#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yua n SER 2 N 0.00 6.16 -3.26 1.61 3.41 -1.26 -4.85 113.62 115.43 2yua n SER 2 Ca 0.00 -2.91 -0.12 0.00 -0.26 0.00 0.00 58.87 55.58 2yua n SER 2 Cb 0.00 -1.13 -0.02 0.00 -0.26 0.00 0.00 64.21 62.80 2yua n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yua s SER 3 N 0.70 0.45 0.00 4.04 1.04 -1.26 -5.13 113.70 113.55 2yua s SER 3 Ca 0.32 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.48 2yua s SER 3 Cb 0.22 0.72 0.00 0.00 0.10 0.00 0.00 66.02 67.06 2yua s SER 3 CO -0.04 -1.41 0.00 0.61 0.98 0.00 0.00 173.24 173.39 2yua n GLY 4 N -0.53 1.58 3.47 7.32 0.00 -1.26 -5.19 105.19 110.59 2yua n GLY 4 Ca -0.03 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 2yua n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yua s SER 5 N 0.00 -0.19 0.92 1.61 0.01 -1.26 -5.18 113.70 109.62 2yua s SER 5 Ca 0.00 -0.56 -0.13 0.00 1.31 0.00 0.00 55.95 56.56 2yua s SER 5 Cb 0.00 0.54 0.19 0.00 0.21 0.00 0.00 66.02 66.96 2yua s SER 5 CO 0.00 -1.01 1.27 -0.94 0.41 0.00 0.00 173.24 172.97 2yua s SER 6 N -2.89 3.30 0.00 2.44 1.04 -1.26 -5.10 113.70 111.22 2yua s SER 6 Ca 0.11 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.68 2yua s SER 6 Cb 0.00 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.89 2yua s SER 6 CO -0.02 -2.60 0.00 0.61 0.98 0.00 0.00 173.24 172.20 2yua n GLY 7 N -3.61 1.27 3.37 7.32 0.00 -1.26 -5.19 105.19 107.09 2yua n GLY 7 Ca 0.15 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 2yua n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yua s SER 8 N 0.00 0.02 1.14 1.61 1.04 -1.26 -5.16 113.70 111.09 2yua s SER 8 Ca 0.00 -0.91 -0.13 0.00 0.48 0.00 0.00 55.95 55.39 2yua s SER 8 Cb 0.00 0.46 0.27 0.00 0.10 0.00 0.00 66.02 66.85 2yua s SER 8 CO 0.00 -0.93 1.04 0.00 0.98 0.00 0.00 173.24 174.33 2yua s GLN 9 N -3.99 -0.71 0.00 4.02 -2.07 -1.26 -4.97 119.66 110.68 2yua s GLN 9 Ca 0.19 0.78 0.00 0.00 -1.82 0.00 0.00 55.36 54.52 2yua s GLN 9 Cb 0.03 -1.58 0.00 0.00 -1.09 0.00 0.00 33.01 30.37 2yua s GLN 9 CO 0.02 -3.57 0.00 0.41 -1.32 0.00 0.00 175.29 170.83 2yua n GLY 10 N 0.46 -0.74 3.23 2.60 0.00 -1.26 -5.15 105.19 104.33 2yua n GLY 10 Ca 0.03 0.64 -0.29 0.00 0.00 0.00 0.00 46.02 46.40 2yua n GLY 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2yua s ASP 11 N 2.00 2.69 0.03 1.61 -1.08 -1.26 -5.14 116.67 115.53 2yua s ASP 11 Ca 0.00 -0.44 0.01 0.00 -0.52 0.00 0.00 52.55 51.61 2yua s ASP 11 Cb 0.00 -0.62 -0.02 0.00 -1.46 0.00 0.00 42.92 40.81 2yua s ASP 11 CO 0.00 0.23 -0.06 0.00 0.52 0.00 0.00 175.17 175.86 2yua n SER 13 N 1.63 1.63 -4.53 0.00 2.88 -1.26 -5.01 113.62 108.95 2yua n SER 13 Ca -0.22 0.28 -0.31 0.00 -1.33 0.00 0.00 58.87 57.29 2yua n SER 13 Cb 0.55 -0.68 -0.11 0.00 -0.75 0.00 0.00 64.21 63.22 2yua n SER 13 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2yua s TYR 14 N -2.43 2.70 -0.44 0.66 -0.85 -1.26 -5.08 117.35 110.66 2yua s TYR 14 Ca -0.32 -0.17 -0.29 0.00 -0.52 0.00 0.00 57.07 55.77 2yua s TYR 14 Cb 0.12 -1.48 0.02 0.00 0.38 0.00 0.00 41.96 41.00 2yua s TYR 14 CO 0.41 0.35 1.31 -1.12 -1.52 0.00 0.00 175.55 174.98 2yua s SER 15 N -1.74 6.44 0.00 -0.18 0.01 -1.26 -4.76 113.70 112.21 2yua s SER 15 Ca 0.18 