#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 2.16 -0.17 1.61 0.01 -1.26 -5.04 113.70 111.02 2crg s SER 2 Ca 0.00 0.77 -0.14 0.00 1.31 0.00 0.00 55.95 57.90 2crg s SER 2 Cb 0.00 -1.16 -0.06 0.00 0.21 0.00 0.00 66.02 65.01 2crg s SER 2 CO 0.00 -3.37 -0.20 -1.54 0.41 0.00 0.00 173.24 168.54 2crg n SER 3 N -4.28 1.87 -3.34 2.44 3.41 -1.26 -5.08 113.62 107.38 2crg n SER 3 Ca 0.10 0.49 -0.14 0.00 -0.26 0.00 0.00 58.87 59.07 2crg n SER 3 Cb 0.59 -0.84 -0.04 0.00 -0.26 0.00 0.00 64.21 63.66 2crg n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2crg s GLY 4 N -4.62 1.38 -0.69 5.00 0.00 -1.26 -5.05 107.32 102.08 2crg s GLY 4 Ca -0.23 -1.45 -0.02 0.00 0.00 0.00 0.00 44.72 43.03 2crg s GLY 4 CO 0.35 -0.97 2.00 1.44 0.00 0.00 0.00 173.10 175.93 2crg n SER 5 N -1.27 7.57 -4.44 1.64 7.64 -1.26 -4.95 113.62 118.55 2crg n SER 5 Ca 0.01 -3.80 -0.33 0.00 1.01 0.00 0.00 58.87 55.76 2crg n SER 5 Cb 0.62 -0.97 -0.14 0.00 -1.01 0.00 0.00 64.21 62.71 2crg n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2crg s SER 6 N -1.75 4.05 0.00 6.43 0.01 -1.26 -4.99 113.70 116.19 2crg s SER 6 Ca 0.62 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.64 2crg s SER 6 Cb 0.49 -1.17 0.00 0.00 0.21 0.00 0.00 66.02 65.56 2crg s SER 6 CO -0.09 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.44 2crg n GLY 7 N 2.79 -0.98 3.59 3.44 0.00 -1.26 -5.10 105.19 107.67 2crg n GLY 7 Ca -0.18 0.69 -0.44 0.00 0.00 0.00 0.00 46.02 46.10 2crg n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2crg n MET 8 N 0.00 1.89 -3.50 1.61 0.00 -1.26 -4.95 117.12 110.91 2crg n MET 8 Ca 0.00 0.52 -0.37 0.00 0.00 0.00 0.00 57.70 57.85 2crg n MET 8 Cb 0.00 -3.16 -0.06 0.00 0.00 0.00 0.00 33.22 30.00 2crg n MET 8 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 2crg s GLU 9 N 6.32 3.90 -0.23 0.03 2.56 -1.26 -5.07 118.70 124.94 2crg s GLU 9 Ca 1.02 0.38 0.00 0.00 0.00 0.00 0.00 54.97 56.37 2crg s GLU 9 Cb -0.39 -3.16 0.06 0.00 2.00 0.00 0.00 34.13 32.65 2crg s GLU 9 CO 0.37 0.65 -0.03 -2.00 -0.56 0.00 0.00 175.26 173.68 2crg s GLU 10 N -1.30 1.46 -0.35 4.30 2.56 -1.26 -5.10 118.70 119.00 2crg s GLU 10 Ca 0.27 -0.94 -0.29 0.00 0.00 0.00 0.00 54.97 54.01 2crg s GLU 10 Cb -0.16 -2.52 0.01 0.00 2.00 0.00 0.00 34.13 33.46 2crg s GLU 10 CO 0.15 -0.62 1.18 -1.58 -0.56 0.00 0.00 175.26 173.82 2crg s TRP 11 N 1.45 2.89 0.43 5.30 0.52 -1.26 -5.00 118.94 123.27 2crg s TRP 11 Ca -0.04 0.96 -0.24 0.00 0.02 0.00 0.00 56.10 56.79 2crg s TRP 11 Cb -0.19 -3.96 -0.08 0.00 -1.15 0.00 0.00 33.47 28.10 2crg s TRP 11 CO -0.07 -1.25 1.21 -1.12 