#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 -4.09 -4.65 1.61 2.88 -1.26 -4.89 113.62 103.21 2crg n SER 2 Ca 0.00 -0.34 -0.54 0.00 -1.33 0.00 0.00 58.87 56.66 2crg n SER 2 Cb 0.00 -3.29 -0.06 0.00 -0.75 0.00 0.00 64.21 60.11 2crg n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2crg n SER 3 N -1.50 2.15 0.00 -3.46 7.64 -1.26 -4.89 113.62 112.30 2crg n SER 3 Ca -0.04 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.93 2crg n SER 3 Cb 0.55 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 2crg n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crg n GLY 4 N 3.43 3.12 3.77 0.23 0.00 -1.26 -5.14 105.19 109.34 2crg n GLY 4 Ca 0.22 0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 2crg n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crg s SER 5 N 0.00 6.61 -0.10 1.61 0.01 -1.26 -5.03 113.70 115.54 2crg s SER 5 Ca 0.00 2.29 -0.11 0.00 1.31 0.00 0.00 55.95 59.43 2crg s SER 5 Cb 0.00 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 2crg s SER 5 CO 0.00 -0.61 0.26 -0.44 0.41 0.00 0.00 173.24 172.85 2crg s SER 6 N -1.20 6.51 0.00 2.44 0.01 -1.26 -4.77 113.70 115.43 2crg s SER 6 Ca 0.56 0.61 0.00 0.00 1.31 0.00 0.00 55.95 58.43 2crg s SER 6 Cb -0.29 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2crg s SER 6 CO 0.37 0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.92 2crg n GLY 7 N 2.40 -0.84 3.71 3.44 0.00 -1.26 -5.12 105.19 107.52 2crg n GLY 7 Ca -0.16 0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 4.36 0.63 1.61 1.00 -1.26 -5.03 119.30 120.61 2crg s MET 8 Ca 0.00 1.98 -0.00 0.00 0.00 0.00 0.00 55.69 57.67 2crg s MET 8 Cb 0.00 -3.28 0.07 0.00 0.00 0.00 0.00 34.83 31.62 2crg s MET 8 CO 0.00 -0.38 0.88 -1.21 0.00 0.00 0.00 175.02 174.31 2crg s GLU 9 N 1.07 2.19 -0.16 2.03 0.41 -1.26 -5.10 118.70 117.89 2crg s GLU 9 Ca 0.63 -0.85 -0.02 0.00 -0.41 0.00 0.00 54.97 54.32 2crg s GLU 9 Cb -0.35 -2.40 -0.02 0.00 -1.78 0.00 0.00 34.13 29.59 2crg s GLU 9 CO 0.30 -1.04 -0.08 -2.00 -0.49 0.00 0.00 175.26 171.95 2crg s GLU 10 N -4.95 3.47 -0.17 1.61 2.12 -1.26 -5.10 118.70 114.42 2crg s GLU 10 Ca 0.61 -0.62 -0.09 0.00 0.36 0.00 0.00 54.97 55.22 2crg s GLU 10 Cb -0.09 -2.80 0.06 0.00 0.26 0.00 0.00 34.13 31.56 2crg s GLU 10 CO 0.41 0.13 0.40 -1.58 -0.54 0.00 0.00 175.26 174.08 2crg s TRP 11 N 0.61 -0.58 0.45 5.30 0.52 -1.26 -5.12 118.94 118.86 2crg s TRP 11 Ca -0.05 1.25 0.07 0.00 0.02 0.00 0.00 56.10 57.40 2crg s TRP 11 Cb -0.15 0.25 -0.00 0.00 -1.15 0.00 0.00 33.47 32.42 2crg s TRP 11 CO 0.03 -0.33 0.41 -1.12 0.02 0.00 0.00 176.95 175.96 2crg s SER 12 N 1.35 5.00 0.13 2.95 0.01 -1.26 -4.94 113.70 