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.12 2yua s SER 15 Cb -0.11 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2yua s SER 15 CO 0.09 -1.37 0.00 -2.11 0.41 0.00 0.00 173.24 170.26 2yua n ARG 16 N 8.01 1.11 -0.48 12.44 -4.01 -1.26 -4.68 116.66 127.79 2yua n ARG 16 Ca 0.15 0.00 -0.06 0.00 -1.04 0.00 0.00 57.85 56.90 2yua n ARG 16 Cb 0.48 -0.91 0.11 0.00 -3.04 0.00 0.00 32.46 29.10 2yua n ARG 16 CO 0.00 0.00 0.00 0.25 -3.04 0.00 0.00 177.63 174.84 2yua n THR 17 N -1.25 1.69 -0.08 8.89 -2.24 -1.26 -4.19 114.28 115.84 2yua n THR 17 Ca 0.00 -0.74 -0.09 0.00 -2.27 0.00 0.00 64.05 60.94 2yua n THR 17 Cb 0.01 -0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 67.54 2yua n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yua h ALA 18 N 2.00 0.07 0.00 6.98 0.00 -1.98 -3.00 119.26 123.33 2yua h ALA 18 Ca 0.18 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2yua h ALA 18 Cb 1.58 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.86 2yua h ALA 18 CO 0.39 0.48 0.24 -0.07 0.00 0.00 0.00 179.25 180.29 2yua h LEU 19 N -1.00 0.00 0.00 0.00 3.38 -1.94 0.50 115.31 116.25 2yua h LEU 19 Ca -0.09 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 2yua h LEU 19 Cb 0.69 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2yua h LEU 19 CO -0.06 0.00 -1.92 -1.22 0.09 0.00 0.00 178.44 175.33 2yua n TYR 20 N -2.45 0.29 0.06 1.13 4.02 -1.26 -4.30 117.16 114.66 2yua n TYR 20 Ca -0.02 0.09 -0.22 0.00 -0.01 0.00 0.00 57.90 57.74 2yua n TYR 20 Cb 0.28 -0.82 -0.15 0.00 -0.02 0.00 0.00 39.34 38.63 2yua n TYR 20 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 2yua h ASP 21 N 0.00 0.56 -0.86 7.72 1.82 0.01 -0.66 116.42 125.02 2yua h ASP 21 Ca -0.21 -0.91 0.22 0.00 -0.39 0.00 0.00 57.03 55.74 2yua h ASP 21 Cb 1.52 -0.18 -0.05 0.00 0.68 0.00 0.00 39.33 41.30 2yua h ASP 21 CO 0.02 1.68 0.59 -0.07 -1.61 0.00 0.00 179.24 179.85 2yua h LEU 22 N -0.08 0.17 0.01 2.28 4.07 -0.96 -2.01 115.31 118.78 2yua h LEU 22 Ca -0.30 0.02 -0.38 0.00 0.08 0.00 0.00 57.88 57.30 2yua h LEU 22 Cb 1.95 -0.01 -0.07 0.00 1.08 0.00 0.00 40.66 43.61 2yua h LEU 22 CO 0.15 0.07 -2.39 0.18 -1.08 0.00 0.00 178.44 175.36 2yua n LEU 23 N -4.38 1.91 0.00 1.67 4.32 -1.25 -4.99 117.00 114.27 2yua n LEU 23 Ca 0.18 -0.05 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 2yua n LEU 23 Cb 0.81 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 2yua n LEU 23 CO 0.35 0.77 0.00 0.61 -1.22 0.00 0.00 177.39 177.90 2yua n GLY 24 N 2.05 0.98 3.90 -0.72 0.00 -0.34 -4.86 105.19 106.20 2yua n GLY 24 Ca -0.40 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 2yua n GLY 24 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2yua s VAL 25 N -2.00 5.13 1.19 1.61 -7.23 -0.67 -4.99 120.40 113.45 2yua s VAL 25 Ca 0.00 -0.03 -0.19 0.00 -1.81 0.00 0.00 61.98 59.95 2yua s VAL 25 Cb 0.00 -3.67 0.28 0.00 0.56 0.00 0.00 36.38 33.55 2yua s VAL 25 CO 0.00 -0.09 1.11 -2.16 -0.31 0.00 0.00 175.10 173.64 2yua s PRO 26 N -3.01 -1.16 0.17 4.82 0.04 -1.26 -4.58 135.00 130.02 2yua s PRO 26 Ca 0.41 -0.04 0.26 0.00 0.04 0.00 0.00 61.00 61.68 2yua s PRO 26 Cb -0.11 -1.60 0.77 0.00 0.04 0.00 0.00 34.50 33.60 2yua s PRO 26 CO 0.26 -3.68 1.71 -1.13 0.04 0.00 0.00 177.00 174.21 2yua n SER 27 N -4.74 0.70 -0.59 6.66 