#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 4.02 0.12 1.61 0.01 -1.26 -5.04 113.70 113.17 2dmx s SER 2 Ca 0.00 -1.41 -0.24 0.00 1.31 0.00 0.00 55.95 55.62 2dmx s SER 2 Cb 0.00 -0.16 -0.05 0.00 0.21 0.00 0.00 66.02 66.02 2dmx s SER 2 CO 0.00 -0.58 1.27 -1.54 0.41 0.00 0.00 173.24 172.80 2dmx n SER 3 N -1.09 -0.81 -3.87 2.44 3.41 -1.26 -4.71 113.62 107.73 2dmx n SER 3 Ca -0.08 1.46 -0.25 0.00 -0.26 0.00 0.00 58.87 59.73 2dmx n SER 3 Cb 0.67 -0.22 -0.08 0.00 -0.26 0.00 0.00 64.21 64.32 2dmx n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmx n GLY 4 N -1.19 3.13 2.86 5.00 0.00 -1.26 -5.16 105.19 108.57 2dmx n GLY 4 Ca 0.02 -2.08 -0.21 0.00 0.00 0.00 0.00 46.02 43.74 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 -3.59 1.10 -0.29 1.61 0.01 -1.26 -5.02 113.70 106.27 2dmx s SER 5 Ca 0.25 -0.11 -0.28 0.00 1.31 0.00 0.00 55.95 57.11 2dmx s SER 5 Cb 0.01 -0.44 0.01 0.00 0.21 0.00 0.00 66.02 65.81 2dmx s SER 5 CO 0.18 -0.09 1.03 -0.55 0.41 0.00 0.00 173.24 174.21 2dmx s SER 6 N 1.21 6.96 0.00 2.44 0.15 -1.26 -4.80 113.70 118.40 2dmx s SER 6 Ca -0.07 1.12 0.00 0.00 0.70 0.00 0.00 55.95 57.70 2dmx s SER 6 Cb -0.14 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2dmx s SER 6 CO -0.02 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.26 2dmx n GLY 7 N 3.72 -0.09 3.89 9.45 0.00 -1.26 -5.15 105.19 115.74 2dmx n GLY 7 Ca 0.11 0.50 -0.33 0.00 0.00 0.00 0.00 46.02 46.30 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 1.37 3.64 0.12 1.61 0.00 -1.26 -5.08 119.30 119.70 2dmx s MET 8 Ca 0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 55.69 55.41 2dmx s MET 8 Cb 0.00 -2.97 -0.07 0.00 0.00 0.00 0.00 34.83 31.79 2dmx s MET 8 CO 0.00 0.56 0.77 0.00 0.00 0.00 0.00 175.02 176.35 2dmx s ALA 9 N -1.46 3.42 -0.36 3.16 0.00 -1.26 -5.04 121.76 120.22 2dmx s ALA 9 Ca 0.34 0.33 -0.17 0.00 0.00 0.00 0.00 51.96 52.46 2dmx s ALA 9 Cb -0.13 -2.97 -0.00 0.00 0.00 0.00 0.00 23.12 20.02 2dmx s ALA 9 CO 0.20 0.21 0.46 -0.80 0.00 0.00 0.00 175.76 175.83 2dmx s ASN 10 N -0.74 6.26 0.23 0.00 0.01 -1.26 -4.96 114.94 114.47 2dmx s ASN 10 Ca 0.37 -0.19 -0.15 0.00 -0.71 0.00 0.00 52.86 52.18 2dmx s ASN 10 Cb -0.22 -2.24 0.27 0.00 0.41 0.00 0.00 41.25 39.47 2dmx s ASN 10 CO 0.25 -0.46 1.57 1.88 -1.51 0.00 0.00 177.10 178.83 2dmx h TYR 11 N 8.51 -0.78 -0.78 2.20 0.05 -1.97 0.44 116.97 124.65 2dmx h TYR 11 Ca -0.28 0.09 0.17 0.00 0.05 0.00 0.00 58.73 58.75 2dmx h TYR 11 Cb 1.13 0.47 -0.11 0.00 1.01 0.00 0.00 36.73 39.23 2dmx h TYR 11 CO 0.70 -0.39 0.25 1.88 -1.05 0.00 0.00 178.16 179.55 2dmx h TYR 12 N -0.04 0.41 0.29 4.88 0.05 -1.93 -1.25 116.97 119.38 2dmx h TYR 12 Ca 0.35 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 59.15 2dmx h TYR 12 Cb 0.60 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.29 2dmx h TYR 12 CO -0.73 -0.04 -0.14 0.93 -1.05 0.00 0.00 178.16 177.12 2dmx h GLU 13 N 0.34 -0.38 -0.82 4.88 4.39 -0.47 0.42 114.58 122.93 2dmx h GLU 13 Ca 0.45 0.03 0.20 0.00 0.34 0.00 0.00 