#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2l n SER 2 N 0.00 -7.57 0.00 1.61 7.64 -1.26 -5.10 113.62 108.94 1x2l n SER 2 Ca 0.00 1.34 0.00 0.00 1.01 0.00 0.00 58.87 61.22 1x2l n SER 2 Cb 0.00 -4.11 0.00 0.00 -1.01 0.00 0.00 64.21 59.09 1x2l n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x2l n SER 3 N 1.36 0.00 0.00 6.43 2.88 -1.26 -5.19 113.62 117.84 1x2l n SER 3 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x2l n SER 3 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1x2l n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x2l n GLY 4 N 2.08 -2.46 3.64 0.46 0.00 -1.26 -5.16 105.19 102.49 1x2l n GLY 4 Ca 0.00 -1.29 -0.08 0.00 0.00 0.00 0.00 46.02 44.65 1x2l n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x2l s SER 5 N -1.10 -0.89 -0.23 1.61 1.04 -1.26 -5.14 113.70 107.73 1x2l s SER 5 Ca 0.00 1.47 -0.03 0.00 0.48 0.00 0.00 55.95 57.87 1x2l s SER 5 Cb 0.00 1.39 0.11 0.00 0.10 0.00 0.00 66.02 67.62 1x2l s SER 5 CO 0.00 -0.24 0.27 -0.55 0.98 0.00 0.00 173.24 173.70 1x2l s SER 6 N 1.39 1.16 0.00 7.02 0.15 -1.26 -5.06 113.70 117.10 1x2l s SER 6 Ca -0.08 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.37 1x2l s SER 6 Cb -0.05 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1x2l s SER 6 CO -0.16 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.56 1x2l n GLY 7 N 5.33 -1.99 3.68 9.45 0.00 -1.26 -5.17 105.19 115.23 1x2l n GLY 7 Ca -0.05 1.03 -0.31 0.00 0.00 0.00 0.00 46.02 46.70 1x2l n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x2l s ALA 8 N 0.00 1.48 0.00 4.61 0.00 -1.26 -4.96 121.76 121.63 1x2l s ALA 8 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1x2l s ALA 8 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1x2l s ALA 8 CO 0.00 -2.61 0.00 0.41 0.00 0.00 0.00 175.76 173.56 1x2l n GLY 9 N -0.15 -0.09 3.64 0.00 0.00 -1.26 -5.15 105.19 102.17 1x2l n GLY 9 Ca 0.10 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1x2l n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x2l n PRO 10 N 0.00 -0.56 -3.64 1.61 -0.04 -1.26 -5.04 135.00 126.06 1x2l n PRO 10 Ca 0.00 -0.10 -0.02 0.00 -0.04 0.00 0.00 63.50 63.33 1x2l n PRO 10 Cb 0.00 -2.33 -0.01 0.00 -0.04 0.00 0.00 33.50 31.12 1x2l n PRO 10 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1x2l s GLY 11 N -2.58 -0.34 -0.49 0.55 0.00 -1.26 -5.07 107.32 98.12 1x2l s GLY 11 Ca 0.66 0.71 0.07 0.00 0.00 0.00 0.00 44.72 46.16 1x2l s GLY 11 CO 0.59 0.18 0.98 0.00 0.00 0.00 0.00 173.10 174.85 1x2l n ALA 12 N -0.38 4.44 -2.62 3.20 0.00 -1.26 -5.05 120.51 118.84 1x2l n ALA 12 Ca -0.06 -4.33 -0.28 0.00 0.00 0.00 0.00 53.44 48.76 1x2l n ALA 12 Cb 0.61 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 19.33 1x2l n ALA 12 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1x2l s GLU 13 N -3.36 3.59 0.10 0.00 0.41 -1.26 -5.09 118.70 113.08 1x2l s GLU 13 Ca 0.46 -0.13 -0.30 0.00 -0.41 0.00 0.00 54.97 54.59 1x2l s GLU 13 Cb 0.34 -2.72 -0.06 0.00 -1.78 0.00 0.00 34.13 29.91 1x2l s GLU 13 CO -0.14 0.29 1.10 -2.00 -0.49 0.00 0.00 175.26 174.02 1x2l s GLU 14 N -3.45 4.54 0.43 1.61 2.12 -1.26 -5.08 118.70 117.61 1x2l s GLU 14 Ca 0.42 1.65 0.04 0.00 0.36 0.00 0.00 54.97 57.44 1x2l s GLU 14 Cb -0.11 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 1x2l s GLU 14 CO 0.29 -0.05 0.14 -1.83 -0.54 0.00 0.00 175.26 173.27 1x2l s GLU 15 N 0.44 2.00 0.21 4.30 -1.05 -1.26 -5.13 118.70 118.20 1x2l s GLU 15 Ca 0.53 -2.23 -0.30 0.00 -0.15 0.00 0.00 54.97 52.81 1x2l s GLU 15 Cb -0.27 -0.61 -0.08 0.00 -0.44 0.00 0.00 34.13 32.73 1x2l s GLU 15 CO 0.31 -0.52 0.96 -0.65 0.95 0.00 0.00 175.26 176.31 1x2l s GLN 16 N -3.67 4.79 -0.04 -4.83 -0.21 -1.26 -5.06 119.66 109.38 1x2l s GLN 16 Ca 0.21 1.51 0.03 0.00 0.02 0.00 0.00 55.36 57.14 1x2l s GLN 16 Cb 0.01 -3.30 0.00 0.00 1.00 0.00 0.00 33.01 30.73 1x2l s GLN 16 CO 0.14 0.40 -0.14 -0.51 -2.12 0.00 0.00 175.29 173.06 1x2l s LEU 17 N -0.85 1.82 -0.54 2.90 1.43 -1.26 -5.09 118.68 117.09 1x2l s LEU 17 Ca 0.43 -0.29 -0.27 0.00 -1.03 0.00 0.00 54.13 52.97 1x2l s LEU 17 Cb -0.26 -0.81 -0.00 0.00 0.03 0.00 0.00 46.19 45.15 1x2l s LEU 17 CO 0.32 0.10 1.62 -1.81 0.23 0.00 0.00 176.35 176.81 1x2l s ASP 18 N 0.21 5.82 0.21 2.29 1.11 -1.26 -4.55 116.67 120.51 1x2l s ASP 18 Ca -0.06 0.46 -0.05 0.00 0.18 0.00 0.00 52.55 53.08 1x2l s ASP 18 Cb -0.11 -2.54 0.18 0.00 1.07 0.00 0.00 42.92 41.51 1x2l s ASP 18 CO 0.02 -1.92 1.65 0.71 1.18 0.00 0.00 175.17 176.81 1x2l h THR 19 N 6.60 1.26 0.00 -1.27 1.35 -1.87 -0.28 112.91 118.70 1x2l h THR 19 Ca -0.28 -1.22 -0.08 0.00 -0.55 0.00 0.00 66.41 64.28 1x2l h THR 19 Cb 1.13 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 1x2l h THR 19 CO 1.17 0.42 -0.37 0.00 -0.25 0.00 0.00 175.52 176.49 1x2l h ALA 20 N 1.08 1.30 0.00 6.62 0.00 -1.89 0.76 119.26 127.13 1x2l h ALA 20 Ca 0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1x2l h ALA 20 Cb 0.63 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1x2l h ALA 20 CO 0.04 0.46 -0.08 1.49 0.00 0.00 0.00 179.25 181.16 1x2l h GLU 21 N 0.00 0.05 -0.41 0.00 4.57 -1.87 -1.08 114.58 115.85 1x2l h GLU 21 Ca -0.00 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1x2l h GLU 21 Cb 0.69 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.25 1x2l h GLU 21 CO 0.05 0.84 0.17 0.82 -1.18 0.00 0.00 179.01 179.71 1x2l h ILE 22 N -0.72 0.92 0.15 2.32 2.04 -0.95 0.24 117.51 121.51 1x2l h ILE 22 Ca -0.01 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.74 1x2l h ILE 22 Cb 0.87 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1x2l h ILE 22 CO 0.02 0.06 -0.23 0.00 0.00 0.00 0.00 178.15 178.00 1x2l h ALA 23 N 1.24 -0.41 0.05 1.87 0.00 -0.88 -0.57 119.26 120.56 1x2l h ALA 23 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1x2l h ALA 23 Cb 0.14 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1x2l h ALA 23 CO -0.16 -0.77 -0.12 0.35 0.00 0.00 0.00 179.25 178.55 1x2l h PHE 24 N -0.44 -0.34 -0.96 0.00 3.57 -0.80 -2.54 116.94 115.43 1x2l h PHE 24 Ca 0.02 0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.72 1x2l h PHE 24 Cb 0.45 0.14 -0.09 0.00 2.79 0.00 0.00 35.95 39.24 1x2l h PHE 24 CO -0.19 -0.14 0.61 1.96 -2.23 0.00 0.00 178.31 178.32 1x2l h GLN 25 N -0.18 0.59 0.21 1.11 4.20 -0.48 0.88 115.11 121.44 1x2l h GLN 25 Ca -0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1x2l h GLN 25 Cb 0.17 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1x2l h GLN 25 CO -0.05 0.39 -0.10 0.28 -0.67 0.00 0.00 178.83 178.68 1x2l h VAL 26 N 0.61 0.85 -0.81 -0.54 2.07 -1.05 -0.95 116.25 116.43 1x2l h VAL 26 Ca 0.53 -0.30 0.09 0.00 0.82 0.00 0.00 66.70 67.84 1x2l h VAL 26 Cb 1.02 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 31.75 1x2l h VAL 26 CO -0.28 0.07 0.46 0.11 0.02 0.00 0.00 177.57 177.95 1x2l h LYS 27 N -0.43 0.75 0.45 1.57 1.57 -0.44 0.21 116.57 120.27 1x2l h LYS 27 Ca -0.03 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1x2l