#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 6.69 -0.55 1.61 0.15 -1.26 -5.05 113.70 115.28 2crg s SER 2 Ca 0.00 0.89 -0.15 0.00 0.70 0.00 0.00 55.95 57.38 2crg s SER 2 Cb 0.00 -2.21 0.13 0.00 -1.71 0.00 0.00 66.02 62.23 2crg s SER 2 CO 0.00 0.11 0.50 -0.94 1.20 0.00 0.00 173.24 174.11 2crg s SER 3 N -1.88 6.18 0.00 5.45 1.04 -1.26 -5.05 113.70 118.18 2crg s SER 3 Ca 0.37 -1.86 0.00 0.00 0.48 0.00 0.00 55.95 54.94 2crg s SER 3 Cb -0.14 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.79 2crg s SER 3 CO 0.19 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.19 2crg n GLY 4 N 5.14 -2.79 0.62 7.32 0.00 -1.26 -5.04 105.19 109.18 2crg n GLY 4 Ca -0.12 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2crg n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2crg n SER 5 N 0.00 1.17 -3.67 1.61 7.64 -1.26 -5.09 113.62 114.01 2crg n SER 5 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 2crg n SER 5 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 2crg n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2crg s SER 6 N -4.11 -0.69 0.53 6.43 1.04 -1.26 -5.14 113.70 110.50 2crg s SER 6 Ca 0.00 1.15 0.00 0.00 0.48 0.00 0.00 55.95 57.58 2crg s SER 6 Cb 0.00 1.04 0.00 0.00 0.10 0.00 0.00 66.02 67.16 2crg s SER 6 CO 0.00 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.62 2crg n GLY 7 N 4.19 -2.83 3.16 7.32 0.00 -1.26 -4.69 105.19 111.08 2crg n GLY 7 Ca -0.21 -1.08 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 2crg n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2crg s MET 8 N -3.52 2.63 -0.12 1.61 -2.45 -1.26 -4.94 119.30 111.26 2crg s MET 8 Ca 0.00 -2.25 -0.01 0.00 -1.25 0.00 0.00 55.69 52.18 2crg s MET 8 Cb 0.00 -3.87 0.03 0.00 1.25 0.00 0.00 34.83 32.25 2crg s MET 8 CO 0.00 -1.18 -0.02 -1.21 1.05 0.00 0.00 175.02 173.66 2crg s GLU 9 N 0.47 0.93 -0.23 4.11 8.01 -1.26 -5.12 118.70 125.60 2crg s GLU 9 Ca 0.13 -0.15 -0.03 0.00 0.01 0.00 0.00 54.97 54.93 2crg s GLU 9 Cb -0.20 -1.45 0.01 0.00 -4.31 0.00 0.00 34.13 28.17 2crg s GLU 9 CO -0.04 -0.37 -0.05 -2.00 0.01 0.00 0.00 175.26 172.81 2crg s GLU 10 N 1.85 3.11 -0.24 1.61 2.56 -1.26 -5.09 118.70 121.24 2crg s GLU 10 Ca 0.03 -0.80 -0.04 0.00 0.00 0.00 0.00 54.97 54.17 2crg s GLU 10 Cb -0.14 -3.00 0.00 0.00 2.00 0.00 0.00 34.13 33.00 2crg s GLU 10 CO -0.07 -0.30 -0.03 -1.58 -0.56 0.00 0.00 175.26 172.72 2crg s TRP 11 N 1.41 3.01 0.44 5.30 0.52 -1.26 -5.10 118.94 123.25 2crg s TRP 11 Ca 0.03 -1.12 -0.20 0.00 0.02 0.00 0.00 56.10 54.84 2crg s TRP 11 Cb -0.15 -2.11 -0.10 0.00 -1.15 0.00 0.00 33.47 29.95 2crg s TRP 11 