#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 0.18 0.07 1.61 0.15 -1.26 -5.18 113.70 109.26 2crg s SER 2 Ca 0.00 -1.31 0.01 0.00 0.70 0.00 0.00 55.95 55.34 2crg s SER 2 Cb 0.00 0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 64.64 2crg s SER 2 CO 0.00 -0.83 -0.05 -0.94 1.20 0.00 0.00 173.24 172.62 2crg s SER 3 N -3.12 0.77 -0.29 5.45 1.04 -1.26 -5.16 113.70 111.12 2crg s SER 3 Ca 0.34 -0.90 -0.12 0.00 0.48 0.00 0.00 55.95 55.75 2crg s SER 3 Cb 0.07 0.13 0.12 0.00 0.10 0.00 0.00 66.02 66.43 2crg s SER 3 CO 0.09 -0.47 0.70 -0.83 0.98 0.00 0.00 173.24 173.71 2crg s GLY 4 N -2.65 -0.63 -0.57 7.32 0.00 -1.26 -5.10 107.32 104.42 2crg s GLY 4 Ca 0.04 2.46 -0.30 0.00 0.00 0.00 0.00 44.72 46.92 2crg s GLY 4 CO -0.06 2.85 2.42 -1.26 0.00 0.00 0.00 173.10 177.05 2crg n SER 5 N 4.99 1.74 -3.48 1.64 2.88 -1.26 -4.86 113.62 115.27 2crg n SER 5 Ca -0.15 -0.02 -0.15 0.00 -1.33 0.00 0.00 58.87 57.23 2crg n SER 5 Cb 0.53 -1.31 -0.04 0.00 -0.75 0.00 0.00 64.21 62.64 2crg n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2crg s SER 6 N 9.73 -0.60 1.58 -3.46 0.15 -1.26 -5.10 113.70 114.75 2crg s SER 6 Ca 1.12 0.35 0.00 0.00 0.70 0.00 0.00 55.95 58.12 2crg s SER 6 Cb -0.68 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 2crg s SER 6 CO 0.40 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.66 2crg n GLY 7 N 0.28 3.15 2.90 9.45 0.00 -1.26 -4.62 105.19 115.10 2crg n GLY 7 Ca -0.18 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 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 0.86 0.21 1.61 1.00 -1.26 -5.12 119.30 116.61 2crg s MET 8 Ca 0.00 -0.13 -0.30 0.00 0.00 0.00 0.00 55.69 55.27 2crg s MET 8 Cb 0.00 -0.85 -0.16 0.00 0.00 0.00 0.00 34.83 33.82 2crg s MET 8 CO 0.00 -0.06 0.79 -1.91 0.00 0.00 0.00 175.02 173.84 2crg n GLU 9 N 3.97 0.55 -3.65 2.03 4.07 -1.26 -4.97 120.64 121.39 2crg n GLU 9 Ca -0.25 0.19 -0.28 0.00 -0.06 0.00 0.00 57.16 56.77 2crg n GLU 9 Cb 0.51 -1.41 -0.16 0.00 -0.06 0.00 0.00 31.44 30.32 2crg n GLU 9 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2crg s GLU 10 N -1.01 0.35 0.68 5.31 2.02 -1.26 -5.14 118.70 119.65 2crg s GLU 10 Ca 0.66 -0.42 -0.01 0.00 0.02 0.00 0.00 54.97 55.21 2crg s GLU 10 Cb -0.88 -1.77 0.10 0.00 0.10 0.00 0.00 34.13 31.68 2crg s GLU 10 CO 0.57 -0.79 0.95 -1.58 0.02 0.00 0.00 175.26 174.42 2crg s TRP 11 N 1.98 2.07 0.08 1.61 0.52 -1.26 -5.11 118.94 118.83 2crg s TRP 11 Ca 0.04 -0.11 0.08 0.00 0.02 0.00 0.00 56.10 56.13 2crg s TRP 11 Cb -0.16 -2.98 -0.04 0.00 -1.15 0.00 0.00 33.47 29.14 2crg s TRP 11 CO -0.18 -1.48 -0.19 -1.12 0.02 0.00 0.00 176.95 174.00 2crg s SER 12 N -4.63 3.75 0.23 2.95 0.01 -1.26 -4.98 113.70 109.76 2crg s SER 12 Ca 0.63 -0.53 -0.15 0.00 1.31 0.00 0.00 55.95 57.21 2crg s SER 12 Cb -0.07 -0.52 0.27 0.00 0.21 0.00 0.00 66.02 65.90 2crg s SER 12 CO 0.43 0.21 1.49 0.00 0.41 0.00 0.00 173.24 175.79 2crg n ALA 13 N 1.17 -0.06 -0.14 1.44 0.00 -1.26 0.44 120.51 122.10 2crg n ALA 13 Ca -0.16 0.97 -0.06 0.00 0.00 0.00 0.00 53.44 54.20 2crg n