116.93 2crg s SER 12 Ca -0.09 -0.82 -0.25 0.00 1.31 0.00 0.00 55.95 56.09 2crg s SER 12 Cb -0.08 -0.37 -0.03 0.00 0.21 0.00 0.00 66.02 65.74 2crg s SER 12 CO -0.12 -0.77 1.63 0.00 0.41 0.00 0.00 173.24 174.39 2crg h ALA 13 N 0.93 -0.32 -0.10 1.44 0.00 -2.02 0.23 119.26 119.41 2crg h ALA 13 Ca -0.40 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.54 2crg h ALA 13 Cb 1.27 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 19.51 2crg h ALA 13 CO 0.56 -0.75 -0.33 0.77 0.00 0.00 0.00 179.25 179.49 2crg h SER 14 N -0.38 -1.07 -0.81 0.00 0.02 -1.99 0.14 113.55 109.45 2crg h SER 14 Ca 0.08 0.13 0.11 0.00 -0.84 0.00 0.00 61.79 61.27 2crg h SER 14 Cb 0.49 0.42 -0.08 0.00 0.14 0.00 0.00 62.40 63.37 2crg h SER 14 CO -0.27 -0.29 0.44 -0.33 -1.14 0.00 0.00 176.83 175.24 2crg h GLU 15 N -0.34 0.69 -0.09 3.45 3.07 -1.93 -1.11 114.58 118.32 2crg h GLU 15 Ca 0.02 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 58.88 2crg h GLU 15 Cb 0.41 -0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 28.12 2crg h GLU 15 CO -0.28 0.45 -0.17 0.00 -1.40 0.00 0.00 179.01 177.61 2crg h ALA 16 N 1.48 -0.13 0.41 3.43 0.00 0.49 -2.50 119.26 122.44 2crg h ALA 16 Ca 0.41 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 2crg h ALA 16 Cb 0.46 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2crg h ALA 16 CO -0.29 -0.64 -0.20 0.00 0.00 0.00 0.00 179.25 178.13 2crg n LEU 18 N -5.32 -0.59 -0.13 0.00 4.77 -0.48 -0.58 117.00 114.68 2crg n LEU 18 Ca -0.11 1.69 -0.13 0.00 -0.03 0.00 0.00 56.01 57.43 2crg n LEU 18 Cb 0.24 -0.41 -0.08 0.00 -2.33 0.00 0.00 43.42 40.84 2crg n LEU 18 CO 0.36 -1.53 0.52 0.15 -1.33 0.00 0.00 177.39 175.55 2crg h PHE 19 N 0.00 -1.58 -0.87 -1.77 3.57 -1.33 0.24 116.94 115.20 2crg h PHE 19 Ca 0.36 0.08 0.22 0.00 3.53 0.00 0.00 57.97 62.16 2crg h PHE 19 Cb 0.60 0.74 -0.13 0.00 2.79 0.00 0.00 35.95 39.95 2crg h PHE 19 CO -0.84 -0.48 0.32 0.93 -2.23 0.00 0.00 178.31 176.01 2crg h GLU 20 N -0.39 0.30 -0.14 1.11 5.08 -0.84 0.12 114.58 119.82 2crg h GLU 20 Ca 0.09 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2crg h GLU 20 Cb 0.60 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2crg h GLU 20 CO -0.58 0.20 -0.00 0.93 -1.00 0.00 0.00 179.01 178.56 2crg h GLU 21 N 0.31 0.26 -0.27 2.33 4.39 -0.35 -3.25 114.58 117.99 2crg h GLU 21 Ca 0.55 -0.08 0.04 0.00 0.34 0.00 0.00 59.36 60.20 2crg h GLU 21 Cb 1.06 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.62 2crg h GLU 21 CO -0.57 0.49 -0.54 0.00 -1.16 0.00 0.00 179.01 177.23 2crg h ALA 22 N 0.76 -0.83 -1.03 3.43 0.00 0.14 0.97 119.26 122.70 2crg h ALA 22 Ca 0.04 -0.03 0.40 0.00 0.00 0.00 