#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 5.28 -0.05 1.61 1.04 -1.26 -5.05 113.70 115.27 2crg s SER 2 Ca 0.00 -0.12 -0.07 0.00 0.48 0.00 0.00 55.95 56.24 2crg s SER 2 Cb 0.00 -1.33 -0.03 0.00 0.10 0.00 0.00 66.02 64.75 2crg s SER 2 CO 0.00 0.15 -0.15 -1.20 0.98 0.00 0.00 173.24 173.02 2crg n SER 3 N 0.34 1.26 0.00 7.02 7.64 -1.26 -5.15 113.62 123.47 2crg n SER 3 Ca -0.09 0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2crg n SER 3 Cb 0.52 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 2.51 -0.12 2.92 0.23 0.00 -1.26 -5.08 105.19 104.39 2crg n GLY 4 Ca -0.12 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 2crg n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crg s SER 5 N -4.00 3.59 -0.30 1.61 1.04 -1.26 -5.08 113.70 109.30 2crg s SER 5 Ca 0.00 -1.05 -0.15 0.00 0.48 0.00 0.00 55.95 55.23 2crg s SER 5 Cb 0.00 -1.09 0.17 0.00 0.10 0.00 0.00 66.02 65.19 2crg s SER 5 CO 0.00 -0.23 0.99 -0.55 0.98 0.00 0.00 173.24 174.43 2crg s SER 6 N 1.47 -0.57 0.00 7.02 0.15 -1.26 -5.03 113.70 115.48 2crg s SER 6 Ca -0.04 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.35 2crg s SER 6 Cb -0.18 1.63 0.00 0.00 -1.71 0.00 0.00 66.02 65.76 2crg s SER 6 CO -0.07 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2crg n GLY 7 N 5.01 2.33 3.79 9.45 0.00 -1.26 -5.02 105.19 119.49 2crg n GLY 7 Ca -0.09 -0.77 -0.00 0.00 0.00 0.00 0.00 46.02 45.16 2crg n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2crg s MET 8 N 0.00 0.74 0.43 1.61 0.00 -1.26 -5.18 119.30 115.65 2crg s MET 8 Ca 0.00 -0.45 0.02 0.00 0.00 0.00 0.00 55.69 55.26 2crg s MET 8 Cb 0.00 0.23 -0.00 0.00 0.00 0.00 0.00 34.83 35.06 2crg s MET 8 CO 0.00 -0.35 0.63 -1.21 0.00 0.00 0.00 175.02 174.09 2crg s GLU 9 N -2.42 3.03 -0.08 3.16 0.41 -1.26 -5.06 118.70 116.48 2crg s GLU 9 Ca 0.19 -0.66 -0.03 0.00 -0.41 0.00 0.00 54.97 54.06 2crg s GLU 9 Cb 0.01 -2.62 0.04 0.00 -1.78 0.00 0.00 34.13 29.78 2crg s GLU 9 CO 0.00 -0.22 0.14 -1.83 -0.49 0.00 0.00 175.26 172.86 2crg s GLU 10 N -4.47 0.02 -0.11 1.61 -1.05 -1.26 -5.14 118.70 108.30 2crg s GLU 10 Ca 0.48 0.53 0.02 0.00 -0.15 0.00 0.00 54.97 55.86 2crg s GLU 10 Cb -0.10 -0.31 0.01 0.00 -0.44 0.00 0.00 34.13 33.29 2crg s GLU 10 CO 0.36 -0.31 -0.18 -1.58 0.95 0.00 0.00 175.26 174.50 2crg s TRP 11 N 2.26 2.15 0.33 4.83 0.52 -1.26 -5.13 118.94 122.65 2crg s TRP 11 Ca 0.03 -0.98 -0.18 0.00 0.02 0.00 0.00 56.10 55.00 2crg s TRP 11 Cb -0.12 -1.51 -0.09 0.00 -1.15 0.00 0.00 33.47 30.60 2crg s TRP 11 CO -0.05 -0.46 0.80 0.45 0.02 0.00 0.00 176.95 177.71 2crg s SER 12 N 0.77 6.92 0.16 