#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 5.73 -0.26 1.61 0.01 -1.26 -5.07 113.70 114.46 2crg s SER 2 Ca 0.00 0.09 -0.04 0.00 1.31 0.00 0.00 55.95 57.30 2crg s SER 2 Cb 0.00 -1.99 0.14 0.00 0.21 0.00 0.00 66.02 64.38 2crg s SER 2 CO 0.00 0.15 0.50 -0.44 0.41 0.00 0.00 173.24 173.86 2crg s SER 3 N 0.51 -0.58 0.00 2.44 0.01 -1.26 -5.10 113.70 109.72 2crg s SER 3 Ca 0.04 0.81 0.00 0.00 1.31 0.00 0.00 55.95 58.11 2crg s SER 3 Cb -0.12 1.67 0.00 0.00 0.21 0.00 0.00 66.02 67.78 2crg s SER 3 CO 0.01 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.01 2crg n GLY 4 N 5.40 -1.32 3.02 3.44 0.00 -1.26 -5.15 105.19 109.33 2crg n GLY 4 Ca -0.05 0.94 -0.07 0.00 0.00 0.00 0.00 46.02 46.84 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 -0.10 0.05 1.61 0.01 -1.26 -5.15 113.70 108.86 2crg s SER 5 Ca 0.00 0.48 -0.18 0.00 1.31 0.00 0.00 55.95 57.56 2crg s SER 5 Cb 0.00 1.32 -0.06 0.00 0.21 0.00 0.00 66.02 67.49 2crg s SER 5 CO 0.00 -0.28 0.51 -0.44 0.41 0.00 0.00 173.24 173.44 2crg s SER 6 N 2.61 6.98 0.00 2.44 0.01 -1.26 -4.85 113.70 119.62 2crg s SER 6 Ca 0.11 1.16 0.00 0.00 1.31 0.00 0.00 55.95 58.53 2crg s SER 6 Cb -0.15 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2crg s SER 6 CO -0.16 0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.39 2crg n GLY 7 N 1.75 0.22 3.33 3.44 0.00 -1.26 -5.12 105.19 107.54 2crg n GLY 7 Ca -0.12 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 1.46 0.49 1.61 1.00 -1.26 -5.18 119.30 117.42 2crg s MET 8 Ca 0.00 -1.64 0.06 0.00 0.00 0.00 0.00 55.69 54.11 2crg s MET 8 Cb 0.00 0.34 0.03 0.00 0.00 0.00 0.00 34.83 35.20 2crg s MET 8 CO 0.00 -0.54 0.67 -1.21 0.00 0.00 0.00 175.02 173.94 2crg s GLU 9 N -3.86 2.64 -0.13 2.03 2.02 -1.26 -5.12 118.70 115.02 2crg s GLU 9 Ca 0.35 -1.17 -0.04 0.00 0.02 0.00 0.00 54.97 54.14 2crg s GLU 9 Cb 0.04 -2.66 0.06 0.00 0.10 0.00 0.00 34.13 31.67 2crg s GLU 9 CO 0.15 -0.51 0.18 -1.21 0.02 0.00 0.00 175.26 173.89 2crg s GLU 10 N -4.53 0.09 -0.21 1.61 2.02 -1.26 -5.12 118.70 111.29 2crg s GLU 10 Ca 0.57 0.42 -0.00 0.00 0.02 0.00 0.00 54.97 55.97 2crg s GLU 10 Cb -0.09 -0.66 0.06 0.00 0.10 0.00 0.00 34.13 33.53 2crg s GLU 10 CO 0.36 -0.44 -0.04 -1.58 0.02 0.00 0.00 175.26 173.58 2crg s TRP 11 N 2.30 1.99 0.45 1.61 0.52 -1.26 -5.10 118.94 119.45 2crg s TRP 11 Ca 0.04 -1.45 -0.20 0.00 0.02 0.00 0.00 56.10 54.51 2crg s TRP 11 Cb -0.13 -1.42 -0.10 0.00 -1.15 0.00 0.00 33.47 30.66 2crg s TRP 11 CO -0.08 -0.71 0.96 0.45 0.02 0.00 0.00 176.95 177.58 2crg s SER 12 N 1.53 6.85 0.11 2.95 0.15 -1.26 -4.71 113.70 