0.00 54.91 55.32 2crg h ALA 22 Cb 0.37 1.06 -0.17 0.00 0.00 0.00 0.00 17.79 19.06 2crg h ALA 22 CO 0.01 -1.06 0.57 1.25 0.00 0.00 0.00 179.25 180.02 2crg h LEU 23 N -0.48 0.36 -0.17 0.00 5.85 -1.45 1.14 115.31 120.56 2crg h LEU 23 Ca 0.05 0.24 -0.11 0.00 0.84 0.00 0.00 57.88 58.89 2crg h LEU 23 Cb 0.62 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2crg h LEU 23 CO -0.51 -0.35 -0.34 -0.33 -0.34 0.00 0.00 178.44 176.57 2crg h GLU 24 N 0.08 0.53 0.19 1.25 3.07 -0.91 -2.48 114.58 116.31 2crg h GLU 24 Ca 0.82 -0.34 -0.01 0.00 -0.50 0.00 0.00 59.36 59.33 2crg h GLU 24 Cb 2.15 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 30.10 2crg h GLU 24 CO -0.71 0.95 -0.09 -0.22 -1.40 0.00 0.00 179.01 177.54 2crg h LYS 25 N 0.18 -0.24 0.00 2.33 3.64 0.20 -3.43 116.57 119.24 2crg h LYS 25 Ca 0.01 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2crg h LYS 25 Cb 0.93 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2crg h LYS 25 CO 0.08 -0.16 -0.07 1.88 -2.27 0.00 0.00 179.45 178.91 2crg h TYR 26 N -0.69 0.00 0.00 1.91 0.05 0.75 -3.51 116.97 115.48 2crg h TYR 26 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 2crg h TYR 26 Cb 0.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.93 2crg h TYR 26 CO 0.03 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.55 2crg n GLY 27 N 1.74 0.28 0.54 3.88 0.00 -0.93 -4.69 105.19 106.01 2crg n GLY 27 Ca -0.01 -2.30 0.41 0.00 0.00 0.00 0.00 46.02 44.12 2crg n GLY 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2crg n LYS 28 N 0.00 -0.01 -1.65 1.61 0.00 -1.26 -3.86 118.16 112.99 2crg n LYS 28 Ca 0.00 0.90 -0.16 0.00 0.00 0.00 0.00 58.31 59.05 2crg n LYS 28 Cb 0.00 -2.01 -0.07 0.00 0.00 0.00 0.00 35.03 32.95 2crg n LYS 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2crg s ASP 29 N -3.98 4.04 0.19 3.14 1.11 -1.26 -4.72 116.67 115.20 2crg s ASP 29 Ca -0.04 -0.17 0.03 0.00 0.18 0.00 0.00 52.55 52.55 2crg s ASP 29 Cb 0.22 -2.56 0.10 0.00 1.07 0.00 0.00 42.92 41.76 2crg s ASP 29 CO 0.71 -3.78 1.45 -0.26 1.18 0.00 0.00 175.17 174.47 2crg h PHE 30 N 12.34 0.33 -0.69 4.23 0.04 -1.96 -3.27 116.94 127.96 2crg h PHE 30 Ca 0.02 -0.15 0.12 0.00 2.80 0.00 0.00 57.97 60.76 2crg h PHE 30 Cb 1.00 -0.05 -0.13 0.00 2.20 0.00 0.00 35.95 38.98 2crg h PHE 30 CO 1.16 0.90 -0.31 -0.91 -0.60 0.00 0.00 178.31 178.55 2crg h ASN 31 N 0.15 -1.11 0.14 2.17 4.21 -1.93 0.67 115.58 119.88 2crg h ASN 31 Ca -0.03 0.24 -0.06 0.00 1.21 0.00 0.00 56.30 57.67 2crg h ASN 31 Cb 1.33 0.58 -0.01 0.00 -1.12 0.00 0.00 38.32 39.10 2crg h ASN 31 CO 0.12 -0.29 -0.21 -0.78 -1.29 0.00 0.00 177.43 174.98 2crg h ASP 32 N -0.10 0.14 