ALA 13 Cb 0.52 -0.46 0.03 0.00 0.00 0.00 0.00 19.45 19.54 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 0.32 -0.25 0.00 0.02 -2.00 -2.19 113.55 109.45 2crg h SER 14 Ca 0.35 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.35 2crg h SER 14 Cb 0.60 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 2crg h SER 14 CO -0.96 0.23 0.10 -0.33 -1.14 0.00 0.00 176.83 174.73 2crg h GLU 15 N 0.44 0.22 0.03 3.45 4.39 -0.41 -1.65 114.58 121.05 2crg h GLU 15 Ca 0.19 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.90 2crg h GLU 15 Cb 0.09 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.64 2crg h GLU 15 CO -0.13 0.14 -0.36 0.00 -1.16 0.00 0.00 179.01 177.51 2crg h ALA 16 N 1.15 -0.56 -0.71 3.43 0.00 -0.33 -1.96 119.26 120.28 2crg h ALA 16 Ca 0.11 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.09 2crg h ALA 16 Cb 0.06 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 2crg h ALA 16 CO -0.10 -0.89 0.33 0.00 0.00 0.00 0.00 179.25 178.59 2crg h LEU 18 N 0.54 -0.16 0.72 0.00 3.38 -0.57 -1.74 115.31 117.48 2crg h LEU 18 Ca 0.36 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.42 2crg h LEU 18 Cb 0.42 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2crg h LEU 18 CO -0.30 -0.06 -0.37 0.15 0.09 0.00 0.00 178.44 177.95 2crg h PHE 19 N 0.16 -0.97 -0.91 1.13 3.57 -0.76 -0.39 116.94 118.77 2crg h PHE 19 Ca 0.29 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.86 2crg h PHE 19 Cb 0.46 0.33 -0.11 0.00 2.79 0.00 0.00 35.95 39.41 2crg h PHE 19 CO -0.31 -0.58 -0.56 0.93 -2.23 0.00 0.00 178.31 175.56 2crg h GLU 20 N -1.00 -0.03 -0.13 1.11 5.08 -1.16 1.24 114.58 119.69 2crg h GLU 20 Ca -0.10 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2crg h GLU 20 Cb 0.77 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2crg h GLU 20 CO 0.14 -0.02 0.11 1.05 -1.00 0.00 0.00 179.01 179.30 2crg h GLU 21 N -0.03 0.00 -0.42 2.33 4.11 -1.32 -0.89 114.58 118.36 2crg h GLU 21 Ca 0.15 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.51 2crg h GLU 21 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2crg h GLU 21 CO -0.87 0.00 -0.02 0.00 0.07 0.00 0.00 179.01 178.19 2crg h ALA 22 N 1.90 1.17 0.08 1.06 0.00 0.33 -1.37 119.26 122.44 2crg h ALA 22 Ca 0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2crg h ALA 22 Cb 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2crg h ALA 22 CO -0.00 0.54 -0.04 1.25 0.00 0.00 0.00 179.25 181.00 2crg h LEU 23 N 0.65 -0.09 -1.62 0.00 5.85 -0.00 0.46 115.31 120.56 2crg h LEU 23 Ca 0.13 -0.44 0.04 0.00 0.84 0.00 0.00 57.88 58.45 2crg h LEU 23 Cb 0.44 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 2crg h LEU 23 CO 0.02 0.43 0.32 1.05 -0.34 0.00 0.00 178.44 179.92 2crg h GLU 24 N -0.65 0.47 0.00 1.25 4.11 -1.47 0.24 114.58 118.53 2crg h GLU 24 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2crg h GLU 24 Cb 0.53 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2crg h GLU 24 CO 0.02 0.31 -0.09 -0.22 0.07 0.00 0.00 179.01 179.11 2crg h LYS 25 N 0.49 0.00 0.00 1.06 3.64 -1.23 -3.44 116.57 117.09 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 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2crg h LYS 25 CO -0.05 0.00 -0.06 1.88 -2.27 0.00 0.00 179.45 178.94 2crg h TYR 26 N -0.65 0.00 0.00 1.91 0.05 -0.10 -3.51 116.97 114.67 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 0.