2.95 0.15 -1.26 -4.92 113.70 118.46 2crg s SER 12 Ca -0.11 1.45 -0.22 0.00 0.70 0.00 0.00 55.95 57.77 2crg s SER 12 Cb -0.16 -2.44 0.05 0.00 -1.71 0.00 0.00 66.02 61.77 2crg s SER 12 CO 0.01 -0.18 1.62 0.00 1.20 0.00 0.00 173.24 175.89 2crg h ALA 13 N 2.49 -0.12 -0.50 5.45 0.00 -2.00 0.25 119.26 124.84 2crg h ALA 13 Ca -0.48 0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.61 2crg h ALA 13 Cb 1.18 0.58 -0.07 0.00 0.00 0.00 0.00 17.79 19.48 2crg h ALA 13 CO 0.64 -0.67 0.10 0.66 0.00 0.00 0.00 179.25 179.98 2crg h SER 14 N -0.24 -0.00 -0.63 0.00 4.64 -2.02 -1.63 113.55 113.68 2crg h SER 14 Ca 0.16 0.09 0.02 0.00 -0.47 0.00 0.00 61.79 61.59 2crg h SER 14 Cb 0.49 0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.67 2crg h SER 14 CO -0.46 0.03 0.39 -0.33 -0.87 0.00 0.00 176.83 175.59 2crg h GLU 15 N 0.23 0.76 -0.63 4.77 4.39 -1.67 -2.89 114.58 119.54 2crg h GLU 15 Ca 0.25 -0.05 0.10 0.00 0.34 0.00 0.00 59.36 60.00 2crg h GLU 15 Cb 0.34 -0.17 -0.11 0.00 -0.10 0.00 0.00 28.75 28.70 2crg h GLU 15 CO -0.33 0.50 -0.41 0.00 -1.16 0.00 0.00 179.01 177.61 2crg h ALA 16 N 1.26 -0.23 -0.44 3.43 0.00 0.02 -0.25 119.26 123.05 2crg h ALA 16 Ca 0.25 0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.38 2crg h ALA 16 Cb -0.00 0.94 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 2crg h ALA 16 CO -0.09 -0.78 -0.16 0.00 0.00 0.00 0.00 179.25 178.21 2crg h LEU 18 N -0.07 0.50 0.57 0.00 3.38 -1.02 -2.11 115.31 116.57 2crg h LEU 18 Ca 0.21 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.30 2crg h LEU 18 Cb 0.39 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2crg h LEU 18 CO -0.49 0.06 -0.33 0.15 0.09 0.00 0.00 178.44 177.92 2crg h PHE 19 N 0.49 -0.89 -0.92 1.13 3.57 -0.44 0.20 116.94 120.08 2crg h PHE 19 Ca 0.59 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 62.17 2crg h PHE 19 Cb 1.11 0.31 -0.11 0.00 2.79 0.00 0.00 35.95 40.05 2crg h PHE 19 CO -0.08 -0.51 -0.54 0.39 -2.23 0.00 0.00 178.31 175.35 2crg n GLU 20 N -4.47 -0.40 0.11 1.11 4.71 -0.82 0.15 120.64 121.03 2crg n GLU 20 Ca -0.10 1.40 0.04 0.00 -0.01 0.00 0.00 57.16 58.48 2crg n GLU 20 Cb 0.35 -2.05 0.45 0.00 -1.01 0.00 0.00 31.44 29.18 2crg n GLU 20 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 177.13 178.27 2crg h GLU 21 N 0.00 0.28 -0.07 3.49 4.11 -1.45 -1.59 114.58 119.35 2crg h GLU 21 Ca 0.16 -0.04 0.02 0.00 0.07 0.00 0.00 59.36 59.57 2crg h GLU 21 Cb 0.39 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2crg h GLU 21 CO -0.87 0.30 0.08 0.00 0.07 0.00 0.00 179.01 178.58 2crg h ALA 22 N 1.74 1.65 0.05 1.06 