#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crg s SER 2 N 0.00 1.36 -0.16 1.61 1.04 -1.26 -5.15 113.70 111.15 2crg s SER 2 Ca 0.00 -0.37 -0.34 0.00 0.48 0.00 0.00 55.95 55.72 2crg s SER 2 Cb 0.00 -0.09 0.13 0.00 0.10 0.00 0.00 66.02 66.16 2crg s SER 2 CO 0.00 0.03 1.15 -0.55 0.98 0.00 0.00 173.24 174.86 2crg s SER 3 N -0.87 -0.17 0.00 7.02 0.15 -1.26 -5.14 113.70 113.42 2crg s SER 3 Ca 0.01 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2crg s SER 3 Cb -0.07 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 2crg s SER 3 CO 0.01 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.76 2crg n GLY 4 N -0.12 1.89 3.09 9.45 0.00 -1.26 -5.02 105.19 113.22 2crg n GLY 4 Ca -0.01 -0.72 -0.56 0.00 0.00 0.00 0.00 46.02 44.73 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 0.89 -4.74 1.61 2.88 -1.26 -4.77 113.62 108.23 2crg n SER 5 Ca 0.00 0.98 -0.42 0.00 -1.33 0.00 0.00 58.87 58.11 2crg n SER 5 Cb 0.00 -0.73 -0.02 0.00 -0.75 0.00 0.00 64.21 62.71 2crg n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2crg s SER 6 N 2.22 6.37 0.00 -3.46 1.04 -1.26 -4.99 113.70 113.62 2crg s SER 6 Ca 0.86 2.93 0.00 0.00 0.48 0.00 0.00 55.95 60.21 2crg s SER 6 Cb -1.22 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 62.28 2crg s SER 6 CO 0.66 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2crg n GLY 7 N 2.91 -0.16 3.89 7.32 0.00 -1.26 -4.94 105.19 112.94 2crg n GLY 7 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 2.98 0.25 1.61 1.00 -1.26 -5.02 119.30 118.87 2crg s MET 8 Ca 0.00 0.44 -0.30 0.00 0.00 0.00 0.00 55.69 55.84 2crg s MET 8 Cb 0.00 -2.06 -0.09 0.00 0.00 0.00 0.00 34.83 32.67 2crg s MET 8 CO 0.00 -0.92 1.26 -2.00 0.00 0.00 0.00 175.02 173.37 2crg s GLU 9 N -5.28 4.43 -0.20 2.03 2.56 -1.26 -5.02 118.70 115.96 2crg s GLU 9 Ca 0.57 2.05 -0.05 0.00 0.00 0.00 0.00 54.97 57.53 2crg s GLU 9 Cb -0.11 -3.16 -0.03 0.00 2.00 0.00 0.00 34.13 32.83 2crg s GLU 9 CO 0.51 -0.14 0.01 -1.21 -0.56 0.00 0.00 175.26 173.87 2crg s GLU 10 N -0.87 3.66 -0.12 4.30 2.02 -1.26 -5.10 118.70 121.34 2crg s GLU 10 Ca 0.52 -0.50 -0.13 0.00 0.02 0.00 0.00 54.97 54.88 2crg s GLU 10 Cb -0.36 -3.10 -0.05 0.00 0.10 0.00 0.00 34.13 30.72 2crg s GLU 10 CO 0.43 0.04 0.29 -1.58 0.02 0.00 0.00 175.26 174.45 2crg s TRP 11 N 0.94 3.54 0.25 1.61 0.52 -1.26 -5.08 118.94 119.46 2crg s TRP 11 Ca 0.02 0.66 -0.20 0.00 0.02 0.00 0.00 56.10 56.60 2crg s TRP 11 Cb -0.14 -2.25 -0.09 0.00 -1.15 0.00 0.00 33.47 29.84 2crg s TRP 11 CO 0.02 0.42 0.76 0.45 0.02 0.00 0.00 176.95 178.61 2crg s SER 12 N -0.13 7.06 0.17 2.95 0.15 -1.26 -4.93 113.70 117.71 2crg s SER 12 Ca 0.18 1.46 -0.24 0.00 0.70 0.00 0.00 55.95 58.05 2crg s SER 12 Cb -0.14 -2.44 0.07 0.00 -1.71 0.00 0.00 66.02 61.81 2crg s SER 12 CO 0.06 -0.02 1.58 0.00 1.20 0.00 0.00 173.24 176.06 2crg h ALA 13 N 3.22 -0.22 -0.08 5.45 0.00 -1.99 -0.08 119.26 125.56 2crg h ALA 13 Ca -0.48 0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.58 2crg h ALA 13 Cb 1.19 0.87 -0.05 0.00 0.00 0.00 0.00 17.79 19.80 2crg h ALA 13 CO 0.65 -0.77 -0.45 1.03 0.00 0.00 0.00 179.25 179.71 2crg h SER 14 N -0.22 -1.43 -0.73 0.00 0.87 -2.02 -1.57 113.55 108.46 2crg h SER 14 Ca 0.19 0.17 0.16 0.00 -1.23 0.00 0.00 61.79 61.08 2crg h SER 14 Cb 0.56 0.55 -0.12 0.00 -0.44 0.00 0.00 62.40 62.96 2crg h SER 14 CO -0.66 -0.41 0.11 -0.33 -0.53 0.00 0.00 176.83 175.00 2crg h GLU 15 N -0.51 0.19 -0.96 2.24 4.39 -1.80 -0.37 114.58 117.77 2crg h GLU 15 Ca 0.02 -0.01 0.25 0.00 0.34 0.00 0.00 59.36 59.96 2crg h GLU 15 Cb 0.58 -0.04 -0.18 0.00 -0.10 0.00 0.00 28.75 29.01 2crg h GLU 15 CO -0.35 0.12 -0.01 0.00 -1.16 0.00 0.00 179.01 177.62 2crg h ALA 16 N 1.64 1.06 0.09 3.43 0.00 0.01 0.27 119.26 125.76 2crg h ALA 16 Ca 0.41 0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.65 2crg h ALA 16 Cb 0.71 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2crg h ALA 16 CO -0.56 -0.53 -0.07 0.00 0.00 0.00 0.00 179.25 178.09 2crg h LEU 18 N -0.17 0.40 0.82 0.00 3.38 -0.44 -0.79 115.31 118.51 2crg h LEU 18 Ca -0.00 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2crg h LEU 18 Cb 0.15 0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.95 2crg h LEU 18 CO -0.01 0.01 -0.39 0.15 0.09 0.00 0.00 178.44 178.29 2crg h PHE 19 N 0.32 -1.02 -0.47 1.13 3.57 -0.89 0.47 116.94 120.04 2crg h PHE 19 Ca 0.65 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 62.21 2crg h PHE 19 Cb 1.76 0.34 -0.10 0.00 2.79 0.00 0.00 35.95 40.74 2crg h PHE 19 CO -0.00 -0.63 -0.41 0.93 -2.23 0.00 0.00 178.31 175.97 2crg h GLU 20 N -1.11 -0.26 -0.78 1.11 5.08 -1.08 -0.04 114.58 117.50 2crg h GLU 20 Ca -0.11 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 2crg h GLU 20 Cb 0.84 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 2crg h GLU 20 CO 0.18 -0.17 0.29 1.05 -1.00 0.00 0.00 179.01 179.36 2crg h GLU 21 N -0.27 1.17 -0.74 2.33 4.11 -1.44 -2.74 114.58 117.01 2crg h GLU 21 Ca 0.16 -0.23 0.15 0.00 0.07 0.00 0.00 59.36 59.52 2crg h GLU 21 Cb 0.57 -0.18 -0.10 0.00 0.50 0.00 0.00 28.75 29.53 2crg h GLU 21 CO -0.61 0.97 0.24 0.00 0.07 0.00 0.00 179.01 179.67 2crg h ALA 22 N 1.15 1.00 -0.51 1.06 0.00 0.18 0.32 119.26 122.46 