#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 3.44 0.17 1.61 0.01 -1.26 -5.06 113.70 112.61 2dmx s SER 2 Ca 0.00 -0.62 -0.23 0.00 1.31 0.00 0.00 55.95 56.41 2dmx s SER 2 Cb 0.00 -0.35 0.06 0.00 0.21 0.00 0.00 66.02 65.94 2dmx s SER 2 CO 0.00 0.22 0.64 -0.55 0.41 0.00 0.00 173.24 173.96 2dmx s SER 3 N -1.72 -0.50 0.34 2.44 0.15 -1.26 -5.18 113.70 107.97 2dmx s SER 3 Ca 0.14 -0.11 0.07 0.00 0.70 0.00 0.00 55.95 56.75 2dmx s SER 3 Cb -0.10 0.61 -0.01 0.00 -1.71 0.00 0.00 66.02 64.81 2dmx s SER 3 CO 0.05 -1.01 0.46 -0.83 1.20 0.00 0.00 173.24 173.11 2dmx s GLY 4 N -2.76 1.63 -0.13 9.45 0.00 -1.26 -4.83 107.32 109.41 2dmx s GLY 4 Ca 0.03 -1.48 -0.00 0.00 0.00 0.00 0.00 44.72 43.26 2dmx s GLY 4 CO -0.09 -1.40 -0.07 -0.45 0.00 0.00 0.00 173.10 171.09 2dmx s SER 5 N -4.17 2.38 -0.13 1.64 0.15 -1.26 -4.88 113.70 107.42 2dmx s SER 5 Ca 0.45 -0.41 0.02 0.00 0.70 0.00 0.00 55.95 56.71 2dmx s SER 5 Cb -0.09 -0.88 0.00 0.00 -1.71 0.00 0.00 66.02 63.34 2dmx s SER 5 CO 0.31 -0.13 -0.19 -0.55 1.20 0.00 0.00 173.24 173.87 2dmx s SER 6 N 1.68 3.37 0.36 5.45 0.15 -1.26 -4.83 113.70 118.61 2dmx s SER 6 Ca 0.04 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.17 2dmx s SER 6 Cb -0.13 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.69 2dmx s SER 6 CO -0.08 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2dmx n GLY 7 N 3.86 -2.21 0.64 9.45 0.00 -1.26 -4.00 105.19 111.68 2dmx n GLY 7 Ca -0.19 -1.19 0.01 0.00 0.00 0.00 0.00 46.02 44.66 2dmx n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2dmx n MET 8 N -3.91 1.60 -3.63 1.61 0.00 -1.26 -4.78 117.12 106.76 2dmx n MET 8 Ca -0.01 -0.53 -0.15 0.00 -0.00 0.00 0.00 57.70 57.01 2dmx n MET 8 Cb 0.57 -1.53 -0.07 0.00 0.00 0.00 0.00 33.22 32.18 2dmx n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2dmx s ALA 9 N -1.41 -1.53 -0.44 -5.12 0.00 -1.26 -5.13 121.76 106.87 2dmx s ALA 9 Ca 0.09 1.48 -0.12 0.00 0.00 0.00 0.00 51.96 53.41 2dmx s ALA 9 Cb 0.07 -0.61 0.07 0.00 0.00 0.00 0.00 23.12 22.65 2dmx s ALA 9 CO 0.03 -0.31 0.32 -0.80 0.00 0.00 0.00 175.76 175.00 2dmx s ASN 10 N -0.29 5.89 0.23 0.00 0.01 -1.26 -4.78 114.94 114.74 2dmx s ASN 10 Ca -0.05 -1.39 -0.07 0.00 -0.71 0.00 0.00 52.86 50.64 2dmx s ASN 10 Cb -0.03 -2.08 0.38 0.00 0.41 0.00 0.00 41.25 39.92 2dmx s ASN 10 CO 0.04 -0.58 1.32 -1.22 -1.51 0.00 0.00 177.10 175.15 2dmx n TYR 11 N 5.06 0.29 -0.12 2.20 4.01 -1.26 0.12 117.16 127.46 2dmx n TYR 11 Ca -0.11 1.04 -0.05 0.00 -0.16 0.00 0.00 57.90 58.61 2dmx n TYR 11 Cb 0.43 -0.98 0.03 0.00 -0.31 0.00 0.00 39.34 38.51 2dmx n TYR 11 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 2dmx h TYR 12 N 0.00 0.19 0.06 -0.72 0.05 -1.93 -2.18 116.97 112.44 2dmx h TYR 12 Ca 0.40 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 59.20 2dmx h TYR 12 Cb 0.61 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.33 2dmx h TYR 12 CO -0.66 0.06 -0.03 0.93 -1.05 0.00 0.00 178.16 177.41 2dmx h GLU 13 N 0.25 -0.08 -0.76 4.88 4.39 0.70 0.39 114.58 124.36 2dmx h GLU 13 Ca 0.19 0.01 0.15 0.00 0.34 0.00 