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.83 2crg h TYR 26 CO -0.04 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.48 2crg n GLY 27 N 1.84 0.22 2.05 3.88 0.00 0.84 -4.76 105.19 109.25 2crg n GLY 27 Ca -0.01 -1.99 -0.08 0.00 0.00 0.00 0.00 46.02 43.94 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 -3.32 1.61 4.76 -1.26 -4.47 118.16 116.96 2crg n LYS 28 Ca 0.00 -0.69 -0.26 0.00 -2.87 0.00 0.00 58.31 54.49 2crg n LYS 28 Cb 0.00 -1.80 -0.07 0.00 -1.84 0.00 0.00 35.03 31.32 2crg n LYS 28 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2crg n ASP 29 N 2.48 2.62 -0.38 4.39 9.92 -1.26 -4.92 116.55 129.39 2crg n ASP 29 Ca 0.30 -3.21 0.33 0.00 -0.53 0.00 0.00 54.79 51.68 2crg n ASP 29 Cb 0.69 -0.66 0.66 0.00 -0.64 0.00 0.00 41.12 41.17 2crg n ASP 29 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2crg h PHE 30 N 4.04 0.32 0.92 1.24 0.04 -1.93 -0.83 116.94 120.74 2crg h PHE 30 Ca 0.15 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.89 2crg h PHE 30 Cb 0.73 -0.09 0.01 0.00 2.20 0.00 0.00 35.95 38.80 2crg h PHE 30 CO 0.61 -0.02 -0.44 -0.97 -0.60 0.00 0.00 178.31 176.89 2crg h ASN 31 N 0.15 -1.05 -1.00 2.17 -0.73 -1.93 0.25 115.58 113.45 2crg h ASN 31 Ca 0.66 0.04 0.24 0.00 1.87 0.00 0.00 56.30 59.10 2crg h ASN 31 Cb 2.20 0.27 -0.12 0.00 0.27 0.00 0.00 38.32 40.94 2crg h ASN 31 CO -0.18 -0.73 0.58 0.44 -0.37 0.00 0.00 177.43 177.17 2crg h ASP 32 N -1.28 0.67 0.14 1.15 5.19 -1.59 0.11 116.42 120.81 2crg h ASP 32 Ca -0.13 0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 2crg h ASP 32 Cb 0.95 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.49 2crg h ASP 32 CO 0.21 0.12 -0.07 0.40 -3.12 0.00 0.00 179.24 176.78 2crg h ILE 33 N 0.59 0.00 -0.18 0.35 2.04 -1.25 -3.14 117.51 115.92 2crg h ILE 33 Ca 0.63 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 66.39 2crg h ILE 33 Cb 1.17 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2crg h ILE 33 CO -0.47 0.00 0.68 -0.09 0.00 0.00 0.00 178.15 178.27 2crg h ARG 34 N -0.34 0.00 0.37 2.37 2.43 -0.23 0.16 114.38 119.15 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 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2crg h ARG 34 CO 0.03 0.00 -0.18 0.37 -1.51 0.00 0.00 179.97 178.68 2crg h GLN 35 N 0.00 -0.48 0.00 0.20 4.15 -0.75 -2.89 115.11 115.35 2crg h GLN 35 Ca 0.09 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.54 2crg h GLN 35 Cb 1.44 0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.24 2crg h GLN 35 CO -0.00 -0.32 -0.82 -0.25 -1.93 0.00 0.00 178.83 175.51 2crg n ASP 36 N -3.93 1.79 -0.25 -0.69 9.92 -0.50 -4.19 116.55 118.69 2crg n ASP 36 Ca -0.06 0.29 -0.07 0.00 -0.53 0.00 0.00 54.79 