59.36 60.37 2dmx h GLU 13 Cb 0.76 0.09 -0.14 0.00 -0.10 0.00 0.00 28.75 29.36 2dmx h GLU 13 CO -0.49 -0.08 0.06 0.28 -1.16 0.00 0.00 179.01 177.62 2dmx h VAL 14 N -0.68 0.29 0.06 3.13 2.07 -0.30 -0.58 116.25 120.22 2dmx h VAL 14 Ca -0.04 -0.04 -0.22 0.00 0.82 0.00 0.00 66.70 67.22 2dmx h VAL 14 Cb 0.47 0.16 0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2dmx h VAL 14 CO 0.07 0.02 -0.89 -0.07 0.02 0.00 0.00 177.57 176.72 2dmx h LEU 15 N 0.12 0.68 -0.34 2.57 3.38 -1.22 -3.47 115.31 117.03 2dmx h LEU 15 Ca 0.47 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2dmx h LEU 15 Cb 0.88 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2dmx h LEU 15 CO -0.70 1.41 0.00 0.61 0.09 0.00 0.00 178.44 179.85 2dmx n GLY 16 N 1.26 0.87 3.55 0.83 0.00 0.14 -4.94 105.19 106.89 2dmx n GLY 16 Ca -0.12 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.10 1.04 0.28 1.61 -7.23 -0.84 -5.03 120.40 108.12 2dmx s VAL 17 Ca 0.00 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.14 2dmx s VAL 17 Cb 0.00 -2.54 -0.05 0.00 0.56 0.00 0.00 36.38 34.36 2dmx s VAL 17 CO 0.00 0.00 0.52 -1.10 -0.31 0.00 0.00 175.10 174.21 2dmx s GLN 18 N -3.81 3.58 0.24 4.82 -0.21 -1.26 -4.68 119.66 118.34 2dmx s GLN 18 Ca 0.26 -0.13 -0.06 0.00 0.02 0.00 0.00 55.36 55.45 2dmx s GLN 18 Cb 0.05 -2.69 0.29 0.00 1.00 0.00 0.00 33.01 31.66 2dmx s GLN 18 CO 0.13 0.24 1.88 0.00 -2.12 0.00 0.00 175.29 175.42 2dmx h ALA 19 N 1.59 1.18 -0.30 6.09 0.00 -2.01 -0.37 119.26 125.44 2dmx h ALA 19 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2dmx h ALA 19 Cb 1.19 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2dmx h ALA 19 CO 0.66 0.39 0.00 0.45 0.00 0.00 0.00 179.25 180.75 2dmx n SER 20 N -4.55 3.02 -4.76 0.00 2.88 -1.26 -4.94 113.62 104.01 2dmx n SER 20 Ca 0.12 -2.36 -0.38 0.00 -1.33 0.00 0.00 58.87 54.92 2dmx n SER 20 Cb 0.11 -0.52 0.01 0.00 -0.75 0.00 0.00 64.21 63.07 2dmx n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dmx s ALA 21 N -1.79 2.96 0.78 -1.46 0.00 -0.15 -5.00 121.76 117.11 2dmx s ALA 21 Ca 0.26 1.11 -0.11 0.00 0.00 0.00 0.00 51.96 53.22 2dmx s ALA 21 Cb 0.19 -3.46 0.06 0.00 0.00 0.00 0.00 23.12 19.91 2dmx s ALA 21 CO 0.10 -0.92 1.09 -1.12 0.00 0.00 0.00 175.76 174.90 2dmx s SER 22 N -1.14 4.47 0.00 0.00 0.01 -1.26 -4.91 113.70 110.87 2dmx s SER 22 Ca 0.65 1.66 0.15 0.00 1.31 0.00 0.00 55.95 59.72 2dmx s SER 22 Cb -0.34 -2.40 0.74 0.00 0.21 0.00 0.00 66.02 64.23 2dmx s SER 22 CO 0.41 -2.03 1.41 -0.81 0.41 0.00 0.00 173.24 172.63 2dmx n PRO 23 N -3.51 0.19 -0.06 12.44 -0.04 -1.26 -2.92 135.00 139.85 2dmx n PRO 23 Ca 0.08 0.15 -0.22 0.00 -0.04 0.00 0.00 63.50 63.48 2dmx n PRO 23 Cb 0.54 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.30 0.66 -0.13 0.54 0.00 -1.26 -3.74 120.64 115.41 2dmx n GLU 24 Ca 0.07 0.40 -0.05 0.00 0.00 0.00 0.00 57.16 57.58 2dmx n GLU 24 Cb 0.12 -1.70 0.03 0.00 0.00 0.00 0.00 31.44 29.89 2dmx n GLU 24 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 2dmx h ASP 25 N -0.47 0.10 -0.52 4.31 3.58 -1.91 -1.60 116.42 119.91 2dmx h ASP 25 Ca -0.42 0.06 0.03 0.00 0.42 0.00 0.00 57.03 57.12 2dmx h ASP 25 Cb 1.68 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 42.75 2dmx h ASP 25 CO -0.09 0.09 0.30 0.40 -2.88 0.00 0.00 179.24 177.07 2dmx h ILE 26 N 0.27 1.02 0.55 2.25 2.04 -1.75 0.40 117.51 122.30 2dmx h ILE 26 Ca 0.19 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2dmx h ILE 26 Cb 0.20 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2dmx h ILE 26 CO -0.22 0.11 -0.42 0.50 0.00 0.00 0.00 178.15 178.12 2dmx h LYS 27 N 0.59 -0.91 -0.59 2.37 3.64 -1.50 -0.51 116.57 119.66 2dmx h LYS 27 Ca 0.22 0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.72 2dmx h LYS 27 Cb 0.06 0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 32.03 2dmx h LYS 27 CO -0.11 -0.61 0.29 0.87 -2.27 0.00 0.00 179.45 177.62 2dmx h LYS 28 N -0.95 0.53 -0.75 1.90 1.57 -1.17 -1.82 116.57 115.87 2dmx h LYS 28 Ca -0.06 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.76 2dmx h LYS 28 Cb 0.80 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.92 2dmx h LYS 28 CO 0.01 0.35 0.42 0.00 -0.57 0.00 0.00 179.45 179.66 2dmx h ALA 29 N 1.34 1.04 0.57 3.86 0.00 -0.67 -2.25 119.26 123.15 2dmx h ALA 29 Ca 0.28 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 2dmx h ALA 29 Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2dmx h ALA 29 CO -0.21 0.07 -0.28 -0.92 0.00 0.00 0.00 179.25 177.91 2dmx h TYR 30 N 0.73 -0.74 -0.61 0.00 3.20 -0.26 0.34 116.97 119.64 2dmx h TYR 30 Ca 0.35 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.26 2dmx h TYR 30 Cb 0.28 0.25 -0.08 0.00 1.54 0.00 0.00 36.73 38.72 2dmx h TYR 30 CO -0.07 -0.45 -0.45 0.00 -1.64 0.00 0.00 178.16 175.55 2dmx h ARG 31 N -0.78 -0.11 -0.29 1.82 3.08 -1.33 0.24 114.38 117.01 2dmx h ARG 31 Ca -0.08 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.03 2dmx h ARG 31 Cb 0.60 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.63 2dmx h ARG 31 CO 0.12 -0.07 0.03 0.87 -1.07 0.00 0.00 179.97 179.85 2dmx h LYS 32 N -0.11 0.12 -0.10 0.04 1.79 -1.44 -2.88 116.57 113.99 2dmx h LYS 32 Ca 0.10 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.59 2dmx h LYS 32 Cb 0.37 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.93 2dmx h LYS 32 CO -0.63 0.08 -0.50 -0.07 -1.08 0.00 0.00 179.45 177.25 2dmx h LEU 33 N 0.12 -1.56 -0.75 2.94 3.38 0.14 -1.00 115.31 118.58 2dmx h LEU 33 Ca 0.14 0.19 0.20 0.00 0.09 0.00 0.00 57.88 58.50 2dmx h LEU 33 Cb 0.17 0.61 -0.14 0.00 0.09 0.00 0.00 40.66 41.39 2dmx h LEU 33 CO -0.21 -0.48 -0.00 0.00 0.09 0.00 0.00 178.44 177.84 2dmx n ALA 34 N -2.97 0.36 -0.04 1.53 0.00 0.66 0.22 120.51 120.27 2dmx n ALA 34 Ca -0.06 0.81 -0.15 0.00 0.00 0.00 0.00 53.44 54.04 2dmx n ALA 34 Cb 0.38 -0.58 -0.04 0.00 0.00 0.00 0.00 19.45 19.21 2dmx n ALA 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2dmx h LEU 35 N 0.00 0.91 -0.41 0.00 6.46 -1.26 -2.14 115.31 118.87 2dmx h LEU 35 Ca 0.45 -0.54 0.01 0.00 -0.12 0.00 0.00 