CO -0.04 -0.60 0.94 0.45 0.02 0.00 0.00 176.95 177.72 2crg s SER 12 N 1.44 6.87 0.11 2.95 0.15 -1.26 -4.78 113.70 119.18 2crg s SER 12 Ca 0.04 1.64 -0.24 0.00 0.70 0.00 0.00 55.95 58.09 2crg s SER 12 Cb -0.15 -2.52 -0.07 0.00 -1.71 0.00 0.00 66.02 61.56 2crg s SER 12 CO -0.03 -0.39 1.41 0.00 1.20 0.00 0.00 173.24 175.43 2crg h ALA 13 N 1.74 -0.55 -0.94 5.45 0.00 -1.99 0.27 119.26 123.25 2crg h ALA 13 Ca -0.49 0.04 0.17 0.00 0.00 0.00 0.00 54.91 54.64 2crg h ALA 13 Cb 1.18 1.15 -0.17 0.00 0.00 0.00 0.00 17.79 19.95 2crg h ALA 13 CO 0.61 -0.81 -0.28 0.43 0.00 0.00 0.00 179.25 179.21 2crg n SER 14 N -4.72 -0.42 0.31 0.00 7.64 -1.26 -1.09 113.62 114.08 2crg n SER 14 Ca -0.01 1.62 -0.14 0.00 1.01 0.00 0.00 58.87 61.35 2crg n SER 14 Cb 0.23 -0.45 -0.07 0.00 -1.01 0.00 0.00 64.21 62.91 2crg n SER 14 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2crg h GLU 15 N 0.00 -0.80 -0.86 1.43 5.08 -1.41 -2.79 114.58 115.23 2crg h GLU 15 Ca 0.41 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.95 2crg h GLU 15 Cb 0.64 0.18 -0.14 0.00 0.50 0.00 0.00 28.75 29.94 2crg h GLU 15 CO -0.95 -0.50 -0.35 0.00 -1.00 0.00 0.00 179.01 176.20 2crg n ALA 16 N -2.66 -0.15 0.17 3.43 0.00 0.77 -0.21 120.51 121.85 2crg n ALA 16 Ca -0.11 0.85 -0.14 0.00 0.00 0.00 0.00 53.44 54.03 2crg n ALA 16 Cb 0.35 -0.36 -0.07 0.00 0.00 0.00 0.00 19.45 19.37 2crg n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2crg h LEU 18 N -0.60 -0.34 0.68 0.00 3.38 -0.30 0.62 115.31 118.74 2crg h LEU 18 Ca 0.00 0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2crg h LEU 18 Cb 0.58 0.42 0.01 0.00 0.09 0.00 0.00 40.66 41.75 2crg h LEU 18 CO -0.10 -0.30 -0.34 0.15 0.09 0.00 0.00 178.44 177.94 2crg h PHE 19 N 0.06 -0.87 -0.75 1.13 3.57 -0.82 0.10 116.94 119.36 2crg h PHE 19 Ca 0.58 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 62.18 2crg h PHE 19 Cb 1.19 0.29 -0.13 0.00 2.79 0.00 0.00 35.95 40.09 2crg h PHE 19 CO -0.43 -0.54 -0.37 0.93 -2.23 0.00 0.00 178.31 175.68 2crg h GLU 20 N -0.92 -0.10 -0.69 1.11 5.08 -0.48 0.22 114.58 118.79 2crg h GLU 20 Ca -0.09 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 2crg h GLU 20 Cb 0.71 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 2crg h GLU 20 CO 0.15 -0.07 0.21 1.05 -1.00 0.00 0.00 179.01 179.35 2crg h GLU 21 N -0.10 1.08 0.12 2.33 4.11 -1.27 -3.17 114.58 117.68 2crg h GLU 21 Ca 0.27 -0.24 0.02 0.00 0.07 0.00 0.00 59.36 59.48 2crg h GLU 21 Cb 0.57 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 2crg h GLU 21 CO -0.80 0.94 -0.48 0.00 0.07 0.00 0.00 179.01 178.73 2crg h ALA 22 N 