0.00 59.36 60.04 2dmx h GLU 13 Cb 0.20 0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 28.72 2dmx h GLU 13 CO -0.22 0.17 -0.23 0.28 -1.16 0.00 0.00 179.01 177.86 2dmx h VAL 14 N -0.32 0.21 0.04 3.13 2.07 -0.27 -1.01 116.25 120.10 2dmx h VAL 14 Ca -0.01 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.27 2dmx h VAL 14 Cb 0.28 0.21 0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2dmx h VAL 14 CO 0.01 0.00 -0.96 -0.07 0.02 0.00 0.00 177.57 176.57 2dmx h LEU 15 N -0.03 0.77 -0.30 2.57 3.38 -1.35 -3.48 115.31 116.87 2dmx h LEU 15 Ca 0.35 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2dmx h LEU 15 Cb 0.56 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2dmx h LEU 15 CO -0.79 1.46 0.00 0.61 0.09 0.00 0.00 178.44 179.81 2dmx n GLY 16 N 1.20 0.65 3.46 0.83 0.00 0.13 -4.94 105.19 106.52 2dmx n GLY 16 Ca -0.12 -0.10 -0.23 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 -1.63 0.59 0.48 1.61 -7.23 -0.79 -5.03 120.40 108.40 2dmx s VAL 17 Ca 0.00 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 2dmx s VAL 17 Cb 0.00 -2.44 0.02 0.00 0.56 0.00 0.00 36.38 34.51 2dmx s VAL 17 CO 0.00 0.00 0.69 -1.10 -0.31 0.00 0.00 175.10 174.38 2dmx s GLN 18 N -3.74 2.78 0.28 4.82 -1.52 -1.26 -4.64 119.66 116.37 2dmx s GLN 18 Ca 0.29 -0.80 0.08 0.00 -1.95 0.00 0.00 55.36 52.98 2dmx s GLN 18 Cb 0.04 -2.58 0.39 0.00 -0.22 0.00 0.00 33.01 30.63 2dmx s GLN 18 CO 0.16 -0.45 1.64 0.00 -0.25 0.00 0.00 175.29 176.38 2dmx h ALA 19 N 0.33 1.01 -0.54 6.09 0.00 -2.02 -2.90 119.26 121.23 2dmx h ALA 19 Ca -0.43 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 53.98 2dmx h ALA 19 Cb 1.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2dmx h ALA 19 CO 0.52 0.69 0.00 0.43 0.00 0.00 0.00 179.25 180.89 2dmx n SER 20 N -3.90 5.05 -4.75 0.00 7.64 -1.26 -5.00 113.62 111.40 2dmx n SER 20 Ca -0.02 -2.76 -0.32 0.00 1.01 0.00 0.00 58.87 56.78 2dmx n SER 20 Cb 0.57 -0.61 0.09 0.00 -1.01 0.00 0.00 64.21 63.24 2dmx n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dmx s ALA 21 N -2.42 2.19 0.60 -0.43 0.00 -1.10 -5.00 121.76 115.60 2dmx s ALA 21 Ca 0.51 0.55 -0.16 0.00 0.00 0.00 0.00 51.96 52.86 2dmx s ALA 21 Cb 0.37 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 2dmx s ALA 21 CO 0.18 -1.75 1.07 -1.12 0.00 0.00 0.00 175.76 174.13 2dmx s SER 22 N -2.69 5.69 0.23 0.00 0.01 -1.26 -4.93 113.70 110.74 2dmx s SER 22 Ca 0.67 1.86 0.22 0.00 1.31 0.00 0.00 55.95 60.01 2dmx s SER 22 Cb -0.22 -2.54 0.94 0.00 0.21 0.00 0.00 66.02 64.41 2dmx s SER 22 CO 0.49 -1.23 1.68 -0.81 0.41 0.00 0.00 173.24 173.77 2dmx n PRO 23 N -2.04 0.17 0.02 12.44 -0.04 -1.26 -2.40 135.00 141.88 2dmx n PRO 23 Ca 0.09 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 2dmx n PRO 23 Cb 0.53 -1.83 -0.10 0.00 -0.04 0.00 0.00 33.50 32.06 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 -2.15 0.63 0.09 0.54 0.28 -1.26 -3.57 120.64 115.21 2dmx n GLU 24 Ca 0.02 0.15 -0.04 0.00 -0.16 0.00 0.00 57.16 57.14 2dmx n GLU 24 Cb 0.22 -1.75 -0.02 0.00 1.43 0.00 0.00 31.44 31.32 