57.88 57.68 2dmx h LEU 35 Cb 0.90 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.54 2dmx h LEU 35 CO -0.71 1.33 0.25 -0.09 -0.62 0.00 0.00 178.44 178.60 2dmx h ARG 36 N 0.58 0.49 -0.67 1.25 1.12 0.39 -1.54 114.38 116.00 2dmx h ARG 36 Ca -0.02 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 2dmx h ARG 36 Cb 1.27 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 31.12 2dmx h ARG 36 CO 0.14 0.33 0.00 0.91 -3.11 0.00 0.00 179.97 178.23 2dmx n TRP 37 N -4.84 1.09 -2.01 2.20 7.02 0.52 -4.93 117.44 116.48 2dmx n TRP 37 Ca 0.01 -0.40 -0.41 0.00 -1.02 0.00 0.00 57.50 55.68 2dmx n TRP 37 Cb 0.05 -0.26 -0.02 0.00 -2.42 0.00 0.00 31.31 28.66 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 -1.90 2.94 0.12 -5.99 2.46 -0.58 -4.06 115.29 108.28 2dmx s HIS 38 Ca 0.32 1.25 -0.13 0.00 0.47 0.00 0.00 55.06 56.97 2dmx s HIS 38 Cb 0.23 -3.80 -0.06 0.00 -0.13 0.00 0.00 32.58 28.81 2dmx s HIS 38 CO 0.12 -2.34 1.45 -1.00 -2.47 0.00 0.00 174.74 170.49 2dmx h PRO 39 N 3.76 0.82 -0.60 2.88 0.13 -1.84 -2.90 132.00 134.26 2dmx h PRO 39 Ca -0.49 -0.44 -0.03 0.00 -0.87 0.00 0.00 66.00 64.17 2dmx h PRO 39 Cb 1.23 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 2dmx h PRO 39 CO 0.69 1.07 0.24 -0.44 -0.23 0.00 0.00 178.00 179.32 2dmx h ASP 40 N 0.61 0.80 1.06 1.44 5.19 -1.92 -1.64 116.42 121.96 2dmx h ASP 40 Ca 0.05 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.34 2dmx h ASP 40 Cb 0.92 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 40.22 2dmx h ASP 40 CO 0.08 0.72 -0.06 0.11 -3.12 0.00 0.00 179.24 176.97 2dmx h LYS 41 N 0.86 0.00 -4.39 3.56 1.79 -1.87 -3.39 116.57 113.14 2dmx h LYS 41 Ca 0.20 0.00 -0.72 0.00 -2.18 0.00 0.00 60.65 57.96 2dmx h LYS 41 Cb 0.18 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 30.53 2dmx h LYS 41 CO -0.02 0.06 -0.45 -0.80 -1.08 0.00 0.00 179.45 177.17 2dmx s ASN 42 N -5.87 5.60 -0.02 0.86 0.01 -0.62 -4.96 114.94 109.93 2dmx s ASN 42 Ca 0.01 -1.77 -0.25 0.00 -0.71 0.00 0.00 52.86 50.14 2dmx s ASN 42 Cb 0.09 -1.97 -0.20 0.00 0.41 0.00 0.00 41.25 39.58 2dmx s ASN 42 CO 0.58 -0.61 1.23 1.55 -1.51 0.00 0.00 177.10 178.34 2dmx h PRO 43 N 8.37 -0.05 0.08 -0.60 0.13 -1.77 -3.28 132.00 134.88 2dmx h PRO 43 Ca -0.21 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.95 2dmx h PRO 43 Cb 1.07 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.16 2dmx h PRO 43 CO 0.79 0.41 -0.48 -0.44 -0.23 0.00 0.00 178.00 178.05 2dmx h ASP 44 N -0.55 -1.45 -3.82 1.44 3.32 -1.93 -3.38 116.42 110.05 2dmx h ASP 44 Ca -0.01 0.16 -0.67 0.00 0.02 0.00 0.00 57.03 56.53 2dmx h ASP 44 Cb 0.49 0.55 -0.35 0.00 0.22 0.00 0.00 39.33 40.24 2dmx h ASP 44 CO 0.01 -0.52 -0.77 0.54 -1.72 0.00 0.00 179.24 176.78 2dmx s ASN 45 N -4.71 4.57 -0.17 6.45 4.22 -1.25 -4.98 114.94 119.07 2dmx s ASN 45 Ca -0.16 -1.34 -0.14 0.00 -2.14 0.00 0.00 52.86 49.09 2dmx s ASN 45 Cb 0.07 -1.60 -0.07 0.00 1.28 0.00 0.00 41.25 40.92 2dmx s ASN 45 CO 0.62 -0.21 -0.16 0.29 -2.04 0.00 0.00 177.10 175.61 2dmx n