h LYS 27 Cb 0.33 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1x2l h LYS 27 CO 0.05 0.50 -0.33 0.93 -0.57 0.00 0.00 179.45 180.02 1x2l h GLU 28 N 0.77 -0.74 -0.44 3.15 4.39 -1.06 -0.27 114.58 120.38 1x2l h GLU 28 Ca 0.39 0.05 -0.03 0.00 0.34 0.00 0.00 59.36 60.12 1x2l h GLU 28 Cb 0.36 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1x2l h GLU 28 CO -0.25 -0.49 0.17 1.96 -1.16 0.00 0.00 179.01 179.24 1x2l h GLN 29 N -0.77 0.63 0.10 2.33 1.08 -0.67 0.27 115.11 118.09 1x2l h GLN 29 Ca -0.05 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 1x2l h GLN 29 Cb 0.65 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 1x2l h GLN 29 CO 0.02 0.53 -0.05 -0.07 -0.95 0.00 0.00 178.83 178.31 1x2l h LEU 30 N 0.63 -0.12 -1.45 1.46 3.38 -0.80 -3.02 115.31 115.38 1x2l h LEU 30 Ca 0.15 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1x2l h LEU 30 Cb 0.14 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1x2l h LEU 30 CO -0.01 0.17 0.40 -0.07 0.09 0.00 0.00 178.44 179.02 1x2l h LEU 31 N -0.41 0.62 -1.67 1.67 3.38 -0.50 0.29 115.31 118.69 1x2l h LEU 31 Ca -0.01 -0.01 0.27 0.00 0.09 0.00 0.00 57.88 58.21 1x2l h LEU 31 Cb 0.34 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 1x2l h LEU 31 CO 0.02 0.43 0.68 0.50 0.09 0.00 0.00 178.44 180.17 1x2l h LYS 32 N 0.72 0.22 0.00 1.13 3.64 -0.35 -1.12 116.57 120.82 1x2l h LYS 32 Ca 0.24 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1x2l h LYS 32 Cb 0.08 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1x2l h LYS 32 CO -0.07 0.15 -0.13 0.72 -2.27 0.00 0.00 179.45 177.85 1x2l n HIS 33 N -4.43 0.00 -3.12 1.91 8.25 -0.85 -5.02 115.22 111.96 1x2l n HIS 33 Ca 0.22 -0.48 -0.23 0.00 -0.26 0.00 0.00 57.72 56.98 1x2l n HIS 33 Cb 0.93 -0.08 0.04 0.00 1.12 0.00 0.00 29.99 32.01 1x2l n HIS 33 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1x2l n ASN 34 N -0.65 -6.20 -4.88 0.41 4.13 0.51 -4.99 115.26 103.60 1x2l n ASN 34 Ca 0.06 -0.33 -0.30 0.00 1.68 0.00 0.00 54.58 55.69 1x2l n ASN 34 Cb 0.55 -4.97 -0.01 0.00 -1.54 0.00 0.00 39.78 33.80 1x2l n ASN 34 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1x2l s ILE 35 N -3.21 4.75 -0.03 2.41 1.01 0.73 -4.93 121.20 121.93 1x2l s ILE 35 Ca 0.35 0.71 -0.03 0.00 0.00 0.00 0.00 60.65 61.68 1x2l s ILE 35 Cb -0.16 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1x2l s ILE 35 CO 0.44 -0.84 0.14 -0.83 0.00 0.00 0.00 174.94 173.85 1x2l s GLY 36 N -3.71 2.12 0.40 6.18 0.00 -1.26 -4.53 107.32 106.52 1x2l s GLY 36 Ca 0.53 -0.77 0.11 0.00 0.00 0.00 0.00 44.72 44.58 1x2l s GLY 36 CO 0.42 -0.63 1.94 1.46 0.00 0.00 0.00 173.10 176.29 1x2l h GLN 37 N 4.10 0.56 0.89 2.90 4.20 -1.99 -2.96 115.11 122.81 1x2l h GLN 37 Ca -0.50 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.13 1x2l h GLN 37 Cb 1.19 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 28.85 1x2l h GLN 37 CO 0.65 0.37 -0.44 -0.09 -0.67 0.00 0.00 178.83 178.65 1x2l h ARG 38 N 0.57 -1.17 -0.64 1.46 2.43 -1.96 0.04 114.38 115.11 1x2l h ARG 38 Ca 0.34 0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.65 1x2l h ARG 38 Cb 0.54 0.27 -0.06 0.00 -0.42 0.00 0.00 29.97 30.30 1x2l h ARG 38 CO -0.12 -0.78 0.34 0.28 -1.51 0.00 0.00 179.97 178.19 1x2l h VAL 39 N -1.21 0.94 -0.14 0.20 2.07 -1.95 0.39 116.25 116.54 1x2l h VAL 39 Ca -0.12 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.21 1x2l h VAL 39 Cb 0.94 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1x2l