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 0.00 0.23 -1.84 5.19 -1.86 -2.52 116.42 115.63 2dmx h ASP 25 Ca -0.19 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 55.96 2dmx h ASP 25 Cb 1.59 0.00 0.01 0.00 0.18 0.00 0.00 39.33 41.11 2dmx h ASP 25 CO 0.04 0.83 -1.08 0.40 -3.12 0.00 0.00 179.24 176.31 2dmx h ILE 26 N 0.00 1.35 -0.04 0.35 2.04 -1.67 -3.03 117.51 116.52 2dmx h ILE 26 Ca -0.01 -2.47 -0.02 0.00 1.00 0.00 0.00 64.86 63.36 2dmx h ILE 26 Cb 1.54 2.54 -0.00 0.00 -0.74 0.00 0.00 36.82 40.16 2dmx h ILE 26 CO 0.11 0.74 -0.06 0.07 0.00 0.00 0.00 178.15 179.01 2dmx h LYS 27 N 0.27 0.11 -0.31 2.37 2.10 -1.61 -2.77 116.57 116.72 2dmx h LYS 27 Ca -0.13 -0.07 0.09 0.00 -2.00 0.00 0.00 60.65 58.55 2dmx h LYS 27 Cb 1.74 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 33.06 2dmx h LYS 27 CO 0.20 0.63 0.23 1.57 -2.00 0.00 0.00 179.45 180.08 2dmx h LYS 28 N -0.39 0.00 -0.13 0.07 2.10 -1.56 -1.43 116.57 115.22 2dmx h LYS 28 Ca 0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.51 2dmx h LYS 28 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 2dmx h LYS 28 CO 0.01 0.00 -0.46 0.00 -2.00 0.00 0.00 179.45 177.00 2dmx h ALA 29 N 1.83 0.24 -0.28 0.07 0.00 -1.45 -3.24 119.26 116.42 2dmx h ALA 29 Ca 0.15 -0.48 0.05 0.00 0.00 0.00 0.00 54.91 54.62 2dmx h ALA 29 Cb 0.62 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 2dmx h ALA 29 CO -0.00 0.38 -0.01 -0.92 0.00 0.00 0.00 179.25 178.70 2dmx h TYR 30 N 0.17 -0.04 -0.19 0.00 3.20 -0.98 0.17 116.97 119.32 2dmx h TYR 30 Ca -0.02 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.90 2dmx h TYR 30 Cb 1.09 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 39.36 2dmx h TYR 30 CO 0.11 -0.06 -0.46 0.00 -1.64 0.00 0.00 178.16 176.11 2dmx h ARG 31 N 0.07 -0.43 0.03 1.82 3.08 -1.55 0.25 114.38 117.65 2dmx h ARG 31 Ca 0.13 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2dmx h ARG 31 Cb 0.18 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 2dmx h ARG 31 CO -0.23 -0.28 -0.03 0.87 -1.07 0.00 0.00 179.97 179.23 2dmx h LYS 32 N -0.44 -0.06 -0.17 0.04 1.79 -1.54 -3.14 116.57 113.05 2dmx h LYS 32 Ca 0.04 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.54 2dmx h LYS 32 Cb 0.55 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 31.16 2dmx h LYS 32 CO -0.41 -0.04 -0.46 -0.07 -1.08 0.00 0.00 179.45 177.39 2dmx h LEU 33 N -0.06 -1.48 -0.79 2.94 3.38 -0.17 0.15 115.31 119.29 2dmx h LEU 33 Ca 0.00 0.18 0.18 0.00 0.09 0.00 0.00 57.88 58.33 2dmx h LEU 33 Cb 0.06 0.58 -0.15 0.00 0.09 0.00 0.00 40.66 41.24 2dmx h LEU 33 CO -0.01 -0.39 -0.13 0.00 0.09 0.00 0.00 178.44 178.00 2dmx n ALA 34 N -2.95 0.25 -0.04 1.53 0.00 0.85 0.23 120.51 120.38 2dmx n ALA 34 Ca -0.05 0.86 -0.09 0.00 0.00 0.00 0.00 53.44 54.16 2dmx n ALA 34 Cb 0.31 -0.55 0.06 0.00 0.00 0.00 0.00 19.45 19.27 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 0.74 0.24 0.00 6.46 -1.22 -1.77 115.31 119.75 2dmx h LEU 35 Ca 0.41 -0.34 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 2dmx h LEU 35 Cb 0.70 