LYS 46 N 4.50 0.50 0.27 3.55 4.01 -1.24 -4.09 118.16 125.66 2dmx n LYS 46 Ca -0.14 0.45 -0.15 0.00 -0.51 0.00 0.00 58.31 57.96 2dmx n LYS 46 Cb 0.43 -1.64 -0.08 0.00 -0.51 0.00 0.00 35.03 33.23 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 -0.84 -0.90 1.97 4.22 -1.91 -1.92 114.58 114.20 2dmx h GLU 47 Ca -0.11 0.06 0.14 0.00 0.08 0.00 0.00 59.36 59.52 2dmx h GLU 47 Cb 0.83 0.19 -0.14 0.00 0.50 0.00 0.00 28.75 30.13 2dmx h GLU 47 CO -0.07 -0.56 -0.36 -1.91 -2.18 0.00 0.00 179.01 173.93 2dmx n GLU 48 N -4.97 -0.22 -0.02 1.92 2.13 -1.26 0.27 120.64 118.49 2dmx n GLU 48 Ca -0.10 1.38 -0.09 0.00 0.66 0.00 0.00 57.16 59.01 2dmx n GLU 48 Cb 0.39 -2.05 -0.03 0.00 0.27 0.00 0.00 31.44 30.02 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 1.19 0.03 -0.90 4.31 0.00 -1.66 -1.99 119.26 120.25 2dmx h ALA 49 Ca 0.30 0.07 0.25 0.00 0.00 0.00 0.00 54.91 55.53 2dmx h ALA 49 Cb 0.53 0.25 -0.14 0.00 0.00 0.00 0.00 17.79 18.42 2dmx h ALA 49 CO -0.89 -0.54 0.27 1.49 0.00 0.00 0.00 179.25 179.57 2dmx h GLU 50 N -0.11 0.21 0.15 0.00 4.22 0.63 0.25 114.58 119.92 2dmx h GLU 50 Ca 0.10 -0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.54 2dmx h GLU 50 Cb 0.26 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2dmx h GLU 50 CO -0.24 0.14 -0.26 -0.22 -2.18 0.00 0.00 179.01 176.25 2dmx h LYS 51 N 0.21 -0.47 -0.99 1.92 1.63 -0.72 -1.95 116.57 116.20 2dmx h LYS 51 Ca 0.58 0.03 0.19 0.00 -0.85 0.00 0.00 60.65 60.60 2dmx h LYS 51 Cb 1.19 0.11 -0.10 0.00 -0.60 0.00 0.00 32.23 32.83 2dmx h LYS 51 CO -0.66 -0.31 0.61 0.87 -3.45 0.00 0.00 179.45 176.51 2dmx h LYS 52 N -0.49 0.70 -0.95 1.90 1.79 -0.86 0.10 116.57 118.76 2dmx h LYS 52 Ca 0.02 -0.04 0.09 0.00 -2.18 0.00 0.00 60.65 58.54 2dmx h LYS 52 Cb 0.50 -0.16 -0.07 0.00 -1.58 0.00 0.00 32.23 30.92 2dmx h LYS 52 CO -0.13 0.46 0.61 0.35 -1.08 0.00 0.00 179.45 179.66 2dmx h PHE 53 N 0.72 1.07 -0.25 -1.35 3.04 -0.70 -0.57 116.94 118.89 2dmx h PHE 53 Ca 0.56 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 62.42 2dmx h PHE 53 Cb 0.93 -0.34 -0.01 0.00 2.56 0.00 0.00 35.95 39.09 2dmx h PHE 53 CO -0.00 0.50 -0.35 -0.22 -2.02 0.00 0.00 178.31 176.21 2dmx h LYS 54 N 0.99 0.55 0.34 1.11 1.63 -0.59 -2.67 116.57 117.93 2dmx h LYS 54 Ca 0.44 -0.26 -0.02 0.00 -0.85 0.00 0.00 60.65 59.96 2dmx h LYS 54 Cb 0.35 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 2dmx h LYS 54 CO -0.19 0.83 -0.16 -0.07 -3.45 0.00 0.00 179.45 176.40 2dmx h LEU 55 N 0.46 -0.38 -2.12 5.20 3.38 -0.82 -1.43 115.31 119.60 2dmx h LEU 55 Ca 0.05 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 57.94 2dmx h LEU 55 Cb 0.83 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2dmx h LEU 55 CO 0.07 -0.00 0.29 1.62 0.09 0.00 0.00 178.44 180.51 2dmx h VAL 56 N -0.83 0.45 0.15 1.22 3.04 -1.20 0.21 116.25 119.30 2dmx h VAL 56 Ca -0.05 0.00 -0.29 0.00 -1.01 0.00 0.00 66.70 65.35 2dmx h VAL 56 Cb 0.52 0.77 0.01 0.00 -2.01 0.00 0.00 31.29 30.58 2dmx h VAL 56 CO 0.08 0.00 -1.36 0.77 -1.01 0.00 0.00 