#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crg n SER 2 N 0.00 -1.14 -3.57 1.61 7.64 -1.26 -4.86 113.62 112.04 2crg n SER 2 Ca 0.00 -1.19 -0.11 0.00 1.01 0.00 0.00 58.87 58.57 2crg n SER 2 Cb 0.00 -1.52 -0.05 0.00 -1.01 0.00 0.00 64.21 61.63 2crg n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2crg s SER 3 N -3.40 -0.41 0.00 6.43 0.15 -1.26 -5.16 113.70 110.05 2crg s SER 3 Ca 0.62 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.71 2crg s SER 3 Cb -0.36 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 2crg s SER 3 CO 0.97 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.65 2crg n GLY 4 N 0.75 -0.63 1.41 9.45 0.00 -1.26 -5.04 105.19 109.88 2crg n GLY 4 Ca -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2crg n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2crg n SER 5 N 0.00 0.05 -4.41 1.61 2.88 -1.26 -5.08 113.62 107.40 2crg n SER 5 Ca 0.00 0.02 -0.37 0.00 -1.33 0.00 0.00 58.87 57.19 2crg n SER 5 Cb 0.00 -0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.50 2crg n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2crg n SER 6 N -2.85 -1.72 0.00 -3.46 7.64 -1.26 -4.83 113.62 107.13 2crg n SER 6 Ca 0.00 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.52 2crg n SER 6 Cb 0.27 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 2crg n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crg n GLY 7 N 1.92 2.32 4.01 0.23 0.00 -1.26 -5.11 105.19 107.31 2crg n GLY 7 Ca 0.10 -1.53 -0.20 0.00 0.00 0.00 0.00 46.02 44.39 2crg n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2crg s MET 8 N -5.03 2.33 0.33 1.61 1.00 -1.26 -5.08 119.30 113.20 2crg s MET 8 Ca 0.00 -1.36 -0.26 0.00 0.00 0.00 0.00 55.69 54.07 2crg s MET 8 Cb 0.00 -2.60 -0.09 0.00 0.00 0.00 0.00 34.83 32.14 2crg s MET 8 CO 0.00 -0.82 1.00 -1.83 0.00 0.00 0.00 175.02 173.37 2crg s GLU 9 N -4.69 4.49 -0.26 2.03 1.03 -1.26 -5.05 118.70 114.99 2crg s GLU 9 Ca 0.61 1.48 -0.00 0.00 0.03 0.00 0.00 54.97 57.08 2crg s GLU 9 Cb -0.07 -2.83 0.08 0.00 -0.80 0.00 0.00 34.13 30.51 2crg s GLU 9 CO 0.39 0.16 0.03 -2.00 -1.33 0.00 0.00 175.26 172.51 2crg s GLU 10 N -2.00 1.03 0.37 -4.83 2.12 -1.26 -5.13 118.70 109.00 2crg s GLU 10 Ca 0.51 -0.97 0.08 0.00 0.36 0.00 0.00 54.97 54.94 2crg s GLU 10 Cb -0.22 -2.31 -0.03 0.00 0.26 0.00 0.00 34.13 31.83 2crg s GLU 10 CO 0.28 -0.79 0.25 -1.58 -0.54 0.00 0.00 175.26 172.89 2crg s TRP 11 N 1.54 2.75 0.19 5.30 0.52 -1.26 -5.14 118.94 122.83 2crg s TRP 11 Ca 0.03 -0.42 0.10 0.00 0.02 0.00 0.00 56.10 55.83 2crg s TRP 11 Cb -0.18 -1.87 -0.04 0.00 -1.15 0.00 0.00 33.47 30.22 2crg s TRP 11 CO -0.14 0.15 -0.20 -1.12 0.02 0.00 0.00 176.95 