#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gln h LEU 3 N 0.00 0.51 -0.36 0.99 5.85 -2.02 -1.33 115.31 118.95 2gln h LEU 3 Ca 0.00 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2gln h LEU 3 Cb 0.00 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2gln h LEU 3 CO 0.00 0.22 0.22 -0.07 -0.34 0.00 0.00 178.44 178.46 2gln h LEU 4 N 0.61 0.36 -0.99 2.25 3.38 -2.02 0.39 115.31 119.29 2gln h LEU 4 Ca 0.45 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.35 2gln h LEU 4 Cb 0.64 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2gln h LEU 4 CO -0.36 0.26 -0.09 -1.28 0.09 0.00 0.00 178.44 177.06 2gln h SER 5 N 0.44 0.61 -0.32 -0.43 0.87 -1.89 -1.75 113.55 111.08 2gln h SER 5 Ca 0.14 -0.16 -0.14 0.00 -1.23 0.00 0.00 61.79 60.40 2gln h SER 5 Cb -0.01 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.78 2gln h SER 5 CO -0.06 0.74 -0.35 0.03 -0.53 0.00 0.00 176.83 176.66 2gln h ARG 6 N 0.58 0.80 -0.82 2.24 3.08 -0.35 -2.75 114.38 117.16 2gln h ARG 6 Ca 0.11 -0.44 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 2gln h ARG 6 Cb 0.50 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 2gln h ARG 6 CO 0.03 1.07 0.46 -0.07 -1.07 0.00 0.00 179.97 180.38 2gln h LEU 7 N 0.57 1.02 -2.37 3.04 3.38 -0.08 -1.29 115.31 119.58 2gln h LEU 7 Ca 0.05 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2gln h LEU 7 Cb 0.94 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 2gln h LEU 7 CO 0.09 0.82 -0.03 0.03 0.09 0.00 0.00 178.44 179.44 2gln h ARG 8 N 1.14 0.00 -0.39 1.13 3.08 -1.14 -0.11 114.38 118.09 2gln h ARG 8 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2gln h ARG 8 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2gln h ARG 8 CO -0.05 0.03 0.00 1.63 -1.07 0.00 0.00 179.97 180.51 2gln n LYS 9 N -3.71 1.97 -1.98 0.04 4.76 -0.81 -4.92 118.16 113.50 2gln n LYS 9 Ca -0.03 -1.50 -0.18 0.00 -2.87 0.00 0.00 58.31 53.73 2gln n LYS 9 Cb 0.12 -1.35 -0.04 0.00 -1.84 0.00 0.00 35.03 31.92 2gln n LYS 9 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2gln n ARG 10 N 0.71 -1.63 -2.41 1.97 5.12 -0.05 -4.99 116.66 115.38 2gln n ARG 10 Ca 0.15 0.98 -0.39 0.00 -1.93 0.00 0.00 57.85 56.66 2gln n ARG 10 Cb 0.36 -5.48 -0.04 0.00 -1.16 0.00 0.00 32.46 26.15 2gln n ARG 10 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2gln s GLU 11 N -4.32 4.43 0.59 5.56 2.02 -0.55 -5.01 118.70 121.43 2gln s GLU 11 Ca 0.00 1.82 -0.15 0.00 0.02 0.00 0.00 54.97 56.66 2gln s GLU 11 Cb 0.00 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 31.20 2gln s GLU 11 CO 0.00 0.02 1.04 -1.25 0.02 0.00 0.00 175.26 175.09 2gln s PRO 12 N -1.79 3.43 -0.08 0.39 0.04 -1.26 -4.44 135.00 131.29 2gln s PRO 12 Ca 0.49 1.07 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 2gln s PRO 12 Cb -0.31 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 2gln s PRO 12 CO 0.40 -0.71 1.35 0.42 0.04 0.00 0.00 177.00 178.50 2gln s ILE 13 N -2.65 3.99 0.63 0.56 1.01 -1.26 -5.01 121.20 118.47 2gln s ILE 13 Ca 0.61 1.28 -0.06 0.00 0.00 0.00 0.00 60.65 62.48 2gln s ILE 13 Cb -0.14 -3.83 0.02 0.00 0.01 0.00 0.00 42.46 38.53 2gln s ILE 13 CO 0.40 -0.06 0.94 -0.94 0.00 0.00 0.00 174.94 175.28 2gln s SER 14 N 2.06 5.35 0.17 3.58 1.04 -1.26 -4.91 113.70 119.74 2gln s SER 14 Ca 0.61 0.64 -0.15 0.00 0.48 0.00 0.00 55.95 57.52 2gln s SER 14 Cb -0.27 -1.52 0.12 0.00 0.10 0.00 0.00 66.02 64.45 2gln s SER 14 CO 0.22 -1.23 1.70 0.40 0.98 0.00 0.00 173.24 175.31 2gln h ILE 15 N -0.31 0.72 -0.80 -1.02 2.04 -1.91 -0.18 117.51 116.05 2gln h ILE 15 Ca -0.45 -0.05 0.13 0.00 1.00 0.00 0.00 64.86 65.50 2gln h ILE 15 Cb 1.27 0.57 -0.14 0.00 -0.74 0.00 0.00 36.82 37.79 2gln h ILE 15 CO 0.60 0.03 -0.35 0.22 0.00 0.00 0.00 178.15 178.65 2gln h TYR 16 N 0.14 -0.95 -0.05 1.37 3.20 -1.43 -0.83 116.97 118.41 2gln h TYR 16 Ca 0.20 0.09 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 2gln h TYR 16 Cb 0.27 0.53 -0.00 0.00 1.54 0.00 0.00 36.73 39.08 2gln h TYR 16 CO -0.25 -0.39 0.03 -0.44 -1.64 0.00 0.00 178.16 175.47 2gln h ASP 17 N -0.07 0.06 -0.80 -2.11 3.32 -1.65 0.30 116.42 115.47 2gln h ASP 17 Ca 0.30 -0.03 0.16 0.00 0.02 0.00 0.00 57.03 57.47 2gln h ASP 17 Cb 0.58 -0.01 -0.10 0.00 0.22 0.00 0.00 39.33 40.01 2gln h ASP 17 CO -0.84 0.07 0.34 0.11 -1.72 0.00 0.00 179.24 177.20 2gln h LYS 18 N 0.04 0.45 -0.01 3.56 1.57 -0.21 -2.62 116.57 119.35 2gln h LYS 18 Ca 