#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1idr h LEU 3 N 0.00 0.72 -0.55 0.99 5.85 -1.99 -1.81 115.31 118.53 1idr h LEU 3 Ca 0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1idr h LEU 3 Cb 0.00 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1idr h LEU 3 CO 0.00 0.48 0.12 0.25 -0.34 0.00 0.00 178.44 178.94 1idr h LEU 4 N 0.83 0.84 -0.60 2.25 5.85 -2.04 0.71 115.31 123.15 1idr h LEU 4 Ca 0.32 -0.24 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 1idr h LEU 4 Cb 0.19 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1idr h LEU 4 CO -0.10 0.87 -0.30 0.28 -0.34 0.00 0.00 178.44 178.84 1idr h SER 5 N 0.78 0.81 -0.29 1.25 0.02 -1.90 -1.77 113.55 112.46 1idr h SER 5 Ca 0.17 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 1idr h SER 5 Cb 0.37 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1idr h SER 5 CO 0.01 1.06 0.07 0.03 -1.14 0.00 0.00 176.83 176.85 1idr h ARG 6 N 0.66 0.46 -0.73 3.45 3.08 -0.92 -1.80 114.38 118.58 1idr h ARG 6 Ca 0.08 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1idr h ARG 6 Cb 0.84 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.79 1idr h ARG 6 CO 0.07 0.53 0.48 -0.07 -1.07 0.00 0.00 179.97 179.92 1idr h LEU 7 N 0.30 0.80 -1.75 3.04 3.38 -0.73 -0.03 115.31 120.32 1idr h LEU 7 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1idr h LEU 7 Cb 0.28 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1idr h LEU 7 CO 0.00 0.57 0.00 0.03 0.09 0.00 0.00 178.44 179.13 1idr h ARG 8 N 0.94 0.00 -0.13 1.13 3.08 -0.83 -1.02 114.38 117.54 1idr h ARG 8 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1idr h ARG 8 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1idr h ARG 8 CO -0.07 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.46 1idr n LYS 9 N -3.00 1.78 -2.09 0.04 5.02 -0.06 -4.91 118.16 114.94 1idr n LYS 9 Ca -0.00 -1.16 -0.15 0.00 -2.02 0.00 0.00 58.31 54.98 1idr n LYS 9 Cb 0.24 -1.43 -0.02 0.00 -0.02 0.00 0.00 35.03 33.80 1idr n LYS 9 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1idr n ARG 10 N 0.39 -1.15 -2.60 1.97 1.74 -0.39 -5.02 116.66 111.59 1idr n ARG 10 Ca 0.17 0.79 -0.38 0.00 -0.77 0.00 0.00 57.85 57.66 1idr n ARG 10 Cb 0.36 -5.07 -0.05 0.00 -1.02 0.00 0.00 32.46 26.68 1idr n ARG 10 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1idr s GLU 11 N -4.40 4.50 0.51 5.56 2.02 -0.97 -5.03 118.70 120.90 1idr s GLU 11 Ca 0.00 1.56 -0.21 0.00 0.02 0.00 0.00 54.97 56.34 1idr s GLU 11 Cb 0.00 -2.90 -0.07 0.00 0.10 0.00 0.00 34.13 31.26 1idr s GLU 11 CO 0.00 0.15 1.12 -1.25 0.02 0.00 0.00 175.26 175.31 1idr s PRO 12 N -1.89 3.56 -0.05 0.39 0.05 -1.26 -4.55 135.00 131.26 1idr s PRO 12 Ca 0.50 1.61 -0.30 0.00 0.05 0.00 0.00 61.00 62.86 1idr s PRO 12 Cb -0.25 -2.14 -0.06 0.00 0.05 0.00 0.00 34.50 32.10 1idr s PRO 12 CO 0.32 -0.68 1.73 0.42 0.05 0.00 0.00 177.00 178.84 1idr s ILE 13 N -1.74 3.45 0.77 0.56 1.01 -1.26 -5.01 121.20 118.98 1idr s ILE 13 Ca 