177.57 176.05 2dmx h SER 57 N 0.00 0.51 0.06 3.17 4.64 -1.31 -2.62 113.55 118.00 2dmx h SER 57 Ca 0.13 -0.57 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2dmx h SER 57 Cb 0.72 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2dmx h SER 57 CO -0.00 1.46 -0.03 -0.08 -0.87 0.00 0.00 176.83 177.30 2dmx h GLU 58 N 0.09 -0.08 -0.63 4.77 4.57 0.15 -3.28 114.58 120.18 2dmx h GLU 58 Ca -0.18 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.02 2dmx h GLU 58 Cb 2.03 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 30.60 2dmx h GLU 58 CO 0.21 0.51 0.40 0.00 -1.18 0.00 0.00 179.01 178.96 2dmx h ALA 59 N -0.17 0.80 -0.89 2.92 0.00 -0.86 -1.32 119.26 119.75 2dmx h ALA 59 Ca -0.01 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.10 2dmx h ALA 59 Cb 0.63 -0.23 -0.13 0.00 0.00 0.00 0.00 17.79 18.06 2dmx h ALA 59 CO 0.01 0.18 0.34 -0.92 0.00 0.00 0.00 179.25 178.87 2dmx h TYR 60 N 0.81 0.55 0.00 0.00 3.20 -1.58 -1.40 116.97 118.55 2dmx h TYR 60 Ca 0.24 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 2dmx h TYR 60 Cb -0.05 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.12 2dmx h TYR 60 CO -0.04 -0.11 -0.05 0.93 -1.64 0.00 0.00 178.16 177.25 2dmx h GLU 61 N 0.32 0.03 -1.41 1.82 4.39 -1.49 -1.40 114.58 116.83 2dmx h GLU 61 Ca 0.56 -0.03 0.46 0.00 0.34 0.00 0.00 59.36 60.69 2dmx h GLU 61 Cb 1.11 0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 29.65 2dmx h GLU 61 CO -0.58 0.86 0.93 0.28 -1.16 0.00 0.00 179.01 179.35 2dmx h VAL 62 N -0.79 0.10 0.10 3.13 2.07 -0.22 0.30 116.25 120.93 2dmx h VAL 62 Ca -0.01 -0.02 -0.37 0.00 0.82 0.00 0.00 66.70 67.12 2dmx h VAL 62 Cb 0.88 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 2dmx h VAL 62 CO 0.01 0.01 -2.10 0.18 0.02 0.00 0.00 177.57 175.69 2dmx n LEU 63 N -4.58 2.71 -0.33 2.57 4.77 -0.72 -0.40 117.00 121.02 2dmx n LEU 63 Ca 0.38 0.13 0.11 0.00 -0.03 0.00 0.00 56.01 56.60 2dmx n LEU 63 Cb 1.52 -1.07 0.29 0.00 -2.33 0.00 0.00 43.42 41.83 2dmx n LEU 63 CO 0.24 0.87 1.15 -1.28 -1.33 0.00 0.00 177.39 177.04 2dmx h SER 64 N 0.04 0.66 -3.74 -1.43 0.87 0.66 -3.40 113.55 107.20 2dmx h SER 64 Ca -0.46 0.10 -0.49 0.00 -1.23 0.00 0.00 61.79 59.71 2dmx h SER 64 Cb 1.99 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.93 2dmx h SER 64 CO 0.04 0.23 0.34 -1.81 -0.53 0.00 0.00 176.83 175.11 2dmx s ASP 65 N -5.39 7.63 0.14 6.23 1.11 -0.08 -4.97 116.67 121.34 2dmx s ASP 65 Ca -0.12 1.94 -0.10 0.00 0.18 0.00 0.00 52.55 54.45 2dmx s ASP 65 Cb 0.24 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.58 2dmx s ASP 65 CO 0.79 0.16 1.43 -1.28 1.18 0.00 0.00 175.17 177.46 2dmx h SER 66 N 4.14 0.92 0.12 0.27 0.87 -1.89 0.98 113.55 118.96 2dmx h SER 66 Ca -0.45 -0.48 -0.01 0.00 -1.23 0.00 0.00 61.79 59.62 2dmx h SER 66 Cb 1.20 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 2dmx h SER 66 CO 0.68 1.27 -0.06 0.07 -0.53 0.00 0.00 176.83 178.26 2dmx h LYS 67 N 0.64 -0.15 -0.23 2.24 2.10 -1.93 -1.60 116.57 117.64 2dmx h LYS 67 Ca 0.02 0.01 -0.07 0.00 -2.00 0.00 0.00 60.65 58.61 2dmx h LYS 67 Cb 1.12 0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.48 2dmx h LYS 67 CO 0.12 0.05 -0.13 0.87 -2.00 0.00 0.00 179.45 178.36 2dmx h LYS 68 N -0.34 0.49 0.04 0.07 1.57 -1.76 -1.15 116.57 115.49 2dmx h LYS 68 Ca -0.02 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.57 2dmx h LYS 68 Cb 0.28 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 2dmx h LYS 68 CO 0.03 0.77 -0.41 -0.09 -0.57 0.00 0.00 179.45 179.17 2dmx h ARG 69 N 0.20 -0.57 -0.37 3.15 9.65 0.19 0.31 114.38 126.94 2dmx h ARG 69 Ca 0.05 0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.95 2dmx h ARG 69 Cb 0.63 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.33 2dmx h ARG 69 CO 0.04 -0.38 0.17 0.77 2.80 0.00 0.00 179.97 183.36 2dmx h SER 70 N -0.60 0.49 -0.82 -3.80 0.02 -1.34 -2.73 113.55 104.77 2dmx h SER 70 Ca 0.04 -0.13 0.09 0.00 -0.84 0.00 0.00 61.79 60.95 2dmx h SER 70 Cb 0.66 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 63.00 2dmx h SER 70 CO -0.29 0.49 0.47 -0.07 -1.14 0.00 0.00 176.83 176.29 2dmx h LEU 71 N 0.45 0.68 -1.20 5.07 3.38 -0.78 -0.70 115.31 122.22 2dmx h LEU 71 Ca 0.13 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2dmx h LEU 71 Cb 0.13 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2dmx h LEU 71 CO -0.01 0.39 0.44 0.22 0.09 0.00 0.00 178.44 179.57 2dmx h TYR 72 N 0.80 0.96 0.58 1.13 3.20 -0.12 0.18 116.97 123.69 2dmx h TYR 72 Ca 0.39 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.24 2dmx h TYR 72 Cb 0.35 -0.32 0.01 0.00 1.54 0.00 0.00 36.73 38.31 2dmx h TYR 72 CO -0.06 0.64 -0.28 0.22 -1.64 0.00 0.00 178.16 177.04 2dmx h ASP 73 N 1.01 -0.65 -0.58 -2.11 1.82 -0.89 0.62 116.42 115.64 2dmx h ASP 73 Ca 0.26 0.01 0.06 0.00 -0.39 0.00 0.00 57.03 56.97 2dmx h ASP 73 Cb -0.05 0.17 -0.05 0.00 0.68 0.00 0.00 39.33 40.08 2dmx h ASP 73 CO -0.05 -0.25 0.28 0.08 -1.61 0.00 0.00 179.24 177.69 2dmx h ARG 74 N -1.19 0.51 -0.31 0.28 0.11 -1.18 -2.41 114.38 110.19 2dmx h ARG 74 Ca -0.08 -0.03 -0.15 0.00 0.10 0.00 0.00 59.98 59.82 2dmx h ARG 74 Cb 0.61 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 31.57 2dmx h ARG 74 CO 0.13 0.34 -0.38 0.00 0.10 0.00 0.00 179.97 180.16 2dmx h ALA 75 N 1.33 0.46 -2.16 0.08 0.00 -0.71 -0.33 119.26 117.93 2dmx h ALA 75 Ca 0.27 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2dmx h ALA 75 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2dmx h ALA 75 CO -0.20 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.01 2dmx n GLY 76 N 0.22 0.00 0.07 0.00 0.00 0.22 -4.35 105.19 101.35 2dmx n GLY 76 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 -5.84 -0.58 0.41 0.00 1.01 -1.18 -5.11 116.67 105.38 2dmx s ASP 78 Ca -0.16 0.64 -0.05 0.00 0.71 0.00 0.00 52.55 53.69 2dmx s ASP 78 Cb 0.02 0.55 -0.04 0.00 1.01 0.00 0.00 42.92 44.46 2dmx s ASP 78 CO 0.25 -0.56 0.70 -0.94 0.21 0.00 0.00 175.17 174.83 2dmx s SER 79 N -1.12 6.36 0.14 0.27 1.04 -0.14 -4.39 113.70 115.87 2dmx s SER 79 Ca -0.11 