0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2gln h LYS 18 Cb 0.03 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2gln h LYS 18 CO -0.00 0.30 -0.21 0.44 -0.57 0.00 0.00 179.45 179.41 2gln n ILE 19 N -4.99 0.00 0.00 1.86 -5.35 -0.40 -4.93 119.36 105.56 2gln n ILE 19 Ca 0.16 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2gln n ILE 19 Cb 0.46 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.82 2gln n ILE 19 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gln n GLY 20 N 1.31 1.56 7.00 3.28 0.00 -0.98 -4.74 105.19 112.61 2gln n GLY 20 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2gln n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gln n GLY 21 N -0.70 0.29 0.21 -0.02 0.00 0.10 -3.64 105.19 101.44 2gln n GLY 21 Ca 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 46.02 45.08 2gln n GLY 21 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2gln h HIS 22 N 0.00 0.08 -0.82 1.61 2.76 -1.97 -1.07 115.15 115.74 2gln h HIS 22 Ca 0.00 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.24 2gln h HIS 22 Cb 0.00 0.04 -0.05 0.00 1.55 0.00 0.00 27.41 28.96 2gln h HIS 22 CO 0.00 -0.06 0.54 1.05 -1.30 0.00 0.00 177.93 178.15 2gln h GLU 23 N 0.18 0.99 -0.33 5.26 4.11 -1.99 -1.03 114.58 121.77 2gln h GLU 23 Ca 0.27 -0.06 -0.16 0.00 0.07 0.00 0.00 59.36 59.48 2gln h GLU 23 Cb 0.39 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2gln h GLU 23 CO -0.39 0.65 -0.42 0.00 0.07 0.00 0.00 179.01 178.92 2gln h ALA 24 N 1.52 0.64 -0.34 1.06 0.00 -1.32 -2.71 119.26 118.11 2gln h ALA 24 Ca 0.32 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2gln h ALA 24 Cb 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2gln h ALA 24 CO -0.09 0.67 0.18 0.82 0.00 0.00 0.00 179.25 180.83 2gln h ILE 25 N 0.66 1.14 -0.62 0.00 1.08 -0.64 -1.84 117.51 117.29 2gln h ILE 25 Ca 0.05 -0.36 0.07 0.00 -0.39 0.00 0.00 64.86 64.23 2gln h ILE 25 Cb 0.99 0.77 -0.06 0.00 -3.07 0.00 0.00 36.82 35.45 2gln h ILE 25 CO 0.10 0.14 0.29 -0.33 -0.69 0.00 0.00 178.15 177.66 2gln h GLU 26 N 0.42 0.52 -0.51 2.37 5.08 -1.16 0.91 114.58 122.20 2gln h GLU 26 Ca 0.12 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 2gln h GLU 26 Cb 0.06 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2gln h GLU 26 CO -0.02 0.34 0.07 0.28 -1.00 0.00 0.00 179.01 178.69 2gln h VAL 27 N 0.53 1.25 -0.26 3.13 2.07 -1.34 -1.52 116.25 120.11 2gln h VAL 27 Ca 0.29 -0.96 -0.09 0.00 0.82 0.00 0.00 66.70 66.76 2gln h VAL 27 Cb 0.27 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2gln h VAL 27 CO -0.23 0.34 -0.20 0.58 0.02 0.00 0.00 177.57 178.08 2gln h VAL 28 N 0.74 1.31 -0.46 2.57 2.07 -0.95 -2.19 116.25 119.34 2gln h VAL 28 Ca 0.15 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.28 2gln h VAL 28 Cb 0.41 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2gln h VAL 28 CO 0.01 0.42 0.11 0.58 0.02 0.00 0.00 177.57 178.71 2gln h VAL 29 N 0.33 1.24 -0.22 2.57 2.07 -0.80 0.32 116.25 121.76 2gln h VAL 29 Ca 0.05 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 66.77 2gln h VAL 29 Cb 0.75 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2gln h VAL 29 CO 0.05 0.30 0.02 -0.08 0.02 0.00 0.00 177.57 177.88 2gln h GLU 30 N 0.62 0.10 -0.49 1.57 4.57 -1.24 -1.64 114.58 118.06 2gln h GLU 30 Ca 0.14 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.22 2gln h GLU 30 Cb 0.33 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 2gln h GLU 30 CO 0.00 0.07 -0.09 0.22 -1.18 0.00 0.00 179.01 178.03 2gln h ASP 31 N 0.10 0.88 -0.32 1.04 -0.00 -1.26 -2.59 116.42 114.29 2gln h ASP 31 Ca 0.10 -0.27 0.07 0.00 -0.00 0.00 0.00 57.03 56.93 2gln h ASP 31 Cb 0.11 -0.24 -0.07 0.00 -0.00 0.00 0.00 39.33 39.13 2gln h ASP 31 CO -0.15 1.00 -0.13 0.15 -0.00 0.00 0.00 179.24 180.11 2gln h PHE 32 N 0.81 -0.30 -0.04 0.28 3.57 -0.50 -1.94 116.94 118.81 2gln h PHE 32 Ca 0.14 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.52 2gln h PHE 32 Cb 0.61 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 2gln h PHE 32 CO 0.04 -0.20 -0.64 1.88 -2.23 0.00 0.00 178.31 177.16 2gln h TYR 33 N -0.07 0.22 -0.13 0.41 -1.99 -1.18 -1.06 116.97 113.17 2gln h TYR 33 Ca 0.16 -0.09 0.05 0.00 2.00 0.00 0.00 58.73 60.85 2gln h TYR 33 Cb 0.31 -0.04 -0.06 0.00 2.00 0.00 0.00 36.73 38.95 2gln h TYR 33 CO -0.34 0.76 -0.27 0.28 -0.00 0.00 0.00 178.16 178.59 2gln h VAL 34 N 0.12 0.37 -0.26 -2.88 2.07 -1.22 -0.89 116.25 113.56 2gln h