1.09 -0.89 -1.13 1.06 0.00 0.20 0.61 119.26 120.21 2crg h ALA 22 Ca 0.22 -0.10 0.37 0.00 0.00 0.00 0.00 54.91 55.40 2crg h ALA 22 Cb 0.31 0.82 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 2crg h ALA 22 CO -0.01 -1.07 0.69 1.25 0.00 0.00 0.00 179.25 180.12 2crg h LEU 23 N -0.72 0.38 0.00 0.00 5.85 -1.09 1.10 115.31 120.84 2crg h LEU 23 Ca 0.01 0.16 -0.22 0.00 0.84 0.00 0.00 57.88 58.67 2crg h LEU 23 Cb 0.73 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 2crg h LEU 23 CO -0.27 -0.15 -1.18 -0.33 -0.34 0.00 0.00 178.44 176.17 2crg h GLU 24 N 0.21 0.00 0.32 1.25 5.08 -1.20 -2.77 114.58 117.47 2crg h GLU 24 Ca 0.76 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 59.10 2crg h GLU 24 Cb 2.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.31 2crg h GLU 24 CO -0.50 0.77 -0.16 -0.22 -1.00 0.00 0.00 179.01 177.91 2crg h LYS 25 N 0.00 -0.42 0.00 2.33 1.63 0.67 -3.43 116.57 117.35 2crg h LYS 25 Ca -0.10 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 2crg h LYS 25 Cb 1.80 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 33.52 2crg h LYS 25 CO 0.11 -0.28 -0.41 0.66 -3.45 0.00 0.00 179.45 176.08 2crg n TYR 26 N -3.98 0.19 0.00 1.91 4.01 0.47 -5.07 117.16 114.69 2crg n TYR 26 Ca -0.05 0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2crg n TYR 26 Cb 0.17 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 38.84 2crg n TYR 26 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2crg n GLY 27 N 1.56 0.89 0.34 2.72 0.00 -1.05 -4.79 105.19 104.87 2crg n GLY 27 Ca -0.06 -1.96 0.09 0.00 0.00 0.00 0.00 46.02 44.10 2crg n GLY 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2crg h LYS 28 N 2.91 0.00 -5.62 1.61 1.79 -1.94 -3.39 116.57 111.94 2crg h LYS 28 Ca 0.00 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.07 2crg h LYS 28 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2crg h LYS 28 CO 0.00 0.00 1.36 -0.51 -1.08 0.00 0.00 179.45 179.22 2crg s ASP 29 N -3.79 4.45 0.34 0.86 1.01 -1.26 -4.77 116.67 113.51 2crg s ASP 29 Ca -0.02 0.82 0.18 0.00 0.71 0.00 0.00 52.55 54.24 2crg s ASP 29 Cb 0.05 -2.51 0.47 0.00 1.01 0.00 0.00 42.92 41.94 2crg s ASP 29 CO 0.17 -2.98 1.63 -0.26 0.21 0.00 0.00 175.17 173.95 2crg h PHE 30 N 18.01 0.00 0.14 4.23 0.04 -1.94 -3.31 116.94 134.11 2crg h PHE 30 Ca -0.20 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.56 2crg h PHE 30 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.37 2crg h PHE 30 CO 1.00 0.42 -0.07 -0.97 -0.60 0.00 0.00 178.31 178.09 2crg h ASN 31 N 0.00 -0.16 -0.92 2.17 -0.73 -1.93 0.27 115.58 114.29 2crg h ASN 31 Ca -0.00 0.01 0.22 0.00 1.87 0.00 0.00 56.30 58.39 2crg h ASN 31 Cb 1.07 0.04 -0.17 0.00 0.27 0.00 0.00 38.32 39.53 2crg h ASN 31 CO 0.05 -0.11 -0.10 0.47 -0.37 0.00 0.00 177.43 177.38 2crg n ASP 32 N -2.54 -0.21 0.16 1.15 9.92 -1.25 -0.05 116.55 123.73 2crg n ASP 32 Ca -0.02 1.57 -0.06 0.00 -0.53 0.00 0.00 54.79 55.74 2crg n ASP 32 Cb 0.07 -0.53 -0.03 0.00 -0.64 0.00 0.00 41.12 40.00 2crg n ASP 32 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2crg h ILE 33 N 0.00 0.00 -0.15 0.53 2.04 -1.63 -2.73 117.51 115.57 2crg h ILE 33 Ca 0.50 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 66.34 2crg h ILE 33 Cb 0.93 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2crg h ILE 33 CO -0.90 0.00 0.65 -0.09 0.00 0.00 0.00 178.15 177.81 2crg h ARG 34 N -0.49 0.00 0.31 2.37 2.43 0.31 0.18 114.38 119.49 2crg h ARG 34 Ca -0.04 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2crg h ARG 34 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2crg h ARG 34 CO 0.07 0.00 -0.15 0.37 -1.51 0.00 0.00 179.97 178.75 2crg h GLN 35 N 0.00 -0.40 0.00 0.20 5.75 -0.17 -2.80 115.11 117.69 2crg h GLN 35 Ca 0.07 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 2crg h GLN 35 Cb 1.38 0.09 0.00 0.00 1.07 0.00 0.00 27.48 30.02 2crg h GLN 35 CO -0.00 -0.27 -0.75 -0.25 -2.65 0.00 0.00 178.83 174.92 2crg n ASP 36 N -3.92 1.48 -0.21 -0.69 9.92 -0.52 -4.06 116.55 118.55 2crg n ASP 36 Ca -0.05 0.27 -0.05 0.00 -0.53 0.00 0.00 54.79 54.42 2crg n ASP 36 Cb 0.16 -0.69 -0.05 0.00 -0.64 0.00 0.00 41.12 39.90 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 -4.01 -0.22 -3.65 1.24 3.01 0.50 -3.75 117.46 110.59 2crg n PHE 37 Ca -0.10 0.62 -0.29 0.00 1.01 0.00 0.00 57.45 58.68 2crg n PHE 37 Cb 0.39 -0.50 -0.13 0.00 -0.01 0.00 0.00 39.48 39.22 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 -8.34 2.02 0.21 4.37 1.43 -0.81 -4.98 118.68 112.59 2crg s LEU 38 Ca -0.06 -2.16 -0.02 0.00 -1.03 0.00 0.00 54.13 50.85 2crg s LEU 38 Cb 0.05 -0.79 0.18 0.00 0.03 0.00 0.00 46.19 45.66 2crg s LEU 38 CO 0.31 -0.33 1.57 1.55 0.23 0.00 0.00 176.35 179.68 2crg h PRO 39 N 7.28 0.59 -0.08 1.29 0.13 -1.58 -3.24 132.00 136.39 2crg h PRO 39 Ca -0.04 -0.31 -0.14 0.00 -0.87 0.00 0.00 66.00 64.64 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 0.42 0.90 -0.48 0.11 -0.23 0.00 0.00 178.00 178.72 2crg h TRP 40 N 0.48 0.64 -3.37 1.56 0.09 -1.92 -3.46 115.95 109.97 2crg h TRP 40 Ca 0.04 -0.29 -0.57 0.00 0.09 0.00 0.00 58.89 58.15 2crg h TRP 40 Cb 0.94 -0.10 0.16 0.00 0.08 0.00 0.00 29.16 30.24 2crg h TRP 40 CO 0.04 1.07 0.01 1.63 0.09 0.00 0.00 178.44 