0.02 0.00 0.00 176.95 175.74 2crg s SER 12 N 2.32 6.26 0.24 2.95 0.01 -1.26 -4.70 113.70 119.51 2crg s SER 12 Ca 0.50 2.42 -0.16 0.00 1.31 0.00 0.00 55.95 60.02 2crg s SER 12 Cb -0.13 -2.62 0.27 0.00 0.21 0.00 0.00 66.02 63.76 2crg s SER 12 CO 0.22 -0.86 1.55 0.00 0.41 0.00 0.00 173.24 174.56 2crg h ALA 13 N 2.35 0.22 -0.21 1.44 0.00 -1.99 0.19 119.26 121.26 2crg h ALA 13 Ca -0.49 0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.77 2crg h ALA 13 Cb 1.25 0.98 -0.07 0.00 0.00 0.00 0.00 17.79 19.95 2crg h ALA 13 CO 0.61 -0.59 -0.34 0.77 0.00 0.00 0.00 179.25 179.70 2crg h SER 14 N -0.00 -1.07 0.14 0.00 0.02 -2.00 -0.20 113.55 110.45 2crg h SER 14 Ca 0.36 0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.49 2crg h SER 14 Cb 0.61 0.46 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 2crg h SER 14 CO -1.00 -0.35 -0.19 -0.33 -1.14 0.00 0.00 176.83 173.82 2crg h GLU 15 N -0.36 -0.37 -0.67 3.45 3.07 -1.11 -1.95 114.58 116.63 2crg h GLU 15 Ca 0.12 0.02 0.14 0.00 -0.50 0.00 0.00 59.36 59.15 2crg h GLU 15 Cb 0.55 0.08 -0.12 0.00 -0.84 0.00 0.00 28.75 28.43 2crg h GLU 15 CO -0.42 -0.24 -0.02 0.00 -1.40 0.00 0.00 179.01 176.93 2crg h ALA 16 N 0.42 0.65 -0.70 3.43 0.00 -0.30 0.68 119.26 123.43 2crg h ALA 16 Ca 0.01 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2crg h ALA 16 Cb 0.38 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2crg h ALA 16 CO -0.08 -0.41 0.45 0.00 0.00 0.00 0.00 179.25 179.21 2crg h LEU 18 N 0.89 0.49 0.15 0.00 3.38 -0.14 -2.99 115.31 117.10 2crg h LEU 18 Ca 0.28 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 2crg h LEU 18 Cb -0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2crg h LEU 18 CO -0.09 0.33 -0.18 0.15 0.09 0.00 0.00 178.44 178.74 2crg h PHE 19 N 0.63 -0.50 -0.62 1.13 3.57 -0.82 0.14 116.94 120.47 2crg h PHE 19 Ca 0.26 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.82 2crg h PHE 19 Cb 0.13 0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.99 2crg h PHE 19 CO -0.08 -0.23 -0.37 0.39 -2.23 0.00 0.00 178.31 175.79 2crg n GLU 20 N -3.40 -0.27 -0.07 1.11 1.02 -1.09 0.22 120.64 118.14 2crg n GLU 20 Ca -0.04 1.07 0.06 0.00 -0.02 0.00 0.00 57.16 58.23 2crg n GLU 20 Cb 0.16 -1.57 0.41 0.00 -0.02 0.00 0.00 31.44 30.41 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 0.59 -0.80 3.49 4.11 -1.43 -1.45 114.58 119.08 2crg h GLU 21 Ca 0.10 -0.04 0.11 0.00 0.07 0.00 0.00 59.36 59.61 2crg h GLU 21 Cb 0.25 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 2crg h GLU 21 CO -0.58 0.39 0.52 0.00 0.07 0.00 0.00 179.01 179.41 2crg h ALA 