119.33 2crg s SER 12 Ca -0.04 1.65 -0.22 0.00 0.70 0.00 0.00 55.95 58.04 2crg s SER 12 Cb -0.18 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.55 2crg s SER 12 CO -0.07 -0.42 1.15 0.00 1.20 0.00 0.00 173.24 175.11 2crg n ALA 13 N -0.88 -0.45 -0.28 5.45 0.00 -1.26 0.62 120.51 123.71 2crg n ALA 13 Ca 0.07 0.60 0.01 0.00 0.00 0.00 0.00 53.44 54.12 2crg n ALA 13 Cb 0.54 -0.07 0.08 0.00 0.00 0.00 0.00 19.45 20.00 2crg n ALA 13 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2crg h SER 14 N 0.00 -0.84 0.25 0.00 0.02 -2.00 -0.49 113.55 110.48 2crg h SER 14 Ca 0.11 0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 61.29 2crg h SER 14 Cb 0.29 0.52 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2crg h SER 14 CO -0.67 -0.27 -0.12 -0.33 -1.14 0.00 0.00 176.83 174.30 2crg h GLU 15 N -0.02 -0.32 -0.87 3.45 5.08 -0.17 -2.07 114.58 119.65 2crg h GLU 15 Ca 0.36 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.93 2crg h GLU 15 Cb 0.58 0.07 -0.16 0.00 0.50 0.00 0.00 28.75 29.74 2crg h GLU 15 CO -0.82 -0.11 -0.14 0.00 -1.00 0.00 0.00 179.01 176.95 2crg h ALA 16 N 0.22 0.71 -0.30 3.43 0.00 0.82 0.22 119.26 124.36 2crg h ALA 16 Ca -0.03 0.32 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2crg h ALA 16 Cb 0.37 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2crg h ALA 16 CO 0.06 -0.43 0.05 0.00 0.00 0.00 0.00 179.25 178.93 2crg h LEU 18 N 0.31 0.49 0.58 0.00 3.38 0.12 -2.34 115.31 117.87 2crg h LEU 18 Ca 0.09 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 2crg h LEU 18 Cb 0.34 0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.17 2crg h LEU 18 CO 0.01 0.08 -0.28 0.15 0.09 0.00 0.00 178.44 178.49 2crg h PHE 19 N 0.51 -0.73 -0.79 1.13 3.57 -1.10 -0.00 116.94 119.53 2crg h PHE 19 Ca 0.57 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 62.15 2crg h PHE 19 Cb 1.04 0.24 -0.11 0.00 2.79 0.00 0.00 35.95 39.91 2crg h PHE 19 CO -0.08 -0.45 -0.38 0.39 -2.23 0.00 0.00 178.31 175.56 2crg n GLU 20 N -4.13 -0.26 0.02 1.11 1.02 -0.91 0.23 120.64 117.73 2crg n GLU 20 Ca -0.10 1.21 0.01 0.00 -0.02 0.00 0.00 57.16 58.26 2crg n GLU 20 Cb 0.31 -1.78 0.33 0.00 -0.02 0.00 0.00 31.44 30.27 2crg n GLU 20 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2crg h GLU 21 N 0.00 0.47 -0.26 3.49 4.11 -1.46 -2.85 114.58 118.09 2crg h GLU 21 Ca 0.21 -0.09 0.04 0.00 0.07 0.00 0.00 59.36 59.59 2crg h GLU 21 Cb 0.41 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 2crg h GLU 21 CO -0.77 0.50 -0.00 0.00 0.07 0.00 0.00 179.01 178.81 2crg h ALA 22 N 1.55 0.22 -0.52 1.06 0.00 