VAL 34 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2gln h VAL 34 Cb 1.15 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2gln h VAL 34 CO 0.09 0.00 0.17 0.03 0.02 0.00 0.00 177.57 177.88 2gln h ARG 35 N -0.34 0.33 0.01 1.57 3.08 -1.06 -1.72 114.38 116.25 2gln h ARG 35 Ca 0.10 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 2gln h ARG 35 Cb 0.49 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2gln h ARG 35 CO -0.32 0.22 -0.01 0.28 -1.07 0.00 0.00 179.97 179.07 2gln h VAL 36 N 0.34 1.09 0.00 2.04 2.07 -1.13 -2.59 116.25 118.07 2gln h VAL 36 Ca 0.09 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2gln h VAL 36 Cb -0.03 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2gln h VAL 36 CO -0.02 0.08 -0.06 -0.07 0.02 0.00 0.00 177.57 177.52 2gln h LEU 37 N -0.15 0.00 -0.03 2.57 3.38 -1.14 -2.16 115.31 117.78 2gln h LEU 37 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gln h LEU 37 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2gln h LEU 37 CO 0.00 0.06 -0.15 0.00 0.09 0.00 0.00 178.44 178.44 2gln n ALA 38 N -2.15 2.73 -2.55 1.53 0.00 -0.65 -4.58 120.51 114.84 2gln n ALA 38 Ca -0.01 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 2gln n ALA 38 Cb 0.27 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.29 2gln n ALA 38 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2gln s ASP 39 N -2.89 6.36 0.13 0.00 -1.08 -0.81 -4.94 116.67 113.44 2gln s ASP 39 Ca 0.16 -0.08 0.17 0.00 -0.52 0.00 0.00 52.55 52.29 2gln s ASP 39 Cb 0.19 -2.31 0.73 0.00 -1.46 0.00 0.00 42.92 40.07 2gln s ASP 39 CO 0.56 -0.64 1.52 0.47 0.52 0.00 0.00 175.17 177.60 2gln n ASP 40 N 6.07 0.30 0.21 -0.34 8.00 -1.26 -0.45 116.55 129.08 2gln n ASP 40 Ca -0.02 0.59 0.12 0.00 0.71 0.00 0.00 54.79 56.19 2gln n ASP 40 Cb 0.48 -0.65 0.21 0.00 -0.02 0.00 0.00 41.12 41.15 2gln n ASP 40 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2gln h GLN 41 N 0.00 0.00 0.00 -1.24 4.20 -1.92 -3.41 115.11 112.74 2gln h GLN 41 Ca 0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 2gln h GLN 41 Cb 0.24 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2gln h GLN 41 CO 0.00 0.00 -1.32 1.28 -0.67 0.00 0.00 178.83 178.12 2gln n LEU 42 N -2.99 0.37 -0.30 1.46 4.77 0.41 -4.82 117.00 115.89 2gln n LEU 42 Ca 0.04 -0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.06 2gln n LEU 42 Cb 0.51 0.08 0.25 0.00 -2.33 0.00 0.00 43.42 41.93 2gln n LEU 42 CO 0.33 0.18 1.25 0.77 -1.33 0.00 0.00 177.39 178.59 2gln h SER 43 N 0.00 0.89 -0.02 -1.43 4.64 -1.23 -2.29 113.55 114.11 2gln h SER 43 Ca -0.13 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.21 2gln h SER 43 Cb 1.28 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2gln h SER 43 CO 0.00 0.57 0.02 0.00 -0.87 0.00 0.00 176.83 176.55 2gln h ALA 44 N 1.52 1.88 -0.09 5.18 0.00 -1.86 -1.20 119.26 124.69 2gln h ALA 44 Ca 0.39 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.33 2gln h ALA 44 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2gln h ALA 44 CO -0.15 -0.03 0.10 0.74 0.00 0.00 0.00 179.25 179.91 2gln h PHE 45 N 0.00 0.00 -0.44 0.00 -1.00 -1.76 -2.15 116.94 111.58 2gln h PHE 45 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 2gln h PHE 45 Cb 0.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.61 2gln h PHE 45 CO 0.00 0.00 0.00 1.19 -1.61 0.00 0.00 178.31 177.89 2gln n PHE 46 N -3.84 0.58 -0.24 -0.55 3.01 -0.46 -4.58 117.46 111.39 2gln n PHE 46 Ca -0.01 -0.35 0.02 0.00 1.01 0.00 0.00 57.45 58.12 2gln n PHE 46 Cb 0.20 -0.01 0.14 0.00 -0.01 0.00 0.00 39.48 39.81 2gln n PHE 46 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2gln h SER 47 N 3.74 0.36 -0.18 4.37 0.87 -1.39 -0.96 113.55 120.36 2gln h SER 47 Ca 0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2gln h SER 47 Cb 0.89 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2gln h SER 47 CO 0.00 0.19 0.00 0.61 -0.53 0.00 0.00 176.83 177.10 2gln n GLY 48 N -1.31 0.09 3.77 5.77 0.00 -1.26 -4.95 105.19 107.30 2gln n GLY 48 Ca 0.11 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 2gln n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gln s THR 49 N -1.76 5.23 -0.71 2.61 2.01 -0.37 -5.01 115.64 117.64 2gln s THR 49 Ca 0.26 0.66 -0.26 0.00 0.31 0.00 0.00 61.69 62.66 2gln s THR 49 Cb 0.14 -3.66 -0.00 0.00 0.01 0.00 0.00 72.50 68.99 2gln s THR 49 CO 0.20 0.46 1.64 0.21 -0.69 0.00 0.00 174.62 176.44 2gln s ASN 