22 N 1.69 1.82 0.00 1.06 0.00 0.55 0.39 119.26 124.77 2crg h ALA 22 Ca 0.22 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.94 2crg h ALA 22 Cb 0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2crg h ALA 22 CO -0.06 -0.00 -0.89 1.25 0.00 0.00 0.00 179.25 179.55 2crg h LEU 23 N 0.68 0.02 -0.11 0.00 5.85 -0.25 0.62 115.31 122.12 2crg h LEU 23 Ca 0.38 -0.02 -0.23 0.00 0.84 0.00 0.00 57.88 58.85 2crg h LEU 23 Cb 0.55 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 2crg h LEU 23 CO -0.15 0.90 -1.01 -0.33 -0.34 0.00 0.00 178.44 177.51 2crg h GLU 24 N 0.01 0.27 0.00 1.25 4.39 -0.81 -2.81 114.58 116.88 2crg h GLU 24 Ca -0.01 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.35 2crg h GLU 24 Cb 1.57 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.33 2crg h GLU 24 CO 0.12 1.08 -0.23 -0.22 -1.16 0.00 0.00 179.01 178.60 2crg h LYS 25 N 0.13 0.00 0.04 2.33 3.64 -0.35 -3.44 116.57 118.92 2crg h LYS 25 Ca -0.08 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2crg h LYS 25 Cb 1.68 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.50 2crg h LYS 25 CO 0.16 0.00 -0.02 1.88 -2.27 0.00 0.00 179.45 179.20 2crg h TYR 26 N -0.62 -0.05 0.00 1.91 0.05 -1.12 -3.51 116.97 113.63 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 0.23 0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.98 2crg h TYR 26 CO -0.10 -0.03 0.00 0.41 -1.05 0.00 0.00 178.16 177.39 2crg n GLY 27 N 1.61 0.22 2.07 3.88 0.00 -0.58 -4.72 105.19 107.68 2crg n GLY 27 Ca -0.01 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 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 1.49 -2.82 1.61 5.02 -1.26 -4.35 118.16 117.85 2crg n LYS 28 Ca 0.00 -0.72 -0.24 0.00 -2.02 0.00 0.00 58.31 55.33 2crg n LYS 28 Cb 0.00 -1.83 -0.02 0.00 -0.02 0.00 0.00 35.03 33.16 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 2.54 3.74 -0.44 4.39 9.92 -1.26 -4.91 116.55 130.53 2crg n ASP 29 Ca 0.31 -3.51 0.35 0.00 -0.53 0.00 0.00 54.79 51.40 2crg n ASP 29 Cb 0.69 -0.54 0.55 0.00 -0.64 0.00 0.00 41.12 41.18 2crg n ASP 29 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2crg n PHE 30 N -0.22 0.24 0.39 1.24 3.72 -1.26 0.35 117.46 121.92 2crg n PHE 30 Ca 0.30 0.25 -0.15 0.00 -0.05 0.00 0.00 57.45 57.80 2crg n PHE 30 Cb 0.54 -0.63 -0.07 0.00 -0.94 0.00 0.00 39.48 38.38 2crg n PHE 30 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 176.76 173.76 2crg h ASN 31 N 0.00 -0.84 -0.99 4.37 7.08 -1.93 0.25 115.58 123.52 2crg h ASN 31 Ca 0.67 0.03 0.26 0.00 -3.08 0.00 0.00 56.30 54.18 2crg h ASN 31 Cb 2.44 0.22 -0.06 0.00 -2.08 