0.49 0.15 119.26 122.22 2crg h ALA 22 Ca 0.10 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2crg h ALA 22 Cb 0.31 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2crg h ALA 22 CO 0.01 -0.42 0.15 1.25 0.00 0.00 0.00 179.25 180.24 2crg h LEU 23 N 0.07 0.71 -0.46 0.00 5.85 -1.01 0.48 115.31 120.97 2crg h LEU 23 Ca 0.12 -0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 2crg h LEU 23 Cb 0.16 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2crg h LEU 23 CO -0.21 0.69 -0.19 -0.33 -0.34 0.00 0.00 178.44 178.06 2crg h GLU 24 N 0.75 0.94 0.04 1.25 5.08 -1.13 -1.60 114.58 119.91 2crg h GLU 24 Ca 0.17 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2crg h GLU 24 Cb 0.24 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2crg h GLU 24 CO -0.01 1.06 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.82 2crg h LYS 25 N 0.78 -0.06 0.00 2.33 3.64 -0.39 -3.43 116.57 119.44 2crg h LYS 25 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2crg h LYS 25 Cb 0.76 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2crg h LYS 25 CO 0.06 -0.04 -0.20 1.88 -2.27 0.00 0.00 179.45 178.88 2crg h TYR 26 N -0.66 0.00 0.00 1.91 0.05 -0.20 -3.51 116.97 114.55 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 1.73 -0.62 0.54 3.88 0.00 -0.60 -4.48 105.19 105.64 2crg n GLY 27 Ca -0.03 -2.01 0.32 0.00 0.00 0.00 0.00 46.02 44.30 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 0.01 -1.69 1.61 4.76 -1.26 -3.94 118.16 117.65 2crg n LYS 28 Ca 0.00 0.98 -0.17 0.00 -2.87 0.00 0.00 58.31 56.25 2crg n LYS 28 Cb 0.00 -2.41 -0.08 0.00 -1.84 0.00 0.00 35.03 30.71 2crg n LYS 28 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2crg s ASP 29 N -3.52 4.08 0.18 4.39 -1.08 -1.26 -4.72 116.67 114.74 2crg s ASP 29 Ca -0.03 -0.40 -0.03 0.00 -0.52 0.00 0.00 52.55 51.57 2crg s ASP 29 Cb 0.16 -2.56 0.08 0.00 -1.46 0.00 0.00 42.92 39.14 2crg s ASP 29 CO 0.53 -3.83 1.48 -0.26 0.52 0.00 0.00 175.17 173.61 2crg h PHE 30 N 12.03 0.69 0.07 -5.34 0.04 -1.94 -3.23 116.94 119.26 2crg h PHE 30 Ca 0.03 -0.26 0.02 0.00 2.80 0.00 0.00 57.97 60.57 2crg h PHE 30 Cb 1.00 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 38.97 2crg h PHE 30 CO 1.14 1.00 -0.44 -0.91 -0.60 0.00 0.00 178.31 178.51 2crg h ASN 31 N 0.40 -1.31 -0.51 2.17 2.35 -1.93 0.19 115.58 116.95 2crg h ASN 31 Ca -0.00 0.15 0.10 0.00 -0.55 0.00 0.00 56.30 56.00 2crg h ASN 31 Cb 1.16 0.50 -0.10 0.00 0.05 0.00 0.00 38.32 39.93 2crg h ASN 31 CO 0.11 -0.49 -0.13 -0.78 -1.65 0.00 0.00 177.43 174.49 2crg h ASP 32 N -0.64 -0.48 0.07 5.81 1.82 -1.97 0.51 116.42 121.54 2crg h ASP 32 Ca 0.03 0.15 -0.00 0.00 -0.39 0.00 0.00 57.03 56.82 2crg h ASP 32 Cb 0.68 0.32 0.00 0.00 0.68 0.00 0.00 39.33 41.01 2crg h ASP 32 CO -0.28 -0.17 -0.03 0.40 -1.61 0.00 0.00 179.24 177.55 2crg h ILE 33 N -0.00 0.00 -0.33 2.25 2.04 -1.43 -2.49 117.51 117.54 2crg h ILE 33 Ca 0.24 -0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.20 2crg h ILE 33 Cb 0.37 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 2crg h ILE 33 CO -0.52 0.00 0.81 -0.09 0.00 0.00 0.00 178.15 178.35 2crg h ARG 34 N -0.09 0.00 0.34 2.37 2.43 -0.52 0.24 114.38 119.14 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 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2crg h ARG 34 CO 0.02 0.00 -0.16 0.37 -1.51 0.00 0.00 179.97 178.68 2crg h GLN 35 N 0.00 -0.43 0.00 0.20 5.75 -0.46 -2.93 115.11 117.24 2crg h GLN 35 Ca 0.16 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.69 2crg h GLN 35 Cb 1.78 0.10 0.00 0.00 1.07 0.00 0.00 27.48 30.43 2crg h GLN 35 CO -0.00 -0.29 -0.89 -0.25 -2.65 0.00 0.00 178.83 174.75 2crg n ASP 36 N -3.96 1.82 -0.13 -0.69 8.00 -0.28 -4.17 116.55 117.13 2crg n ASP 36 Ca -0.06 0.30 -0.03 0.00 0.71 0.00 0.00 54.79 55.72 2crg n ASP 36 Cb 0.18 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 40.55 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 -4.32 -0.13 -3.67 1.24 3.01 0.69 -3.80 117.46 110.47 2crg n PHE 37 Ca -0.12 0.38 -0.30 0.00 1.01 0.00 0.00 57.45 58.42 2crg n PHE 37 Cb 0.46 -0.46 -0.13 0.00 -0.01 0.00 0.00 39.48 39.33 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 -7.27 2.22 0.32 4.37 1.43 -0.89 -4.97 118.68 113.89 2crg s LEU 38 Ca -0.04 -2.22 0.12 0.00 -1.03 0.00 0.00 54.13 50.96 2crg s LEU 38 Cb 0.03 -0.86 0.55 0.00 0.03 0.00 0.00 46.19 45.94 2crg s LEU 38 CO 0.19 -0.32 1.72 1.55 0.23 0.00 0.00 176.35 179.72 2crg h PRO 39 N 7.23 0.00 0.05 1.29 0.13 -1.61 -3.21 132.00 135.88 2crg h PRO 39 Ca -0.04 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.94 2crg h PRO 39 Cb 0.96 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.11 2crg h PRO 39 CO 0.44 0.49 -0.61 0.11 -0.23 0.00 0.00 178.00 178.20 2crg h TRP 40 N 0.00 0.52 -3.57 1.56 0.09 -1.93 -3.46 115.95 109.16 2crg h TRP 40 Ca -0.00 -0.32 -0.56 0.00 0.09 0.00 0.00 58.89 58.10 2crg h TRP 40 Cb 0.87 -0.05 0.17 0.00 0.08 0.00 0.00 29.16 30.24 2crg h TRP 40 CO 0.00 1.17 -0.01 1.63 0.09 0.00 0.00 178.44 181.32 2crg n LYS 41 N -4.24 0.58 -2.15 0.12 4.76 -1.21 -5.00 118.16 111.03 2crg n LYS 41 Ca -0.11 0.24 -0.27 0.00 -2.87 0.00 0.00 58.31 55.30 2crg n LYS 41 Cb 0.70 -2.10 0.12 0.00 -1.84 0.00 0.00 35.03 31.90 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 -1.47 4.06 -0.03 4.39 0.01 -1.26 -4.93 113.70 114.47 2crg s SER 42 Ca 0.73 0.26 -0.17 0.00 1.31 0.00 0.00 55.95 58.08 2crg s SER 42 Cb -0.37 -0.61 -0.09 0.00 0.21 0.00 0.00 66.02 65.15 2crg s SER 42 CO 0.51 -2.10 0.70 0.25 0.41 0.00 0.00 173.24 173.01 2crg h LEU 43 N -1.02 -0.52 -0.08 2.44 7.12 -1.95 -3.21 115.31 118.10 2crg h LEU 43 Ca -0.43 0.02 -0.02 0.00 0.13 0.00 0.00 57.88 57.58 2crg h LEU 43 Cb 1.28 0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 41.54 2crg h LEU 43 CO 0.49 -0.10 -0.01 0.74 -0.13 0.00 0.00 178.44 179.43 2crg h THR 44 N -1.15 1.28 -0.89 1.05 2.02 -1.99 -3.21 112.91 110.02 2crg h THR 44 Ca -0.06 -0.90 0.14 0.00 0.77 0.00 0.00 66.41 66.36 2crg h THR 44 Cb 0.47 1.72 -0.15 0.00 -1.74 0.00 0.00 68.15 68.46 2crg h THR 44 CO 0.10 0.25 -0.34 -1.54 0.37 0.00 0.00 175.52 174.37 2crg n SER 45 N -4.81 -0.56 -0.24 4.18 3.41 -1.26 0.20 113.62 114.54 2crg n SER 45 Ca -0.07 1.55 0.05 0.00 -0.26 0.00 0.00 58.87 60.14 2crg n SER 45 Cb 0.22 -0.36 0.29 0.00 -0.26 0.00 0.00 64.21 64.10 2crg n SER 45 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2crg h ILE 46 N 0.00 1.05 0.49 -1.33 2.04 -1.56 -2.74 117.51 115.45 2crg h ILE 46 Ca 0.32 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2crg h ILE 46 Cb 0.54 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2crg h ILE 46 CO -0.89 0.16 -0.23 0.40 0.00 0.00 0.00 178.15 177.60 2crg h ILE 47 N 0.90 0.51 -0.81 -0.67 2.04 0.22 -2.99 117.51 116.72 2crg h ILE 47 Ca 0.35 -0.13 0.21 0.00 1.00 0.00 0.00 64.86 66.28 2crg h ILE 47 Cb 0.22 0.57 -0.15 0.00 -0.74 0.00 0.00 36.82 36.72 2crg h ILE 47 CO -0.12 0.02 -0.04 -0.62 0.00 0.00 0.00 178.15 177.39 2crg n GLU 48 N -5.34 -0.07 -0.26 2.37 1.02 -0.47 0.18 120.64 118.07 2crg n GLU 48 Ca -0.12 1.23 0.06 0.00 -0.02 0.00 0.00 57.16 58.31 2crg n GLU 48 Cb 0.29 -1.92 0.19 0.00 -0.02 0.00 0.00 31.44 29.98 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 0.42 -0.92 -0.32 5.03 -1.54 0.68 116.97 120.32 2crg h TYR 49 Ca 0.46 0.04 0.24 0.00 2.58 0.00 0.00 58.73 62.05 2crg h TYR 49 Cb 0.90 -0.07 -0.13 0.00 1.55 0.00 0.00 36.73 38.98 2crg h TYR 49 CO -0.47 -0.01 0.42 -0.92 -1.32 0.00 0.00 178.16 175.86 2crg h TYR 50 N 0.36 0.70 0.16 -3.82 3.20 0.18 1.10 116.97 118.85 2crg h TYR 50 Ca 0.42 0.04 -0.22 0.00 3.14 0.00 0.00 58.73 62.12 2crg h TYR 50 Cb 0.69 -0.16 0.03 0.00 1.54 0.00 0.00 36.73 38.83 2crg h TYR 50 CO -0.20 -0.07 -0.95 1.88 -1.64 0.00 0.00 178.16 177.18 2crg h TYR 51 N 0.39 