0.69 0.55 -0.12 0.00 0.00 0.00 0.00 60.65 61.77 1idr s ILE 13 Cb -0.24 -3.36 0.05 0.00 0.01 0.00 0.00 42.46 38.92 1idr s ILE 13 CO 0.28 -0.06 1.11 -0.94 0.00 0.00 0.00 174.94 175.33 1idr s SER 14 N 3.72 4.84 0.17 3.58 1.04 -1.26 -4.92 113.70 120.88 1idr s SER 14 Ca 0.77 1.12 -0.14 0.00 0.48 0.00 0.00 55.95 58.18 1idr s SER 14 Cb -0.35 -1.83 0.12 0.00 0.10 0.00 0.00 66.02 64.06 1idr s SER 14 CO 0.32 -1.73 1.78 0.40 0.98 0.00 0.00 173.24 174.99 1idr h ILE 15 N -0.92 0.94 -0.66 -1.02 2.04 -1.89 -0.83 117.51 115.18 1idr h ILE 15 Ca -0.46 -0.15 0.12 0.00 1.00 0.00 0.00 64.86 65.37 1idr h ILE 15 Cb 1.28 0.46 -0.12 0.00 -0.74 0.00 0.00 36.82 37.69 1idr h ILE 15 CO 0.63 0.08 -0.28 0.22 0.00 0.00 0.00 178.15 178.79 1idr h TYR 16 N 0.45 -0.75 -0.26 1.37 3.20 -1.54 -1.54 116.97 117.90 1idr h TYR 16 Ca 0.21 0.07 -0.15 0.00 3.14 0.00 0.00 58.73 62.00 1idr h TYR 16 Cb 0.13 0.43 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 1idr h TYR 16 CO -0.11 -0.36 -0.46 -0.44 -1.64 0.00 0.00 178.16 175.15 1idr h ASP 17 N -0.10 0.73 -0.92 -2.11 3.45 -1.79 0.56 116.42 116.25 1idr h ASP 17 Ca 0.28 -0.35 0.12 0.00 0.43 0.00 0.00 57.03 57.50 1idr h ASP 17 Cb 0.55 -0.21 -0.08 0.00 -0.56 0.00 0.00 39.33 39.02 1idr h ASP 17 CO -0.72 1.08 0.55 0.50 -1.57 0.00 0.00 179.24 179.08 1idr h LYS 18 N 0.54 0.83 -0.33 3.56 3.64 -0.72 -1.83 116.57 122.26 1idr h LYS 18 Ca 0.03 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1idr h LYS 18 Cb 1.00 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1idr h LYS 18 CO 0.09 0.55 0.00 0.44 -2.27 0.00 0.00 179.45 178.26 1idr n ILE 19 N -4.71 0.43 0.00 2.00 -5.35 -0.62 -4.90 119.36 106.21 1idr n ILE 19 Ca 0.17 -0.63 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 1idr n ILE 19 Cb 0.36 0.77 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 1idr n ILE 19 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1idr n GLY 20 N 1.39 0.93 7.00 3.28 0.00 -0.69 -4.73 105.19 112.38 1idr n GLY 20 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1idr n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1idr n GLY 21 N -1.02 -0.02 0.29 -0.02 0.00 0.20 -3.46 105.19 101.16 1idr n GLY 21 Ca 0.00 -0.99 0.09 0.00 0.00 0.00 0.00 46.02 45.11 1idr n GLY 21 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1idr h HIS 22 N 0.00 0.45 -0.18 1.61 2.76 -1.97 -1.97 115.15 115.85 1idr h HIS 22 Ca 0.00 0.04 -0.14 0.00 -2.20 0.00 0.00 60.37 58.07 1idr h HIS 22 Cb 0.00 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 1idr h HIS 22 CO 0.00 -0.06 -0.49 0.93 -1.30 0.00 0.00 177.93 177.01 1idr h GLU 23 N 0.34 0.48 -0.55 5.26 5.08 -1.99 -2.28 114.58 120.92 1idr h GLU 23 Ca 0.48 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1idr h GLU 23 Cb 0.86 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1idr h GLU 23 CO -0.52 0.86 0.02 0.00 -1.00 0.00 0.00 179.01 178.38 1idr h ALA 24 N 1.09 0.74 -0.38 3.43 0.00 -1.40 -3.02 119.26 119.73 1idr h ALA 24 Ca 0.02 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1idr h ALA 24 Cb 1.