0.00 0.00 38.32 38.83 2crg h ASN 31 CO -0.17 -0.60 0.67 0.44 -2.08 0.00 0.00 177.43 175.70 2crg h ASP 32 N -0.98 0.26 0.00 6.14 3.32 -0.53 0.55 116.42 125.17 2crg h ASP 32 Ca -0.10 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2crg h ASP 32 Cb 0.76 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2crg h ASP 32 CO 0.16 0.07 0.00 -0.38 -1.72 0.00 0.00 179.24 177.37 2crg n ILE 33 N -4.44 0.00 0.08 0.35 5.41 -1.02 -3.14 119.36 116.60 2crg n ILE 33 Ca 0.22 0.63 0.17 0.00 1.00 0.00 0.00 62.75 64.77 2crg n ILE 33 Cb 0.91 -1.42 0.44 0.00 -0.71 0.00 0.00 39.64 38.86 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 0.39 0.38 2.43 -0.35 0.21 114.38 117.43 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 -0.19 0.37 -1.51 0.00 0.00 179.97 178.64 2crg h GLN 35 N 0.00 -0.50 0.00 0.20 5.75 -0.95 -2.80 115.11 116.81 2crg h GLN 35 Ca 0.22 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.75 2crg h GLN 35 Cb 1.94 0.11 0.00 0.00 1.07 0.00 0.00 27.48 30.61 2crg h GLN 35 CO -0.00 -0.33 -0.84 -0.25 -2.65 0.00 0.00 178.83 174.75 2crg n ASP 36 N -3.96 1.77 -0.26 -0.69 9.92 -0.26 -4.15 116.55 118.92 2crg n ASP 36 Ca -0.06 0.29 -0.07 0.00 -0.53 0.00 0.00 54.79 54.42 2crg n ASP 36 Cb 0.20 -0.68 -0.06 0.00 -0.64 0.00 0.00 41.12 39.94 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 -4.27 -0.27 -3.61 1.24 3.01 0.58 -3.77 117.46 110.37 2crg n PHE 37 Ca -0.12 0.77 -0.29 0.00 1.01 0.00 0.00 57.45 58.82 2crg n PHE 37 Cb 0.44 -0.53 -0.13 0.00 -0.01 0.00 0.00 39.48 39.25 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 -8.96 1.79 0.38 4.37 1.43 -0.86 -4.98 118.68 111.85 2crg s LEU 38 Ca -0.07 -2.12 0.17 0.00 -1.03 0.00 0.00 54.13 51.07 2crg s LEU 38 Cb 0.07 -0.71 0.75 0.00 0.03 0.00 0.00 46.19 46.33 2crg s LEU 38 CO 0.38 -0.33 1.79 1.55 0.23 0.00 0.00 176.35 179.97 2crg h PRO 39 N 7.30 0.00 0.17 1.29 0.13 -1.58 -3.19 132.00 136.12 2crg h PRO 39 Ca -0.03 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.82 2crg h PRO 39 Cb 0.97 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.12 2crg h PRO 39 CO 0.40 0.37 -1.26 0.11 -0.23 0.00 0.00 178.00 177.39 2crg h TRP 40 N 0.00 0.66 -3.59 1.56 0.09 -1.93 -3.47 115.95 109.28 2crg h TRP 40 Ca -0.00 -0.48 -0.55 0.00 0.09 0.00 0.00 58.89 57.94 2crg h TRP 40 Cb 0.77 -0.03 0.18 0.00 0.08 0.00 0.00 29.16 30.17 2crg h TRP 40 CO 0.00 1.49 -0.11 1.63 0.09 0.00 0.00 178.44 181.54 2crg n LYS 41 N -3.90 0.33 -3.49 0.12 4.76 -1.20 -4.98 118.16 109.79 2crg n LYS 41 Ca -0.19 0.17 -0.32 0.00 -2.87 0.00 0.00 58.31 55.09 2crg n LYS 41 Cb 0.95 -2.07 -0.05 0.00 -1.84 0.00 0.00 35.03 32.02 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 -1.66 6.61 0.09 4.39 0.01 -1.26 -4.93 113.70 116.95 2crg s SER 42 Ca 0.69 0.84 -0.26 0.00 1.31 0.00 0.00 55.95 58.53 2crg s SER 42 Cb -0.33 -2.19 -0.10 0.00 0.21 0.00 0.00 66.02 63.60 2crg s SER 42 CO 0.54 -0.00 1.42 0.25 0.41 0.00 0.00 173.24 175.86 2crg h LEU 43 N 2.82 -1.29 0.37 2.44 7.12 -1.93 -1.23 115.31 123.61 2crg h LEU 43 Ca -0.47 0.15 -0.02 0.00 0.13 0.00 0.00 57.88 57.67 2crg h LEU 43 Cb 1.17 0.49 0.00 0.00 -0.53 0.00 0.00 40.66 41.80 2crg h LEU 43 CO 0.69 -0.39 -0.18 0.74 -0.13 0.00 0.00 178.44 179.18 2crg h THR 44 N -0.49 0.64 -0.88 1.05 2.02 -1.97 -3.08 112.91 110.20 2crg h THR 44 Ca 0.01 -0.19 0.14 0.00 0.77 0.00 0.00 66.41 67.14 2crg h THR 44 Cb 0.54 0.74 -0.14 0.00 -1.74 0.00 0.00 68.15 67.55 2crg h THR 44 CO -0.30 0.04 -0.34 -0.24 0.37 0.00 0.00 175.52 175.05 2crg n SER 45 N -5.26 -0.57 -0.18 4.18 2.88 -1.13 0.23 113.62 113.77 2crg n SER 45 Ca -0.11 1.54 0.11 0.00 -1.33 0.00 0.00 58.87 59.08 2crg n SER 45 Cb 0.24 -0.35 0.42 0.00 -0.75 0.00 0.00 64.21 63.77 2crg n SER 45 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2crg h ILE 46 N 0.00 0.90 0.24 2.46 2.04 -1.16 -2.41 117.51 119.59 2crg h ILE 46 Ca 0.31 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 2crg h ILE 46 Cb 0.53 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2crg h ILE 46 CO -0.88 0.11 -0.12 0.40 0.00 0.00 0.00 178.15 177.67 2crg h ILE 47 N 0.60 0.82 -0.76 -0.67 2.04 0.29 -3.15 117.51 116.68 2crg h ILE 47 Ca 0.35 -0.47 0.15 0.00 1.00 0.00 0.00 64.86 65.90 2crg h ILE 47 Cb 0.56 1.09 -0.14 0.00 -0.74 0.00 0.00 36.82 37.58 2crg h ILE 47 CO -0.13 0.10 -0.19 -0.62 0.00 0.00 0.00 178.15 177.32 2crg n GLU 48 N -5.13 -0.07 -0.21 2.37 1.02 -0.56 0.19 120.64 118.26 2crg n GLU 48 Ca -0.09 1.18 0.01 0.00 -0.02 0.00 0.00 57.16 58.24 2crg n GLU 48 Cb 0.22 -1.77 0.12 0.00 -0.02 0.00 0.00 31.44 29.99 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 0.39 -0.71 -0.32 5.03 -1.57 -2.51 116.97 117.28 2crg h TYR 49 Ca 0.37 0.03 0.09 0.00 2.58 0.00 0.00 58.73 61.80 2crg h TYR 49 Cb 0.56 -0.08 -0.11 0.00 1.55 0.00 0.00 36.73 38.65 2crg h TYR 49 CO -0.58 0.08 -0.49 -0.92 -1.32 0.00 0.00 178.16 174.93 2crg h TYR 50 N 0.40 -1.50 -0.62 -3.82 3.20 0.21 0.14 116.97 114.98 2crg h TYR 50 Ca 0.32 0.10 0.12 0.00 3.14 0.00 0.00 58.73 62.41 2crg h TYR 50 Cb 0.42 0.75 -0.12 0.00 1.54 0.00 0.00 36.73 39.32 2crg h TYR 50 CO -0.18 -0.42 -0.24 1.88 -1.64 0.00 0.00 178.16 177.56 2crg h TYR 51 N -0.17 -0.60 0.00 -3.82 0.05 -1.41 0.84 116.97 111.86 