175.66 2crg s SER 12 N -3.97 3.00 0.12 2.95 0.01 -1.26 -4.97 113.70 109.58 2crg s SER 12 Ca 0.42 -0.90 -0.24 0.00 1.31 0.00 0.00 55.95 56.55 2crg s SER 12 Cb -0.03 -0.20 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 2crg s SER 12 CO 0.25 0.01 1.31 0.00 0.41 0.00 0.00 173.24 175.22 2crg n ALA 13 N 0.11 -0.49 -0.28 1.44 0.00 -1.26 -0.07 120.51 119.96 2crg n ALA 13 Ca -0.11 0.65 -0.00 0.00 0.00 0.00 0.00 53.44 53.97 2crg n ALA 13 Cb 0.57 -0.04 0.06 0.00 0.00 0.00 0.00 19.45 20.05 2crg n ALA 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2crg h SER 14 N 0.00 -0.99 0.49 0.00 0.87 -1.99 0.28 113.55 112.20 2crg h SER 14 Ca 0.12 0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.91 2crg h SER 14 Cb 0.31 0.57 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 2crg h SER 14 CO -0.72 -0.28 -0.24 -0.33 -0.53 0.00 0.00 176.83 174.74 2crg h GLU 15 N -0.05 -0.63 -0.36 2.24 5.08 -0.89 -2.06 114.58 117.91 2crg h GLU 15 Ca 0.34 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.79 2crg h GLU 15 Cb 0.59 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.91 2crg h GLU 15 CO -0.82 -0.38 -0.46 0.00 -1.00 0.00 0.00 179.01 176.34 2crg h ALA 16 N -0.25 -0.68 0.00 3.43 0.00 0.77 -0.86 119.26 121.66 2crg h ALA 16 Ca -0.07 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2crg h ALA 16 Cb 0.54 1.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 2crg h ALA 16 CO 0.11 -0.91 -0.29 0.00 0.00 0.00 0.00 179.25 178.16 2crg n LEU 18 N -4.10 -0.79 -0.19 0.00 4.77 -0.78 -1.19 117.00 114.73 2crg n LEU 18 Ca -0.04 1.49 -0.05 0.00 -0.03 0.00 0.00 56.01 57.38 2crg n LEU 18 Cb 0.22 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 2crg n LEU 18 CO 0.07 -1.16 0.42 0.33 -1.33 0.00 0.00 177.39 175.71 2crg n PHE 19 N -4.73 -0.20 -0.32 -1.77 7.35 -0.36 0.66 117.46 118.09 2crg n PHE 19 Ca 0.01 0.57 0.13 0.00 -0.76 0.00 0.00 57.45 57.40 2crg n PHE 19 Cb 0.19 -0.50 0.27 0.00 0.35 0.00 0.00 39.48 39.79 2crg n PHE 19 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2crg h GLU 20 N 0.00 0.06 0.01 -4.13 5.08 -0.94 0.17 114.58 114.83 2crg h GLU 20 Ca 0.07 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2crg h GLU 20 Cb 0.19 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2crg h GLU 20 CO -0.43 0.04 -0.01 0.93 -1.00 0.00 0.00 179.01 178.54 2crg h GLU 21 N 0.06 -0.02 -0.71 2.33 4.39 0.63 -3.15 114.58 118.11 2crg h GLU 21 Ca 0.56 0.00 0.09 0.00 0.34 0.00 0.00 59.36 60.35 2crg h GLU 21 Cb 1.12 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.66 2crg h GLU 21 CO -0.83 0.26 -0.49 0.00 -1.16 0.00 0.00 179.01 176.78 2crg h ALA 22 N 0.70 -0.41 -0.34 3.43 0.00 0.24 1.24 119.26 124.12 2crg h ALA 22 Ca -0.00 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.12 2crg h ALA 22 Cb 0.28 1.