3.41 -1.26 -3.45 113.62 114.35 2yua n SER 27 Ca 0.13 0.47 0.05 0.00 -0.26 0.00 0.00 58.87 59.26 2yua n SER 27 Cb 0.59 -0.58 0.20 0.00 -0.26 0.00 0.00 64.21 64.16 2yua n SER 27 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2yua n THR 28 N -2.14 2.20 -0.61 6.66 5.66 -1.26 -5.05 114.28 119.74 2yua n THR 28 Ca 0.05 -2.91 -0.16 0.00 -3.05 0.00 0.00 64.05 57.98 2yua n THR 28 Cb 0.42 -0.25 0.14 0.00 -1.55 0.00 0.00 70.33 69.09 2yua n THR 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2yua n ALA 29 N -1.16 -2.12 -2.34 1.79 0.00 -1.22 -5.09 120.51 110.37 2yua n ALA 29 Ca 0.21 -0.86 -0.18 0.00 0.00 0.00 0.00 53.44 52.61 2yua n ALA 29 Cb 0.74 -0.06 -0.10 0.00 0.00 0.00 0.00 19.45 20.03 2yua n ALA 29 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2yua s THR 30 N -1.94 0.60 0.19 0.00 -1.32 -1.26 -4.98 115.64 106.94 2yua s THR 30 Ca 0.38 -2.00 -0.20 0.00 -1.21 0.00 0.00 61.69 58.65 2yua s THR 30 Cb -0.04 -2.63 0.14 0.00 -1.51 0.00 0.00 72.50 68.45 2yua s THR 30 CO 0.30 0.00 1.58 -0.61 -2.21 0.00 0.00 174.62 173.68 2yua h GLN 31 N 2.32 -0.14 -0.80 7.08 5.75 -1.95 0.98 115.11 128.35 2yua h GLN 31 Ca -0.38 0.01 0.14 0.00 -0.15 0.00 0.00 58.65 58.27 2yua h GLN 31 Cb 1.25 0.03 -0.14 0.00 1.07 0.00 0.00 27.48 29.69 2yua h GLN 31 CO 0.61 -0.09 -0.33 0.00 -2.65 0.00 0.00 178.83 176.37 2yua h ALA 32 N 1.04 0.16 0.08 3.38 0.00 -1.98 0.19 119.26 122.12 2yua h ALA 32 Ca 0.25 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 2yua h ALA 32 Cb 0.56 0.84 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2yua h ALA 32 CO -0.72 -0.60 -0.04 1.96 0.00 0.00 0.00 179.25 179.85 2yua h GLN 33 N -0.07 -0.10 -1.64 0.00 4.20 -1.48 0.14 115.11 116.16 2yua h GLN 33 Ca 0.31 0.01 0.48 0.00 0.06 0.00 0.00 58.65 59.51 2yua h GLN 33 Cb 0.58 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.31 2yua h GLN 33 CO -0.84 -0.07 1.18 -0.89 -0.67 0.00 0.00 178.83 177.54 2yua n ILE 34 N -2.43 -0.02 -0.07 2.54 5.41 0.16 0.18 119.36 125.13 2yua n ILE 34 Ca -0.01 1.29 -0.09 0.00 1.00 0.00 0.00 62.75 64.94 2yua n ILE 34 Cb 0.04 -2.14 -0.05 0.00 -0.71 0.00 0.00 39.64 36.78 2yua n ILE 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2yua h LYS 35 N 0.00 0.00 -1.03 0.38 3.64 -0.58 -3.22 116.57 115.77 2yua h LYS 35 Ca 0.80 0.00 0.25 0.00 -1.27 0.00 0.00 60.65 60.43 2yua h LYS 35 Cb 3.15 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 34.87 2yua h LYS 35 CO -0.04 0.39 0.64 0.00 -2.27 0.00 0.00 179.45 178.17 2yua h ALA 36 N -0.72 2.07 0.45 5.00 0.00 0.26 -2.28 119.26 124.05 2yua h ALA 36 Ca -0.08 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2yua h ALA 36 Cb 0.63 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2yua h ALA 36 CO -0.05 -0.49 -0.22 0.00 0.00 0.00 0.00 179.25 178.49 2yua h ALA 37 N 1.65 -0.89 -0.99 0.00 0.00 -0.94 -2.82 119.26 115.26 2yua h ALA 37 Ca 0.60 -0.13 0.39 0.00 0.00 0.00 0.00 54.91 55.77 2yua h ALA 37 Cb 1.38 0.24 -0.18 0.00 0.00 0.00 0.00 17.79 19.23 2yua h ALA 37 CO -0.35 -0.85 0.45 0.98 0.00 0.00 0.00 179.25 179.48 2yua n TYR 38 N -4.09 1.07 0.17 0.00 9.36 -0.90 0.41 117.16 123.18 2yua n TYR 38 Ca -0.08 1.17 -0.14 0.00 3.32 0.00 0.00 57.90 62.17 2yua n TYR 38 Cb 0.24 -1.51 -0.08 0.00 -0.63 0.00 0.00 39.34 37.36 2yua n