0.65 0.00 -3.82 0.05 -0.97 -2.84 116.97 110.44 2crg h TYR 51 Ca 0.59 -0.47 0.00 0.00 0.05 0.00 0.00 58.73 58.90 2crg h TYR 51 Cb 1.16 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.87 2crg h TYR 51 CO -0.12 1.36 0.00 0.00 -1.05 0.00 0.00 178.16 178.35 2crg n MET 52 N -4.04 0.17 -0.00 4.88 0.00 -0.12 0.02 117.12 118.02 2crg n MET 52 Ca -0.14 0.46 -0.18 0.00 0.00 0.00 0.00 57.70 57.83 2crg n MET 52 Cb 0.88 -1.86 -0.14 0.00 0.00 0.00 0.00 33.22 32.10 2crg n MET 52 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 175.97 177.84 2crg n TRP 53 N -2.19 1.19 0.05 3.17 -0.00 0.37 -3.40 117.44 116.63 2crg n TRP 53 Ca 0.01 0.29 -0.15 0.00 -0.00 0.00 0.00 57.50 57.65 2crg n TRP 53 Cb 0.18 -1.17 -0.14 0.00 -0.00 0.00 0.00 31.31 30.19 2crg n TRP 53 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 177.69 179.26 2crg h LYS 54 N 0.05 0.19 -0.31 5.87 2.10 -1.23 -3.33 116.57 119.91 2crg h LYS 54 Ca -0.39 -0.33 -0.11 0.00 -2.00 0.00 0.00 60.65 57.82 2crg h LYS 54 Cb 2.03 0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 33.47 2crg h LYS 54 CO 0.09 1.03 -0.26 1.79 -2.00 0.00 0.00 179.45 180.10 2crg h THR 55 N 0.05 1.27 -1.99 0.07 1.35 -0.60 -3.44 112.91 109.62 2crg h THR 55 Ca -0.22 -1.34 -0.63 0.00 -0.55 0.00 0.00 66.41 63.67 2crg h THR 55 Cb 1.99 1.31 0.05 0.00 -1.73 0.00 0.00 68.15 69.77 2crg h THR 55 CO 0.15 0.43 0.69 0.35 -0.25 0.00 0.00 175.52 176.89 2crg n THR 56 N -4.11 0.05 -0.25 6.82 -2.24 -1.22 -4.78 114.28 108.56 2crg n THR 56 Ca -0.00 -0.01 0.25 0.00 -2.27 0.00 0.00 64.05 62.01 2crg n THR 56 Cb 0.43 -1.27 0.45 0.00 -2.10 0.00 0.00 70.33 67.85 2crg n THR 56 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2crg n ASP 57 N 3.37 0.26 -3.29 3.42 5.75 -1.26 -4.55 116.55 120.24 2crg n ASP 57 Ca 0.18 1.24 -0.35 0.00 -0.01 0.00 0.00 54.79 55.86 2crg n ASP 57 Cb 0.24 -0.61 -0.02 0.00 -1.03 0.00 0.00 41.12 39.71 2crg n ASP 57 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2crg n ARG 58 N -4.68 0.00 -4.19 0.11 3.00 -1.26 -0.05 116.66 109.60 2crg n ARG 58 Ca 0.29 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.78 2crg n ARG 58 Cb 0.99 -0.75 -0.02 0.00 0.00 0.00 0.00 32.46 32.67 2crg n ARG 58 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2crg n TYR 59 N -0.25 -1.79 -0.32 -0.14 4.01 -1.26 -4.77 117.16 112.64 2crg n TYR 59 Ca 0.12 0.81 0.27 0.00 -0.16 0.00 0.00 57.90 58.94 2crg n TYR 59 Cb 0.23 -3.07 0.51 0.00 -0.31 0.00 0.00 39.34 36.69 2crg n TYR 59 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 2crg n VAL 60 N -4.41 -0.41 -1.34 -0.72 3.14 0.93 -4.43 