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 2dmx h LEU 35 CO -0.79 1.06 -0.11 -0.09 -0.62 0.00 0.00 178.44 177.89 2dmx h ARG 36 N 0.57 -0.31 -0.48 1.25 2.43 0.48 -2.36 114.38 115.96 2dmx h ARG 36 Ca 0.04 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2dmx h ARG 36 Cb 0.95 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 2dmx h ARG 36 CO 0.09 -0.12 0.00 0.91 -1.51 0.00 0.00 179.97 179.34 2dmx n TRP 37 N -5.18 0.32 -1.88 2.20 7.02 0.67 -4.90 117.44 115.69 2dmx n TRP 37 Ca -0.09 -0.13 -0.41 0.00 -1.02 0.00 0.00 57.50 55.85 2dmx n TRP 37 Cb 0.18 -0.08 -0.01 0.00 -2.42 0.00 0.00 31.31 28.98 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 -1.61 2.75 0.13 -5.99 2.46 -0.67 -4.14 115.29 108.22 2dmx s HIS 38 Ca 0.11 1.13 -0.12 0.00 0.47 0.00 0.00 55.06 56.65 2dmx s HIS 38 Cb 0.07 -3.95 -0.05 0.00 -0.13 0.00 0.00 32.58 28.52 2dmx s HIS 38 CO 0.06 -2.86 1.46 -1.00 -2.47 0.00 0.00 174.74 169.93 2dmx h PRO 39 N 3.64 0.89 -0.24 2.88 0.13 -1.85 -2.93 132.00 134.52 2dmx h PRO 39 Ca -0.49 -0.47 -0.03 0.00 -0.87 0.00 0.00 66.00 64.14 2dmx h PRO 39 Cb 1.23 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2dmx h PRO 39 CO 0.69 1.11 0.01 0.22 -0.23 0.00 0.00 178.00 179.80 2dmx h ASP 40 N 0.69 0.33 1.44 1.44 3.58 -1.92 -1.44 116.42 120.55 2dmx h ASP 40 Ca 0.06 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 2dmx h ASP 40 Cb 0.95 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.91 2dmx h ASP 40 CO 0.09 0.38 -0.08 0.11 -2.88 0.00 0.00 179.24 176.86 2dmx h LYS 41 N 0.35 0.00 -4.47 0.28 1.79 -1.86 -3.40 116.57 109.27 2dmx h LYS 41 Ca 0.08 0.00 -0.70 0.00 -2.18 0.00 0.00 60.65 57.85 2dmx h LYS 41 Cb 0.22 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 30.55 2dmx h LYS 41 CO 0.00 0.08 -0.52 -0.80 -1.08 0.00 0.00 179.45 177.14 2dmx s ASN 42 N -6.05 5.38 -0.02 0.86 0.01 -0.54 -4.97 114.94 109.61 2dmx s ASN 42 Ca 0.04 -1.82 -0.25 0.00 -0.71 0.00 0.00 52.86 50.11 2dmx s ASN 42 Cb 0.07 -1.88 -0.19 0.00 0.41 0.00 0.00 41.25 39.66 2dmx s ASN 42 CO 0.63 -0.54 1.20 1.55 -1.51 0.00 0.00 177.10 178.42 2dmx h PRO 43 N 8.19 -0.10 -0.48 -0.60 0.13 -1.78 -3.24 132.00 134.11 2dmx h PRO 43 Ca -0.17 0.01 0.05 0.00 -0.87 0.00 0.00 66.00 65.02 2dmx h PRO 43 Cb 1.06 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.13 2dmx h PRO 43 CO 0.72 0.35 -0.55 -0.44 -0.23 0.00 0.00 178.00 177.86 2dmx h ASP 44 N -0.59 -1.86 -3.57 1.44 5.19 -1.93 -3.37 116.42 111.73 2dmx h ASP 44 Ca -0.01 0.25 -0.60 0.00 -0.62 0.00 0.00 57.03 56.05 2dmx h ASP 44 Cb 0.50 0.77 -0.38 0.00 0.18 0.00 0.00 39.33 40.39 2dmx h ASP 44 CO 0.02 -0.37 -0.78 0.54 -3.12 0.00 0.00 179.24 175.53 2dmx s ASN 45 N -5.05 3.72 -0.22 6.45 4.22 -1.25 -4.99 114.94 117.82 2dmx s ASN 45 Ca -0.14 -1.14 -0.17 0.00 -2.14 0.00 0.00 52.86 49.28 2dmx s ASN 45 Cb 0.08 -1.09 -0.18 0.00 1.28 0.00 0.00 41.25 41.35 2dmx s ASN 45 CO 0.59 -0.25 0.06 0.29 -2.04 0.00 0.00 177.10 175.76 2dmx n LYS 46 N 4.73 0.60 0.09 3.55 5.02 -1.22 -3.90 118.16 127.02 2dmx n LYS 46 Ca -0.11 0.44 -0.13 0.00 -2.02 0.00 0.00 58.31 56.50 