx n GLY 83 Ca -0.12 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 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 1.55 0.00 -0.02 0.00 -1.26 -4.83 107.32 102.76 2dmx s GLY 84 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.56 2dmx s GLY 84 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 173.10 174.25 2dmx n GLY 85 N 0.50 0.21 2.95 0.20 0.00 -1.26 -5.02 105.19 102.76 2dmx n GLY 85 Ca 0.03 -1.80 -0.17 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.63 -0.90 -3.91 4.61 0.00 -1.26 -5.01 120.51 113.41 2dmx n ALA 86 Ca 0.00 0.28 -0.28 0.00 0.00 0.00 0.00 53.44 53.44 2dmx n ALA 86 Cb 0.00 -3.89 -0.16 0.00 0.00 0.00 0.00 19.45 15.39 2dmx n ALA 86 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2dmx s SER 87 N -3.11 2.74 0.00 0.00 1.04 -1.26 -5.13 113.70 107.97 2dmx s SER 87 Ca 0.38 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2dmx s SER 87 Cb -0.17 -0.94 0.00 0.00 0.10 0.00 0.00 66.02 65.02 2dmx s SER 87 CO 0.47 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.14 2dmx n GLY 88 N 4.87 3.44 0.10 7.32 0.00 -1.26 -4.98 105.19 114.68 2dmx n GLY 88 Ca -0.12 -1.99 0.11 0.00 0.00 0.00 0.00 46.02 44.01 2dmx n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmx n PRO 89 N 0.00 0.15 -2.60 1.61 -0.04 -1.26 -4.67 135.00 128.20 2dmx n PRO 89 Ca 0.00 0.39 -0.43 0.00 -0.04 0.00 0.00 63.50 63.42 2dmx n PRO 89 Cb 0.00 -1.80 -0.02 0.00 -0.04 0.00 0.00 33.50 31.64 2dmx n PRO 89 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmx s SER 90 N -3.98 6.90 -0.07 3.54 0.15 -1.26 -4.92 113.70 114.06 2dmx s SER 90 Ca 0.05 1.13 -0.26 0.00 0.70 0.00 0.00 55.95 57.57 2dmx s SER 90 Cb 0.09 -2.54 -0.24 0.00 -1.71 0.00 0.00 66.02 61.62 2dmx s SER 90 CO 0.36 -0.89 0.99 0.28 1.20 0.00 0.00 173.24 175.17 2dmx h SER 91 N 8.24 0.15 0.00 5.45 0.02 -2.03 -3.50 113.55 121.87 2dmx h SER 91 Ca -0.22 -0.81 0.00 0.00 -0.84 0.00 0.00 61.79 59.93 2dmx h SER 91 Cb 1.07 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2dmx h SER 91 CO 1.03 0.94 0.00 0.61 -1.14 0.00 0.00 176.83 178.26