h VAL 39 CO 0.19 0.11 -0.01 0.15 0.02 0.00 0.00 177.57 178.04 1x2l h PHE 40 N 0.63 -0.02 0.00 1.57 3.57 -1.43 -0.52 116.94 120.73 1x2l h PHE 40 Ca 0.29 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.73 1x2l h PHE 40 Cb 0.21 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1x2l h PHE 40 CO -0.09 -0.03 -0.32 0.78 -2.23 0.00 0.00 178.31 176.42 1x2l h GLY 41 N 0.04 0.00 0.88 2.40 0.00 -0.16 0.16 103.07 106.38 1x2l h GLY 41 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.19 1x2l h GLY 41 CO -0.12 0.00 -0.87 0.84 0.00 0.00 0.00 176.54 176.39 1x2l h HIS 42 N 0.00 0.70 0.00 5.60 -0.00 0.03 0.46 115.15 121.94 1x2l h HIS 42 Ca -0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 1x2l h HIS 42 Cb 0.90 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.25 1x2l h HIS 42 CO 0.00 1.30 -0.07 1.88 -0.00 0.00 0.00 177.93 181.04 1x2l h TYR 43 N -0.09 0.00 -0.63 5.26 -1.99 -1.02 -3.12 116.97 115.38 1x2l h TYR 43 Ca -0.13 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.57 1x2l h TYR 43 Cb 1.61 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 40.31 1x2l h TYR 43 CO 0.16 0.00 0.28 0.28 -0.00 0.00 0.00 178.16 178.88 1x2l h VAL 44 N -0.18 1.23 0.03 -2.88 2.07 -1.15 -3.30 116.25 112.06 1x2l h VAL 44 Ca 0.00 -0.67 -0.38 0.00 0.82 0.00 0.00 66.70 66.47 1x2l h VAL 44 Cb 0.07 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 1x2l h VAL 44 CO 0.00 0.27 -2.20 0.18 0.02 0.00 0.00 177.57 175.84 1x2l n LEU 45 N -4.47 2.48 0.00 2.57 4.77 -1.09 -4.86 117.00 116.40 1x2l n LEU 45 Ca 0.04 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1x2l n LEU 45 Cb 0.15 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 1x2l n LEU 45 CO 0.39 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 1x2l n GLY 46 N 1.83 0.55 3.88 -0.72 0.00 0.14 -4.85 105.19 106.02 1x2l n GLY 46 Ca -0.43 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 44.56 1x2l n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x2l s LEU 47 N 0.00 3.15 0.78 0.99 1.43 0.11 -4.95 118.68 120.19 1x2l s LEU 47 Ca 0.00 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 52.07 1x2l s LEU 47 Cb 0.00 -1.73 0.06 0.00 0.03 0.00 0.00 46.19 44.56 1x2l s LEU 47 CO 0.00 -0.82 1.10 -0.44 0.23 0.00 0.00 176.35 176.42 1x2l s SER 48 N -4.19 4.36 0.16 2.29 0.01 -1.26 -3.69 113.70 111.37 1x2l s SER 48 Ca 0.45 1.89 -0.24 0.00 1.31 0.00 0.00 55.95 59.35 1x2l s SER 48 Cb -0.02 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.71 1x2l s SER 48 CO 0.26 -2.14 1.59 -0.61 0.41 0.00 0.00 173.24 172.76 1x2l h GLN 49 N -1.12 -0.29 -0.38 12.44 -0.00 -1.90 -1.95 115.11 121.92 1x2l h GLN 49 Ca -0.44 0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.22 1x2l h GLN 49 Cb 1.24 0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.76 1x2l h GLN 49 CO 0.50 -0.19 0.16 0.78 0.00 0.00 0.00 178.83 180.09 1x2l h GLY 50 N -0.30 0.56 0.48 2.39 0.00 -1.98 -1.46 103.07 102.77 1x2l h GLY 50 Ca 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1x2l h GLY 50 CO -0.52 0.24 -0.23 1.76 0.00 0.00 0.00 176.54 177.79 1x2l h SER 51 N 0.53 -0.55 -0.62 0.19 0.02 -1.75 -2.61 113.55 108.77 1x2l h SER 51 Ca 0.13 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1x2l h SER 51 Cb 0.09 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1x2l h SER 51 CO -0.02 -0.36 0.40 -0.37 -1.14 0.00 0.00 176.83 175.35 1x2l h VAL 52 N -0.72 1.17 -0.85 2.27 -1.51 -1.27 -2.15 116.25 113.19 1x2l h VAL 52 Ca -0.07 -0.32 