0.16 5.81 1.82 -1.97 -2.63 116.42 119.65 2crg h ASP 32 Ca 0.28 -0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.88 2crg h ASP 32 Cb 0.56 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.54 2crg h ASP 32 CO -0.75 0.36 -0.08 0.40 -1.61 0.00 0.00 179.24 177.56 2crg h ILE 33 N 0.13 0.00 -0.11 2.25 2.04 0.02 -3.18 117.51 118.67 2crg h ILE 33 Ca 0.02 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.72 2crg h ILE 33 Cb 0.45 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 2crg h ILE 33 CO 0.03 0.00 0.62 -0.09 0.00 0.00 0.00 178.15 178.71 2crg h ARG 34 N -0.41 0.00 0.40 2.37 2.43 -0.17 0.69 114.38 119.69 2crg h ARG 34 Ca -0.02 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2crg h ARG 34 Cb 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2crg h ARG 34 CO 0.04 0.00 -0.19 0.37 -1.51 0.00 0.00 179.97 178.68 2crg h GLN 35 N 0.00 -0.51 0.00 0.20 4.15 -1.45 -2.79 115.11 114.71 2crg h GLN 35 Ca 0.05 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.51 2crg h GLN 35 Cb 1.29 0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.09 2crg h GLN 35 CO -0.00 -0.34 -0.67 -0.25 -1.93 0.00 0.00 178.83 175.64 2crg n ASP 36 N -3.94 1.40 -0.24 -0.69 8.00 -0.58 -4.15 116.55 116.34 2crg n ASP 36 Ca -0.07 0.23 -0.06 0.00 0.71 0.00 0.00 54.79 55.60 2crg n ASP 36 Cb 0.21 -0.63 -0.06 0.00 -0.02 0.00 0.00 41.12 40.62 2crg n ASP 36 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2crg n PHE 37 N -3.90 -0.26 -3.61 1.24 3.01 0.13 -3.70 117.46 110.37 2crg n PHE 37 Ca -0.09 0.73 -0.29 0.00 1.01 0.00 0.00 57.45 58.80 2crg n PHE 37 Cb 0.35 -0.52 -0.14 0.00 -0.01 0.00 0.00 39.48 39.16 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 -8.90 1.72 0.03 4.37 1.43 -0.88 -4.99 118.68 111.45 2crg s LEU 38 Ca -0.07 -2.03 -0.21 0.00 -1.03 0.00 0.00 54.13 50.79 2crg s LEU 38 Cb 0.06 -0.69 -0.15 0.00 0.03 0.00 0.00 46.19 45.44 2crg s LEU 38 CO 0.36 -0.34 1.33 1.55 0.23 0.00 0.00 176.35 179.48 2crg h PRO 39 N 7.43 0.29 -0.39 1.29 0.13 -1.57 -3.27 132.00 135.91 2crg h PRO 39 Ca -0.05 -0.15 0.03 0.00 -0.87 0.00 0.00 66.00 64.95 2crg h PRO 39 Cb 0.98 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 2crg h PRO 39 CO 0.41 0.69 0.20 0.11 -0.23 0.00 0.00 178.00 179.18 2crg h TRP 40 N -0.10 0.37 -3.34 1.56 0.09 -1.93 -3.44 115.95 109.16 2crg h TRP 40 Ca 0.02 0.02 -0.56 0.00 0.09 0.00 0.00 58.89 58.46 2crg h TRP 40 Cb 0.64 -0.11 0.19 0.00 0.08 0.00 0.00 29.16 29.96 2crg h TRP 40 CO 0.09 0.20 -0.34 1.63 0.09 0.00 0.00 178.44 180.11 2crg n LYS 41 N -4.92 0.25 -2.48 0.12 4.76 -1.23 -5.01 118.16 109.65 2crg n LYS 41 Ca 0.01 0.13 -0.22 0.00 -2.87 0.00 0.00 