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2crg h ALA 22 CO 0.00 -0.88 0.42 1.25 0.00 0.00 0.00 179.25 180.05 2crg h LEU 23 N -0.18 0.00 0.09 0.00 5.85 -1.40 0.47 115.31 120.15 2crg h LEU 23 Ca 0.18 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.57 2crg h LEU 23 Cb 0.54 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2crg h LEU 23 CO -0.77 0.00 -1.74 -0.33 -0.34 0.00 0.00 178.44 175.26 2crg h GLU 24 N 0.00 0.20 0.05 1.25 5.08 0.13 -3.09 114.58 118.19 2crg h GLU 24 Ca 0.16 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2crg h GLU 24 Cb 1.01 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2crg h GLU 24 CO -0.00 1.00 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.77 2crg h LYS 25 N 0.05 -0.06 0.00 2.33 3.64 0.26 -3.43 116.57 119.37 2crg h LYS 25 Ca -0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 2crg h LYS 25 Cb 2.02 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.86 2crg h LYS 25 CO 0.12 -0.04 -0.05 1.88 -2.27 0.00 0.00 179.45 179.09 2crg h TYR 26 N -0.65 0.00 0.00 1.91 0.05 -0.44 -3.51 116.97 114.33 2crg h TYR 26 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2crg h TYR 26 Cb 0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.79 2crg h TYR 26 CO 0.01 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.53 2crg n GLY 27 N 1.84 0.26 2.02 3.88 0.00 -1.09 -4.79 105.19 107.31 2crg n GLY 27 Ca -0.01 -1.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.10 2crg n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2crg n LYS 28 N 0.00 1.48 -3.60 1.61 4.76 -1.26 -4.48 118.16 116.67 2crg n LYS 28 Ca 0.00 -0.68 -0.29 0.00 -2.87 0.00 0.00 58.31 54.47 2crg n LYS 28 Cb 0.00 -1.78 -0.13 0.00 -1.84 0.00 0.00 35.03 31.29 2crg n LYS 28 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2crg s ASP 29 N 2.17 3.34 0.19 4.39 1.11 -1.26 -4.98 116.67 121.63 2crg s ASP 29 Ca 0.45 -2.41 -0.09 0.00 0.18 0.00 0.00 52.55 50.68 2crg s ASP 29 Cb 0.22 -0.74 0.11 0.00 1.07 0.00 0.00 42.92 43.58 2crg s ASP 29 CO 0.00 -0.29 1.73 -0.26 1.18 0.00 0.00 175.17 177.53 2crg h PHE 30 N 6.88 1.12 -0.04 4.23 0.04 -1.92 -3.15 116.94 124.09 2crg h PHE 30 Ca 0.02 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.68 2crg h PHE 30 Cb 0.95 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 2crg h PHE 30 CO 0.46 0.89 -0.05 -0.97 -0.60 0.00 0.00 178.31 178.05 2crg h ASN 31 N 1.02 -0.16 -0.75 2.17 -0.73 -1.93 0.27 115.58 115.47 2crg h ASN 31 Ca 0.22 0.02 0.12 0.00 1.87 0.00 0.00 56.30 58.54 2crg h ASN 31 Cb 0.30 0.07 -0.13 0.00 0.27 