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1idr h ALA 24 CO 0.09 0.54 -0.19 0.82 0.00 0.00 0.00 179.25 180.51 1idr h ILE 25 N 0.84 1.27 -0.65 0.00 2.04 -1.31 -0.90 117.51 118.81 1idr h ILE 25 Ca 0.16 -1.27 0.08 0.00 1.00 0.00 0.00 64.86 64.83 1idr h ILE 25 Cb 0.51 1.18 -0.07 0.00 -0.74 0.00 0.00 36.82 37.70 1idr h ILE 25 CO 0.02 0.43 0.31 -0.33 0.00 0.00 0.00 178.15 178.58 1idr h GLU 26 N 0.65 0.53 -0.33 2.37 5.08 -1.35 0.35 114.58 121.87 1idr h GLU 26 Ca 0.10 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 1idr h GLU 26 Cb 0.68 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1idr h GLU 26 CO 0.05 0.35 -0.32 0.28 -1.00 0.00 0.00 179.01 178.37 1idr h VAL 27 N 0.54 1.29 -0.21 3.13 2.07 -1.29 -2.19 116.25 119.60 1idr h VAL 27 Ca 0.31 -1.49 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 1idr h VAL 27 Cb 0.31 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1idr h VAL 27 CO -0.25 0.49 0.02 0.58 0.02 0.00 0.00 177.57 178.42 1idr h VAL 28 N 0.57 1.24 -0.70 2.57 2.07 -0.02 -2.61 116.25 119.37 1idr h VAL 28 Ca 0.05 -0.80 0.05 0.00 0.82 0.00 0.00 66.70 66.82 1idr h VAL 28 Cb 0.90 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 1idr h VAL 28 CO 0.08 0.25 0.41 0.58 0.02 0.00 0.00 177.57 178.91 1idr h VAL 29 N 0.13 1.03 -0.43 2.57 2.07 -0.28 0.20 116.25 121.55 1idr h VAL 29 Ca 0.06 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.37 1idr h VAL 29 Cb 0.35 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 1idr h VAL 29 CO 0.01 0.14 0.15 -0.08 0.02 0.00 0.00 177.57 177.81 1idr h GLU 30 N 0.78 0.31 -0.39 1.57 4.57 -1.32 -1.02 114.58 119.09 1idr h GLU 30 Ca 0.30 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.34 1idr h GLU 30 Cb 0.12 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1idr h GLU 30 CO -0.15 0.20 -0.22 0.22 -1.18 0.00 0.00 179.01 177.88 1idr h ASP 31 N 0.32 0.87 -0.63 1.04 3.58 -0.99 -2.51 116.42 118.10 1idr h ASP 31 Ca 0.20 -0.42 0.12 0.00 0.42 0.00 0.00 57.03 57.35 1idr h ASP 31 Cb 0.19 -0.24 -0.12 0.00 1.72 0.00 0.00 39.33 40.88 1idr h ASP 31 CO -0.20 1.10 -0.26 0.15 -2.88 0.00 0.00 179.24 177.14 1idr h PHE 32 N 0.64 -0.67 0.00 0.28 3.57 -0.27 -2.02 116.94 118.46 1idr h PHE 32 Ca 0.08 0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 1idr h PHE 32 Cb 0.79 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 1idr h PHE 32 CO 0.06 -0.34 -0.28 1.88 -2.23 0.00 0.00 178.31 177.40 1idr h TYR 33 N -0.09 0.00 0.21 0.41 -1.99 -1.06 -0.53 116.97 113.92 1idr h TYR 33 Ca 0.27 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.01 1idr h TYR 33 Cb 0.53 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.24 1idr h TYR 33 CO -0.60 0.28 -0.20 0.28 -0.00 0.00 0.00 178.16 177.92 1idr h VAL 34 N 0.00 0.57 -0.67 -2.88 2.07 -0.95 -1.69 116.25 112.69 1idr h VAL 34 Ca -0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1idr