TYR 38 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2yua h TYR 39 N 0.00 -0.35 -0.77 2.98 -1.99 -1.39 -2.79 116.97 112.67 2yua h TYR 39 Ca 0.80 -0.01 0.15 0.00 2.00 0.00 0.00 58.73 61.67 2yua h TYR 39 Cb 2.06 0.12 -0.10 0.00 2.00 0.00 0.00 36.73 40.80 2yua h TYR 39 CO -0.09 -0.19 0.30 0.00 -0.00 0.00 0.00 178.16 178.17 2yua h ARG 40 N -0.41 0.41 -0.43 4.88 3.08 0.22 -0.94 114.38 121.19 2yua h ARG 40 Ca -0.04 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.06 2yua h ARG 40 Cb 0.31 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.21 2yua h ARG 40 CO 0.06 0.27 0.06 1.96 -1.07 0.00 0.00 179.97 181.26 2yua h GLN 41 N 0.42 0.18 -0.90 0.04 1.08 -1.16 -0.96 115.11 113.81 2yua h GLN 41 Ca 0.43 -0.01 0.25 0.00 -1.45 0.00 0.00 58.65 57.87 2yua h GLN 41 Cb 0.67 -0.04 -0.15 0.00 -0.05 0.00 0.00 27.48 27.92 2yua h GLN 41 CO -0.43 0.12 0.27 0.00 -0.95 0.00 0.00 178.83 177.84 2yua h PHE 43 N 0.20 0.87 -0.93 0.00 3.04 -1.27 0.27 116.94 119.13 2yua h PHE 43 Ca 0.59 -0.43 0.13 0.00 3.98 0.00 0.00 57.97 62.24 2yua h PHE 43 Cb 1.22 -0.12 -0.07 0.00 2.56 0.00 0.00 35.95 39.54 2yua h PHE 43 CO -0.25 1.24 0.59 -0.07 -2.02 0.00 0.00 178.31 177.81 2yua h LEU 44 N 0.25 0.77 -4.54 0.59 3.38 0.56 -2.76 115.31 113.56 2yua h LEU 44 Ca -0.07 0.04 -0.43 0.00 0.09 0.00 0.00 57.88 57.50 2yua h LEU 44 Cb 1.40 -0.11 -0.42 0.00 0.09 0.00 0.00 40.66 41.62 2yua h LEU 44 CO 0.15 0.40 -0.95 -1.22 0.09 0.00 0.00 178.44 176.91 2yua n TYR 45 N -4.58 2.18 -1.52 1.13 4.02 0.02 -5.09 117.16 113.33 2yua n TYR 45 Ca 0.18 -2.37 -0.45 0.00 -0.01 0.00 0.00 57.90 55.24 2yua n TYR 45 Cb 0.41 -0.27 -0.02 0.00 -0.02 0.00 0.00 39.34 39.44 2yua n TYR 45 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 2yua n HIS 46 N -0.58 0.53 0.75 -0.72 -0.00 0.96 -4.81 115.22 111.35 2yua n HIS 46 Ca 0.28 0.78 0.07 0.00 0.46 0.00 0.00 57.72 59.30 2yua n HIS 46 Cb 0.86 -2.13 0.39 0.00 -0.12 0.00 0.00 29.99 28.99 2yua n HIS 46 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2yua n PRO 47 N 0.79 0.26 -0.09 1.57 -0.04 -1.26 -2.84 135.00 133.40 2yua n PRO 47 Ca 0.12 0.12 -0.16 0.00 -0.04 0.00 0.00 63.50 63.54 2yua n PRO 47 Cb 0.31 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.17 2yua n PRO 47 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2yua h ASP 48 N 0.00 0.00 -0.31 3.54 5.19 -1.95 -3.39 116.42 119.50 2yua h ASP 48 Ca 0.00 -0.54 -0.02 0.00 -0.62 0.00 0.00 57.03 55.85 2yua h ASP 48 Cb 0.11 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 2yua h ASP 48 CO 0.00 1.20 0.11 -0.09 -3.12 0.00 0.00 179.24 177.35 2yua h ARG 49 N -1.00 0.47 -4.79 3.56 1.12 -1.91 -3.35 114.38 108.48 2yua h ARG 49 Ca -0.19 -0.09 -0.72 0.00 -1.11 0.00 0.00 59.98 57.87 2yua h ARG 49 Cb 1.04 -0.07 -0.19 0.00 -0.01 0.00 0.00 29.97 30.74 2yua h ARG 49 CO -0.12 0.50 0.87 -0.80 -3.11 0.00 0.00 179.97 177.31 2yua s ASN 50 N -5.78 6.77 -0.07 -3.80 0.01 -1.13 -4.85 114.94 106.09 2yua s ASN 50 Ca -0.13 -2.39 -0.06 0.00 -0.71 0.00 0.00 52.86 49.57 2yua s ASN 50 Cb 0.09 -2.37 -0.03 0.00 0.41 0.00 0.00 41.25 39.34 2yua s ASN 50 CO 0.74 -0.91 0.25 -1.28 -1.51 0.00 0.00 177.10 174.38 2yua h SER 51 N 8.25 -0.18 -1.98 -1.22 0.87 -1.78 -3.41 113.55 114.10 2yua h SER 51 Ca 0.19 0.01 -0.54 0.00 -1.23 