54.43 2crg n ASP 36 Cb 0.20 -0.67 -0.06 0.00 -0.64 0.00 0.00 41.12 39.95 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 -4.28 -0.27 -3.61 1.24 3.01 0.46 -3.76 117.46 110.25 2crg n PHE 37 Ca -0.11 0.75 -0.29 0.00 1.01 0.00 0.00 57.45 58.81 2crg n PHE 37 Cb 0.42 -0.52 -0.13 0.00 -0.01 0.00 0.00 39.48 39.24 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 -8.89 1.74 0.06 4.37 1.43 -0.80 -4.99 118.68 111.59 2crg s LEU 38 Ca -0.07 -2.11 -0.19 0.00 -1.03 0.00 0.00 54.13 50.73 2crg s LEU 38 Cb 0.07 -0.69 -0.13 0.00 0.03 0.00 0.00 46.19 45.47 2crg s LEU 38 CO 0.37 -0.33 1.37 1.55 0.23 0.00 0.00 176.35 179.54 2crg h PRO 39 N 7.30 0.45 -0.16 1.29 0.13 -1.60 -3.28 132.00 136.13 2crg h PRO 39 Ca -0.03 -0.23 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 2crg h PRO 39 Cb 0.97 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 2crg h PRO 39 CO 0.40 0.80 0.07 0.11 -0.23 0.00 0.00 178.00 179.15 2crg h TRP 40 N 0.11 0.24 -3.54 1.56 0.09 -1.93 -3.44 115.95 109.05 2crg h TRP 40 Ca 0.03 -0.02 -0.55 0.00 0.09 0.00 0.00 58.89 58.45 2crg h TRP 40 Cb 0.71 -0.07 0.20 0.00 0.08 0.00 0.00 29.16 30.08 2crg h TRP 40 CO 0.08 0.30 -0.26 1.63 0.09 0.00 0.00 178.44 180.28 2crg n LYS 41 N -4.87 0.08 -2.73 0.12 4.76 -1.24 -5.00 118.16 109.27 2crg n LYS 41 Ca -0.04 0.08 -0.22 0.00 -2.87 0.00 0.00 58.31 55.26 2crg n LYS 41 Cb 0.11 -2.00 0.03 0.00 -1.84 0.00 0.00 35.03 31.33 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 -1.82 5.46 0.02 4.39 0.01 -1.26 -4.95 113.70 115.56 2crg s SER 42 Ca 0.65 0.14 -0.26 0.00 1.31 0.00 0.00 55.95 57.78 2crg s SER 42 Cb -0.29 -1.14 -0.15 0.00 0.21 0.00 0.00 66.02 64.65 2crg s SER 42 CO 0.59 -1.00 1.19 0.25 0.41 0.00 0.00 173.24 174.68 2crg h LEU 43 N 0.15 -0.80 -0.07 2.44 7.12 -1.94 -2.96 115.31 119.24 2crg h LEU 43 Ca -0.44 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 57.59 2crg h LEU 43 Cb 1.28 0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 41.62 2crg h LEU 43 CO 0.55 -0.49 -0.00 0.74 -0.13 0.00 0.00 178.44 179.11 2crg h THR 44 N -1.13 1.26 -0.99 1.05 2.02 -1.97 -3.07 112.91 110.08 2crg h THR 44 Ca -0.10 -0.81 0.36 0.00 0.77 0.00 0.00 66.41 66.63 2crg h THR 44 Cb 0.73 1.66 -0.18 0.00 -1.74 0.00 0.00 68.15 68.61 2crg h THR 44 CO 0.16 0.22 0.32 -1.20 0.37 0.00 0.00 175.52 175.40 2crg n SER 45 N -4.84 0.16 -0.03 4.18 7.64 -1.25 0.21 113.62 119.69 2crg n SER 45 Ca -0.07 1.67 -0.07 0.00 1.01 0.00 0.00 58.87 61.41 2crg n SER 45 Cb 0.20 -0.73 0.12 0.00 -1.01 0.00 0.00 64.21 62.79 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 1.28 0.23 0.44 2.04 -1.42 -3.22 117.51 116.86 2crg h ILE 46 Ca 0.74 -1.