0.86 -0.25 0.00 0.48 0.00 0.00 55.95 56.93 2dmx s SER 79 Cb -0.01 -2.21 -0.00 0.00 0.10 0.00 0.00 66.02 63.89 2dmx s SER 79 CO 0.08 -0.42 1.60 -0.25 0.98 0.00 0.00 173.24 175.24 2dmx h TRP 80 N 0.82 -0.93 -0.91 5.02 7.01 -1.96 -2.17 115.95 122.83 2dmx h TRP 80 Ca -0.48 0.05 0.13 0.00 2.11 0.00 0.00 58.89 60.70 2dmx h TRP 80 Cb 1.20 0.44 -0.14 0.00 -2.10 0.00 0.00 29.16 28.56 2dmx h TRP 80 CO 0.58 -0.40 -0.38 0.54 -2.79 0.00 0.00 178.44 175.98 2dmx n ARG 81 N -5.41 -0.24 -3.43 2.65 1.74 -1.26 -4.81 116.66 105.89 2dmx n ARG 81 Ca -0.02 1.39 -0.20 0.00 -0.77 0.00 0.00 57.85 58.25 2dmx n ARG 81 Cb 0.33 -2.06 0.07 0.00 -1.02 0.00 0.00 32.46 29.78 2dmx n ARG 81 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dmx n ALA 82 N -3.49 -1.23 -2.68 7.54 0.00 -0.82 -4.91 120.51 114.92 2dmx n ALA 82 Ca 0.08 0.30 -0.05 0.00 0.00 0.00 0.00 53.44 53.77 2dmx n ALA 82 Cb 0.34 -4.53 0.10 0.00 0.00 0.00 0.00 19.45 15.36 2dmx n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dmx n GLY 83 N -1.73 1.08 0.00 0.00 0.00 -1.26 -5.11 105.19 98.18 2dmx n GLY 83 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.78 0.46 0.00 -0.02 0.00 -1.26 -5.14 105.19 98.45 2dmx n GLY 84 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 5.00 -0.16 3.68 -0.02 0.00 -1.26 -5.14 105.19 107.29 2dmx n GLY 85 Ca 0.00 0.77 -0.42 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 3.45 0.35 4.61 0.00 -1.26 -5.04 121.76 123.87 2dmx s ALA 86 Ca 0.00 0.16 -0.22 0.00 0.00 0.00 0.00 51.96 51.90 2dmx s ALA 86 Cb 0.00 -3.27 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 2dmx s ALA 86 CO 0.00 -0.57 0.89 -1.54 0.00 0.00 0.00 175.76 174.54 2dmx s SER 87 N 1.10 7.07 0.00 0.00 1.04 -1.26 -4.91 113.70 116.73 2dmx s SER 87 Ca 0.42 1.64 0.00 0.00 0.48 0.00 0.00 55.95 58.49 2dmx s SER 87 Cb -0.17 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2dmx s SER 87 CO 0.15 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.80 2dmx n GLY 88 N 0.00 -0.47 3.77 7.32 0.00 -1.26 -5.16 105.19 109.39 2dmx n GLY 88 Ca 0.03 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2dmx n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmx s PRO 89 N 0.00 2.45 -0.57 1.61 0.04 -1.26 -4.97 135.00 132.30 2dmx s PRO 89 Ca 0.00 1.25 -0.25 0.00 0.04 0.00 0.00 61.00 62.03 2dmx s PRO 89 Cb 0.00 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.66 2dmx s PRO 89 CO 0.00 -1.50 1.02 0.45 0.04 0.00 0.00 177.00 177.01 2dmx s SER 90 N -3.11 6.35 0.50 6.66 0.15 -1.26 -4.88 113.70 118.11 2dmx s SER 90 Ca 0.63 -0.27 0.22 0.00 0.70 0.00 0.00 55.95 57.23 2dmx s SER 90 Cb -0.18 -2.47 1.32 0.00 -1.71 0.00 0.00 66.02 62.98 2dmx s SER 90 CO 0.51 -1.33 2.07 0.77 1.20 0.00 0.00 173.24 176.46 2dmx h SER 91 N 9.42 0.00 0.00 5.45 4.64 -2.08 -3.58 113.55 127.40 2dmx h SER 91 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2dmx h SER 91 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2dmx h SER 91 CO 1.13 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 177.82