58.31 55.36 2crg n LYS 41 Cb 0.09 -1.90 0.12 0.00 -1.84 0.00 0.00 35.03 31.50 2crg n LYS 41 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2crg n SER 42 N -0.69 1.28 0.11 4.39 7.64 -1.26 -4.96 113.62 120.14 2crg n SER 42 Ca 0.10 -2.09 -0.09 0.00 1.01 0.00 0.00 58.87 57.80 2crg n SER 42 Cb 0.50 -0.63 -0.06 0.00 -1.01 0.00 0.00 64.21 63.02 2crg n SER 42 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2crg h LEU 43 N 0.00 -0.31 0.02 -3.43 7.12 -1.97 -3.27 115.31 113.46 2crg h LEU 43 Ca -0.32 -0.16 -0.27 0.00 0.13 0.00 0.00 57.88 57.26 2crg h LEU 43 Cb 1.18 0.08 0.02 0.00 -0.53 0.00 0.00 40.66 41.41 2crg h LEU 43 CO 0.34 0.18 -1.08 0.74 -0.13 0.00 0.00 178.44 178.49 2crg h THR 44 N -1.00 1.28 -1.20 1.05 2.02 -2.00 -3.25 112.91 109.81 2crg h THR 44 Ca -0.04 -2.29 0.38 0.00 0.77 0.00 0.00 66.41 65.23 2crg h THR 44 Cb 0.45 2.44 -0.13 0.00 -1.74 0.00 0.00 68.15 69.18 2crg h THR 44 CO 0.06 0.71 0.76 -1.28 0.37 0.00 0.00 175.52 176.14 2crg h SER 45 N 0.37 0.33 1.34 4.18 0.87 -1.97 1.65 113.55 120.32 2crg h SER 45 Ca -0.14 0.14 -0.13 0.00 -1.23 0.00 0.00 61.79 60.42 2crg h SER 45 Cb 1.74 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.79 2crg h SER 45 CO 0.21 -0.13 -0.67 0.40 -0.53 0.00 0.00 176.83 176.11 2crg h ILE 46 N 0.18 1.05 0.21 2.23 2.04 -1.61 -3.34 117.51 118.27 2crg h ILE 46 Ca 0.76 -2.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.11 2crg h ILE 46 Cb 2.21 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 40.80 2crg h ILE 46 CO -0.43 0.60 -0.10 0.40 0.00 0.00 0.00 178.15 178.61 2crg h ILE 47 N 0.00 0.85 -0.77 -0.67 2.04 0.24 -3.03 117.51 116.17 2crg h ILE 47 Ca -0.02 -0.29 0.17 0.00 1.00 0.00 0.00 64.86 65.73 2crg h ILE 47 Cb 1.49 1.02 -0.14 0.00 -0.74 0.00 0.00 36.82 38.45 2crg h ILE 47 CO 0.08 0.07 -0.09 -0.33 0.00 0.00 0.00 178.15 177.87 2crg h GLU 48 N -0.42 0.04 -0.58 2.37 5.08 -1.52 0.13 114.58 119.69 2crg h GLU 48 Ca -0.03 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.44 2crg h GLU 48 Cb 0.32 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.47 2crg h GLU 48 CO 0.05 0.03 0.07 -0.92 -1.00 0.00 0.00 179.01 177.23 2crg h TYR 49 N 0.04 0.09 -1.06 4.33 5.03 -1.67 0.83 116.97 124.56 2crg h TYR 49 Ca 0.40 0.04 0.29 0.00 2.58 0.00 0.00 58.73 62.03 2crg h TYR 49 Cb 0.67 0.05 -0.11 0.00 1.55 0.00 0.00 36.73 38.88 2crg h TYR 49 CO -0.52 -0.08 0.66 -0.92 -1.32 0.00 0.00 178.16 175.98 2crg h TYR 50 N 0.19 0.75 0.13 -3.82 3.20 -0.67 0.53 116.97 117.29 2crg h TYR 50 Ca 0.30 0.03 -0.21 0.00 3.14 0.00 0.00 58.73 61.99 2crg h TYR 50 Cb 0.46 -0.21 0.02 0.00 1.54 0.00 0.00 36.73 38.54 2crg h TYR 50 CO -0.29 0.00 -0.95 1.88 -1.64 0.00 0.00 178.16 177.16 2crg h TYR 51 N 0.39 0.51 0.00 -3.82 0.05 -0.84 -1.85 116.97 111.40 2crg h TYR 51 Ca 0.65 -0.37 -0.00 0.00 0.05 0.00 0.00 58.73 59.05 2crg h TYR 51 Cb 1.59 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 39.31 2crg h TYR 51 CO -0.00 1.37 -0.01 0.00 -1.05 0.00 0.00 178.16 178.46 2crg h MET 52 N -0.37 0.00 0.00 4.88 -0.00 0.72 -2.98 114.93 117.18 2crg h MET 52 Ca -0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.51 2crg h MET 52 Cb 1.66 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.26 2crg h MET 52 CO 0.12 0.01 -0.65 1.87 -0.00 0.00 0.00 176.91 178.27 2crg n TRP 53 N -3.19 0.72 -0.27 -0.10 -0.00 0.17 -3.48 117.44 111.29 2crg n TRP 53 Ca -0.02 0.31 0.13 0.00 -0.00 0.00 0.00 57.50 57.92 2crg n TRP 53 Cb 0.15 -0.72 0.25 0.00 -0.00 0.00 0.00 31.31 30.99 2crg n TRP 53 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 2crg n LYS 54 N -4.57 -0.06 -0.02 5.87 0.00 -0.70 0.24 118.16 118.91 2crg n LYS 54 Ca -0.10 1.18 -0.12 0.00 0.00 0.00 0.00 58.31 59.28 2crg n LYS 54 Cb 0.34 -1.90 0.01 0.00 0.00 0.00 0.00 35.03 33.48 2crg n LYS 54 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 2crg h THR 55 N 0.00 1.31 -1.73 3.15 1.35 -1.73 -3.46 112.91 111.80 2crg h THR 55 Ca 0.49 -1.84 -0.52 0.00 -0.55 0.00 0.00 66.41 63.99 2crg h THR 55 Cb 1.04 1.80 0.16 0.00 -1.73 0.00 0.00 68.15 69.42 2crg h THR 55 CO -0.74 0.58 -0.99 0.41 -0.25 0.00 0.00 175.52 174.53 2crg n THR 56 N -3.95 0.03 -1.47 6.82 -1.04 0.64 -4.83 114.28 110.48 2crg n THR 56 Ca -0.04 -0.44 -0.36 0.00 -2.04 0.00 0.00 64.05 61.18 2crg n THR 56 Cb 0.64 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 69.22 2crg n THR 56 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2crg n ASP 57 N 2.17 7.62 -4.61 8.00 8.00 -1.26 -4.94 116.55 131.53 2crg n ASP 57 Ca 0.07 -3.77 -0.35 0.00 0.71 0.00 0.00 54.79 51.45 2crg n ASP 57 Cb 0.41 -1.01 -0.10 0.00 -0.02 0.00 0.00 41.12 40.40 2crg n ASP 57 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2crg s ARG 58 N -3.80 3.93 -1.11 -1.24 6.06 -1.26 -4.46 118.95 117.07 2crg s ARG 58 Ca 0.60 -0.37 -0.05 0.00 -2.50 0.00 0.00 55.73 53.42 2crg s ARG 58 Cb 0.48 -3.20 0.01 0.00 0.06 0.00 0.00 34.95 32.29 2crg s ARG 58 CO -0.12 0.23 0.95 0.98 -2.50 0.00 0.00 175.30 174.84 2crg n TYR 59 N 3.66 -2.25 -3.69 5.12 9.36 -1.26 -5.01 117.16 123.08 2crg n TYR 59 Ca -0.17 0.84 -0.14 0.00 3.32 0.00 0.00 57.90 61.75 2crg n TYR 59 Cb 0.52 -4.50 -0.08 0.00 -0.63 0.00 0.00 39.34 34.66 2crg n TYR 59 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2crg s VAL 60 N -3.28 0.04 0.23 2.97 0.11 -1.26 -5.13 120.40 114.07 