181.27 2crg n LYS 41 N -4.27 0.85 -1.87 0.12 4.76 -1.22 -4.99 118.16 111.54 2crg n LYS 41 Ca -0.08 0.33 -0.28 0.00 -2.87 0.00 0.00 58.31 55.41 2crg n LYS 41 Cb 0.59 -2.04 0.19 0.00 -1.84 0.00 0.00 35.03 31.93 2crg n LYS 41 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2crg n SER 42 N -0.33 0.18 0.00 4.39 7.64 -1.26 -4.94 113.62 119.31 2crg n SER 42 Ca 0.13 -1.51 -0.06 0.00 1.01 0.00 0.00 58.87 58.44 2crg n SER 42 Cb 0.46 -0.95 -0.04 0.00 -1.01 0.00 0.00 64.21 62.67 2crg n SER 42 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2crg h LEU 43 N 0.00 -0.11 -0.07 -3.43 7.12 -1.94 -3.30 115.31 113.59 2crg h LEU 43 Ca -0.41 -0.23 -0.03 0.00 0.13 0.00 0.00 57.88 57.35 2crg h LEU 43 Cb 1.14 0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 41.30 2crg h LEU 43 CO 0.30 0.47 -0.06 0.74 -0.13 0.00 0.00 178.44 179.75 2crg h THR 44 N -1.00 1.37 -0.89 1.05 2.02 -1.98 -3.27 112.91 110.22 2crg h THR 44 Ca -0.01 -1.22 0.14 0.00 0.77 0.00 0.00 66.41 66.09 2crg h THR 44 Cb 0.33 2.04 -0.14 0.00 -1.74 0.00 0.00 68.15 68.64 2crg h THR 44 CO 0.02 0.34 -0.35 -0.24 0.37 0.00 0.00 175.52 175.66 2crg n SER 45 N -4.72 -0.57 -0.20 4.18 2.88 -1.26 0.22 113.62 114.14 2crg n SER 45 Ca -0.07 1.55 0.10 0.00 -1.33 0.00 0.00 58.87 59.12 2crg n SER 45 Cb 0.30 -0.36 0.40 0.00 -0.75 0.00 0.00 64.21 63.80 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 0.22 2.46 2.04 -1.64 -2.31 117.51 119.19 2crg h ILE 46 Ca 0.31 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 2crg h ILE 46 Cb 0.53 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2crg h ILE 46 CO -0.88 0.12 -0.11 0.40 0.00 0.00 0.00 178.15 177.68 2crg h ILE 47 N 0.65 0.84 -0.76 -0.67 2.04 0.26 -3.09 117.51 116.77 2crg h ILE 47 Ca 0.37 -0.30 0.15 0.00 1.00 0.00 0.00 64.86 66.08 2crg h ILE 47 Cb 0.55 1.02 -0.14 0.00 -0.74 0.00 0.00 36.82 37.50 2crg h ILE 47 CO -0.14 0.07 -0.20 -0.62 0.00 0.00 0.00 178.15 177.26 2crg n GLU 48 N -5.15 -0.08 -0.24 2.37 1.02 -0.66 0.17 120.64 118.07 2crg n GLU 48 Ca -0.09 1.19 0.05 0.00 -0.02 0.00 0.00 57.16 58.29 2crg n GLU 48 Cb 0.19 -1.78 0.16 0.00 -0.02 0.00 0.00 31.44 30.00 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 0.13 -0.76 -0.32 5.03 -1.58 -1.77 116.97 117.70 2crg h TYR 49 Ca 0.36 0.05 0.09 0.00 2.58 0.00 0.00 58.73 61.80 2crg h TYR 49 Cb 0.55 0.06 -0.11 0.00 1.55 0.00 0.00 36.73 38.77 2crg h TYR 49 CO -0.60 -0.15 -0.51 -0.92 -1.32 0.00 0.00 178.16 174.66 2crg h TYR 50 N 0.19 -1.58 -0.21 -3.82 3.20 0.16 0.76 116.97 115.67 2crg h TYR 50 Ca 0.40 0.10 0.02 0.00 3.14 0.00 0.00 58.73 62.40 2crg h TYR 50 Cb 0.70 