h VAL 34 Cb 0.84 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1idr h VAL 34 CO 0.04 0.00 0.11 0.03 0.02 0.00 0.00 177.57 177.76 1idr h ARG 35 N -0.43 1.11 0.48 1.57 3.08 -0.99 -2.66 114.38 116.54 1idr h ARG 35 Ca -0.00 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 1idr h ARG 35 Cb 0.40 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1idr h ARG 35 CO -0.04 1.02 -0.23 0.28 -1.07 0.00 0.00 179.97 179.92 1idr h VAL 36 N 1.04 0.46 -0.12 2.04 2.07 -1.01 -2.88 116.25 117.84 1idr h VAL 36 Ca 0.20 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.41 1idr h VAL 36 Cb 0.44 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1idr h VAL 36 CO 0.01 0.05 0.28 -0.07 0.02 0.00 0.00 177.57 177.86 1idr h LEU 37 N -0.88 0.00 -0.07 2.57 3.38 -1.33 -0.97 115.31 118.01 1idr h LEU 37 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1idr h LEU 37 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1idr h LEU 37 CO 0.11 0.00 -0.19 0.00 0.09 0.00 0.00 178.44 178.45 1idr n ALA 38 N -2.11 2.85 -2.53 1.53 0.00 -1.01 -4.58 120.51 114.68 1idr n ALA 38 Ca 0.00 -0.23 -0.43 0.00 0.00 0.00 0.00 53.44 52.79 1idr n ALA 38 Cb 0.37 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.43 1idr n ALA 38 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1idr s ASP 39 N -2.83 6.34 0.57 0.00 3.68 -0.37 -4.93 116.67 119.13 1idr s ASP 39 Ca 0.18 -0.27 0.27 0.00 2.13 0.00 0.00 52.55 54.86 1idr s ASP 39 Cb 0.19 -2.32 1.54 0.00 -1.45 0.00 0.00 42.92 40.88 1idr s ASP 39 CO 0.57 -0.75 2.03 0.44 0.13 0.00 0.00 175.17 177.58 1idr h ASP 40 N 8.82 0.00 1.09 -0.34 3.32 -1.85 0.38 116.42 127.83 1idr h ASP 40 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1idr h ASP 40 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1idr h ASP 40 CO 0.88 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.40 1idr n GLN 41 N -3.94 0.23 -0.02 3.56 6.02 -1.26 -4.09 117.38 117.88 1idr n GLN 41 Ca 0.05 0.33 -0.01 0.00 -0.01 0.00 0.00 57.00 57.36 1idr n GLN 41 Cb 0.47 -1.85 -0.04 0.00 1.02 0.00 0.00 30.24 29.84 1idr n GLN 41 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1idr n LEU 42 N -2.27 0.00 -0.19 1.08 4.77 0.12 -4.80 117.00 115.71 1idr n LEU 42 Ca 0.04 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1idr n LEU 42 Cb 0.33 0.10 0.09 0.00 -2.33 0.00 0.00 43.42 41.61 1idr n LEU 42 CO 0.25 0.10 0.91 -1.28 -1.33 0.00 0.00 177.39 176.04 1idr h SER 43 N 0.00 -0.02 -0.01 -1.43 0.87 -1.45 -2.72 113.55 108.79 1idr h SER 43 Ca -0.11 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1idr h SER 43 Cb 1.09 0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1idr h SER 43 CO 0.01 0.01 0.01 0.00 -0.53 0.00 0.00 176.83 176.32 1idr h ALA 44 N 1.46 1.60 0.00 6.23 0.00 -1.87 0.14 119.26 126.82 1idr h ALA 44 Ca 0.29 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1idr h ALA 44 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1idr h ALA 44 CO -0.39 -0.02 -0.03 0.74 