2crg h ALA 22 Ca 0.26 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 55.18 2crg h ALA 22 Cb 0.25 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2crg h ALA 22 CO -0.02 -0.28 -0.18 1.25 0.00 0.00 0.00 179.25 180.03 2crg h LEU 23 N 0.35 1.03 -0.80 0.00 5.85 -0.99 0.71 115.31 121.47 2crg h LEU 23 Ca 0.41 -0.38 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 2crg h LEU 23 Cb 0.67 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2crg h LEU 23 CO -0.45 1.18 0.04 -0.33 -0.34 0.00 0.00 178.44 178.54 2crg h GLU 24 N 0.88 0.95 0.00 1.25 5.08 -0.79 -1.07 114.58 120.88 2crg h GLU 24 Ca 0.12 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2crg h GLU 24 Cb 0.75 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2crg h GLU 24 CO 0.06 0.91 -0.13 -0.22 -1.00 0.00 0.00 179.01 178.63 2crg h LYS 25 N 0.88 0.00 0.00 2.33 3.64 -0.32 -3.44 116.57 119.67 2crg h LYS 25 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2crg h LYS 25 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2crg h LYS 25 CO 0.02 0.00 -0.08 1.88 -2.27 0.00 0.00 179.45 179.00 2crg h TYR 26 N -0.69 0.00 0.00 1.91 0.05 0.27 -3.51 116.97 114.99 2crg h TYR 26 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2crg h TYR 26 Cb 0.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.87 2crg h TYR 26 CO -0.06 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.46 2crg n GLY 27 N 1.82 -1.53 0.56 3.88 0.00 -0.40 -4.45 105.19 105.08 2crg n GLY 27 Ca -0.01 -2.05 0.43 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.00 -1.56 1.61 5.02 -1.26 -3.92 118.16 118.05 2crg n LYS 28 Ca 0.00 0.90 -0.13 0.00 -2.02 0.00 0.00 58.31 57.05 2crg n LYS 28 Cb 0.00 -2.04 -0.09 0.00 -0.02 0.00 0.00 35.03 32.89 2crg n LYS 28 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2crg n ASP 29 N -3.63 1.55 0.01 4.39 8.00 -1.26 -4.71 116.55 120.90 2crg n ASP 29 Ca 0.36 -1.65 -0.11 0.00 0.71 0.00 0.00 54.79 54.10 2crg n ASP 29 Cb 1.62 -1.63 0.02 0.00 -0.02 0.00 0.00 41.12 41.11 2crg n ASP 29 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2crg h PHE 30 N 12.40 0.73 -0.05 1.24 0.04 -1.93 -3.26 116.94 126.11 2crg h PHE 30 Ca 0.00 -0.29 0.01 0.00 2.80 0.00 0.00 57.97 60.50 2crg h PHE 30 Cb 1.01 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.99 2crg h PHE 30 CO 1.14 1.05 -0.29 -0.91 -0.60 0.00 0.00 178.31 178.70 2crg h ASN 31 N 0.41 -0.91 -0.71 2.17 2.35 -1.91 0.89 115.58 117.87 2crg h ASN 31 Ca -0.01 0.11 0.14 0.00 -0.55 0.00 0.00 56.30 55.98 2crg h ASN 31 Cb 1.20 0.35 -0.13 0.00 0.05 0.00 0.00 38.32 39.79 2crg h ASN 31 CO 0.12 -0.27 -0.22 0.44 -1.65 0.00 0.00 177.43 175.86 2crg h ASP 32 N -0.33 -0.79 0.00 5.81 3.32 -1.97 0.15 116.42 122.62 2crg h ASP 32 Ca 0.01 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2crg h ASP 32 Cb 0.37 0.48 0.00 0.00 0.22 0.00 0.00 39.33 40.40 2crg h ASP 32 CO -0.22 -0.25 0.00 -0.38 -1.72 0.00 0.00 179.24 176.66 2crg n ILE 33 N -5.47 0.00 -0.08 0.35 5.41 -0.81 -1.97 119.36 116.78 2crg n ILE 33 Ca 0.09 1.35 0.25 0.00 1.00 0.00 0.00 62.75 65.44 2crg n ILE 33 Cb 0.37 -2.25 0.55 0.00 -0.71 0.00 0.00 39.64 37.60 2crg n ILE 33 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2crg h ARG 34 N 0.00 0.00 0.47 0.38 2.43 -0.59 0.19 114.38 117.26 2crg h ARG 34 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2crg h ARG 34 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2crg h ARG 34 CO 0.00 0.00 -0.23 0.37 -1.51 0.00 0.00 179.97 178.60 2crg h GLN 35 N 0.00 -0.61 0.00 0.20 4.15 -0.04 -2.74 115.11 116.08 2crg h GLN 35 Ca 0.37 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.83 2crg h GLN 35 Cb 2.22 0.14 0.00 0.00 0.21 0.00 0.00 27.48 30.04 2crg h GLN 35 CO -0.00 -0.40 -0.69 -0.25 -1.93 0.00 0.00 178.83 175.55 2crg n ASP 36 N -4.00 1.47 -0.19 -0.69 9.92 -0.30 -4.19 116.55 118.57 2crg n ASP 36 Ca -0.08 0.24 -0.05 0.00 -0.53 0.00 0.00 54.79 54.38 2crg n ASP 36 Cb 0.25 -0.63 -0.05 0.00 -0.64 0.00 0.00 41.12 40.05 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 -3.97 -0.20 -3.61 1.24 3.01 0.51 -3.71 117.46 110.72 2crg n PHE 37 Ca -0.10 0.58 -0.29 0.00 1.01 0.00 0.00 57.45 58.65 2crg n PHE 37 Cb 0.36 -0.49 -0.14 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 -8.26 1.70 0.04 4.37 1.43 -0.92 -4.99 118.68 112.06 2crg s LEU 38 Ca -0.06 -2.00 -0.20 0.00 -1.03 0.00 0.00 54.13 50.85 2crg s LEU 38 Cb 0.05 -0.68 -0.14 0.00 0.03 0.00 0.00 46.19 45.45 2crg s LEU 38 CO 0.29 -0.35 1.35 1.55 0.23 0.00 0.00 176.35 179.42 2crg h PRO 39 N 7.47 0.38 -0.76 1.29 0.13 -1.56 -3.24 132.00 135.71 2crg h PRO 39 Ca -0.06 -0.20 -0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2crg h PRO 39 Cb 0.98 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.08 2crg h PRO 39 CO 0.41 0.76 0.47 0.11 -0.23 0.00 0.00 178.00 179.52 2crg h TRP 40 N 0.02 1.00 -4.19 1.56 0.09 -1.93 -3.44 115.95 109.07 2crg h TRP 40 Ca 0.02 0.00 -0.53 0.00 0.09 0.00 0.00 58.89 58.48 2crg h TRP 40 Cb 0.69 -0.33 0.19 0.00 0.08 0.00 0.00 29.16 29.80 2crg h TRP 40 CO 0.08 0.67 0.24 1.63 0.09 0.00 0.00 178.44 181.15 2crg n LYS 41 N -4.50 -0.13 -2.42 0.12 4.76 -1.22 -5.02 118.16 109.74 2crg n LYS 41 Ca 0.07 0.04 -0.26 0.00 -2.87 0.00 0.00 58.31 