0.00 0.00 61.79 60.21 2yua h SER 51 Cb 0.98 0.05 -0.41 0.00 -0.44 0.00 0.00 62.40 62.58 2yua h SER 51 CO 1.10 0.28 -0.84 0.61 -0.53 0.00 0.00 176.83 177.46 2yua n GLY 52 N 1.23 4.86 3.61 5.77 0.00 -1.26 -5.09 105.19 114.30 2yua n GLY 52 Ca -0.03 -2.40 -0.29 0.00 0.00 0.00 0.00 46.02 43.31 2yua n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yua s SER 53 N -3.20 1.67 -0.16 1.61 0.01 -1.26 -5.02 113.70 107.34 2yua s SER 53 Ca 0.45 1.04 -0.05 0.00 1.31 0.00 0.00 55.95 58.70 2yua s SER 53 Cb 0.33 -1.60 -0.08 0.00 0.21 0.00 0.00 66.02 64.88 2yua s SER 53 CO -0.12 -3.71 -0.18 0.00 0.41 0.00 0.00 173.24 169.64 2yua n ALA 54 N -4.54 1.85 -0.13 1.44 0.00 -1.26 -4.73 120.51 113.14 2yua n ALA 54 Ca 0.07 -0.65 -0.27 0.00 0.00 0.00 0.00 53.44 52.59 2yua n ALA 54 Cb 0.58 0.24 -0.11 0.00 0.00 0.00 0.00 19.45 20.16 2yua n ALA 54 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2yua n GLU 55 N -3.44 0.60 -0.27 0.00 1.02 -1.26 -4.51 120.64 112.78 2yua n GLU 55 Ca -0.30 0.27 0.04 0.00 -0.02 0.00 0.00 57.16 57.14 2yua n GLU 55 Cb 0.75 -1.52 0.09 0.00 -0.02 0.00 0.00 31.44 30.74 2yua n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yua n ALA 56 N -4.01 0.14 -0.40 0.62 0.00 -1.26 -0.01 120.51 115.59 2yua n ALA 56 Ca -0.51 0.80 -0.09 0.00 0.00 0.00 0.00 53.44 53.63 2yua n ALA 56 Cb 0.89 -0.46 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 2yua n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yua n ALA 57 N -3.71 -0.54 0.05 0.00 0.00 -1.26 -0.50 120.51 114.55 2yua n ALA 57 Ca 0.11 0.84 -0.04 0.00 0.00 0.00 0.00 53.44 54.35 2yua n ALA 57 Cb 0.36 -0.18 -0.02 0.00 0.00 0.00 0.00 19.45 19.61 2yua n ALA 57 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2yua h GLU 58 N 0.00 -0.20 -0.92 0.00 4.39 -0.70 -2.50 114.58 114.65 2yua h GLU 58 Ca 0.18 0.01 0.13 0.00 0.34 0.00 0.00 59.36 60.03 2yua h GLU 58 Cb 0.42 0.04 -0.14 0.00 -0.10 0.00 0.00 28.75 28.97 2yua h GLU 58 CO -0.91 -0.13 -0.39 -2.13 -1.16 0.00 0.00 179.01 174.29 2yua n ARG 59 N -3.03 -0.25 -0.26 2.33 3.00 -0.81 0.64 116.66 118.29 2yua n ARG 59 Ca -0.02 1.41 0.04 0.00 -0.00 0.00 0.00 57.85 59.28 2yua n ARG 59 Cb 0.10 -2.09 0.14 0.00 0.00 0.00 0.00 32.46 30.61 2yua n ARG 59 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 2yua h PHE 60 N 0.00 -0.16 -0.88 -0.14 3.57 -0.58 0.30 116.94 119.04 2yua h PHE 60 Ca 0.29 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.85 2yua h PHE 60 Cb 0.52 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 2yua h PHE 60 CO -0.83 -0.28 0.55 1.15 -2.23 0.00 0.00 178.31 176.68 2yua h THR 61 N 0.06 1.24 -0.03 4.41 2.02 0.65 -2.85 112.91 118.42 2yua h THR 61 Ca 0.40 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 2yua h THR 61 Cb 0.69 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2yua h THR 61 CO -0.71 0.24 0.01 0.03 0.37 0.00 0.00 175.52 175.46 2yua h ARG 62 N 1.20 0.04 -0.65 6.66 3.08 0.37 -3.13 114.38 121.95 2yua h ARG 62 Ca 0.32 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.46 2yua h ARG 62 Cb -0.08 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 29.85 2yua h ARG 62 CO -0.06 0.16 -0.44 0.82 -1.07 0.00 0.00 179.97 179.38 2yua h ILE 63 N -0.09 0.07 -1.00 2.04 2.04 -0.76 0.33 117.51 120.14 2yua h ILE 63 Ca 0.01 