0.00 0.00 38.32 38.83 2crg h ASN 31 CO -0.01 -0.03 -0.36 0.44 -0.37 0.00 0.00 177.43 177.10 2crg h ASP 32 N -0.03 -1.28 0.08 1.15 5.19 -2.00 -0.30 116.42 119.24 2crg h ASP 32 Ca 0.01 0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 2crg h ASP 32 Cb 0.05 0.65 -0.02 0.00 0.18 0.00 0.00 39.33 40.19 2crg h ASP 32 CO -0.05 -0.30 -0.22 0.40 -3.12 0.00 0.00 179.24 175.95 2crg h ILE 33 N -0.10 0.00 -0.11 0.35 2.04 -1.32 0.19 117.51 118.56 2crg h ILE 33 Ca 0.27 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.16 2crg h ILE 33 Cb 0.57 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2crg h ILE 33 CO -0.80 0.00 0.62 -0.09 0.00 0.00 0.00 178.15 177.88 2crg h ARG 34 N -0.34 0.00 0.38 2.37 2.43 0.16 0.15 114.38 119.54 2crg h ARG 34 Ca -0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2crg h ARG 34 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2crg h ARG 34 CO -0.10 0.00 -0.18 0.37 -1.51 0.00 0.00 179.97 178.55 2crg h GLN 35 N 0.00 -0.49 0.00 0.20 5.75 0.79 -2.88 115.11 118.49 2crg h GLN 35 Ca 0.05 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 2crg h GLN 35 Cb 1.29 0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.95 2crg h GLN 35 CO -0.00 -0.33 -0.78 -0.25 -2.65 0.00 0.00 178.83 174.83 2crg n ASP 36 N -4.02 1.69 -0.27 -0.69 9.92 -0.56 -4.18 116.55 118.44 2crg n ASP 36 Ca -0.06 0.28 -0.07 0.00 -0.53 0.00 0.00 54.79 54.41 2crg n ASP 36 Cb 0.20 -0.65 -0.06 0.00 -0.64 0.00 0.00 41.12 39.96 2crg n ASP 36 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2crg n PHE 37 N -4.18 -0.28 -3.61 1.24 3.01 0.41 -3.75 117.46 110.30 2crg n PHE 37 Ca -0.11 0.79 -0.29 0.00 1.01 0.00 0.00 57.45 58.85 2crg n PHE 37 Cb 0.40 -0.53 -0.13 0.00 -0.01 0.00 0.00 39.48 39.21 2crg n PHE 37 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2crg s LEU 38 N -9.05 1.73 0.19 4.37 1.43 -0.77 -4.99 118.68 111.60 2crg s LEU 38 Ca -0.08 -2.10 -0.05 0.00 -1.03 0.00 0.00 54.13 50.88 2crg s LEU 38 Cb 0.07 -0.69 0.11 0.00 0.03 0.00 0.00 46.19 45.70 2crg s LEU 38 CO 0.39 -0.33 1.54 1.55 0.23 0.00 0.00 176.35 179.73 2crg h PRO 39 N 7.33 0.71 -0.30 1.29 0.13 -1.59 -3.20 132.00 136.36 2crg h PRO 39 Ca -0.04 -0.37 -0.17 0.00 -0.87 0.00 0.00 66.00 64.55 2crg h PRO 39 Cb 0.97 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 2crg h PRO 39 CO 0.40 0.99 -0.47 0.11 -0.23 0.00 0.00 178.00 178.80 2crg h TRP 40 N 0.58 1.05 -3.73 1.56 0.09 -1.93 -3.45 115.95 110.12 2crg h TRP 40 Ca 0.05 -0.36 -0.51 0.00 0.09 0.00 0.00 58.89 58.15 2crg h TRP 40 Cb 0.95 -0.21 0.21 0.00 0.08 0.00 0.00 29.16 30.20 2crg h TRP 40 CO 0.05 1.18 -0.18 1.63 0.09 0.00 0.00 178.44 181.20 2crg n LYS 41 N -4.07 -0.66 -3.70 0.12 4.76 -1.21 -5.02 118.16 108.38 2crg n LYS 41 Ca -0.04 -0.14 -0.20 0.00 -2.87 0.00 0.00 58.31 55.06 2crg n LYS 41 Cb 0.59 -2.12 -0.02 0.00 -1.84 0.00 0.00 35.03 31.64 2crg n LYS 41 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2crg s SER 42 N -2.33 5.82 0.09 4.39 0.01 -1.26 -4.96 113.70 115.46 2crg s SER 42 Ca 0.63 -0.23 -0.33 0.00 1.31 0.00 0.00 55.95 57.33 2crg s SER 42 Cb -0.22 -1.29 -0.15 0.00 0.21 0.00 0.00 66.02 64.57 2crg s SER 42 CO 0.63 -0.31 1.60 0.25 0.41 0.00 0.00 173.24 175.81 2crg h LEU 43 N 1.09 -1.07 -0.04 2.44 7.12 -1.95 -2.57 115.31 120.32 2crg h LEU 43 Ca -0.47 0.09 -0.05 0.00 0.13 0.00 0.00 57.88 57.58 2crg h LEU 43 Cb 1.25 0.35 0.00 0.00 -0.53 0.00 0.00 40.66 41.73 2crg h LEU 43 CO 0.56 -0.55 -0.15 0.74 -0.13 0.00 0.00 178.44 178.91 2crg h THR 44 N -0.83 1.46 -0.88 1.05 2.02 -1.98 -3.24 112.91 110.50 2crg h THR 44 Ca -0.04 -1.58 0.21 0.00 0.77 0.00 0.00 66.41 65.77 2crg h THR 44 Cb 0.73 2.38 -0.17 0.00 -1.74 0.00 0.00 68.15 69.36 2crg h THR 44 CO -0.05 0.43 -0.10 -1.20 0.37 0.00 0.00 175.52 174.97 2crg n SER 45 N -4.61 -0.21 -0.22 4.18 7.64 -1.21 0.21 113.62 119.40 2crg n SER 45 Ca -0.08 1.51 -0.06 0.00 1.01 0.00 0.00 58.87 61.25 2crg n SER 45 Cb 0.40 -0.50 0.10 0.00 -1.01 0.00 0.00 64.21 63.20 2crg n SER 45 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2crg h ILE 46 N 0.00 1.25 0.24 0.44 2.04 -1.51 -3.10 117.51 116.86 2crg h ILE 46 Ca 0.48 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 2crg h ILE 46 Cb 0.87 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2crg h ILE 46 CO -0.87 0.35 -0.11 0.40 0.00 0.00 0.00 178.15 177.92 2crg h ILE 47 N 1.00 0.79 -0.75 -0.67 2.04 0.23 -3.07 117.51 117.07 2crg h ILE 47 Ca 0.21 -0.11 0.12 0.00 1.00 0.00 0.00 64.86 66.08 2crg h ILE 47 Cb 0.34 0.85 -0.12 0.00 -0.74 0.00 0.00 36.82 37.15 2crg h ILE 47 CO -0.00 0.03 -0.29 -0.62 0.00 0.00 0.00 178.15 177.27 2crg n GLU 48 N -5.20 -0.17 -0.26 2.37 1.02 -0.22 0.15 120.64 118.33 2crg n GLU 48 Ca -0.09 1.16 0.05 0.00 -0.02 0.00 0.00 57.16 58.26 2crg n GLU 48 Cb 0.17 -1.73 0.16 0.00 -0.02 0.00 0.00 31.44 30.02 2crg n GLU 48 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2crg h TYR 49 N 0.00 -0.06 -0.46 -0.32 5.03 -1.61 -0.59 116.97 118.95 2crg h TYR 49 Ca 0.27 0.06 0.09 0.00 2.58 0.00 0.00 58.73 61.72 2crg h TYR 49 Cb 0.46 0.15 -0.10 0.00 1.55 0.00 0.00 36.73 38.78 2crg h TYR 49 CO -0.66 -0.24 -0.31 -0.92 -1.32 0.00 0.00 178.16 174.71 2crg h TYR 50 N 0.10 -0.87 -0.93 -3.82 3.20 0.12 0.10 116.97 114.87 2crg h TYR 50 Ca 0.41 0.06 0.28 0.00 3.14 0.00 0.00 58.73 62.62 2crg h TYR 50 Cb 0.72 0.45 -0.16 0.00 1.54 0.00 0.00 36.73 39.28 2crg