50 N -0.10 5.65 0.34 3.53 3.84 -1.26 -4.86 114.94 122.08 2gln s ASN 50 Ca 0.20 -0.16 0.05 0.00 0.21 0.00 0.00 52.86 53.16 2gln s ASN 50 Cb -0.14 -2.55 0.61 0.00 -0.55 0.00 0.00 41.25 38.62 2gln s ASN 50 CO 0.07 -2.17 1.87 0.24 -2.79 0.00 0.00 177.10 174.33 2gln h MET 51 N 12.54 0.48 -0.24 0.43 2.86 -1.95 -1.24 114.93 127.81 2gln h MET 51 Ca -0.20 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.31 2gln h MET 51 Cb 1.10 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 2gln h MET 51 CO 1.25 0.54 0.09 0.77 1.06 0.00 0.00 176.91 180.62 2gln h SER 52 N 0.46 0.34 -0.25 1.22 0.02 -2.00 -1.56 113.55 111.78 2gln h SER 52 Ca 0.10 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2gln h SER 52 Cb 0.36 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2gln h SER 52 CO 0.01 0.43 0.15 -0.09 -1.14 0.00 0.00 176.83 176.19 2gln h ARG 53 N 0.23 0.34 -0.21 3.45 2.43 -1.94 -2.83 114.38 115.85 2gln h ARG 53 Ca 0.08 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 2gln h ARG 53 Cb 0.20 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 2gln h ARG 53 CO -0.01 0.27 -0.13 1.25 -1.51 0.00 0.00 179.97 179.84 2gln h LEU 54 N 0.32 -0.42 -0.85 3.80 6.46 -1.06 -1.46 115.31 122.10 2gln h LEU 54 Ca 0.09 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 2gln h LEU 54 Cb 0.01 0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.12 2gln h LEU 54 CO -0.02 -0.16 0.54 0.11 -0.62 0.00 0.00 178.44 178.29 2gln h LYS 55 N -0.11 1.13 -0.23 1.25 1.57 -1.22 0.21 116.57 119.16 2gln h LYS 55 Ca 0.12 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2gln h LYS 55 Cb 0.29 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 2gln h LYS 55 CO -0.28 0.77 -0.03 0.78 -0.57 0.00 0.00 179.45 180.11 2gln h GLY 56 N 1.15 0.19 1.43 3.86 0.00 -1.21 -0.79 103.07 107.71 2gln h GLY 56 Ca 0.31 0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.62 2gln h GLY 56 CO -0.06 -0.07 -0.03 0.50 0.00 0.00 0.00 176.54 176.88 2gln h LYS 57 N 0.03 0.69 -0.41 4.80 1.79 -0.18 -2.43 116.57 120.86 2gln h LYS 57 Ca 0.11 -0.18 -0.13 0.00 -2.18 0.00 0.00 60.65 58.26 2gln h LYS 57 Cb 0.16 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2gln h LYS 57 CO -0.21 0.73 -0.27 0.00 -1.08 0.00 0.00 179.45 178.61 2gln h ALA 58 N 1.33 0.74 -0.14 3.86 0.00 -0.41 0.34 119.26 124.97 2gln h ALA 58 Ca 0.13 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.67 2gln h ALA 58 Cb 0.44 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2gln h ALA 58 CO 0.02 0.66 -0.12 0.28 0.00 0.00 0.00 179.25 180.10 2gln h VAL 59 N 0.75 0.67 -0.42 0.00 2.07 -0.95 0.20 116.25 118.57 2gln h VAL 59 Ca 0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 2gln h VAL 59 Cb 0.83 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2gln h VAL 59 CO 0.07 0.00 0.23 -0.33 0.02 0.00 0.00 177.57 177.57 2gln h GLU 60 N -0.13 0.58 0.41 1.57 5.08 -1.21 -0.87 114.58 120.01 2gln h GLU 60 Ca 0.09 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2gln h GLU 60 Cb 0.26 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2gln h GLU 60 CO -0.22 0.46 -0.33 0.35 -1.00 0.00 0.00 179.01 178.27 2gln h PHE 61 N 0.55 -0.88 -0.83 4.33 3.57 0.08 -1.75 116.94 122.01 2gln h PHE 61 Ca 0.15 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2gln h PHE 61 Cb 0.04 0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 2gln h PHE 61 CO -0.03 -0.48 0.43 0.74 -2.23 0.00 0.00 178.31 176.74 2gln h PHE 62 N -0.74 1.16 0.02 0.41 -1.00 -0.90 0.24 116.94 116.13 2gln h PHE 62 Ca -0.04 -0.04 0.01 0.00 2.81 0.00 0.00 57.97 60.72 2gln h PHE 62 Cb 0.64 -0.37 -0.02 0.00 3.61 0.00 0.00 35.95 39.82 2gln h PHE 62 CO -0.16 0.82 -0.09 0.00 -1.61 0.00 0.00 178.31 177.27 2gln h ALA 63 N 1.30 -0.11 -0.60 2.45 0.00 -1.03 -1.72 119.26 119.55 2gln h ALA 63 Ca 0.29 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 2gln h ALA 63 Cb 0.07 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2gln h ALA 63 CO -0.04 -0.59 0.16 0.00 0.00 0.00 0.00 179.25 178.78 2gln h ALA 64 N 0.80 0.79 0.00 0.00 0.00 -1.10 0.11 119.26 119.86 2gln h ALA 64 Ca 0.03 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2gln h ALA 64 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2gln h ALA 64 CO -0.08 0.49 -0.27 0.00 0.00 0.00 0.00 179.25 179.38 2gln h ALA 65 N 1.05 1.46 -0.68 0.00 0.00 -0.80 -2.62 119.26 117.67 2gln h ALA 65 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2gln