0.79 -0.04 0.00 1.54 0.00 0.00 36.73 39.72 2crg h TYR 50 CO -0.33 -0.42 -0.27 1.88 -1.64 0.00 0.00 178.16 177.38 2crg h TYR 51 N -0.14 -0.84 -0.09 -3.82 0.05 -1.35 -0.03 116.97 110.74 2crg h TYR 51 Ca 0.17 0.04 0.02 0.00 0.05 0.00 0.00 58.73 59.02 2crg h TYR 51 Cb 0.52 0.40 -0.04 0.00 1.01 0.00 0.00 36.73 38.61 2crg h TYR 51 CO -0.86 -0.24 -0.36 1.98 -1.05 0.00 0.00 178.16 177.63 2crg h MET 52 N -0.19 -0.37 -1.41 4.88 4.05 -1.34 0.86 114.93 121.42 2crg h MET 52 Ca 0.04 0.03 0.45 0.00 -0.28 0.00 0.00 59.70 59.94 2crg h MET 52 Cb 0.29 0.08 -0.12 0.00 -0.80 0.00 0.00 31.60 31.05 2crg h MET 52 CO -0.30 -0.25 0.93 2.35 0.23 0.00 0.00 176.91 179.87 2crg h TRP 53 N -0.39 0.44 -0.09 1.39 7.01 -0.57 1.35 115.95 125.10 2crg h TRP 53 Ca 0.02 0.02 -0.23 0.00 2.11 0.00 0.00 58.89 60.81 2crg h TRP 53 Cb 0.45 -0.11 0.01 0.00 -2.10 0.00 0.00 29.16 27.41 2crg h TRP 53 CO -0.54 -0.18 -0.86 -0.22 -2.79 0.00 0.00 178.44 173.85 2crg h LYS 54 N 0.06 0.68 -0.39 2.65 1.63 0.11 -3.28 116.57 118.04 2crg h LYS 54 Ca 0.83 -0.62 -0.04 0.00 -0.85 0.00 0.00 60.65 59.98 2crg h LYS 54 Cb 2.74 0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 34.50 2crg h LYS 54 CO -0.36 1.22 0.10 1.79 -3.45 0.00 0.00 179.45 178.76 2crg h THR 55 N 0.44 1.22 -2.00 1.00 1.35 0.34 -3.42 112.91 111.84 2crg h THR 55 Ca -0.07 -0.75 -0.54 0.00 -0.55 0.00 0.00 66.41 64.49 2crg h THR 55 Cb 1.49 0.98 0.24 0.00 -1.73 0.00 0.00 68.15 69.13 2crg h THR 55 CO 0.17 0.26 -1.86 0.35 -0.25 0.00 0.00 175.52 174.19 2crg n THR 56 N -4.59 0.00 -0.84 6.82 -2.24 -0.28 -4.70 114.28 108.45 2crg n THR 56 Ca -0.01 -0.44 -0.08 0.00 -2.27 0.00 0.00 64.05 61.25 2crg n THR 56 Cb 0.19 -0.04 -0.11 0.00 -2.10 0.00 0.00 70.33 68.28 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 3.21 5.31 -0.07 3.42 5.68 -1.26 -4.14 116.55 128.70 2crg n ASP 57 Ca -0.02 -2.48 -0.07 0.00 -0.50 0.00 0.00 54.79 51.72 2crg n ASP 57 Cb 0.57 -1.32 -0.02 0.00 -1.14 0.00 0.00 41.12 39.21 2crg n ASP 57 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 2crg n ARG 58 N 2.11 0.44 -3.77 0.11 0.00 -1.26 -4.90 116.66 109.38 2crg n ARG 58 Ca 0.29 0.17 -0.29 0.00 -0.00 0.00 0.00 57.85 58.01 2crg n ARG 58 Cb 0.77 -1.26 -0.13 0.00 0.00 0.00 0.00 32.46 31.84 2crg n ARG 58 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 2crg s TYR 59 N -2.63 2.38 -0.16 -0.14 6.14 -1.26 -5.07 117.35 116.61 2crg s TYR 59 Ca -0.24 -2.68 -0.11 0.00 0.64 0.00 0.00 57.07 54.67 2crg s TYR 59 Cb 0.03 -2.15 0.05 0.00 0.42 0.00 0.00 41.96 40.31 2crg s TYR 59 CO 0.35 -0.75 0.40 0.54 0.64 0.00 0.00 175.55 176.73 2crg s VAL 60 N 0.03 -0.01 -1.42 3.14 0.11 -1.26 -4.91 120.40 116.08 2crg s VAL 60 Ca 0.19 0.05 -0.09 0.00 -2.93 0.00 0.00 61.98 59.19 2crg s VAL 60 Cb -0.22 -0.58 0.04 0.00 -1.53 0.00 0.00 36.38 34.09 2crg s VAL 60 CO -0.02 0.02 1.04 0.00 -3.33 0.00 0.00 175.10 172.81 2crg n GLN 61 N 3.58 -6.57 -1.82 1.54 1.13 -1.26 -4.86 117.38 109.12 2crg n GLN 61 Ca -0.18 0.71 -0.43 0.00 -1.94 0.00 0.00 57.00 55.16 2crg n GLN 61 Cb 0.56 -5.65 -0.03 0.00 0.11 0.00 0.00 30.24 25.23 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 -6.34 3.20 -0.49 -1.09 -0.44 -1.26 -4.85 119.66 108.39 2crg s GLN 62 Ca 0.52 1.66 -0.46 0.00 -2.50 0.00 0.00 55.36 54.58 2crg s GLN 62 Cb -0.24 -4.29 -0.20 0.00 -1.64 0.00 0.00 33.01 26.64 2crg s GLN 62 CO 0.78 -2.02 1.70 1.17 0.50 0.00 0.00 175.29 177.42 2crg n LYS 63 N 8.60 0.07 -4.28 1.67 3.00 -1.26 -4.93 118.16 121.03 2crg n LYS 63 Ca 0.26 0.03 -0.20 0.00 -0.00 0.00 0.00 58.31 58.40 2crg n LYS 63 Cb 0.46 -1.54 -0.11 0.00 0.00 0.00 0.00 35.03 33.84 2crg n LYS 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2crg s ARG 64 N 3.56 1.14 -0.39 1.64 6.06 -1.26 -5.08 118.95 124.63 2crg s ARG 64 Ca 1.07 -1.32 -0.27 0.00 -2.50 0.00 0.00 55.73 52.70 2crg s ARG 64 Cb -1.47 -1.10 -0.04 0.00 0.06 0.00 0.00 34.95 32.40 2crg s ARG 64 CO 0.78 0.22 2.04 -1.12 -2.50 0.00 0.00 175.30 174.72 2crg s SER 65 N -2.57 5.36 0.00 -2.12 0.01 -1.26 -4.76 113.70 108.35 2crg s SER 65 Ca 0.12 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.61 2crg s SER 65 Cb -0.05 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2crg s SER 65 CO 0.05 -2.15 0.00 0.61 0.41 0.00 0.00 173.24 172.16 2crg n GLY 66 N 5.68 4.37 3.71 3.44 0.00 -1.26 -5.13 105.19 115.99 2crg n GLY 66 Ca 0.27 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.86 1.01 0.00 1.61 0.04 -1.26 -5.01 135.00 127.53 2crg s PRO 67 Ca 0.00 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2crg s PRO 67 Cb 0.00 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2crg s PRO 67 CO 0.00 -2.38 0.00 -1.13 0.04 0.00 0.00 177.00 173.53 2crg n SER 68 N -3.97 4.06 -4.69 6.66 3.41 -1.26 -5.02 113.62 112.82 2crg n SER 68 Ca 0.06 0.00 -0.50 0.00 -0.26 0.00 0.00 58.87 58.17 2crg n SER 68 Cb 0.56 0.19 -0.05 0.00 -0.26 0.00 0.00 64.21 64.64 2crg n SER 68 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2crg n SER 69 N -2.21 3.23 0.00 4.04 7.64 -1.26 -5.32 113.62 119.75 2crg n SER 69 Ca 0.00 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.88 2crg n SER 69 Cb 0.46 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 2crg n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64