2crg s VAL 60 Ca 0.33 -0.36 -0.23 0.00 -2.93 0.00 0.00 61.98 58.79 2crg s VAL 60 Cb -0.14 -0.73 -0.15 0.00 -1.53 0.00 0.00 36.38 33.83 2crg s VAL 60 CO 0.62 -0.20 0.35 0.00 -3.33 0.00 0.00 175.10 172.54 2crg n GLN 61 N 1.13 0.00 -3.47 1.54 6.02 -1.26 -4.97 117.38 116.38 2crg n GLN 61 Ca -0.21 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.67 2crg n GLN 61 Cb 0.56 -0.88 -0.03 0.00 1.02 0.00 0.00 30.24 30.92 2crg n GLN 61 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2crg s GLN 62 N -0.88 1.07 -0.56 -1.09 0.74 -1.26 -5.04 119.66 112.63 2crg s GLN 62 Ca 0.55 -0.31 -0.02 0.00 0.05 0.00 0.00 55.36 55.64 2crg s GLN 62 Cb -0.75 0.49 0.34 0.00 1.10 0.00 0.00 33.01 34.20 2crg s GLN 62 CO 0.51 -0.45 2.08 1.17 -0.55 0.00 0.00 175.29 178.05 2crg n LYS 63 N -0.15 2.40 -3.82 1.67 3.00 -1.26 -4.89 118.16 115.11 2crg n LYS 63 Ca -0.14 -2.71 -0.12 0.00 -0.00 0.00 0.00 58.31 55.33 2crg n LYS 63 Cb 0.63 -2.07 -0.11 0.00 0.00 0.00 0.00 35.03 33.48 2crg n LYS 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2crg s ARG 64 N -3.09 0.36 -0.16 1.64 6.06 -1.26 -5.13 118.95 117.37 2crg s ARG 64 Ca 0.53 0.04 -0.29 0.00 -2.50 0.00 0.00 55.73 53.51 2crg s ARG 64 Cb 0.41 0.16 -0.01 0.00 0.06 0.00 0.00 34.95 35.57 2crg s ARG 64 CO -0.06 -0.07 1.24 -1.54 -2.50 0.00 0.00 175.30 172.37 2crg s SER 65 N -0.47 6.96 -0.47 -2.12 1.04 -1.26 -4.95 113.70 112.43 2crg s SER 65 Ca -0.06 1.67 0.07 0.00 0.48 0.00 0.00 55.95 58.12 2crg s SER 65 Cb -0.04 -2.54 0.18 0.00 0.10 0.00 0.00 66.02 63.73 2crg s SER 65 CO 0.01 -0.74 0.65 -0.83 0.98 0.00 0.00 173.24 173.31 2crg s GLY 66 N 1.88 -1.07 0.87 7.32 0.00 -1.26 -5.16 107.32 109.91 2crg s GLY 66 Ca 0.54 -0.32 -0.11 0.00 0.00 0.00 0.00 44.72 44.83 2crg s GLY 66 CO 0.14 3.53 1.09 2.56 0.00 0.00 0.00 173.10 180.43 2crg s PRO 67 N 1.22 1.44 0.25 2.90 0.04 -1.26 -5.08 135.00 134.51 2crg s PRO 67 Ca 0.24 0.88 -0.20 0.00 0.04 0.00 0.00 61.00 61.96 2crg s PRO 67 Cb -0.02 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.72 2crg s PRO 67 CO -0.06 -2.13 0.65 0.45 0.04 0.00 0.00 177.00 175.95 2crg s SER 68 N -3.42 -0.29 -0.72 6.66 0.15 -1.26 -4.97 113.70 109.85 2crg s SER 68 Ca 0.63 -0.54 -0.04 0.00 0.70 0.00 0.00 55.95 56.71 2crg s SER 68 Cb -0.18 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 2crg s SER 68 CO 0.57 -1.24 0.62 -0.24 1.20 0.00 0.00 173.24 174.15 2crg n SER 69 N -0.43 -3.86 -0.16 5.45 2.88 -1.26 -5.30 113.62 110.94 2crg n SER 69 Ca -0.06 -0.30 0.02 0.00 -1.33 0.00 0.00 58.87 57.19 2crg n SER 69 Cb 0.61 -2.98 0.02 0.00 -0.75 0.00 0.00 64.21 61.11 2crg n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42