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.15 2yua h ILE 63 Cb 0.14 0.07 -0.14 0.00 -0.74 0.00 0.00 36.82 36.15 2yua h ILE 63 CO -0.00 0.00 0.58 0.77 0.00 0.00 0.00 178.15 179.50 2yua h SER 64 N -0.19 0.60 -0.51 1.72 4.64 -1.48 0.26 113.55 118.58 2yua h SER 64 Ca 0.20 0.16 0.02 0.00 -0.47 0.00 0.00 61.79 61.70 2yua h SER 64 Cb 0.56 0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.70 2yua h SER 64 CO -0.74 -0.01 0.31 1.56 -0.87 0.00 0.00 176.83 177.08 2yua h GLN 65 N 0.46 0.60 -0.39 4.77 4.20 -0.34 -1.69 115.11 122.72 2yua h GLN 65 Ca 0.69 -0.04 0.07 0.00 0.06 0.00 0.00 58.65 59.43 2yua h GLN 65 Cb 1.44 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 29.06 2yua h GLN 65 CO -0.54 0.40 0.27 0.00 -0.67 0.00 0.00 178.83 178.29 2yua h ALA 66 N 1.22 2.07 -0.15 3.87 0.00 -0.16 0.12 119.26 126.24 2yua h ALA 66 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2yua h ALA 66 Cb 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2yua h ALA 66 CO -0.09 -0.15 0.00 0.98 0.00 0.00 0.00 179.25 179.99 2yua n TYR 67 N -4.47 0.48 0.00 0.00 9.36 -0.64 -3.42 117.16 118.48 2yua n TYR 67 Ca 0.05 -0.17 -0.01 0.00 3.32 0.00 0.00 57.90 61.09 2yua n TYR 67 Cb 0.30 -0.17 -0.00 0.00 -0.63 0.00 0.00 39.34 38.84 2yua n TYR 67 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2yua n VAL 68 N 0.14 0.45 0.18 2.97 0.31 0.43 -3.58 118.33 119.22 2yua n VAL 68 Ca 0.07 0.21 0.12 0.00 -0.01 0.00 0.00 64.34 64.73 2yua n VAL 68 Cb 0.43 -1.37 0.67 0.00 -0.91 0.00 0.00 33.84 32.66 2yua n VAL 68 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2yua h VAL 69 N -0.10 0.88 0.00 2.52 2.07 -1.70 -2.26 116.25 117.67 2yua h VAL 69 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 2yua h VAL 69 Cb 0.10 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2yua h VAL 69 CO 0.00 0.00 -1.92 0.18 0.02 0.00 0.00 177.57 175.85 2yua n LEU 70 N -4.44 0.00 -0.25 2.57 4.77 -1.22 -0.95 117.00 117.48 2yua n LEU 70 Ca 0.01 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.00 2yua n LEU 70 Cb 0.26 0.11 0.08 0.00 -2.33 0.00 0.00 43.42 41.54 2yua n LEU 70 CO 0.35 0.11 0.71 1.23 -1.33 0.00 0.00 177.39 178.46 2yua h GLY 71 N 3.32 0.48 -7.25 -0.72 0.00 -1.46 -3.36 103.07 94.09 2yua h GLY 71 Ca -0.12 0.25 -0.65 0.00 0.00 0.00 0.00 47.33 46.81 2yua h GLY 71 CO 0.01 -0.27 -0.15 -0.56 0.00 0.00 0.00 176.54 175.57 2yua s SER 72 N -5.24 6.27 0.21 0.19 0.01 -1.23 -4.96 113.70 108.95 2yua s SER 72 Ca -0.14 -0.08 -0.08 0.00 1.31 0.00 0.00 55.95 56.96 2yua s SER 72 Cb 0.21 -2.24 0.33 0.00 0.21 0.00 0.00 66.02 64.53 2yua s SER 72 CO 0.74 -0.41 1.25 0.00 0.41 0.00 0.00 173.24 175.23 2yua n ALA 73 N 5.58 0.12 -0.01 1.44 0.00 -1.26 -0.87 120.51 125.52 2yua n ALA 73 Ca -0.07 0.86 -0.05 0.00 0.00 0.00 0.00 53.44 54.19 2yua n ALA 73 Cb 0.49 -0.49 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2yua n ALA 73 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2yua h THR 74 N 0.00 0.00 -0.73 0.00 2.02 -1.92 -2.32 112.91 109.95 2yua h THR 74 Ca 0.36 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.61 2yua h THR 74 Cb 0.56 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.87 2yua h THR 74 CO -0.82 0.00 -0.52 -0.07 0.37 0.00 0.00 175.52 174.48 2yua h LEU 75 N -0.18 -1.86 -0.89 2.58 3.38 -1.23 0.24 115.31 117.35 2yua h LEU 75 Ca 0.01 0.27 0.15 0.00 0.09 0.00 0.00 57.88 58.40 2yua h LEU 75 Cb 0.21 0.80 -0.15 0.00 0.09 0.00 0.00 40.66 41.62 2yua h LEU 75 CO -0.15 -0.25 -0.31 -1.14 0.09 0.00 0.00 178.44 176.68 2yua n ARG 76 N -5.04 -0.17 -0.03 1.13 0.63 -0.12 0.10 116.66 113.16 2yua n ARG 76 Ca 0.00 1.37 -0.12 0.00 -0.92 0.00 0.00 57.85 58.18 2yua n ARG 76 Cb 0.25 -2.04 -0.07 0.00 0.45 0.00 0.00 32.46 31.05 2yua n ARG 76 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2yua h ARG 77 N 0.00 0.19 -0.91 -0.14 3.08 -0.35 -3.02 114.38 113.23 2yua h ARG 77 Ca 0.35 -0.07 0.26 0.00 0.07 0.00 0.00 59.98 60.59 2yua h ARG 77 Cb 0.57 -0.01 -0.15 0.00 0.08 0.00 0.00 29.97 30.45 2yua h ARG 77 CO -0.89 0.47 0.25 0.87 -1.07 0.00 0.00 179.97 179.59 2yua h LYS 78 N -0.10 0.16 0.01 0.04 1.57 0.28 0.13 116.57 118.65 2yua h LYS 78 Ca 0.03 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2yua h LYS 78 Cb 0.39 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2yua h LYS 78 CO 0.01 0.11 -0.00 -0.92 -0.57 0.00 0.00 179.45 178.07 2yua h TYR 79 N 0.17 -0.01 -1.13 -1.35 3.20 -1.06 1.02 116.97 117.80 2yua h TYR 79 Ca 0.59 -0.00 0.32 0.00 3.14 0.00 0.00 58.73 62.79 2yua h TYR 79 Cb 1.26 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 39.43 2yua h TYR 79 CO -0.27 0.16 0.73 -0.44 -1.64 0.00 0.00 178.16 176.70 2yua h ASP 80 N -0.18 0.36 0.34 -2.11 3.32 -0.64 0.40 116.42 117.92 2yua h ASP 80 Ca -0.00 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2yua h ASP 80 Cb 0.17 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 2yua h ASP 80 CO 0.00 -0.00 -1.69 0.54 -1.72 0.00 0.00 179.24 176.37 2yua n ARG 81 N -4.63 0.64 -0.26 3.56 5.12 -0.91 -4.98 116.66 115.19 2yua n ARG 81 Ca 0.29 -0.07 0.00 0.00 -1.93 0.00 0.00 57.85 56.14 2yua n ARG 81 Cb 1.06 -1.63 0.00 0.00 -1.16 0.00 0.00 32.46 30.74 2yua n ARG 81 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2yua n GLY 82 N 1.26 0.86 0.19 -0.13 0.00 0.28 -4.95 105.19 102.71 2yua n GLY 82 Ca -0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.12 2yua n GLY 82 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2yua h LEU 83 N 0.00 0.00 -9.31 0.99 3.38 0.37 -3.44 115.31 107.30 2yua h LEU 83 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 2yua h LEU 83 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2yua h LEU 83 CO 0.00 0.00 0.86 -0.22 0.09 0.00 0.00 178.44 179.17 2yua s LEU 84 N -5.28 4.28 0.17 1.67 2.96 -1.13 -4.95 118.68 116.40 2yua s LEU 84 Ca 0.04 2.00 0.04 0.00 -0.22 0.00 0.00 54.13 55.99 2yua s LEU 84 Cb 0.09 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 2yua s LEU 84 CO 0.50 -0.73 0.22 -0.44 -1.32 0.00 0.00 176.35 174.57 2yua s SER 85 N 2.03 5.93 0.39 3.68 0.01 -1.26 -4.92 113.70 119.55 2yua s SER 85 Ca 0.62 0.01 0.18 0.00 1.31 0.00 0.00 55.95 58.07 2yua s SER 85 Cb -0.29 -1.67 1.10 0.00 0.21 0.00 0.00 66.02 65.37 2yua s SER 85 CO 0.24 0.05 1.75 0.44 0.41 0.00 0.00 173.24 176.13 2yua h ASP 86 N 2.18 0.47 -0.47 2.44 3.32 -1.99 0.58 116.42 122.94 2yua h ASP 86 Ca -0.48 0.10 0.08 0.00 0.02 0.00 0.00 57.03 56.75 2yua h ASP 86 Cb 1.20 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.75 2yua h ASP 86 CO 0.65 0.06 0.32 -0.33 -1.72 