h ALA 65 Cb 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2gln h ALA 65 CO -0.00 0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.87 2gln n LEU 66 N -4.08 4.54 0.00 0.00 4.77 -0.66 -4.94 117.00 116.63 2gln n LEU 66 Ca -0.02 -2.31 0.00 0.00 -0.03 0.00 0.00 56.01 53.65 2gln n LEU 66 Cb 0.33 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2gln n LEU 66 CO 0.37 0.87 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 2gln n GLY 67 N 1.31 0.91 3.76 -0.72 0.00 -0.99 -1.05 105.19 108.42 2gln n GLY 67 Ca 0.26 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 2gln n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gln s GLY 68 N -2.03 1.66 0.00 -0.02 0.00 0.34 -4.87 107.32 102.40 2gln s GLY 68 Ca 0.00 0.14 0.30 0.00 0.00 0.00 0.00 44.72 45.16 2gln s GLY 68 CO 0.00 0.53 2.06 -1.55 0.00 0.00 0.00 173.10 174.14 2gln n PRO 69 N -3.60 0.68 -3.77 2.90 -0.04 -1.26 -4.60 135.00 125.31 2gln n PRO 69 Ca 0.08 -0.07 -0.35 0.00 -0.04 0.00 0.00 63.50 63.12 2gln n PRO 69 Cb 0.54 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 2gln n PRO 69 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2gln s GLU 70 N -2.37 3.58 0.44 0.54 2.02 -1.26 -5.07 118.70 116.58 2gln s GLU 70 Ca 0.35 -0.06 -0.22 0.00 0.02 0.00 0.00 54.97 55.06 2gln s GLU 70 Cb 0.21 -3.10 -0.10 0.00 0.10 0.00 0.00 34.13 31.24 2gln s GLU 70 CO 0.43 0.67 1.00 -1.25 0.02 0.00 0.00 175.26 176.13 2gln s PRO 71 N -1.64 4.09 -0.10 0.39 0.04 -1.26 -4.06 135.00 132.45 2gln s PRO 71 Ca 0.26 1.29 -0.26 0.00 0.04 0.00 0.00 61.00 62.33 2gln s PRO 71 Cb -0.13 -2.25 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 2gln s PRO 71 CO 0.15 -0.17 0.82 -0.47 0.04 0.00 0.00 177.00 177.36 2gln s TYR 72 N -1.98 3.52 -0.21 0.56 5.04 -1.26 -4.81 117.35 118.21 2gln s TYR 72 Ca 0.62 1.35 0.13 0.00 -2.44 0.00 0.00 57.07 56.74 2gln s TYR 72 Cb -0.15 -2.97 0.29 0.00 0.35 0.00 0.00 41.96 39.48 2gln s TYR 72 CO 0.19 -0.08 1.20 0.25 -1.34 0.00 0.00 175.55 175.76 2gln n THR 73 N 4.24 1.68 -2.33 4.34 -2.24 -1.26 -5.02 114.28 113.69 2gln n THR 73 Ca 0.03 -1.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.07 2gln n THR 73 Cb 0.50 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 2gln n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gln n GLY 74 N -0.76 1.19 3.90 3.38 0.00 -1.26 -5.11 105.19 106.53 2gln n GLY 74 Ca 0.13 -2.00 -0.28 0.00 0.00 0.00 0.00 46.02 43.87 2gln n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gln s ALA 75 N -2.49 3.41 0.40 4.61 0.00 -1.26 -5.04 121.76 121.39 2gln s ALA 75 Ca 0.00 -0.44 -0.26 0.00 0.00 0.00 0.00 51.96 51.26 2gln s ALA 75 Cb 0.00 -2.59 -0.11 0.00 0.00 0.00 0.00 23.12 20.42 2gln s ALA 75 CO 0.00 -0.23 1.29 -2.30 0.00 0.00 0.00 175.76 174.52 2gln n PRO 76 N -1.94 2.03 -0.27 0.00 -0.02 -1.26 -4.86 135.00 128.69 2gln n PRO 76 Ca 0.01 0.72 0.01 0.00 -2.02 0.00 0.00 63.50 62.22 2gln n PRO 76 Cb 0.55 -2.39 0.14 0.00 -0.02 0.00 0.00 33.50 31.78 2gln n PRO 76 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 2gln h MET 77 N 2.27 0.73 -0.01 -0.52 2.86 -1.96 -1.96 114.93 116.33 2gln h MET 77 Ca -0.48 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.12 2gln h MET 77 Cb 1.29 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.78 2gln h MET 77 CO 0.61 0.48 0.00 -0.22 1.06 0.00 0.00 176.91 178.85 2gln h LYS 78 N 0.75 0.02 -0.65 1.72 3.64 -1.92 -2.13 116.57 118.01 2gln h LYS 78 Ca 0.35 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.72 2gln h LYS 78 Cb 0.28 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 2gln h LYS 78 CO -0.22 0.24 0.37 0.37 -2.27 0.00 0.00 179.45 177.94 2gln h GLN 79 N -0.20 0.90 -0.21 1.90 4.15 -1.79 -0.59 115.11 119.26 2gln h GLN 79 Ca 0.00 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 2gln h GLN 79 Cb 0.23 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 2gln h GLN 79 CO 0.00 0.66 0.12 0.28 -1.93 0.00 0.00 178.83 177.96 2gln h VAL 80 N 0.89 1.11 0.00 2.39 2.07 -1.32 -3.34 116.25 118.04 2gln h VAL 80 Ca 0.23 -0.29 -0.10 0.00 0.82 0.00 0.00 66.70 67.36 2gln h VAL 80 Cb 0.02 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2gln h VAL 80 CO -0.04 0.10 -1.47 1.41 0.02 0.00 0.00 177.57 177.60 2gln n HIS 81 N -4.88 0.72 -2.06 1.57 8.25 -0.81 -4.87 115.22 113.14 2gln n HIS 81 Ca -0.03 0.23 -0.40 0.00 -0.26 0.00 0.00 57.72 57.26 2gln n HIS 81 Cb 0.07 -0.94 -0.01 0.00 1.12 0.00 0.00 29.99 30.24 2gln n HIS 81 