0.12 0.00 -1.23 0.00 0.00 66.70 65.20 1x2l h VAL 52 Cb 0.50 0.26 -0.08 0.00 -2.13 0.00 0.00 31.29 29.83 1x2l h VAL 52 CO 0.11 0.16 0.46 -1.28 -1.23 0.00 0.00 177.57 175.80 1x2l h SER 53 N 0.85 0.62 -0.30 4.19 0.87 -1.28 0.14 113.55 118.63 1x2l h SER 53 Ca 0.23 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1x2l h SER 53 Cb -0.08 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1x2l h SER 53 CO -0.05 0.31 0.17 -0.08 -0.53 0.00 0.00 176.83 176.66 1x2l h GLU 54 N 0.72 0.42 -0.72 2.24 4.57 -0.99 0.02 114.58 120.84 1x2l h GLU 54 Ca 0.43 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.55 1x2l h GLU 54 Cb 0.51 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 1x2l h GLU 54 CO -0.30 0.34 0.36 0.82 -1.18 0.00 0.00 179.01 179.05 1x2l h ILE 55 N 0.38 1.22 -0.06 2.32 2.04 -0.85 0.26 117.51 122.83 1x2l h ILE 55 Ca 0.11 -0.61 -0.15 0.00 1.00 0.00 0.00 64.86 65.21 1x2l h ILE 55 Cb 0.04 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1x2l h ILE 55 CO -0.02 0.26 -0.64 -0.07 0.00 0.00 0.00 178.15 177.68 1x2l h LEU 56 N 1.02 0.27 0.12 1.44 3.38 -0.55 -2.74 115.31 118.25 1x2l h LEU 56 Ca 0.25 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1x2l h LEU 56 Cb 0.08 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1x2l h LEU 56 CO -0.04 0.84 -0.06 0.00 0.09 0.00 0.00 178.44 179.28 1x2l h ALA 57 N 1.16 -0.16 -2.15 1.53 0.00 -0.48 -3.42 119.26 115.73 1x2l h ALA 57 Ca -0.01 -0.22 -0.58 0.00 0.00 0.00 0.00 54.91 54.10 1x2l h ALA 57 Cb 1.16 0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.62 1x2l h ALA 57 CO 0.10 -0.35 -0.93 0.54 0.00 0.00 0.00 179.25 178.61 1x2l n ARG 58 N -4.95 1.17 -2.23 0.00 1.74 0.88 -5.04 116.66 108.23 1x2l n ARG 58 Ca -0.09 -3.66 -0.38 0.00 -0.77 0.00 0.00 57.85 52.96 1x2l n ARG 58 Cb 0.25 -1.59 -0.02 0.00 -1.02 0.00 0.00 32.46 30.08 1x2l n ARG 58 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1x2l n PRO 59 N 1.48 2.54 -1.00 5.56 -0.04 -1.04 -4.62 135.00 137.88 1x2l n PRO 59 Ca 0.24 -2.86 -0.34 0.00 -0.04 0.00 0.00 63.50 60.51 1x2l n PRO 59 Cb 0.48 -3.51 0.11 0.00 -0.04 0.00 0.00 33.50 30.54 1x2l n PRO 59 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x2l n LYS 60 N 8.02 -0.01 -1.66 0.54 5.02 -1.26 -4.33 118.16 124.47 1x2l n LYS 60 Ca 0.48 0.06 -0.41 0.00 -2.02 0.00 0.00 58.31 56.42 1x2l n LYS 60 Cb 0.45 -2.05 0.02 0.00 -0.02 0.00 0.00 35.03 33.42 1x2l n LYS 60 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1x2l n PRO 61 N -2.08 1.62 -0.10 1.97 -0.02 -1.26 -4.77 135.00 130.36 1x2l n PRO 61 Ca 0.10 0.58 -0.06 0.00 -2.02 0.00 0.00 63.50 62.10 1x2l n PRO 61 Cb 0.52 -2.25 0.01 0.00 -0.02 0.00 0.00 33.50 31.75 1x2l n PRO 61 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1x2l h TRP 62 N 1.71 0.03 -0.33 6.00 2.91 -1.89 0.20 115.95 124.58 1x2l h TRP 62 Ca -0.47 0.02 0.10 0.00 1.13 0.00 0.00 58.89 59.67 1x2l h TRP 62 Cb 1.32 0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 29.99 1x2l h TRP 62 CO 0.45 -0.03 0.34 0.07 -1.03 0.00 0.00 178.44 178.24 1x2l h ARG 63 N 0.13 0.00 0.08 2.65 -0.00 -1.93 -1.67 114.38 113.64 1x2l h ARG 63 Ca 0.16 0.00 -0.25 0.00 -0.00 0.00 0.00 59.98 59.89 1x2l h ARG 63 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.18 1x2l h ARG 63 CO -0.25 0.00 -1.13 0.87 -0.00 0.00 0.00 179.97 179.46 1x2l h LYS 64 N 0.00 0.28 -7.01 0.08 1.79 -0.97 -3.47 116.57 107.28 1x2l h LYS 64 Ca 0.16 -0.41 -0.46 0.00 -2.18 0.00 0.00 60.65 57.76 1x2l h LYS 64 