118.33 111.10 2crg n VAL 60 Ca 0.06 2.01 -0.52 0.00 -2.96 0.00 0.00 64.34 62.92 2crg n VAL 60 Cb 0.50 -3.18 -0.13 0.00 -1.06 0.00 0.00 33.84 29.97 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 -5.25 0.00 -3.68 1.45 6.02 -1.26 -4.87 117.38 109.78 2crg n GLN 61 Ca 0.34 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 57.23 2crg n GLN 61 Cb 1.14 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 30.81 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 7.10 0.40 -0.10 -1.09 0.74 -1.26 -5.13 119.66 120.33 2crg s GLN 62 Ca 1.25 0.91 -0.30 0.00 0.05 0.00 0.00 55.36 57.28 2crg s GLN 62 Cb -1.40 0.11 -0.04 0.00 1.10 0.00 0.00 33.01 32.79 2crg s GLN 62 CO 0.59 -0.19 1.44 0.21 -0.55 0.00 0.00 175.29 176.79 2crg s LYS 63 N 1.80 4.22 0.02 1.67 2.47 -1.26 -4.86 119.74 123.79 2crg s LYS 63 Ca -0.07 1.91 -0.02 0.00 -1.56 0.00 0.00 55.97 56.23 2crg s LYS 63 Cb -0.09 -3.84 -0.01 0.00 -1.46 0.00 0.00 37.83 32.43 2crg s LYS 63 CO -0.14 -0.75 -0.05 0.54 0.16 0.00 0.00 175.35 175.12 2crg n ARG 64 N 6.68 0.07 -1.62 4.03 1.74 -1.26 -5.00 116.66 121.30 2crg n ARG 64 Ca 0.15 0.03 -0.54 0.00 -0.77 0.00 0.00 57.85 56.73 2crg n ARG 64 Cb 0.44 -0.62 -0.07 0.00 -1.02 0.00 0.00 32.46 31.19 2crg n ARG 64 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2crg n SER 65 N -3.43 2.52 0.00 0.55 3.41 -1.26 -4.66 113.62 110.75 2crg n SER 65 Ca -0.04 0.85 0.00 0.00 -0.26 0.00 0.00 58.87 59.42 2crg n SER 65 Cb 0.27 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 2crg n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crg n GLY 66 N 5.02 -0.50 3.57 5.00 0.00 -1.26 -5.05 105.19 111.97 2crg n GLY 66 Ca 0.31 0.46 -0.28 0.00 0.00 0.00 0.00 46.02 46.51 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 0.48 2.52 0.66 1.61 0.04 -1.26 -4.94 135.00 134.10 2crg s PRO 67 Ca 0.00 -0.84 -0.04 0.00 0.04 0.00 0.00 61.00 60.17 2crg s PRO 67 Cb 0.00 -5.18 0.06 0.00 0.04 0.00 0.00 34.50 29.42 2crg s PRO 67 CO 0.00 -3.75 0.94 0.45 0.04 0.00 0.00 177.00 174.68 2crg s SER 68 N 7.07 4.90 0.52 6.66 0.15 -1.26 -5.11 113.70 126.64 2crg s SER 68 Ca 0.69 0.24 0.07 0.00 0.70 0.00 0.00 55.95 57.65 2crg s SER 68 Cb -0.03 -0.94 0.05 0.00 -1.71 0.00 0.00 66.02 63.39 2crg s SER 68 CO 0.08 -1.49 0.72 -0.55 1.20 0.00 0.00 173.24 173.20 2crg s SER 69 N -4.51 5.28 0.00 5.45 0.15 -1.26 -5.30 113.70 113.51 2crg s SER 69 Ca 0.60 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.76 2crg s SER 69 Cb -0.10 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 2crg s SER 69 CO 0.43 -1.13 0.00 0.61 1.20 0.00 0.00 173.24 174.35