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 2crg h ILE 46 Cb 1.83 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 2crg h ILE 46 CO -0.83 0.46 -0.11 0.40 0.00 0.00 0.00 178.15 178.07 2crg h ILE 47 N 0.53 0.84 -0.72 -0.67 2.04 0.26 -3.18 117.51 116.60 2crg h ILE 47 Ca 0.06 -0.38 0.10 0.00 1.00 0.00 0.00 64.86 65.65 2crg h ILE 47 Cb 0.80 1.06 -0.11 0.00 -0.74 0.00 0.00 36.82 37.83 2crg h ILE 47 CO 0.07 0.08 -0.31 -0.62 0.00 0.00 0.00 178.15 177.37 2crg n GLU 48 N -5.14 -0.20 -0.17 2.37 1.02 -0.42 0.11 120.64 118.21 2crg n GLU 48 Ca -0.09 1.11 -0.03 0.00 -0.02 0.00 0.00 57.16 58.12 2crg n GLU 48 Cb 0.20 -1.64 0.03 0.00 -0.02 0.00 0.00 31.44 30.01 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 -0.51 -0.72 -0.32 3.20 -1.65 -1.27 116.97 115.69 2crg h TYR 49 Ca 0.23 0.06 0.14 0.00 3.14 0.00 0.00 58.73 62.29 2crg h TYR 49 Cb 0.41 0.31 -0.14 0.00 1.54 0.00 0.00 36.73 38.85 2crg h TYR 49 CO -0.66 -0.30 -0.19 0.98 -1.64 0.00 0.00 178.16 176.36 2crg n TYR 50 N -5.41 0.24 0.13 -3.82 9.36 0.29 1.00 117.16 118.94 2crg n TYR 50 Ca 0.05 0.88 -0.13 0.00 3.32 0.00 0.00 57.90 62.02 2crg n TYR 50 Cb 0.32 -0.91 -0.06 0.00 -0.63 0.00 0.00 39.34 38.06 2crg n TYR 50 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2crg h TYR 51 N 0.00 -0.48 -0.33 2.98 0.05 -1.24 0.42 116.97 118.37 2crg h TYR 51 Ca 0.34 0.00 0.09 0.00 0.05 0.00 0.00 58.73 59.22 2crg h TYR 51 Cb 0.52 0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.44 2crg h TYR 51 CO -0.56 -0.27 0.24 1.98 -1.05 0.00 0.00 178.16 178.49 2crg h MET 52 N -0.39 0.01 -0.04 4.88 4.05 0.65 0.25 114.93 124.35 2crg h MET 52 Ca 0.01 -0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.27 2crg h MET 52 Cb 0.38 -0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.18 2crg h MET 52 CO -0.06 0.01 -0.60 2.35 0.23 0.00 0.00 176.91 178.83 2crg h TRP 53 N 0.01 0.68 0.00 1.39 7.01 0.07 -3.13 115.95 121.97 2crg h TRP 53 Ca 0.16 -0.34 -0.08 0.00 2.11 0.00 0.00 58.89 60.74 2crg h TRP 53 Cb 0.61 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 2crg h TRP 53 CO -0.00 1.15 -0.37 1.57 -2.79 0.00 0.00 178.44 178.00 2crg h LYS 54 N 0.01 0.00 -0.55 2.65 5.09 0.02 -2.72 116.57 121.07 2crg h LYS 54 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.67 2crg h LYS 54 Cb 1.29 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.62 2crg h LYS 54 CO 0.12 0.37 0.00 0.25 -2.09 0.00 0.00 179.45 178.10 2crg n THR 55 N -3.52 0.78 -0.60 0.07 -2.24 0.77 -4.92 114.28 104.63 2crg n THR 55 Ca -0.00 -0.51 -0.19 0.00 -2.27 0.00 0.00 64.05 61.08 2crg n THR 55 Cb 0.51 -0.08 0.17 0.00 -2.10 0.00 0.00 70.33 68.83 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 0.36 0.00 -2.52 4.28 -2.24 -1.03 -4.30 114.28 108.83 2crg n THR 56 Ca 0.11 -0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 2crg n THR 56 Cb 0.45 -0.96 0.01 0.00 -2.10 0.00 0.00 70.33 67.73 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 -4.39 -4.25 -4.35 3.42 2.03 -1.26 -4.97 116.55 102.78 2crg n ASP 57 Ca 0.09 -0.11 -0.45 0.00 0.52 0.00 0.00 54.79 54.84 2crg n ASP 57 Cb 0.37 -3.26 -0.05 0.00 -0.72 0.00 0.00 41.12 37.46 2crg n ASP 57 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2crg s ARG 58 N -4.99 3.02 -1.05 -0.67 1.81 -1.26 -4.62 118.95 111.19 2crg s ARG 58 Ca 0.11 -1.45 -0.07 0.00 -1.72 0.00 0.00 55.73 52.60 2crg s ARG 58 Cb -0.05 -4.27 0.01 0.00 -0.45 0.00 0.00 34.95 30.19 2crg s ARG 58 CO 0.13 -1.44 0.13 0.98 -0.68 0.00 0.00 175.30 174.42 2crg n TYR 59 N 5.89 -0.93 0.06 -0.53 4.19 -1.26 -4.79 117.16 119.79 2crg n TYR 59 Ca -0.11 0.33 -0.10 0.00 3.31 0.00 0.00 57.90 61.33 2crg n TYR 59 Cb 0.42 -2.01 -0.13 0.00 0.49 0.00 0.00 39.34 38.11 2crg n TYR 59 CO 0.00 0.00 0.00 -0.24 0.91 0.00 0.00 176.86 177.53 2crg h VAL 60 N -1.02 1.54 -2.72 2.97 3.04 -1.99 -3.46 116.25 114.60 2crg h VAL 60 Ca -0.49 -3.23 -0.46 0.00 -1.01 0.00 0.00 66.70 61.51 2crg h VAL 60 Cb 1.01 2.82 0.02 0.00 -2.01 0.00 0.00 31.29 33.13 2crg h VAL 60 CO 0.48 0.90 -0.15 -1.10 -1.01 0.00 0.00 177.57 176.69 2crg s GLN 61 N -2.68 3.26 0.46 4.17 -0.21 -1.26 -5.10 119.66 118.30 2crg s GLN 61 Ca -0.01 -0.45 -0.07 0.00 0.02 0.00 0.00 55.36 54.85 2crg s GLN 61 Cb 0.09 -2.62 -0.05 0.00 1.00 0.00 0.00 33.01 31.43 2crg s GLN 61 CO 0.84 -0.06 0.79 -1.14 -2.12 0.00 0.00 175.29 173.59 2crg s GLN 62 N -4.43 3.63 0.69 2.91 2.00 -1.26 -5.06 119.66 118.14 2crg s GLN 62 Ca 0.44 0.32 -0.15 0.00 -2.00 0.00 0.00 55.36 53.97 2crg s GLN 62 Cb -0.10 -2.37 0.02 0.00 0.80 0.00 0.00 33.01 31.36 2crg s GLN 62 CO 0.37 -0.16 1.14 0.21 -0.50 0.00 0.00 175.29 176.35 2crg s LYS 63 N -4.44 2.52 -0.03 1.67 2.20 -1.26 -5.06 119.74 115.33 2crg s LYS 63 Ca 0.49 1.51 -0.19 0.00 -0.36 0.00 0.00 55.97 57.42 2crg s LYS 63 Cb -0.10 -1.90 0.04 0.00 -1.51 0.00 0.00 37.83 34.35 2crg s LYS 63 CO 0.41 -1.49 0.40 -0.98 -0.36 0.00 0.00 175.35 173.33 2crg s ARG 64 N -4.07 0.75 0.55 4.03 1.70 -1.26 -5.16 118.95 115.49 2crg s ARG 64 Ca 0.69 -0.04 -0.14 0.00 -0.47 0.00 0.00 55.73 55.76 2crg s ARG 64 Cb -0.23 0.34 -0.06 0.00 -0.57 0.00 0.00 34.95 34.42 2crg s ARG 64 CO 0.43 -0.21 1.00 -1.54 -1.08 0.00 0.00 175.30 173.91 2crg s SER 65 N -1.21 6.47 0.00 -2.89 1.04 -1.26 -5.08 113.70 110.76 2crg s SER 65 Ca -0.12 1.52 0.00 0.00 0.48 0.00 0.00 55.95 57.82 2crg s SER 65 Cb -0.04 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2crg s SER 65 CO 0.05 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.19 2crg n GLY 66 N -2.00 7.18 0.27 7.32 0.00 -1.26 -5.02 105.19 111.67 2crg n GLY 66 Ca 0.06 -1.92 0.17 0.00 0.00 0.00 0.00 46.02 44.33 2crg n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crg h PRO 67 N 0.00 0.00 -6.61 1.61 0.13 -2.07 -3.46 132.00 121.59 2crg h PRO 67 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 2crg h PRO 67 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 2crg h PRO 67 CO 0.00 0.00 -0.84 0.43 -0.23 0.00 0.00 178.00 177.36 2crg n SER 68 N -3.01 -2.62 -4.67 1.44 7.64 -1.26 -4.90 113.62 106.23 2crg n SER 68 Ca 0.01 -0.98 -0.40 0.00 1.01 0.00 0.00 58.87 58.51 2crg n SER 68 Cb 0.29 -3.00 -0.06 0.00 -1.01 0.00 0.00 64.21 60.43 2crg n SER 68 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2crg s SER 69 N -3.62 6.74 0.00 6.43 0.15 -1.26 -5.33 113.70 116.81 2crg s SER 69 Ca 0.51 0.90 0.00 0.00 0.70 0.00 0.00 55.95 58.06 2crg s SER 69 Cb -0.27 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2crg s SER 69 CO 0.90 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.70