h TYR 50 CO -0.43 -0.37 0.27 1.88 -1.64 0.00 0.00 178.16 177.87 2crg h TYR 51 N -0.21 0.39 0.00 -3.82 0.05 -1.02 0.99 116.97 113.34 2crg h TYR 51 Ca 0.20 0.05 -0.18 0.00 0.05 0.00 0.00 58.73 58.85 2crg h TYR 51 Cb 0.53 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 2crg h TYR 51 CO -0.56 -0.30 -0.83 1.98 -1.05 0.00 0.00 178.16 177.40 2crg h MET 52 N 0.15 0.10 -0.48 4.88 4.05 -0.89 -2.32 114.93 120.42 2crg h MET 52 Ca 0.62 -0.11 -0.10 0.00 -0.28 0.00 0.00 59.70 59.84 2crg h MET 52 Cb 1.36 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 32.17 2crg h MET 52 CO -0.73 0.87 -0.09 2.35 0.23 0.00 0.00 176.91 179.54 2crg h TRP 53 N 0.06 1.01 -0.01 1.39 7.01 0.31 -1.77 115.95 123.94 2crg h TRP 53 Ca -0.03 -0.21 -0.17 0.00 2.11 0.00 0.00 58.89 60.59 2crg h TRP 53 Cb 1.45 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 28.25 2crg h TRP 53 CO 0.01 0.98 -0.79 1.57 -2.79 0.00 0.00 178.44 177.43 2crg h LYS 54 N 0.75 0.13 -0.30 2.65 2.10 -0.53 -3.25 116.57 118.11 2crg h LYS 54 Ca 0.12 -0.12 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 2crg h LYS 54 Cb 0.64 0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.99 2crg h LYS 54 CO 0.04 0.85 -0.06 1.79 -2.00 0.00 0.00 179.45 180.07 2crg h THR 55 N 0.08 1.28 -2.05 0.07 1.35 -1.28 -3.45 112.91 108.90 2crg h THR 55 Ca -0.02 -1.08 -0.63 0.00 -0.55 0.00 0.00 66.41 64.13 2crg h THR 55 Cb 1.38 1.37 0.11 0.00 -1.73 0.00 0.00 68.15 69.28 2crg h THR 55 CO 0.11 0.35 -0.00 0.35 -0.25 0.00 0.00 175.52 176.08 2crg n THR 56 N -4.50 1.83 -0.82 6.82 -2.24 -0.68 -4.79 114.28 109.91 2crg n THR 56 Ca -0.03 -0.46 -0.08 0.00 -2.27 0.00 0.00 64.05 61.22 2crg n THR 56 Cb 0.31 -0.74 -0.11 0.00 -2.10 0.00 0.00 70.33 67.69 2crg n THR 56 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2crg n ASP 57 N 1.50 5.29 -4.43 3.42 -0.08 -1.26 -4.75 116.55 116.24 2crg n ASP 57 Ca 0.12 -2.46 -0.45 0.00 -1.51 0.00 0.00 54.79 50.50 2crg n ASP 57 Cb 0.29 -1.31 -0.02 0.00 2.34 0.00 0.00 41.12 42.42 2crg n ASP 57 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 2crg s ARG 58 N 0.61 3.70 -0.91 -0.67 6.06 -1.26 -4.33 118.95 122.15 2crg s ARG 58 Ca 0.42 -2.08 -0.04 0.00 -2.50 0.00 0.00 55.73 51.53 2crg s ARG 58 Cb 0.20 -4.83 0.00 0.00 0.06 0.00 0.00 34.95 30.38 2crg s ARG 58 CO -0.00 -1.66 0.78 0.98 -2.50 0.00 0.00 175.30 172.90 2crg n TYR 59 N 5.77 -1.86 -0.32 5.12 9.36 -1.26 -4.87 117.16 129.11 2crg n TYR 59 Ca 0.24 0.69 0.32 0.00 3.32 0.00 0.00 57.90 62.46 2crg n TYR 59 Cb 0.47 -3.89 0.58 0.00 -0.63 0.00 0.00 39.34 35.87 2crg n TYR 59 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 2crg n VAL 60 N -3.92 -0.40 -1.51 2.97 3.14 -1.26 -4.26 118.33 113.09 2crg n VAL 60 Ca -0.05 1.98 -0.41 0.00 -2.96 0.00 0.00 64.34 62.90 2crg n VAL 60 Cb 0.56 -3.21 -0.08 0.00 -1.06 0.00 0.00 33.84 30.05 2crg n VAL 60 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2crg n GLN 61 N -5.19 0.65 -1.10 1.45 6.02 -1.26 -4.83 117.38 113.12 2crg n GLN 61 Ca 0.37 0.05 -0.35 0.00 -0.01 0.00 0.00 57.00 57.06 2crg n GLN 61 Cb 1.28 -2.52 0.01 0.00 1.02 0.00 0.00 30.24 30.03 2crg n GLN 61 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2crg n GLN 62 N 8.66 0.00 -3.39 -1.09 7.27 -1.26 -4.91 117.38 122.66 2crg n GLN 62 Ca 0.49 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 57.20 2crg n GLN 62 Cb 0.29 -0.92 -0.06 0.00 2.41 0.00 0.00 30.24 31.97 2crg n GLN 62 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 2crg s LYS 63 N -1.07 3.97 -0.84 3.69 2.20 -1.26 -4.95 119.74 121.47 2crg s LYS 63 Ca 0.49 0.47 -0.22 0.00 -0.36 0.00 0.00 55.97 56.36 2crg s LYS 63 Cb -0.41 -3.00 -0.19 0.00 -1.51 0.00 0.00 37.83 32.73 2crg s LYS 63 CO 0.63 0.53 2.30 2.89 -0.36 0.00 0.00 175.35 181.34 2crg n ARG 64 N 1.00 0.39 -4.27 4.03 1.85 -1.26 -4.88 116.66 113.52 2crg n ARG 64 Ca -0.07 -0.71 -0.23 0.00 -1.00 0.00 0.00 57.85 55.84 2crg n ARG 64 Cb 0.52 -3.06 -0.07 0.00 -1.05 0.00 0.00 32.46 28.80 2crg n ARG 64 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2crg s SER 65 N 8.07 4.68 -0.45 2.89 0.15 -1.26 -5.10 113.70 122.68 2crg s SER 65 Ca 0.99 -0.59 0.03 0.00 0.70 0.00 0.00 55.95 57.07 2crg s SER 65 Cb -0.28 -0.92 0.16 0.00 -1.71 0.00 0.00 66.02 63.27 2crg s SER 65 CO 0.19 -0.01 0.32 -0.83 1.20 0.00 0.00 173.24 174.12 2crg s GLY 66 N -3.70 1.47 0.09 9.45 0.00 -1.26 -5.11 107.32 108.26 2crg s GLY 66 Ca 0.32 -2.58 -0.31 0.00 0.00 0.00 0.00 44.72 42.15 2crg s GLY 66 CO 0.21 1.87 1.37 2.56 0.00 0.00 0.00 173.10 179.11 2crg s PRO 67 N 0.06 4.33 0.67 2.90 0.04 -1.26 -5.01 135.00 136.73 2crg s PRO 67 Ca 0.27 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.22 2crg s PRO 67 Cb -0.07 -3.31 -0.00 0.00 0.04 0.00 0.00 34.50 31.17 2crg s PRO 67 CO -0.13 -0.44 1.06 -1.54 0.04 0.00 0.00 177.00 175.99 2crg s SER 68 N 1.22 5.48 -0.40 6.66 1.04 -1.26 -4.88 113.70 121.57 2crg s SER 68 Ca 0.64 1.65 -0.40 0.00 0.48 0.00 0.00 55.95 58.32 2crg s SER 68 Cb -0.35 -2.50 -0.15 0.00 0.10 0.00 0.00 66.02 63.11 2crg s SER 68 CO 0.30 -1.37 2.04 -1.54 0.98 0.00 0.00 173.24 173.65 2crg n SER 69 N -2.90 1.65 0.00 7.02 3.41 -1.26 -5.35 113.62 116.20 2crg n SER 69 Ca 0.08 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.38 2crg n SER 69 Cb 0.53 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 2crg n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49