0.00 0.00 0.00 179.25 179.55 1idr h PHE 45 N 0.00 0.00 -0.60 0.00 -1.00 -1.83 -2.83 116.94 110.68 1idr h PHE 45 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1idr h PHE 45 Cb 0.03 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.59 1idr h PHE 45 CO 0.00 0.03 0.00 1.19 -1.61 0.00 0.00 178.31 177.92 1idr n PHE 46 N -4.23 1.66 -1.66 -0.55 3.01 0.04 -4.92 117.46 110.81 1idr n PHE 46 Ca -0.03 -0.62 -0.42 0.00 1.01 0.00 0.00 57.45 57.39 1idr n PHE 46 Cb 0.12 -0.34 -0.03 0.00 -0.01 0.00 0.00 39.48 39.22 1idr n PHE 46 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1idr s SER 47 N -0.82 6.21 0.00 4.37 0.15 -1.07 -1.88 113.70 120.66 1idr s SER 47 Ca 0.51 2.48 0.00 0.00 0.70 0.00 0.00 55.95 59.64 1idr s SER 47 Cb 0.35 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1idr s SER 47 CO 0.21 -1.27 0.00 0.61 1.20 0.00 0.00 173.24 173.98 1idr n GLY 48 N 4.84 0.67 3.76 9.45 0.00 -1.26 -5.02 105.19 117.62 1idr n GLY 48 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1idr n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1idr s THR 49 N -2.68 2.96 -1.06 2.61 -4.23 -0.79 -4.95 115.64 107.50 1idr s THR 49 Ca 0.00 0.93 -0.22 0.00 -1.18 0.00 0.00 61.69 61.22 1idr s THR 49 Cb 0.00 -3.59 0.02 0.00 1.34 0.00 0.00 72.50 70.26 1idr s THR 49 CO 0.00 0.21 1.67 0.21 -0.54 0.00 0.00 174.62 176.17 1idr s ASN 50 N -0.45 6.09 0.44 3.99 2.47 -1.26 -4.80 114.94 121.42 1idr s ASN 50 Ca 0.49 -1.46 0.12 0.00 0.42 0.00 0.00 52.86 52.43 1idr s ASN 50 Cb -0.38 -2.57 1.01 0.00 -1.45 0.00 0.00 41.25 37.86 1idr s ASN 50 CO 0.48 -1.89 2.02 0.24 -3.72 0.00 0.00 177.10 174.23 1idr h MET 51 N 9.76 0.40 0.68 0.43 2.86 -1.94 -0.57 114.93 126.54 1idr h MET 51 Ca 0.22 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.81 1idr h MET 51 Cb 0.98 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.55 1idr h MET 51 CO 1.36 0.26 -0.40 1.03 1.06 0.00 0.00 176.91 180.23 1idr h SER 52 N 0.41 -0.98 -0.17 1.22 0.87 -2.00 0.22 113.55 113.12 1idr h SER 52 Ca 0.21 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.86 1idr h SER 52 Cb 0.32 0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.53 1idr h SER 52 CO -0.05 -0.63 -0.03 -0.09 -0.53 0.00 0.00 176.83 175.50 1idr h ARG 53 N -1.00 0.01 -0.16 2.24 2.43 -1.70 -2.20 114.38 113.99 1idr h ARG 53 Ca -0.09 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1idr h ARG 53 Cb 0.80 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.28 1idr h ARG 53 CO 0.10 0.01 -0.34 1.25 -1.51 0.00 0.00 179.97 179.48 1idr h LEU 54 N 0.01 -1.07 -0.81 3.80 5.85 -0.92 -0.17 115.31 122.01 1idr h LEU 54 Ca 0.08 0.16 0.12 0.00 0.84 0.00 0.00 57.88 59.08 1idr h LEU 54 Cb 0.11 0.46 -0.08 0.00 0.37 0.00 0.00 40.66 41.52 1idr h LEU 54 CO -0.16 -0.37 0.42 0.11 -0.34 0.00 0.00 178.44 178.10 1idr h LYS 55 N -0.40 0.63 -0.43 1.25 1.57 -0.35 0.30 116.57 119.15 1idr h LYS 55 Ca 0.10 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1idr h LYS 55 Cb 