55.29 2crg n LYS 41 Cb 0.05 -2.38 0.14 0.00 -1.84 0.00 0.00 35.03 31.00 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 -2.35 3.84 -0.09 4.39 0.01 -1.26 -4.95 113.70 113.29 2crg s SER 42 Ca 0.70 -0.28 -0.13 0.00 1.31 0.00 0.00 55.95 57.54 2crg s SER 42 Cb -0.26 0.07 -0.11 0.00 0.21 0.00 0.00 66.02 65.93 2crg s SER 42 CO 0.55 -2.22 0.44 0.25 0.41 0.00 0.00 173.24 172.67 2crg h LEU 43 N -0.92 -0.08 -0.13 2.44 7.12 -1.95 -3.31 115.31 118.49 2crg h LEU 43 Ca -0.37 -0.34 -0.08 0.00 0.13 0.00 0.00 57.88 57.22 2crg h LEU 43 Cb 1.25 0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 41.40 2crg h LEU 43 CO 0.37 0.56 -0.22 0.74 -0.13 0.00 0.00 178.44 179.75 2crg h THR 44 N -0.98 1.37 -0.99 1.05 2.02 -1.98 -3.24 112.91 110.16 2crg h THR 44 Ca -0.01 -1.47 0.24 0.00 0.77 0.00 0.00 66.41 65.94 2crg h THR 44 Cb 0.41 2.02 -0.19 0.00 -1.74 0.00 0.00 68.15 68.65 2crg h THR 44 CO 0.02 0.43 -0.08 -1.20 0.37 0.00 0.00 175.52 175.06 2crg n SER 45 N -4.48 -0.21 -0.04 4.18 7.64 -1.26 0.20 113.62 119.65 2crg n SER 45 Ca -0.07 1.69 -0.00 0.00 1.01 0.00 0.00 58.87 61.50 2crg n SER 45 Cb 0.42 -0.58 0.29 0.00 -1.01 0.00 0.00 64.21 63.34 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 1.19 0.51 0.44 2.04 -1.64 -3.09 117.51 116.95 2crg h ILE 46 Ca 0.55 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2crg h ILE 46 Cb 1.04 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 2crg h ILE 46 CO -0.96 0.25 -0.24 0.40 0.00 0.00 0.00 178.15 177.59 2crg h ILE 47 N 0.61 0.45 -0.75 -0.67 2.04 0.23 -3.03 117.51 116.38 2crg h ILE 47 Ca 0.14 -0.28 0.25 0.00 1.00 0.00 0.00 64.86 65.97 2crg h ILE 47 Cb 0.24 0.57 -0.14 0.00 -0.74 0.00 0.00 36.82 36.75 2crg h ILE 47 CO -0.00 0.04 0.16 -0.62 0.00 0.00 0.00 178.15 177.73 2crg n GLU 48 N -5.31 -0.05 0.04 2.37 1.02 -0.54 0.15 120.64 118.31 2crg n GLU 48 Ca -0.11 1.09 -0.11 0.00 -0.02 0.00 0.00 57.16 58.01 2crg n GLU 48 Cb 0.31 -1.82 -0.05 0.00 -0.02 0.00 0.00 31.44 29.87 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 -0.22 -0.61 -0.32 5.03 -1.59 -2.96 116.97 116.31 2crg h TYR 49 Ca 0.52 0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.91 2crg h TYR 49 Cb 1.22 0.10 -0.10 0.00 1.55 0.00 0.00 36.73 39.50 2crg h TYR 49 CO -0.24 -0.13 -0.54 -0.92 -1.32 0.00 0.00 178.16 175.00 2crg h TYR 50 N -0.14 -1.66 -0.36 -3.82 3.20 0.13 0.13 116.97 114.46 2crg h TYR 50 Ca 0.04 0.10 0.04 0.00 3.14 0.00 0.00 58.73 62.05 2crg h TYR 50 Cb 0.20 0.80 -0.06 0.00 1.54 0.00 0.00 36.73 39.21 2crg h TYR 50 CO -0.17 -0.45 -0.41 1.88 -1.64 0.00 0.00 178.16 177.38 2crg h TYR 51 N -0.26 -1.25 -0.19 -3.82 0.05 -1.40 0.11 116.97 110.21 2crg h TYR 51 Ca 0.12 0.06 0.05 0.00 0.05 0.00 0.00 58.73 59.02 2crg h TYR 51 Cb 0.54 0.59 -0.07 0.00 1.01 0.00 0.00 36.73 38.81 2crg h TYR 51 CO -0.80 -0.34 -0.37 1.98 -1.05 0.00 0.00 178.16 177.58 2crg h MET 52 N -0.24 -0.39 -0.94 4.88 4.05 -1.23 0.28 114.93 121.34 2crg h MET 52 Ca 0.06 0.03 0.27 0.00 -0.28 0.00 0.00 59.70 59.78 2crg h MET 52 Cb 0.41 0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.26 2crg h MET 52 CO -0.47 -0.26 0.74 2.35 0.23 0.00 0.00 176.91 179.51 2crg h TRP 53 N -0.40 0.00 0.03 1.39 7.01 0.04 0.38 115.95 124.38 2crg h TRP 53 Ca 0.10 0.00 -0.11 0.00 2.11 0.00 0.00 58.89 60.99 2crg h TRP 53 Cb 0.58 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.63 2crg h TRP 53 CO -0.47 0.00 -0.59 -0.22 -2.79 0.00 0.00 178.44 174.37 2crg h LYS 54 N 0.00 0.05 -0.54 2.65 3.11 0.14 -3.31 116.57 118.68 2crg h LYS 54 Ca 0.45 -0.09 0.00 0.00 -2.81 0.00 0.00 60.65 58.19 2crg h LYS 54 Cb 1.93 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 33.19 2crg h LYS 54 CO -0.00 1.04 0.00 0.25 -2.81 0.00 0.00 179.45 177.93 2crg n THR 55 N -4.44 0.11 -0.22 1.00 -2.24 0.66 -4.89 114.28 104.25 2crg n THR 55 Ca -0.18 -0.07 -0.11 0.00 -2.27 0.00 0.00 64.05 61.42 2crg n THR 55 Cb 0.62 -0.24 0.10 0.00 -2.10 0.00 0.00 70.33 68.70 2crg n THR 55 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2crg n THR 56 N -0.16 0.00 -3.09 4.28 -2.24 0.12 -4.15 114.28 109.04 2crg n THR 56 Ca 0.02 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.60 2crg n THR 56 Cb 0.18 -0.34 0.04 0.00 -2.10 0.00 0.00 70.33 68.11 2crg n THR 56 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2crg n ASP 57 N -2.32 -5.52 -4.67 3.42 9.92 -1.26 -4.91 116.55 111.21 2crg n ASP 57 Ca 0.05 -0.32 -0.46 0.00 -0.53 0.00 0.00 54.79 53.53 2crg n ASP 57 Cb 0.21 -4.27 -0.04 0.00 -0.64 0.00 0.00 41.12 36.39 2crg n ASP 57 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2crg n ARG 58 N -3.79 2.09 -4.21 -1.24 1.74 -1.26 -1.52 116.66 108.47 2crg n ARG 58 Ca -0.06 0.75 -0.35 0.00 -0.77 0.00 0.00 57.85 57.42 2crg n ARG 58 Cb 0.58 -2.47 -0.03 0.00 -1.02 0.00 0.00 32.46 29.52 2crg n ARG 58 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2crg n TYR 59 N 2.78 -1.68 -1.41 -1.55 9.36 -1.26 -4.77 117.16 118.63 2crg n TYR 59 Ca 0.15 0.78 -0.49 0.00 3.32 0.00 0.00 57.90 61.65 2crg n TYR 59 Cb 0.30 -2.98 -0.04 0.00 -0.63 0.00 0.00 39.34 35.99 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 -4.38 1.69 -3.27 2.97 3.14 -0.57 -4.94 118.33 112.96 2crg n VAL 60 Ca 0.01 -0.42 -0.23 0.00 -2.96 0.00 