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2gln s GLN 82 N -3.14 4.06 0.00 -0.41 0.74 -0.25 -2.49 119.66 118.17 2gln s GLN 82 Ca -0.04 2.18 0.00 0.00 0.05 0.00 0.00 55.36 57.55 2gln s GLN 82 Cb 0.10 -2.83 0.00 0.00 1.10 0.00 0.00 33.01 31.38 2gln s GLN 82 CO 0.82 -0.43 0.00 0.41 -0.55 0.00 0.00 175.29 175.55 2gln n GLY 83 N 0.68 1.74 0.30 2.59 0.00 -1.26 -4.91 105.19 104.34 2gln n GLY 83 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 2gln n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gln n ARG 84 N -2.00 1.39 -2.64 1.61 1.74 -1.04 -4.91 116.66 110.81 2gln n ARG 84 Ca 0.00 -0.59 -0.19 0.00 -0.77 0.00 0.00 57.85 56.30 2gln n ARG 84 Cb 0.00 -1.34 0.01 0.00 -1.02 0.00 0.00 32.46 30.11 2gln n ARG 84 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gln n GLY 85 N 0.97 -0.37 3.65 -0.13 0.00 -1.26 -4.98 105.19 103.08 2gln n GLY 85 Ca 0.15 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 2gln n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gln s ILE 86 N -3.00 5.00 0.47 -0.61 1.01 -1.26 -4.92 121.20 117.88 2gln s ILE 86 Ca 0.14 1.23 0.08 0.00 0.00 0.00 0.00 60.65 62.10 2gln s ILE 86 Cb -0.06 -3.96 0.03 0.00 0.01 0.00 0.00 42.46 38.47 2gln s ILE 86 CO 0.17 0.08 0.60 0.42 0.00 0.00 0.00 174.94 176.21 2gln s THR 87 N 2.08 2.66 0.43 2.92 -4.23 -1.26 0.28 115.64 118.51 2gln s THR 87 Ca 0.29 -1.07 0.09 0.00 -1.18 0.00 0.00 61.69 59.82 2gln s THR 87 Cb -0.16 -2.72 0.27 0.00 1.34 0.00 0.00 72.50 71.23 2gln s THR 87 CO 0.10 0.00 2.06 -0.03 -0.54 0.00 0.00 174.62 176.21 2gln h MET 88 N 0.56 0.46 -0.36 3.99 4.05 -1.95 -0.07 114.93 121.62 2gln h MET 88 Ca -0.37 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.02 2gln h MET 88 Cb 1.28 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.96 2gln h MET 88 CO 0.46 0.31 0.24 1.25 0.23 0.00 0.00 176.91 179.39 2gln h HIS 89 N 0.48 0.45 -0.45 1.39 -0.00 -1.98 -1.06 115.15 113.97 2gln h HIS 89 Ca 0.15 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.44 2gln h HIS 89 Cb 0.01 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.25 2gln h HIS 89 CO -0.00 0.29 -0.08 0.45 -0.00 0.00 0.00 177.93 178.59 2gln h HIS 90 N 0.49 0.94 -0.73 5.26 -0.00 -1.70 -2.43 115.15 116.99 2gln h HIS 90 Ca 0.13 -0.19 0.08 0.00 -0.00 0.00 0.00 60.37 60.39 2gln h HIS 90 Cb -0.06 -0.23 -0.07 0.00 -0.00 0.00 0.00 27.41 27.05 2gln h HIS 90 CO -0.05 0.93 0.39 0.35 -0.00 0.00 0.00 177.93 179.55 2gln h PHE 91 N 0.68 0.71 -0.49 2.45 3.57 -0.87 -0.96 116.94 122.03 2gln h PHE 91 Ca 0.12 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 2gln h PHE 91 Cb 0.61 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 2gln h PHE 91 CO 0.05 0.29 -0.08 0.77 -2.23 0.00 0.00 178.31 177.11 2gln h SER 92 N 0.68 0.86 -0.34 0.41 0.02 -0.97 0.12 113.55 114.33 2gln h SER 92 Ca 0.35 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 2gln h SER 92 Cb 0.31 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2gln h SER 92 CO -0.24 0.97 0.11 -0.07 -1.14 0.00 0.00 176.83 176.47 2gln h LEU 93 N 0.79 0.49 -0.27 5.07 3.38 -1.00 0.11 115.31 123.89 2gln h LEU 93 Ca 0.14 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2gln h LEU 93 Cb 0.59 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2gln h LEU 93 CO 0.04 0.56 0.16 0.58 0.09 0.00 0.00 178.44 179.87 2gln h VAL 94 N 0.40 1.09 -0.94 1.22 2.07 -0.84 -0.59 116.25 118.66 2gln h VAL 94 Ca 0.11 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.47 2gln h VAL 94 Cb 0.24 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 2gln h VAL 94 CO -0.00 0.09 0.60 0.00 0.02 0.00 0.00 177.57 178.28 2gln h ALA 95 N 1.06 1.28 -0.73 1.67 0.00 -0.65 -1.04 119.26 120.86 2gln h ALA 95 Ca 0.10 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2gln h ALA 95 Cb 0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 2gln h ALA 95 CO -0.02 0.42 0.47 0.78 0.00 0.00 0.00 179.25 180.90 2gln h GLY 96 N 1.13 1.04 1.18 0.00 0.00 -0.19 -1.38 103.07 104.85 2gln h GLY 96 Ca 0.40 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.27 2gln h GLY 96 CO -0.15 0.33 -0.02 0.45 0.00 0.00 0.00 176.54 177.15 2gln h HIS 97 N 0.94 1.06 -0.39 5.60 3.86 -0.44 -1.14 115.15 124.64 2gln h HIS 97 Ca 0.28 -0.18 0.01 0.00 -1.16 0.00 0.00 60.37 59.32 2gln h HIS 97 Cb -0.04 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.13 2gln h HIS 97 CO -0.03 0.96 0.25 1.25 0.86 0.00 0.00 177.93 181.22 2gln h LEU 98 N 