2dmx n LYS 46 Cb 0.44 -1.67 -0.07 0.00 -0.02 0.00 0.00 35.03 33.72 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 -0.84 -0.17 -0.40 1.97 4.57 -1.91 -0.67 114.58 117.14 2dmx h GLU 47 Ca -0.46 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 57.82 2dmx h GLU 47 Cb 1.49 0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 30.03 2dmx h GLU 47 CO -0.23 -0.11 -0.19 1.49 -1.18 0.00 0.00 179.01 178.79 2dmx h GLU 48 N -0.17 -0.11 -0.52 1.92 4.81 -1.99 -1.30 114.58 117.23 2dmx h GLU 48 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2dmx h GLU 48 Cb 0.15 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2dmx h GLU 48 CO -0.00 -0.07 0.33 0.00 -0.73 0.00 0.00 179.01 178.53 2dmx h ALA 49 N 1.18 0.66 -0.78 2.92 0.00 -1.63 -2.67 119.26 118.93 2dmx h ALA 49 Ca 0.20 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.23 2dmx h ALA 49 Cb 0.42 -0.21 -0.12 0.00 0.00 0.00 0.00 17.79 17.88 2dmx h ALA 49 CO -0.48 0.12 0.22 1.49 0.00 0.00 0.00 179.25 180.60 2dmx h GLU 50 N 0.70 0.28 -0.02 0.00 4.81 0.02 -1.47 114.58 118.90 2dmx h GLU 50 Ca 0.19 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 2dmx h GLU 50 Cb -0.05 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.21 2dmx h GLU 50 CO -0.04 0.18 -0.42 -0.22 -0.73 0.00 0.00 179.01 177.78 2dmx h LYS 51 N 0.28 -0.55 -0.96 1.92 1.63 -1.05 -0.81 116.57 117.03 2dmx h LYS 51 Ca 0.45 0.04 0.19 0.00 -0.85 0.00 0.00 60.65 60.48 2dmx h LYS 51 Cb 0.81 0.12 -0.09 0.00 -0.60 0.00 0.00 32.23 32.47 2dmx h LYS 51 CO -0.53 -0.36 0.61 0.87 -3.45 0.00 0.00 179.45 176.58 2dmx h LYS 52 N -0.57 0.62 -0.99 1.90 1.79 -1.31 0.15 116.57 118.16 2dmx h LYS 52 Ca 0.05 -0.04 0.21 0.00 -2.18 0.00 0.00 60.65 58.69 2dmx h LYS 52 Cb 0.65 -0.14 -0.11 0.00 -1.58 0.00 0.00 32.23 31.05 2dmx h LYS 52 CO -0.33 0.41 0.58 0.35 -1.08 0.00 0.00 179.45 179.38 2dmx h PHE 53 N 0.64 1.01 -0.20 -1.35 3.57 -0.58 0.29 116.94 120.32 2dmx h PHE 53 Ca 0.53 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.95 2dmx h PHE 53 Cb 0.98 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 2dmx h PHE 53 CO -0.00 0.16 -0.34 -0.22 -2.23 0.00 0.00 178.31 175.68 2dmx h LYS 54 N 0.68 0.42 0.19 1.11 3.64 -0.85 -2.58 116.57 119.18 2dmx h LYS 54 Ca 0.59 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.78 2dmx h LYS 54 Cb 0.99 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 2dmx h LYS 54 CO -0.42 0.71 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.30 2dmx h LEU 55 N 0.36 -0.22 -2.15 5.20 -0.00 -0.42 0.13 115.31 118.22 2dmx h LEU 55 Ca 0.04 -0.25 0.05 0.00 -0.00 0.00 0.00 57.88 57.72 2dmx h LEU 55 Cb 0.77 0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.48 2dmx h LEU 55 CO 0.06 0.15 0.15 1.62 -0.00 0.00 0.00 178.44 180.42 2dmx h VAL 56 N -0.63 0.70 0.04 1.22 3.04 -1.18 0.12 116.25 119.55 2dmx h VAL 56 Ca -0.03 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.57 2dmx h VAL 56 Cb 0.46 0.89 -0.00 0.00 -2.01 0.00 0.00 31.29 30.63 2dmx h VAL 56 CO 0.04 0.00 -0.45 0.28 -1.01 0.00 0.00 177.57 176.43 2dmx h SER 57 N 0.00 0.12 