0.00 64.34 60.74 2crg n VAL 60 Cb 0.52 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.30 2crg n VAL 60 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 2crg s GLN 61 N -0.85 3.34 -0.92 1.45 -0.21 -1.26 -4.45 119.66 116.76 2crg s GLN 61 Ca 0.68 -0.43 -0.05 0.00 0.02 0.00 0.00 55.36 55.58 2crg s GLN 61 Cb -0.98 -2.64 0.01 0.00 1.00 0.00 0.00 33.01 30.40 2crg s GLN 61 CO 0.56 0.02 0.79 0.94 -2.12 0.00 0.00 175.29 175.49 2crg n GLN 62 N -1.86 -5.33 -2.80 2.91 0.00 -1.26 -5.02 117.38 104.01 2crg n GLN 62 Ca -0.03 0.57 -0.25 0.00 -0.00 0.00 0.00 57.00 57.30 2crg n GLN 62 Cb 0.57 -4.83 0.01 0.00 0.00 0.00 0.00 30.24 25.99 2crg n GLN 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2crg s LYS 63 N -5.72 3.16 -0.46 3.69 2.20 -1.26 -5.02 119.74 116.33 2crg s LYS 63 Ca 0.33 -0.22 0.03 0.00 -0.36 0.00 0.00 55.97 55.75 2crg s LYS 63 Cb -0.14 -2.46 0.45 0.00 -1.51 0.00 0.00 37.83 34.17 2crg s LYS 63 CO 0.50 -0.33 1.52 2.89 -0.36 0.00 0.00 175.35 179.57 2crg n ARG 64 N -2.22 3.24 -4.11 4.03 1.85 -1.26 -5.02 116.66 113.18 2crg n ARG 64 Ca 0.01 -3.85 -0.22 0.00 -1.00 0.00 0.00 57.85 52.79 2crg n ARG 64 Cb 0.57 -2.28 -0.04 0.00 -1.05 0.00 0.00 32.46 29.65 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 -2.87 5.53 0.67 2.89 0.15 -1.26 -5.07 113.70 113.74 2crg s SER 65 Ca 0.56 -0.23 -0.15 0.00 0.70 0.00 0.00 55.95 56.83 2crg s SER 65 Cb 0.45 -1.41 -0.13 0.00 -1.71 0.00 0.00 66.02 63.22 2crg s SER 65 CO -0.01 -0.02 -0.44 0.61 1.20 0.00 0.00 173.24 174.57 2crg n GLY 66 N -1.08 -3.43 0.00 9.45 0.00 -1.26 -4.73 105.19 104.15 2crg n GLY 66 Ca -0.08 -0.46 0.07 0.00 0.00 0.00 0.00 46.02 45.55 2crg n GLY 66 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crg n PRO 67 N 1.76 0.49 -1.65 1.61 -0.04 -1.26 -4.83 135.00 131.07 2crg n PRO 67 Ca 0.02 0.00 -0.48 0.00 -0.04 0.00 0.00 63.50 63.00 2crg n PRO 67 Cb 0.44 -1.42 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 2crg n PRO 67 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2crg n SER 68 N -0.92 2.71 0.08 3.54 7.64 -1.26 -4.86 113.62 120.56 2crg n SER 68 Ca 0.10 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.06 2crg n SER 68 Cb 0.04 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 61.90 2crg n SER 68 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2crg n SER 69 N 3.57 0.64 0.00 6.43 7.64 -1.26 -5.14 113.62 125.49 2crg n SER 69 Ca 0.18 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.32 2crg n SER 69 Cb 0.26 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2crg n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64