Cb 0.83 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1x2l h LYS 64 CO -0.00 1.16 0.37 -0.51 -1.08 0.00 0.00 179.45 179.38 1x2l s LEU 65 N -7.28 4.04 0.91 2.94 1.43 -0.63 -4.99 118.68 115.11 1x2l s LEU 65 Ca -0.04 1.85 -0.13 0.00 -1.03 0.00 0.00 54.13 54.79 1x2l s LEU 65 Cb 0.08 -4.36 0.19 0.00 0.03 0.00 0.00 46.19 42.12 1x2l s LEU 65 CO 0.87 -0.43 1.26 0.42 0.23 0.00 0.00 176.35 178.70 1x2l s THR 66 N -1.91 2.02 0.16 5.49 -4.23 -1.26 -4.77 115.64 111.15 1x2l s THR 66 Ca 0.60 -0.13 -0.15 0.00 -1.18 0.00 0.00 61.69 60.83 1x2l s THR 66 Cb -0.15 -2.90 0.05 0.00 1.34 0.00 0.00 72.50 70.84 1x2l s THR 66 CO 0.20 0.00 1.74 0.58 -0.54 0.00 0.00 174.62 176.60 1x2l h VAL 67 N -1.42 0.84 0.00 2.29 2.07 -1.97 0.20 116.25 118.25 1x2l h VAL 67 Ca -0.43 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1x2l h VAL 67 Cb 1.24 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1x2l h VAL 67 CO 0.38 0.05 0.00 0.29 0.02 0.00 0.00 177.57 178.31 1x2l n LYS 68 N -5.05 0.04 0.00 1.57 4.76 -1.26 -0.55 118.16 117.67 1x2l n LYS 68 Ca 0.02 0.30 -0.20 0.00 -2.87 0.00 0.00 58.31 55.56 1x2l n LYS 68 Cb 0.16 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 31.71 1x2l n LYS 68 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x2l n GLY 69 N -0.55 -0.59 0.20 0.72 0.00 0.06 -4.39 105.19 100.63 1x2l n GLY 69 Ca 0.03 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.87 1x2l n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x2l h LYS 70 N 0.07 0.00 -0.55 1.61 1.57 0.44 -3.37 116.57 116.33 1x2l h LYS 70 Ca -0.41 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.44 1x2l h LYS 70 Cb 2.03 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 34.24 1x2l h LYS 70 CO 0.09 0.20 -0.49 1.49 -0.57 0.00 0.00 179.45 180.16 1x2l h GLU 71 N 0.00 -0.26 -0.04 3.15 4.81 -1.03 0.11 114.58 121.32 1x2l h GLU 71 Ca -0.00 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1x2l h GLU 71 Cb 1.08 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 1x2l h GLU 71 CO 0.03 -0.18 0.02 -1.00 -0.73 0.00 0.00 179.01 177.15 1x2l h PRO 72 N -0.27 0.06 -0.57 0.92 0.13 -1.86 -2.90 132.00 127.51 1x2l h PRO 72 Ca 0.14 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1x2l h PRO 72 Cb 0.56 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.66 1x2l h PRO 72 CO -0.67 0.12 0.37 0.74 -0.23 0.00 0.00 178.00 178.33 1x2l h PHE 73 N -0.02 0.72 0.44 1.56 0.04 -1.40 0.14 116.94 118.42 1x2l h PHE 73 Ca 0.01 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 1x2l h PHE 73 Cb 0.08 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 37.99 1x2l h PHE 73 CO -0.05 0.46 -0.22 0.82 -0.60 0.00 0.00 178.31 178.72 1x2l h ILE 74 N 0.78 0.56 -0.79 -0.55 2.04 -0.79 0.10 117.51 118.86 1x2l h ILE 74 Ca 0.21 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.14 1x2l h ILE 74 Cb -0.08 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 36.49 1x2l h ILE 74 CO -0.04 0.00 0.47 0.11 0.00 0.00 0.00 178.15 178.68 1x2l h LYS 75 N -0.60 0.81 -0.03 2.37 1.57 -1.12 -0.98 116.57 118.58 1x2l h LYS 75 Ca -0.06 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1x2l h LYS 75 Cb 0.46 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1x2l h LYS 75 CO 0.10 0.54 -0.01 0.52 -0.57 0.00 0.00 179.45 180.02 1x2l h MET 76 N 0.83 0.06 -0.46 3.15 2.86 -0.57 -0.99 114.93 119.82 1x2l h MET 76 Ca 0.36 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.92 1x2l h MET 76 Cb 0.23 