2crg h TYR 51 Ca 0.17 0.06 -0.02 0.00 0.05 0.00 0.00 58.73 59.00 2crg h TYR 51 Cb 0.53 0.36 -0.00 0.00 1.01 0.00 0.00 36.73 38.63 2crg h TYR 51 CO -0.82 -0.33 -0.08 1.98 -1.05 0.00 0.00 178.16 177.86 2crg h MET 52 N -0.08 0.00 0.21 4.88 4.05 -0.92 0.30 114.93 123.36 2crg h MET 52 Ca 0.28 0.00 -0.32 0.00 -0.28 0.00 0.00 59.70 59.38 2crg h MET 52 Cb 0.52 0.00 0.03 0.00 -0.80 0.00 0.00 31.60 31.35 2crg h MET 52 CO -0.67 0.08 -1.40 2.35 0.23 0.00 0.00 176.91 177.50 2crg h TRP 53 N 0.00 0.90 0.00 1.39 7.01 0.30 -3.29 115.95 122.26 2crg h TRP 53 Ca -0.00 -0.64 -0.06 0.00 2.11 0.00 0.00 58.89 60.30 2crg h TRP 53 Cb 0.22 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.23 2crg h TRP 53 CO 0.00 1.50 -0.39 1.57 -2.79 0.00 0.00 178.44 178.32 2crg h LYS 54 N 0.16 0.00 -0.03 2.65 5.09 0.20 -3.16 116.57 121.48 2crg h LYS 54 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.52 2crg h LYS 54 Cb 2.09 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.42 2crg h LYS 54 CO 0.26 0.26 0.00 0.25 -2.09 0.00 0.00 179.45 178.13 2crg n THR 55 N -3.12 0.03 -2.58 0.07 -2.24 0.10 -4.86 114.28 101.68 2crg n THR 55 Ca 0.02 -0.04 -0.36 0.00 -2.27 0.00 0.00 64.05 61.40 2crg n THR 55 Cb 0.65 -0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 2crg n THR 55 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2crg s THR 56 N -1.97 3.82 0.21 4.28 -4.23 -1.20 -4.93 115.64 111.62 2crg s THR 56 Ca 0.18 1.34 -0.14 0.00 -1.18 0.00 0.00 61.69 61.89 2crg s THR 56 Cb 0.08 -3.66 0.25 0.00 1.34 0.00 0.00 72.50 70.51 2crg s THR 56 CO 0.14 -0.04 1.37 0.47 -0.54 0.00 0.00 174.62 176.01 2crg n ASP 57 N -0.20 -0.53 -4.38 3.99 9.92 -1.26 -4.49 116.55 119.60 2crg n ASP 57 Ca 0.06 1.54 -0.36 0.00 -0.53 0.00 0.00 54.79 55.49 2crg n ASP 57 Cb 0.50 -0.37 0.07 0.00 -0.64 0.00 0.00 41.12 40.68 2crg n ASP 57 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2crg n ARG 58 N -5.32 0.16 -2.35 -1.24 3.00 -1.26 -3.87 116.66 105.77 2crg n ARG 58 Ca 0.10 0.09 -0.06 0.00 -0.00 0.00 0.00 57.85 57.98 2crg n ARG 58 Cb 0.37 -1.65 0.03 0.00 0.00 0.00 0.00 32.46 31.21 2crg n ARG 58 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 2crg n TYR 59 N -2.46 -0.88 -3.88 -0.14 4.19 -1.26 -4.94 117.16 107.79 2crg n TYR 59 Ca 0.08 0.34 -0.11 0.00 3.31 0.00 0.00 57.90 61.52 2crg n TYR 59 Cb 0.51 -3.14 -0.12 0.00 0.49 0.00 0.00 39.34 37.08 2crg n TYR 59 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 2crg s VAL 60 N -3.14 0.05 0.17 2.97 0.11 -1.25 -5.06 120.40 114.25 2crg s VAL 60 Ca 0.09 -0.42 -0.05 0.00 -2.93 0.00 0.00 61.98 58.67 2crg s VAL 