0.75 3.17 0.02 -1.30 -2.96 113.55 113.35 2dmx h SER 57 Ca 0.08 -0.91 -0.04 0.00 -0.84 0.00 0.00 61.79 60.09 2dmx h SER 57 Cb 0.37 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.88 2dmx h SER 57 CO -0.00 1.20 -0.36 -0.08 -1.14 0.00 0.00 176.83 176.44 2dmx h GLU 58 N -0.83 -0.97 -0.60 3.45 4.57 -0.26 -3.11 114.58 116.83 2dmx h GLU 58 Ca -0.10 0.07 0.11 0.00 -1.18 0.00 0.00 59.36 58.25 2dmx h GLU 58 Cb 1.23 0.22 -0.08 0.00 -0.16 0.00 0.00 28.75 29.96 2dmx h GLU 58 CO 0.00 -0.63 0.17 0.00 -1.18 0.00 0.00 179.01 177.37 2dmx h ALA 59 N -1.00 0.74 -0.94 2.92 0.00 -0.97 -0.89 119.26 119.12 2dmx h ALA 59 Ca -0.10 0.11 0.28 0.00 0.00 0.00 0.00 54.91 55.20 2dmx h ALA 59 Cb 0.79 0.13 -0.15 0.00 0.00 0.00 0.00 17.79 18.56 2dmx h ALA 59 CO 0.17 -0.27 0.35 -0.92 0.00 0.00 0.00 179.25 178.58 2dmx h TYR 60 N 0.31 0.54 0.08 0.00 3.20 -1.47 0.92 116.97 120.56 2dmx h TYR 60 Ca 0.31 0.05 -0.17 0.00 3.14 0.00 0.00 58.73 62.06 2dmx h TYR 60 Cb 0.44 -0.09 0.02 0.00 1.54 0.00 0.00 36.73 38.64 2dmx h TYR 60 CO -0.21 -0.25 -0.71 0.93 -1.64 0.00 0.00 178.16 176.28 2dmx h GLU 61 N 0.21 0.34 -1.03 1.82 4.39 -1.15 -1.33 114.58 117.83 2dmx h GLU 61 Ca 0.64 -0.47 0.26 0.00 0.34 0.00 0.00 59.36 60.13 2dmx h GLU 61 Cb 1.41 0.16 -0.09 0.00 -0.10 0.00 0.00 28.75 30.13 2dmx h GLU 61 CO -0.68 1.18 0.67 0.28 -1.16 0.00 0.00 179.01 179.30 2dmx h VAL 62 N -0.28 0.54 0.07 3.13 2.07 0.33 -1.27 116.25 120.83 2dmx h VAL 62 Ca -0.11 -0.13 -0.28 0.00 0.82 0.00 0.00 66.70 67.00 2dmx h VAL 62 Cb 1.50 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2dmx h VAL 62 CO 0.14 0.07 -1.48 -0.07 0.02 0.00 0.00 177.57 176.25 2dmx h LEU 63 N 0.39 0.22 -0.88 2.57 3.38 -1.15 -0.50 115.31 119.35 2dmx h LEU 63 Ca 0.58 -0.74 0.23 0.00 0.09 0.00 0.00 57.88 58.04 2dmx h LEU 63 Cb 1.48 -0.07 -0.14 0.00 0.09 0.00 0.00 40.66 42.01 2dmx h LEU 63 CO -0.28 1.62 0.19 0.77 0.09 0.00 0.00 178.44 180.84 2dmx h SER 64 N -0.51 -0.08 -4.25 -0.43 4.64 -0.43 -3.41 113.55 109.08 2dmx h SER 64 Ca -0.35 0.21 -0.51 0.00 -0.47 0.00 0.00 61.79 60.67 2dmx h SER 64 Cb 1.62 0.30 0.13 0.00 -0.31 0.00 0.00 62.40 64.14 2dmx h SER 64 CO -0.05 -0.18 0.30 -0.62 -0.87 0.00 0.00 176.83 175.41 2dmx s ASP 65 N -5.08 4.26 -0.16 4.97 -1.08 -0.56 -5.00 116.67 114.03 2dmx s ASP 65 Ca -0.12 1.72 -0.11 0.00 -0.52 0.00 0.00 52.55 53.52 2dmx s ASP 65 Cb 0.26 -2.42 -0.23 0.00 -1.46 0.00 0.00 42.92 39.07 2dmx s ASP 65 CO 0.77 -2.17 0.25 -1.20 0.52 0.00 0.00 175.17 173.34 2dmx n SER 66 N -3.60 2.03 0.03 -0.34 7.64 -1.26 -3.17 113.62 114.95 2dmx n SER 66 Ca 0.08 0.25 -0.13 0.00 1.01 0.00 0.00 58.87 60.09 2dmx n SER 66 Cb 0.54 -0.86 -0.09 0.00 -1.01 0.00 0.00 64.21 62.78 2dmx n SER 66 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2dmx h LYS 67 N -0.29 -0.09 -0.51 1.43 2.10 -1.94 -1.97 116.57 115.29 2dmx h LYS 67 Ca -0.43 0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.22 2dmx h LYS 67 Cb 1.80 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 33.12 2dmx h LYS 67 CO -0.03 0.29 0.28 0.87 -2.00 0.00 0.00 179.45 178.86 2dmx h LYS 