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1x2l h MET 76 CO -0.20 0.42 0.06 -0.22 1.06 0.00 0.00 176.91 178.03 1x2l h LYS 77 N -0.29 0.71 -0.57 1.72 3.64 -0.52 -0.69 116.57 120.57 1x2l h LYS 77 Ca 0.01 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 1x2l h LYS 77 Cb 0.39 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1x2l h LYS 77 CO 0.00 0.69 0.21 1.96 -2.27 0.00 0.00 179.45 180.04 1x2l h GLN 78 N 0.68 0.86 -0.18 1.90 1.08 -1.17 -0.96 115.11 117.32 1x2l h GLN 78 Ca 0.15 -0.16 0.05 0.00 -1.45 0.00 0.00 58.65 57.23 1x2l h GLN 78 Cb 0.34 -0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 27.58 1x2l h GLN 78 CO 0.01 0.75 -0.14 0.35 -0.95 0.00 0.00 178.83 178.84 1x2l h PHE 79 N 0.78 -0.36 0.00 2.96 3.04 -0.71 -2.05 116.94 120.59 1x2l h PHE 79 Ca 0.19 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.16 1x2l h PHE 79 Cb 0.23 0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.92 1x2l h PHE 79 CO 0.01 -0.21 0.00 1.28 -2.02 0.00 0.00 178.31 177.37 1x2l n LEU 80 N -5.30 0.51 0.00 0.59 4.77 -0.31 -1.85 117.00 115.42 1x2l n LEU 80 Ca -0.02 0.64 0.09 0.00 -0.03 0.00 0.00 56.01 56.69 1x2l n LEU 80 Cb 0.21 -0.59 0.39 0.00 -2.33 0.00 0.00 43.42 41.10 1x2l n LEU 80 CO 0.20 -0.55 0.79 -1.20 -1.33 0.00 0.00 177.39 175.30 1x2l n SER 81 N -2.08 0.01 -3.50 -1.43 7.64 -0.40 -4.67 113.62 109.18 1x2l n SER 81 Ca 0.02 0.50 -0.05 0.00 1.01 0.00 0.00 58.87 60.35 1x2l n SER 81 Cb 0.19 -0.50 -0.07 0.00 -1.01 0.00 0.00 64.21 62.82 1x2l n SER 81 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x2l s ASP 82 N -3.01 -0.45 0.57 6.43 2.15 -0.77 -5.05 116.67 116.54 1x2l s ASP 82 Ca 0.09 0.88 0.27 0.00 0.43 0.00 0.00 52.55 54.22 1x2l s ASP 82 Cb 0.12 1.58 1.56 0.00 -0.30 0.00 0.00 42.92 45.88 1x2l s ASP 82 CO 0.33 -0.25 2.07 -0.08 -0.17 0.00 0.00 175.17 177.07 1x2l h GLU 83 N 8.12 0.00 0.00 4.34 4.81 -1.83 -1.94 114.58 128.08 1x2l h GLU 83 Ca -0.18 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1x2l h GLU 83 Cb 1.13 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 1x2l h GLU 83 CO 0.18 0.00 -0.01 1.96 -0.73 0.00 0.00 179.01 180.41 1x2l h GLN 84 N 0.00 0.00 -0.48 1.92 1.08 -1.96 -1.96 115.11 113.71 1x2l h GLN 84 Ca 0.12 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.33 1x2l h GLN 84 Cb 0.58 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.98 1x2l h GLN 84 CO -0.00 0.01 0.30 -0.91 -0.95 0.00 0.00 178.83 177.28 1x2l h ASN 85 N 0.00 0.51 0.04 1.46 2.35 -1.61 -0.64 115.58 117.70 1x2l h ASN 85 Ca -0.00 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.58 1x2l h ASN 85 Cb 0.01 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1x2l h ASN 85 CO 0.00 0.37 -0.56 1.62 -1.65 0.00 0.00 177.43 177.20 1x2l h VAL 86 N 0.61 1.32 -0.62 2.81 3.04 -1.56 -2.66 116.25 119.21 1x2l h VAL 86 Ca 0.18 -1.82 -0.03 0.00 -1.01 0.00 0.00 66.70 64.02 1x2l h VAL 86 Cb -0.04 1.80 -0.03 0.00 -2.01 0.00 0.00 31.29 31.01 1x2l h VAL 86 CO -0.06 0.56 0.25 -0.07 -1.01 0.00 0.00 177.57 177.25 1x2l h LEU 87 N 0.42 0.85 -1.10 3.16 3.38 -1.19 -1.54 115.31 119.29 1x2l h LEU 87 Ca 0.00 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1x2l h LEU 87 Cb 1.