0.89 0.43 -0.87 2.43 5.85 -0.90 0.30 115.31 123.44 2gln h LEU 98 Ca 0.16 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.90 2gln h LEU 98 Cb 0.55 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 2gln h LEU 98 CO 0.03 0.31 0.57 0.00 -0.34 0.00 0.00 178.44 179.01 2gln h ALA 99 N 1.15 1.13 -0.63 1.25 0.00 -1.04 -1.34 119.26 119.78 2gln h ALA 99 Ca 0.15 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2gln h ALA 99 Cb -0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 2gln h ALA 99 CO -0.04 0.45 0.10 -0.44 0.00 0.00 0.00 179.25 179.31 2gln h ASP 100 N 1.13 1.01 -0.61 0.00 3.32 -0.80 0.31 116.42 120.77 2gln h ASP 100 Ca 0.34 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2gln h ASP 100 Cb -0.05 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.20 2gln h ASP 100 CO -0.10 1.01 0.36 0.00 -1.72 0.00 0.00 179.24 178.80 2gln h ALA 101 N 1.03 0.78 -0.53 3.45 0.00 -0.70 0.14 119.26 123.43 2gln h ALA 101 Ca 0.19 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2gln h ALA 101 Cb 0.44 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2gln h ALA 101 CO 0.01 0.27 0.06 -0.07 0.00 0.00 0.00 179.25 179.53 2gln h LEU 102 N 0.83 0.87 -0.23 0.00 3.38 -0.97 -1.24 115.31 117.95 2gln h LEU 102 Ca 0.22 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2gln h LEU 102 Cb -0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2gln h LEU 102 CO -0.04 0.92 0.13 0.74 0.09 0.00 0.00 178.44 180.29 2gln h THR 103 N 0.78 1.10 -0.29 0.22 2.02 -0.68 -1.74 112.91 114.31 2gln h THR 103 Ca 0.16 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 67.12 2gln h THR 103 Cb 0.44 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 2gln h THR 103 CO 0.02 0.09 0.19 0.00 0.37 0.00 0.00 175.52 176.19 2gln h ALA 104 N 1.03 1.88 -0.00 6.16 0.00 -0.53 -1.34 119.26 126.46 2gln h ALA 104 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2gln h ALA 104 Cb 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2gln h ALA 104 CO -0.01 0.09 -0.00 0.00 0.00 0.00 0.00 179.25 179.32 2gln n ALA 105 N -2.51 2.48 -0.70 0.00 0.00 -0.49 -4.93 120.51 114.37 2gln n ALA 105 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2gln n ALA 105 Cb 0.13 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.09 2gln n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gln n GLY 106 N 1.30 0.59 3.69 0.00 0.00 -0.51 -5.04 105.19 105.22 2gln n GLY 106 Ca 0.14 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 2gln n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gln s VAL 107 N -2.00 4.18 0.40 1.61 1.01 -0.71 -4.98 120.40 119.91 2gln s VAL 107 Ca 0.00 1.53 -0.26 0.00 0.00 0.00 0.00 61.98 63.25 2gln s VAL 107 Cb 0.00 -3.98 -0.11 0.00 0.00 0.00 0.00 36.38 32.29 2gln s VAL 107 CO 0.00 0.03 1.25 -2.65 0.00 0.00 0.00 175.10 173.74 2gln n PRO 108 N 4.83 1.93 -0.11 2.72 -0.02 -1.26 -4.56 135.00 138.53 2gln n PRO 108 Ca 0.10 0.68 0.09 0.00 -2.02 0.00 0.00 63.50 62.36 2gln n PRO 108 Cb 0.46 -2.33 0.44 0.00 -0.02 0.00 0.00 33.50 32.05 2gln n PRO 108 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2gln h SER 109 N 2.17 0.48 0.07 2.55 4.64 -1.98 -1.08 113.55 120.41 2gln h SER 109 Ca -0.47 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.77 2gln h SER 109 Cb 1.30 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2gln h SER 109 CO 0.60 0.30 -0.27 -0.33 -0.87 0.00 0.00 176.83 176.27 2gln h GLU 110 N 0.54 0.32 -0.17 4.77 5.08 -1.99 0.24 114.58 123.38 2gln h GLU 110 Ca 0.27 -0.12 -0.16 0.00 -1.00 0.00 0.00 59.36 58.36 2gln h GLU 110 Cb 0.37 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2gln h GLU 110 CO -0.08 0.57 -0.55 1.15 -1.00 0.00 0.00 179.01 179.10 2gln h THR 111 N 0.29 1.33 -0.45 1.13 2.02 -1.58 -1.47 112.91 114.18 2gln h THR 111 Ca 0.04 -1.81 -0.03 0.00 0.77 0.00 0.00 66.41 65.38 2gln h THR 111 Cb 0.63 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 2gln h THR 111 CO 0.05 0.56 0.15 0.40 0.37 0.00 0.00 175.52 177.04 2gln h ILE 112 N 0.39 1.22 -0.75 3.11 2.04 -0.73 0.28 117.51 123.07 2gln h ILE 112 Ca 0.01 -0.71 0.03 0.00 1.00 0.00 0.00 64.86 65.19 2gln h ILE 112 Cb 1.09 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 2gln h ILE 112 CO 0.10 0.26 0.47 0.74 0.00 0.00 0.00 178.15 179.72 2gln h THR 113 N 0.58 1.10 -0.60 -0.27 2.02 -0.89 0.71 112.91 115.57 2gln h THR 113 Ca 0.15 -0.31 0.04 0.00 0.77 0.00 0.00 66.41 67.05 2gln h THR 113 Cb 0.25 