68 N -0.50 0.72 0.49 0.07 1.57 -1.78 0.30 116.57 117.43 2dmx h LYS 68 Ca -0.01 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2dmx h LYS 68 Cb 0.43 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2dmx h LYS 68 CO 0.02 0.56 -0.38 -0.09 -0.57 0.00 0.00 179.45 178.99 2dmx h ARG 69 N 0.68 -0.83 -0.28 3.15 9.65 -1.03 0.17 114.38 125.90 2dmx h ARG 69 Ca 0.18 0.06 0.02 0.00 -1.10 0.00 0.00 59.98 59.13 2dmx h ARG 69 Cb 0.06 0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 2dmx h ARG 69 CO -0.03 -0.55 0.14 0.77 2.80 0.00 0.00 179.97 183.10 2dmx h SER 70 N -0.86 0.21 -0.05 -3.80 0.02 -1.29 -2.87 113.55 104.91 2dmx h SER 70 Ca -0.05 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2dmx h SER 70 Cb 0.73 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.21 2dmx h SER 70 CO 0.00 0.16 -0.15 -0.07 -1.14 0.00 0.00 176.83 175.63 2dmx h LEU 71 N 0.29 -0.44 -0.90 5.07 3.38 -0.77 -1.83 115.31 120.11 2dmx h LEU 71 Ca 0.11 0.07 0.19 0.00 0.09 0.00 0.00 57.88 58.35 2dmx h LEU 71 Cb 0.03 0.20 -0.17 0.00 0.09 0.00 0.00 40.66 40.81 2dmx h LEU 71 CO -0.08 -0.20 -0.18 0.22 0.09 0.00 0.00 178.44 178.29 2dmx h TYR 72 N -0.22 -0.40 0.21 1.13 3.20 -0.43 0.15 116.97 120.62 2dmx h TYR 72 Ca 0.07 0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2dmx h TYR 72 Cb 0.31 0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.90 2dmx h TYR 72 CO -0.23 -0.38 -0.10 0.22 -1.64 0.00 0.00 178.16 176.03 2dmx h ASP 73 N 0.01 -0.24 -0.40 -2.11 1.82 -1.33 -3.18 116.42 110.98 2dmx h ASP 73 Ca 0.45 -0.15 0.08 0.00 -0.39 0.00 0.00 57.03 57.03 2dmx h ASP 73 Cb 0.73 0.06 -0.09 0.00 0.68 0.00 0.00 39.33 40.71 2dmx h ASP 73 CO -0.91 0.01 -0.27 0.03 -1.61 0.00 0.00 179.24 176.49 2dmx h ARG 74 N -0.49 -0.19 -0.98 0.28 3.08 -0.11 -1.83 114.38 114.13 2dmx h ARG 74 Ca -0.03 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.17 2dmx h ARG 74 Cb 0.37 0.04 -0.15 0.00 0.08 0.00 0.00 29.97 30.32 2dmx h ARG 74 CO 0.05 -0.13 -0.42 0.00 -1.07 0.00 0.00 179.97 178.40 2dmx n ALA 75 N -2.96 -0.21 -1.81 0.04 0.00 0.31 -4.37 120.51 111.51 2dmx n ALA 75 Ca 0.02 0.95 -0.41 0.00 0.00 0.00 0.00 53.44 53.99 2dmx n ALA 75 Cb 0.32 -0.38 -0.02 0.00 0.00 0.00 0.00 19.45 19.37 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 -3.35 2.17 0.31 0.00 0.00 -0.69 -4.99 107.32 100.76 2dmx s GLY 76 Ca -0.13 1.48 -0.18 0.00 0.00 0.00 0.00 44.72 45.89 2dmx s GLY 76 CO 0.68 2.46 0.69 0.00 0.00 0.00 0.00 173.10 176.93 2dmx s ASP 78 N -2.99 -0.47 0.29 0.00 2.15 -1.26 -4.59 116.67 109.80 2dmx s ASP 78 Ca 0.15 0.55 -0.05 0.00 0.43 0.00 0.00 52.55 53.62 2dmx s ASP 78 Cb -0.05 0.55 -0.05 0.00 -0.30 0.00 0.00 42.92 43.07 2dmx s ASP 78 CO 0.09 -0.48 0.56 -0.44 -0.17 0.00 0.00 175.17 174.73 2dmx s SER 79 N -1.00 6.45 -0.02 -0.34 0.01 -1.26 -5.03 113.70 112.49 2dmx s SER 79 Ca -0.10 0.73 -0.21 0.00 1.31 0.00 0.00 55.95 57.67 2dmx s SER 79 Cb -0.03 -2.15 -0.14 0.00 0.21 0.00 0.00 66.02 63.91 2dmx s SER 79 CO 0.06 -0.20 0.95 -0.50 0.41 0.00 0.00 173.24 173.96 2dmx h TRP 80 N 1.66 -0.38 -0.91 2.43 4.06 -2.02 -3.25 115.95 117.54 2dmx h TRP 80 Ca -0.48 -0.01 0.24 0.00 2.06 0.00 0.00 58.89 60.71 2dmx h TRP 80 Cb 1.19 0.13 -0.16 0.00 -1.00 0.00 0.00 29.16 29.31 2dmx h TRP 80 CO 0.58 -0.04 0.08 0.07 -3.56 0.00 0.00 178.44 175.57 2dmx h ARG 81 N -0.92 0.07 -6.56 0.49 0.11 -2.09 -3.38 114.38 102.10 2dmx h ARG 81 Ca -0.04 -0.00 -0.52 0.00 0.10 0.00 0.00 59.98 59.52 2dmx h ARG 81 Cb 0.51 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.55 2dmx h ARG 81 CO 0.07 0.05 0.25 0.00 0.10 0.00 0.00 179.97 180.44 2dmx s ALA 82 N -6.00 3.38 0.00 0.08 0.00 -1.23 -4.84 121.76 113.15 2dmx s ALA 82 Ca -0.13 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.29 2dmx s ALA 82 Cb 0.27 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.31 2dmx s ALA 82 CO 0.77 0.19 0.00 0.41 0.00 0.00 0.00 175.76 177.13 2dmx n GLY 83 N 1.78 0.27 0.00 0.00 0.00 -1.26 -4.66 105.19 101.33 2dmx n GLY 83 Ca -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2dmx n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmx n GLY 84 N 0.00 -1.10 0.00 -0.02 0.00 -1.26 -4.89 105.19 97.92 2dmx n GLY 84 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 2dmx n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmx n GLY 85 N 0.00 3.67 0.22 -0.02 0.00 -1.26 -5.01 105.19 102.79 2dmx n GLY 85 Ca 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 46.02 45.57 2dmx n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmx h ALA 86 N 1.00 0.69 -2.71 4.61 0.00 -2.04 -3.43 119.26 117.38 2dmx h ALA 86 Ca 0.00 0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.33 2dmx h ALA 86 Cb 0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 17.58 2dmx h ALA 86 CO 0.00 -0.03 -0.65 -1.54 0.00 0.00 0.00 179.25 177.03 2dmx s SER 87 N -5.55 4.79 0.00 0.00 1.04 -1.26 -4.85 113.70 107.87 2dmx s SER 87 Ca -0.13 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 55.87 2dmx s SER 87 Cb 0.14 -1.02 0.00 0.00 0.10 0.00 0.00 66.02 65.24 2dmx s SER 87 CO 0.74 0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.64 2dmx n GLY 88 N -0.33 0.54 0.00 7.32 0.00 -1.26 -4.38 105.19 107.09 2dmx n GLY 88 Ca -0.09 -2.18 0.06 0.00 0.00 0.00 0.00 46.02 43.81 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 0.49 0.09 1.61 -0.04 -1.26 -3.50 135.00 132.38 2dmx n PRO 89 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2dmx n PRO 89 Cb 0.00 -1.39 -0.07 0.00 -0.04 0.00 0.00 33.50 32.00 2dmx n PRO 89 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dmx h SER 90 N 0.00 -0.12 -1.20 3.54 0.87 -1.87 -3.44 113.55 111.33 2dmx h SER 90 Ca 0.00 0.01 -0.45 0.00 -1.23 0.00 0.00 61.79 60.11 2dmx h SER 90 Cb 0.00 0.03 0.02 0.00 -0.44 0.00 0.00 62.40 62.01 2dmx h SER 90 CO 0.00 -0.09 -0.21 -0.55 -0.53 0.00 0.00 176.83 175.45 2dmx s SER 91 N -5.07 5.39 0.00 6.23 0.15 -1.23 -5.17 113.70 114.01 2dmx s SER 91 Ca -0.14 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 55.90 2dmx s SER 91 Cb 0.06 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 2dmx s SER 91 CO 0.65 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.74