0.00 0.46 0.36 119.26 124.59 2crg h ALA 22 Ca 0.07 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 2crg h ALA 22 Cb 0.17 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2crg h ALA 22 CO 0.00 -0.11 -0.92 1.25 0.00 0.00 0.00 179.25 179.47 2crg h LEU 23 N 0.00 0.17 -1.26 0.00 5.85 -0.33 -1.82 115.31 117.92 2crg h LEU 23 Ca 0.03 -0.80 -0.02 0.00 0.84 0.00 0.00 57.88 57.93 2crg h LEU 23 Cb 0.19 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2crg h LEU 23 CO -0.00 1.39 0.29 1.05 -0.34 0.00 0.00 178.44 180.83 2crg h GLU 24 N -0.70 0.80 0.00 1.25 4.11 -1.28 0.11 114.58 118.87 2crg h GLU 24 Ca -0.22 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 59.12 2crg h GLU 24 Cb 1.41 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2crg h GLU 24 CO -0.03 0.61 -0.02 -0.22 0.07 0.00 0.00 179.01 179.42 2crg h LYS 25 N 0.80 0.00 0.00 1.06 3.64 -1.08 -3.44 116.57 117.56 2crg h LYS 25 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2crg h LYS 25 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2crg h LYS 25 CO -0.03 0.00 -0.12 1.88 -2.27 0.00 0.00 179.45 178.91 2crg h TYR 26 N -0.63 0.00 0.00 1.91 0.05 -1.42 -3.51 116.97 113.38 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 0.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.76 2crg h TYR 26 CO -0.01 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.51 2crg n GLY 27 N 1.79 -0.87 0.56 3.88 0.00 0.38 -4.53 105.19 106.40 2crg n GLY 27 Ca -0.02 -2.13 0.38 0.00 0.00 0.00 0.00 46.02 44.25 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 0.00 -1.55 1.61 4.81 -1.26 -4.10 118.16 117.68 2crg n LYS 28 Ca 0.00 0.92 -0.22 0.00 -0.87 0.00 0.00 58.31 58.14 2crg n LYS 28 Cb 0.00 -2.19 -0.08 0.00 0.02 0.00 0.00 35.03 32.78 2crg n LYS 28 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2crg n ASP 29 N -3.42 1.61 0.05 3.14 -0.08 -1.26 -4.74 116.55 111.85 2crg n ASP 29 Ca 0.32 -1.03 -0.13 0.00 -1.51 0.00 0.00 54.79 52.43 2crg n ASP 29 Cb 1.61 -1.51 -0.03 0.00 2.34 0.00 0.00 41.12 43.53 2crg n ASP 29 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2crg h PHE 30 N 14.67 0.69 0.59 -0.67 0.04 -1.96 -3.26 116.94 127.04 2crg h PHE 30 Ca -0.07 -0.34 -0.02 0.00 2.80 0.00 0.00 57.97 60.33 2crg h PHE 30 Cb 1.11 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.16 2crg h PHE 30 CO 1.12 1.14 -0.41 -0.91 -0.60 0.00 0.00 178.31 178.65 2crg h ASN 31 N 0.30 -1.06 -0.89 2.17 2.35 -1.94 0.30 115.58 116.81 2crg h ASN 31 Ca -0.06 0.07 0.20 0.00 -0.55 0.00 0.00 56.30 55.96 2crg h ASN 31 Cb 1.47 0.32 -0.17 0.00 0.05 0.00 0.00 38.32 39.99 2crg