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1x2l h LEU 87 CO 0.11 0.78 -0.29 0.00 0.09 0.00 0.00 178.44 179.12 1x2l h ALA 88 N 1.10 1.24 0.00 1.53 0.00 -1.12 -2.52 119.26 119.49 1x2l h ALA 88 Ca 0.21 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1x2l h ALA 88 Cb 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1x2l h ALA 88 CO -0.02 0.51 -0.18 -0.07 0.00 0.00 0.00 179.25 179.49 1x2l h LEU 89 N 0.24 0.00 -0.79 0.00 -0.00 -0.93 -2.96 115.31 110.87 1x2l h LEU 89 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.90 1x2l h LEU 89 Cb 0.65 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.27 1x2l h LEU 89 CO 0.05 0.18 0.42 0.03 -0.00 0.00 0.00 178.44 179.12 1x2l h ARG 90 N 0.00 1.10 -0.49 1.13 3.08 -0.92 -2.04 114.38 116.24 1x2l h ARG 90 Ca -0.00 -0.14 0.06 0.00 0.07 0.00 0.00 59.98 59.98 1x2l h ARG 90 Cb 0.46 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 1x2l h ARG 90 CO 0.02 0.82 0.19 1.15 -1.07 0.00 0.00 179.97 181.09 1x2l h THR 91 N 1.09 0.85 -0.29 2.04 2.02 -1.63 -2.48 112.91 114.52 1x2l h THR 91 Ca 0.28 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 67.28 1x2l h THR 91 Cb 0.05 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1x2l h THR 91 CO -0.04 0.07 -0.04 0.40 0.37 0.00 0.00 175.52 176.27 1x2l h ILE 92 N 0.37 1.20 0.00 3.11 2.04 -1.44 -1.48 117.51 121.31 1x2l h ILE 92 Ca 0.23 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 1x2l h ILE 92 Cb 0.23 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1x2l h ILE 92 CO -0.23 0.27 -0.12 -0.61 0.00 0.00 0.00 178.15 177.46 1x2l h GLN 93 N 0.44 0.00 0.48 2.37 5.75 -0.93 -0.06 115.11 123.15 1x2l h GLN 93 Ca 0.09 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.57 1x2l h GLN 93 Cb 0.35 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.91 1x2l h GLN 93 CO 0.01 0.12 -0.23 0.28 -2.65 0.00 0.00 178.83 176.37 1x2l h VAL 94 N 0.00 0.06 0.00 2.39 2.07 -1.23 -3.35 116.25 116.19 1x2l h VAL 94 Ca -0.00 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1x2l h VAL 94 Cb 0.39 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1x2l h VAL 94 CO 0.02 0.01 0.00 0.54 0.02 0.00 0.00 177.57 178.16 1x2l n ARG 95 N -5.20 0.86 0.00 1.57 1.74 -0.57 -3.98 116.66 111.07 1x2l n ARG 95 Ca -0.08 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.15 1x2l n ARG 95 Cb 0.26 -1.07 0.75 0.00 -1.02 0.00 0.00 32.46 31.38 1x2l n ARG 95 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1x2l n SER 96 N 0.61 0.71 0.00 0.55 2.88 -0.14 -4.92 113.62 113.31 1x2l n SER 96 Ca 0.00 -1.23 0.00 0.00 -1.33 0.00 0.00 58.87 56.31 1x2l n SER 96 Cb 0.43 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1x2l n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x2l n GLY 97 N 1.08 -1.74 3.20 0.46 0.00 -1.26 -5.05 105.19 101.89 1x2l n GLY 97 Ca 0.22 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1x2l n GLY 97 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x2l n PRO 98 N -0.23 2.72 -2.40 1.61 -0.04 -1.26 -4.85 135.00 130.55 1x2l n PRO 98 Ca 0.00 -2.78 -0.40 0.00 -0.04 0.00 0.00 63.50 60.28 1x2l n PRO 98 Cb 0.00 -3.38 -0.01 0.00 -0.04 0.00 0.00 33.50 30.07 1x2l n PRO 98 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x2l n SER 99 N 8.04 4.45 -1.19 3.54 2.88 -1.26 -4.80 113.62 125.28 1x2l n SER 99 Ca 0.50 -2.87 0.15 0.00 -1.33 0.00 0.00 58.87 55.33 1x2l n SER 99 Cb 0.43 -1.73 -0.05 0.00 -0.75 0.00 0.00 64.21 62.10 1x2l n SER 99 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x2l n SER 100 N 9.46 -7.15 -0.23 -3.46 7.64 -1.26 -5.01 113.62 113.61 1x2l n SER 100 Ca 0.48 0.81 0.03 0.00 1.01 0.00 0.00 58.87 61.21 1x2l n SER 100 Cb 0.46 -3.83 0.02 0.00 -1.01 0.00 0.00 64.21 59.85 1x2l n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64