0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 66.71 2gln h THR 113 CO -0.01 0.17 0.34 -0.08 0.37 0.00 0.00 175.52 176.31 2gln h GLU 114 N 0.92 0.63 -0.71 6.66 4.81 -0.82 -1.33 114.58 124.74 2gln h GLU 114 Ca 0.30 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.43 2gln h GLU 114 Cb 0.03 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 2gln h GLU 114 CO -0.12 0.42 0.20 0.82 -0.73 0.00 0.00 179.01 179.61 2gln h ILE 115 N 0.65 1.26 -0.94 2.32 2.04 -0.04 -2.70 117.51 120.10 2gln h ILE 115 Ca 0.25 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 65.22 2gln h ILE 115 Cb 0.10 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 36.64 2gln h ILE 115 CO -0.14 0.36 0.62 -0.07 0.00 0.00 0.00 178.15 178.92 2gln h LEU 116 N 1.05 1.03 -1.84 1.44 3.38 -0.55 -0.73 115.31 119.10 2gln h LEU 116 Ca 0.23 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.23 2gln h LEU 116 Cb 0.33 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2gln h LEU 116 CO -0.00 0.71 0.20 1.23 0.09 0.00 0.00 178.44 180.67 2gln h GLY 117 N 1.20 0.24 1.02 0.83 0.00 -0.93 0.63 103.07 106.06 2gln h GLY 117 Ca 0.37 -0.08 -0.21 0.00 0.00 0.00 0.00 47.33 47.42 2gln h GLY 117 CO -0.12 0.07 -0.77 -2.08 0.00 0.00 0.00 176.54 173.64 2gln h VAL 118 N 0.20 1.33 0.22 4.60 2.07 -1.07 -3.39 116.25 120.22 2gln h VAL 118 Ca 0.13 -2.07 -0.33 0.00 0.82 0.00 0.00 66.70 65.25 2gln h VAL 118 Cb 0.25 2.33 0.03 0.00 -1.52 0.00 0.00 31.29 32.38 2gln h VAL 118 CO -0.02 0.63 -1.51 0.40 0.02 0.00 0.00 177.57 177.08 2gln h ILE 119 N 0.23 1.18 -0.71 4.57 1.08 -0.60 -3.38 117.51 119.88 2gln h ILE 119 Ca -0.08 -2.61 0.14 0.00 -0.39 0.00 0.00 64.86 61.91 2gln h ILE 119 Cb 1.44 2.96 -0.10 0.00 -3.07 0.00 0.00 36.82 38.05 2gln h ILE 119 CO 0.15 0.81 0.23 0.00 -0.69 0.00 0.00 178.15 178.66 2gln h ALA 120 N 0.12 0.95 0.00 1.87 0.00 0.06 0.15 119.26 122.41 2gln h ALA 120 Ca -0.28 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2gln h ALA 120 Cb 2.09 0.14 0.00 0.00 0.00 0.00 0.00 17.79 20.03 2gln h ALA 120 CO 0.23 -0.26 0.08 -1.35 0.00 0.00 0.00 179.25 177.94 2gln h PRO 121 N 0.36 0.00 0.00 0.00 0.11 -1.77 -2.05 132.00 128.64 2gln h PRO 121 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 2gln h PRO 121 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 2gln h PRO 121 CO -0.43 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.64 2gln n LEU 122 N -2.58 0.57 -0.07 2.35 4.77 0.52 -3.37 117.00 119.19 2gln n LEU 122 Ca -0.02 0.61 0.25 0.00 -0.03 0.00 0.00 56.01 56.82 2gln n LEU 122 Cb 0.12 -0.49 0.72 0.00 -2.33 0.00 0.00 43.42 41.44 2gln n LEU 122 CO 0.13 -0.37 1.23 0.00 -1.33 0.00 0.00 177.39 177.05 2gln h ALA 123 N 2.43 2.56 -0.43 -1.18 0.00 -1.50 -1.55 119.26 119.60 2gln h ALA 123 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2gln h ALA 123 Cb 0.47 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2gln h ALA 123 CO 0.00 -0.95 0.25 -0.39 0.00 0.00 0.00 179.25 178.16 2gln h VAL 124 N 0.00 1.14 0.00 0.00 -1.51 -1.81 -0.89 116.25 113.18 2gln h VAL 124 Ca 0.33 -0.35 -0.07 0.00 -1.23 0.00 0.00 66.70 65.39 2gln h VAL 124 Cb 1.51 0.60 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 2gln h VAL 124 CO -0.00 0.15 -0.33 0.44 -1.23 0.00 0.00 177.57 176.59 2gln h ASP 125 N 0.56 0.00 0.10 4.19 3.32 -1.56 -3.36 116.42 119.67 2gln h ASP 125 Ca 0.15 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.92 2gln h ASP 125 Cb 0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2gln h ASP 125 CO -0.03 0.33 -1.48 0.58 -1.72 0.00 0.00 179.24 176.92 2gln h VAL 126 N 0.00 0.96 -1.96 -1.35 2.07 -1.23 -3.34 116.25 111.38 2gln h VAL 126 Ca -0.00 -2.36 -0.45 0.00 0.82 0.00 0.00 66.70 64.70 2gln h VAL 126 Cb 1.18 2.63 0.05 0.00 -1.52 0.00 0.00 31.29 33.63 2gln h VAL 126 CO 0.04 0.69 -0.04 0.42 0.02 0.00 0.00 177.57 178.70 2gln s THR 127 N -2.48 2.49 0.00 2.57 -4.23 -0.36 -4.48 115.64 109.15 2gln s THR 127 Ca -0.21 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 2gln s THR 127 Cb 0.05 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 71.15 2gln s THR 127 CO 0.75 0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 173.29 2gln n SER 128 N -2.38 0.55 0.00 3.99 3.41 0.14 -4.93 113.62 114.40 2gln n SER 128 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2gln n SER 128 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2gln n SER 128 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49