h ASN 31 CO 0.15 -0.60 -0.12 0.44 -1.65 0.00 0.00 177.43 175.65 2crg h ASP 32 N -0.95 -0.65 0.00 5.81 5.19 -1.97 0.31 116.42 124.16 2crg h ASP 32 Ca -0.08 0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 2crg h ASP 32 Cb 0.78 0.50 0.00 0.00 0.18 0.00 0.00 39.33 40.78 2crg h ASP 32 CO 0.05 -0.29 0.00 -0.38 -3.12 0.00 0.00 179.24 175.50 2crg n ILE 33 N -5.51 0.00 -0.08 0.35 5.41 -1.07 -2.80 119.36 115.65 2crg n ILE 33 Ca 0.16 1.20 0.23 0.00 1.00 0.00 0.00 62.75 65.34 2crg n ILE 33 Cb 0.53 -2.15 0.45 0.00 -0.71 0.00 0.00 39.64 37.76 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 0.46 0.38 2.43 -0.58 0.14 114.38 117.21 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 -0.22 0.37 -1.51 0.00 0.00 179.97 178.61 2crg h GLN 35 N 0.00 -0.60 0.00 0.20 4.15 -0.22 -2.87 115.11 115.77 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 2.45 0.14 0.00 0.00 0.21 0.00 0.00 27.48 30.28 2crg h GLN 35 CO -0.00 -0.40 -0.73 -0.25 -1.93 0.00 0.00 178.83 175.52 2crg n ASP 36 N -4.00 1.56 -0.07 -0.69 8.00 -0.05 -4.25 116.55 117.05 2crg n ASP 36 Ca -0.08 0.26 -0.02 0.00 0.71 0.00 0.00 54.79 55.66 2crg n ASP 36 Cb 0.25 -0.64 -0.02 0.00 -0.02 0.00 0.00 41.12 40.69 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 -4.06 -0.08 -3.67 1.24 3.01 0.29 -3.74 117.46 110.45 2crg n PHE 37 Ca -0.10 0.21 -0.30 0.00 1.01 0.00 0.00 57.45 58.28 2crg n PHE 37 Cb 0.38 -0.39 -0.14 0.00 -0.01 0.00 0.00 39.48 39.32 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 -6.45 2.11 0.12 4.37 1.43 -1.08 -4.99 118.68 114.19 2crg s LEU 38 Ca -0.02 -2.08 -0.13 0.00 -1.03 0.00 0.00 54.13 50.87 2crg s LEU 38 Cb 0.02 -0.82 -0.07 0.00 0.03 0.00 0.00 46.19 45.35 2crg s LEU 38 CO 0.11 -0.34 1.45 1.55 0.23 0.00 0.00 176.35 179.34 2crg h PRO 39 N 7.42 0.80 -0.20 1.29 0.13 -1.59 -3.26 132.00 136.58 2crg h PRO 39 Ca -0.06 -0.42 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 2crg h PRO 39 Cb 0.97 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 2crg h PRO 39 CO 0.44 1.05 -0.06 0.11 -0.23 0.00 0.00 178.00 179.31 2crg h TRP 40 N 0.58 0.45 -3.11 1.56 0.09 -1.93 -3.44 115.95 110.14 2crg h TRP 40 Ca 0.05 -0.10 -0.57 0.00 0.09 0.00 0.00 58.89 58.36 2crg h TRP 40 Cb 0.90 -0.11 0.10 0.00 0.08 0.00 0.00 29.16 30.13 2crg h TRP 40 CO 0.07 0.66 0.49 1.63 0.09 0.00 0.00 178.44 181.37 2crg n LYS 41 N -4.61 2.03 -1.23 0.12 4.76 -1.23 -4.96 118.16 113.04 2crg n LYS 41 Ca -0.05 0.71 -0.30 0.00 -2.87 0.00 0.00 58.31 55.81 2crg n LYS 41 Cb 0.29 -2.29 0.13 0.00 -1.84 0.00 0.00 35.03 31.32 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 -0.22 3.64 -0.01 4.39 0.01 -1.26 -4.91 113.70 115.33 2crg s SER 42 Ca 0.58 1.50 -0.11 0.00 1.31 0.00 0.00 55.95 59.24 2crg s SER 42 Cb -0.60 -2.19 -0.06 0.00 0.21 0.00 0.00 66.02 63.39 2crg s SER 42 CO 0.60 -2.54 0.69 0.25 0.41 0.00 0.00 173.24 172.65 2crg h LEU 43 N -1.48 -0.32 -0.26 2.44 5.85 -1.94 -3.15 115.31 116.44 2crg h LEU 43 Ca -0.49 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.25 2crg h LEU 43 Cb 1.28 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 2crg h LEU 43 CO 0.55 -0.11 0.16 0.74 -0.34 0.00 0.00 178.44 179.44 2crg h THR 44 N -0.62 1.05 -0.98 1.05 2.02 -1.98 -2.56 112.91 110.89 2crg h THR 44 Ca -0.04 -0.12 0.33 0.00 0.77 0.00 0.00 66.41 67.36 2crg h THR 44 Cb 0.29 0.68 -0.17 0.00 -1.74 0.00 0.00 68.15 67.21 2crg h THR 44 CO 0.06 0.06 0.32 -1.28 0.37 0.00 0.00 175.52 175.05 2crg h SER 45 N 0.34 0.01 0.55 4.18 0.87 -1.97 1.74 113.55 119.28 2crg h SER 45 Ca 0.10 0.25 -0.13 0.00 -1.23 0.00 0.00 61.79 60.78 2crg h SER 45 Cb -0.02 0.33 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 2crg h SER 45 CO -0.03 -0.34 -0.59 0.40 -0.53 0.00 0.00 176.83 175.74 2crg h ILE 46 N 0.07 1.42 0.56 2.23 2.04 -1.42 -3.28 117.51 119.13 2crg h ILE 46 Ca 0.71 -2.01 -0.03 0.00 1.00 0.00 0.00 64.86 64.53 2crg h ILE 46 Cb 1.67 2.07 0.01 0.00 -0.74 0.00 0.00 36.82 39.83 2crg h ILE 46 CO -0.79 0.58 -0.27 0.40 0.00 0.00 0.00 178.15 178.07 2crg h ILE 47 N 0.03 0.37 -1.30 -0.67 2.04 0.28 -2.87 117.51 115.37 2crg h ILE 47 Ca -0.01 -0.29 0.41 0.00 1.00 0.00 0.00 64.86 65.97 2crg h ILE 47 Cb 1.05 0.47 -0.11 0.00 -0.74 0.00 0.00 36.82 37.48 2crg h ILE 47 CO 0.08 0.04 0.86 -0.33 0.00 0.00 0.00 178.15 178.79 2crg h GLU 48 N -0.95 0.13 -0.47 2.37 4.39 -1.36 1.19 114.58 119.87 2crg h GLU 48 Ca -0.08 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.55 2crg h GLU 48 Cb 0.64 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 2crg h GLU 48 CO 0.13 0.08 0.02 -0.92 -1.16 0.00 0.00 179.01 177.16 2crg h TYR 49 N 0.13 0.81 -0.93 4.33 5.03 -1.57 -2.74 116.97 122.03 2crg h TYR 49 Ca 0.77 -0.11 -0.00 0.00 2.58 0.00 0.00 58.73 61.97 2crg h TYR 49 Cb 2.43 -0.23 -0.05 0.00 1.55 0.00 0.00 36.73 40.44 2crg h TYR 49 CO -0.00 0.75 0.58 -0.92 -1.32 0.00 0.00 178.16 177.24 2crg h TYR 50 N 0.72 1.21 0.16 -3.82 3.20 0.15 -2.43 116.97 116.17 2crg h TYR 50 Ca 0.14 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.03 2crg h TYR 50 Cb 0.42 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 2crg h TYR 50 CO 0.02 0.79 -0.23 1.88 -1.64 0.00 0.00 178.16 178.98 2crg h TYR 51 N 1.28 -0.61 0.46 -3.82 0.05 -1.33 0.29 116.97 