0.00 0.00 179.24 178.22 2yua h GLU 87 N 0.39 0.28 0.06 3.56 5.08 -1.97 -1.28 114.58 120.70 2yua h GLU 87 Ca 0.63 -0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 58.70 2yua h GLU 87 Cb 1.56 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 30.77 2yua h GLU 87 CO -0.34 0.19 -1.11 -0.44 -1.00 0.00 0.00 179.01 176.30 2yua h ASP 88 N 0.29 0.78 0.06 1.42 5.19 -0.22 -0.50 116.42 123.44 2yua h ASP 88 Ca 0.21 -0.68 -0.00 0.00 -0.62 0.00 0.00 57.03 55.94 2yua h ASP 88 Cb 0.47 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.74 2yua h ASP 88 CO -0.05 1.48 -0.03 -0.07 -3.12 0.00 0.00 179.24 177.46 2yua h LEU 89 N 0.29 -0.06 -0.09 1.55 3.38 -0.95 -3.14 115.31 116.29 2yua h LEU 89 Ca -0.14 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.66 2yua h LEU 89 Cb 1.78 0.02 0.01 0.00 0.09 0.00 0.00 40.66 42.55 2yua h LEU 89 CO 0.21 -0.03 -0.53 0.08 0.09 0.00 0.00 178.44 178.26 2yua h ARG 90 N -0.10 0.52 0.00 1.13 0.11 -1.44 -3.48 114.38 111.13 2yua h ARG 90 Ca -0.01 -0.44 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2yua h ARG 90 Cb 0.08 0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.25 2yua h ARG 90 CO 0.01 1.07 0.00 0.41 0.10 0.00 0.00 179.97 181.56 2yua n GLY 91 N 0.75 -0.22 3.55 0.08 0.00 -0.20 -4.83 105.19 104.33 2yua n GLY 91 Ca -0.08 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 2yua n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yua s PRO 92 N -3.76 2.59 0.00 1.61 0.04 -1.26 -4.89 135.00 129.33 2yua s PRO 92 Ca 0.00 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.31 2yua s PRO 92 Cb 0.00 -4.65 0.00 0.00 0.04 0.00 0.00 34.50 29.89 2yua s PRO 92 CO 0.00 -2.99 0.27 0.41 0.04 0.00 0.00 177.00 174.73 2yua n GLY 93 N 6.14 -0.92 3.67 0.56 0.00 -1.26 -4.96 105.19 108.42 2yua n GLY 93 Ca 0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 2yua n GLY 93 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yua s SER 94 N -1.58 4.30 0.00 1.61 1.04 -1.26 -5.14 113.70 112.67 2yua s SER 94 Ca 0.00 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.44 2yua s SER 94 Cb 0.00 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.57 2yua s SER 94 CO 0.00 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.51 2yua n GLY 95 N -1.05 3.59 3.55 7.32 0.00 -1.26 -5.09 105.19 112.26 2yua n GLY 95 Ca -0.03 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 2yua n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yua s PRO 96 N 0.81 2.59 0.30 1.61 0.04 -1.26 -4.97 135.00 134.12 2yua s PRO 96 Ca 0.00 0.22 -0.01 0.00 0.04 0.00 0.00 61.00 61.24 2yua s PRO 96 Cb 0.00 -4.68 -0.04 0.00 0.04 0.00 0.00 34.50 29.82 2yua s PRO 96 CO 0.00 -3.02 0.52 -1.54 0.04 0.00 0.00 177.00 173.00 2yua s SER 97 N 8.08 6.36 -0.70 6.66 1.04 -1.26 -5.01 113.70 128.87 2yua s SER 97 Ca 0.68 0.52 -0.26 0.00 0.48 0.00 0.00 55.95 57.38 2yua s SER 97 Cb -0.10 -2.06 -0.01 0.00 0.10 0.00 0.00 66.02 63.95 2yua s SER 97 CO 0.11 -0.22 1.74 -0.44 0.98 0.00 0.00 173.24 175.42 2yua s SER 98 N -3.59 5.49 0.00 7.02 0.01 -1.26 -5.33 113.70 116.03 2yua s SER 98 Ca 0.41 -0.06 0.28 0.00 1.31 0.00 0.00 55.95 57.89 2yua s SER 98 Cb -0.10 -2.54 1.05 0.00 0.21 0.00 0.00 66.02 64.63 2yua s SER 98 CO 0.33 -2.29 1.74 0.61 0.41 0.00 0.00 173.24 174.05