60 Cb -0.01 -0.26 -0.06 0.00 -1.53 0.00 0.00 36.38 34.52 2crg s VAL 60 CO 0.28 -0.23 0.41 -1.10 -3.33 0.00 0.00 175.10 171.13 2crg s GLN 61 N -0.73 3.63 1.23 1.54 -0.21 -1.26 -5.10 119.66 118.76 2crg s GLN 61 Ca -0.08 -0.06 -0.20 0.00 0.02 0.00 0.00 55.36 55.03 2crg s GLN 61 Cb -0.05 -2.81 0.30 0.00 1.00 0.00 0.00 33.01 31.46 2crg s GLN 61 CO 0.00 0.42 1.12 1.14 -2.12 0.00 0.00 175.29 175.85 2crg s GLN 62 N -2.82 -1.48 -0.83 2.91 1.03 -1.26 -4.40 119.66 112.83 2crg s GLN 62 Ca 0.42 -0.18 -0.03 0.00 0.04 0.00 0.00 55.36 55.60 2crg s GLN 62 Cb -0.12 -1.58 0.00 0.00 0.03 0.00 0.00 33.01 31.35 2crg s GLN 62 CO 0.25 -3.86 0.71 1.17 -2.54 0.00 0.00 175.29 171.02 2crg n LYS 63 N -4.84 -4.74 -0.06 9.60 3.00 -1.26 -4.96 118.16 114.89 2crg n LYS 63 Ca 0.15 0.54 -0.13 0.00 -0.00 0.00 0.00 58.31 58.86 2crg n LYS 63 Cb 0.60 -4.67 -0.04 0.00 0.00 0.00 0.00 35.03 30.91 2crg n LYS 63 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2crg n ARG 64 N -3.22 0.32 -3.95 1.64 0.63 -1.26 -4.93 116.66 105.90 2crg n ARG 64 Ca -0.08 0.14 -0.31 0.00 -0.92 0.00 0.00 57.85 56.68 2crg n ARG 64 Cb 0.57 -1.05 -0.15 0.00 0.45 0.00 0.00 32.46 32.28 2crg n ARG 64 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2crg s SER 65 N -6.28 4.50 1.08 6.15 0.01 -1.26 -5.11 113.70 112.79 2crg s SER 65 Ca -0.20 -2.30 -0.17 0.00 1.31 0.00 0.00 55.95 54.59 2crg s SER 65 Cb 0.07 -1.49 0.23 0.00 0.21 0.00 0.00 66.02 65.04 2crg s SER 65 CO 0.27 -0.35 1.17 -0.83 0.41 0.00 0.00 173.24 173.91 2crg s GLY 66 N 0.71 1.63 -0.10 3.44 0.00 -1.26 -4.96 107.32 106.78 2crg s GLY 66 Ca 0.13 -0.91 -0.29 0.00 0.00 0.00 0.00 44.72 43.64 2crg s GLY 66 CO -0.08 -0.13 1.53 2.56 0.00 0.00 0.00 173.10 176.98 2crg s PRO 67 N -5.49 4.17 -0.14 2.90 0.04 -1.26 -4.93 135.00 130.30 2crg s PRO 67 Ca 0.70 2.00 -0.10 0.00 0.04 0.00 0.00 61.00 63.64 2crg s PRO 67 Cb -0.09 -3.92 -0.06 0.00 0.04 0.00 0.00 34.50 30.46 2crg s PRO 67 CO 0.55 -0.83 -0.04 0.77 0.04 0.00 0.00 177.00 177.49 2crg h SER 68 N 9.20 0.00 -1.72 6.66 0.02 -2.06 -3.48 113.55 122.17 2crg h SER 68 Ca -0.35 -0.12 -0.58 0.00 -0.84 0.00 0.00 61.79 59.90 2crg h SER 68 Cb 1.15 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.60 2crg h SER 68 CO 0.96 0.82 -0.55 -0.94 -1.14 0.00 0.00 176.83 175.99 2crg s SER 69 N -5.89 4.30 0.00 3.07 1.04 -1.26 -5.35 113.70 109.61 2crg s SER 69 Ca -0.14 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.22 2crg s SER 69 Cb 0.02 -0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.64 2crg s SER 69 CO 0.25 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.66