113.28 2crg h TYR 51 Ca 0.34 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.11 2crg h TYR 51 Cb -0.08 0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 2crg h TYR 51 CO 0.00 -0.33 -0.48 1.98 -1.05 0.00 0.00 178.16 178.28 2crg h MET 52 N -0.46 -0.92 -0.60 4.88 4.05 -1.49 -2.16 114.93 118.24 2crg h MET 52 Ca 0.02 0.06 0.10 0.00 -0.28 0.00 0.00 59.70 59.60 2crg h MET 52 Cb 0.46 0.21 -0.08 0.00 -0.80 0.00 0.00 31.60 31.39 2crg h MET 52 CO -0.10 -0.61 0.19 2.35 0.23 0.00 0.00 176.91 178.96 2crg h TRP 53 N -0.95 0.31 -0.20 1.39 7.01 -1.35 0.27 115.95 122.43 2crg h TRP 53 Ca -0.05 0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.02 2crg h TRP 53 Cb 0.84 -0.05 -0.07 0.00 -2.10 0.00 0.00 29.16 27.78 2crg h TRP 53 CO -0.25 0.04 -0.53 -0.22 -2.79 0.00 0.00 178.44 174.69 2crg h LYS 54 N 0.34 -0.52 -0.59 2.65 3.64 -0.07 -1.61 116.57 120.42 2crg h LYS 54 Ca 0.31 0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.64 2crg h LYS 54 Cb 0.41 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 2crg h LYS 54 CO -0.34 -0.34 0.03 1.79 -2.27 0.00 0.00 179.45 178.32 2crg h THR 55 N -0.53 1.26 -0.65 1.00 1.35 -0.97 -3.13 112.91 111.23 2crg h THR 55 Ca 0.05 -1.08 0.12 0.00 -0.55 0.00 0.00 66.41 64.95 2crg h THR 55 Cb 0.66 0.77 -0.12 0.00 -1.73 0.00 0.00 68.15 67.73 2crg h THR 55 CO -0.47 0.39 -0.30 0.74 -0.25 0.00 0.00 175.52 175.64 2crg h THR 56 N 0.92 0.19 -6.70 6.82 2.02 0.44 -3.45 112.91 113.16 2crg h THR 56 Ca 0.17 0.00 -0.54 0.00 0.77 0.00 0.00 66.41 66.81 2crg h THR 56 Cb 0.49 0.19 -0.18 0.00 -1.74 0.00 0.00 68.15 66.91 2crg h THR 56 CO 0.02 0.00 -0.85 0.47 0.37 0.00 0.00 175.52 175.54 2crg n ASP 57 N -5.45 -2.68 -0.10 4.18 8.00 -0.76 -4.86 116.55 114.88 2crg n ASP 57 Ca 0.06 -1.01 -0.22 0.00 0.71 0.00 0.00 54.79 54.32 2crg n ASP 57 Cb 0.36 -2.80 -0.12 0.00 -0.02 0.00 0.00 41.12 38.55 2crg n ASP 57 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2crg n ARG 58 N -4.40 0.58 -3.74 -1.24 0.63 -1.26 -4.73 116.66 102.50 2crg n ARG 58 Ca -0.01 0.54 -0.28 0.00 -0.92 0.00 0.00 57.85 57.18 2crg n ARG 58 Cb 0.53 -1.73 -0.12 0.00 0.45 0.00 0.00 32.46 31.59 2crg n ARG 58 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 2crg s TYR 59 N -2.39 2.68 0.17 -0.14 5.04 -1.26 -5.10 117.35 116.35 2crg s TYR 59 Ca -0.29 -2.95 -0.00 0.00 -2.44 0.00 0.00 57.07 51.39 2crg s TYR 59 Cb 0.06 -2.12 -0.04 0.00 0.35 0.00 0.00 41.96 40.21 2crg s TYR 59 CO 0.60 -0.66 0.34 0.54 -1.34 0.00 0.00 175.55 175.03 2crg s VAL 60 N -0.78 5.26 0.58 3.14 0.11 -1.26 -5.06 120.40 122.39 2crg s VAL 60 Ca 0.26 -0.42 -0.18 0.00 -2.93 0.00 0.00 61.98 58.71 2crg s VAL 60 Cb -0.05 -3.71 -0.10 0.00 -1.53 0.00 0.00 36.38 30.99 2crg s VAL 60 CO -0.15 -0.10 0.36 0.00 -3.33 0.00 0.00 175.10 171.88 2crg n GLN 61 N -0.45 0.37 -2.54 1.54 1.13 -1.26 -4.89 117.38 111.27 2crg n GLN 61 Ca -0.05 0.15 -0.41 0.00 -1.94 0.00 0.00 57.00 54.74 2crg n GLN 61 Cb 0.53 -1.55 -0.04 0.00 0.11 0.00 0.00 30.24 29.30 2crg n GLN 61 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2crg s GLN 62 N -1.92 4.59 -0.19 -1.09 0.74 -1.26 -5.03 119.66 115.50 2crg s GLN 62 Ca 0.65 1.67 -0.07 0.00 0.05 0.00 0.00 55.36 57.66 2crg s GLN 62 Cb -0.44 -3.30 -0.04 0.00 1.10 0.00 0.00 33.01 30.33 2crg s GLN 62 CO 0.58 0.06 0.06 0.21 -0.55 0.00 0.00 175.29 175.65 2crg s LYS 63 N -0.13 3.95 0.07 1.67 2.20 -1.26 -5.09 119.74 121.14 2crg s LYS 63 Ca 0.50 -0.36 -0.19 0.00 -0.36 0.00 0.00 55.97 55.56 2crg s LYS 63 Cb -0.28 -3.21 0.04 0.00 -1.51 0.00 0.00 37.83 32.87 2crg s LYS 63 CO 0.33 0.24 0.45 0.50 -0.36 0.00 0.00 175.35 176.52 2crg s ARG 64 N 0.45 1.01 -0.95 4.03 6.06 -1.26 -5.08 118.95 123.21 2crg s ARG 64 Ca 0.03 -0.41 -0.24 0.00 -2.50 0.00 0.00 55.73 52.61 2crg s ARG 64 Cb -0.13 0.45 -0.05 0.00 0.06 0.00 0.00 34.95 35.29 2crg s ARG 64 CO 0.01 -0.37 1.93 -1.12 -2.50 0.00 0.00 175.30 173.24 2crg s SER 65 N -2.23 5.19 0.00 -2.12 0.01 -1.26 -4.84 113.70 108.45 2crg s SER 65 Ca -0.03 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.36 2crg s SER 65 Cb -0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2crg s SER 65 CO -0.05 -2.74 0.00 0.61 0.41 0.00 0.00 173.24 171.47 2crg n GLY 66 N 6.69 4.66 3.55 3.44 0.00 -1.26 -5.08 105.19 117.19 2crg n GLY 66 Ca 0.41 -1.32 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 2crg n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crg s PRO 67 N 0.69 2.60 0.89 1.61 0.04 -1.26 -4.97 135.00 134.60 2crg s PRO 67 Ca 0.00 0.22 -0.13 0.00 0.04 0.00 0.00 61.00 61.13 2crg s PRO 67 Cb 0.00 -4.67 0.16 0.00 0.04 0.00 0.00 34.50 30.02 2crg s PRO 67 CO 0.00 -3.00 1.25 0.45 0.04 0.00 0.00 177.00 175.74 2crg s SER 68 N 8.05 3.64 -1.81 6.66 0.15 -1.26 -4.11 113.70 125.02 2crg s SER 68 Ca 0.68 0.37 -0.21 0.00 0.70 0.00 0.00 55.95 57.49 2crg s SER 68 Cb -0.10 -0.58 0.20 0.00 -1.71 0.00 0.00 66.02 63.83 2crg s SER 68 CO 0.12 -2.41 0.59 -1.54 1.20 0.00 0.00 173.24 171.20 2crg n SER 69 N -3.55 -1.93 0.00 5.45 3.41 -1.26 -5.30 113.62 110.44 2crg n SER 69 Ca 0.13 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 2crg n SER 69 Cb 0.60 -1.89 0.00 0.00 -0.26 0.00 0.00 64.21 62.66 2crg n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49