0.56 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1idr h LYS 55 CO -0.39 0.42 0.26 0.78 -0.57 0.00 0.00 179.45 179.96 1idr h GLY 56 N 0.65 0.62 1.21 3.86 0.00 -0.65 0.47 103.07 109.23 1idr h GLY 56 Ca 0.42 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.40 1idr h GLY 56 CO -0.31 0.25 -0.06 0.50 0.00 0.00 0.00 176.54 176.92 1idr h LYS 57 N 0.57 0.94 -0.62 4.80 1.79 -0.17 -1.84 116.57 122.04 1idr h LYS 57 Ca 0.15 -0.31 -0.02 0.00 -2.18 0.00 0.00 60.65 58.30 1idr h LYS 57 Cb -0.01 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.53 1idr h LYS 57 CO -0.03 0.96 0.32 0.37 -1.08 0.00 0.00 179.45 180.00 1idr h GLN 58 N 0.85 0.88 -0.72 3.15 5.75 0.00 0.62 115.11 125.64 1idr h GLN 58 Ca 0.15 -0.11 0.06 0.00 -0.15 0.00 0.00 58.65 58.59 1idr h GLN 58 Cb 0.58 -0.17 -0.06 0.00 1.07 0.00 0.00 27.48 28.91 1idr h GLN 58 CO 0.04 0.68 0.42 0.28 -2.65 0.00 0.00 178.83 177.60 1idr h VAL 59 N 0.85 1.00 -0.50 2.39 2.07 -0.61 -0.90 116.25 120.55 1idr h VAL 59 Ca 0.22 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 1idr h VAL 59 Cb 0.08 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 1idr h VAL 59 CO -0.03 0.14 -0.05 -0.33 0.02 0.00 0.00 177.57 177.32 1idr h GLU 60 N 0.78 0.91 0.39 1.57 5.08 -0.72 -1.37 114.58 121.22 1idr h GLU 60 Ca 0.32 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1idr h GLU 60 Cb 0.16 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1idr h GLU 60 CO -0.17 0.96 -0.19 0.35 -1.00 0.00 0.00 179.01 178.97 1idr h PHE 61 N 0.77 -0.48 -0.66 4.33 3.57 -0.45 -1.67 116.94 122.35 1idr h PHE 61 Ca 0.13 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.69 1idr h PHE 61 Cb 0.58 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.43 1idr h PHE 61 CO 0.04 -0.17 0.36 0.74 -2.23 0.00 0.00 178.31 177.06 1idr h PHE 62 N -0.80 0.66 -0.68 0.41 0.05 -1.22 0.62 116.94 115.98 1idr h PHE 62 Ca -0.05 0.03 0.01 0.00 3.82 0.00 0.00 57.97 61.77 1idr h PHE 62 Cb 0.53 -0.20 -0.03 0.00 2.00 0.00 0.00 35.95 38.25 1idr h PHE 62 CO 0.01 0.30 0.45 0.00 -0.18 0.00 0.00 178.31 178.89 1idr h ALA 63 N 1.35 0.86 -0.14 2.45 0.00 -1.16 0.58 119.26 123.20 1idr h ALA 63 Ca 0.30 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1idr h ALA 63 Cb 0.21 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1idr h ALA 63 CO -0.19 0.28 -0.16 0.00 0.00 0.00 0.00 179.25 179.18 1idr h ALA 64 N 1.25 0.20 -0.54 0.00 0.00 -0.76 0.11 119.26 119.53 1idr h ALA 64 Ca 0.25 -0.33 0.12 0.00 0.00 0.00 0.00 54.91 54.94 1idr h ALA 64 Cb -0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1idr h ALA 64 CO -0.05 0.10 0.37 0.00 0.00 0.00 0.00 179.25 179.66 1idr h ALA 65 N 0.59 2.21 -0.43 0.00 0.00 -0.71 -1.69 119.26 119.24 1idr h ALA 65 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1idr h ALA 65 Cb 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1idr h ALA 65 CO 0.04 -0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.22 1idr n LEU 66 N -4.44 3.03 0.00 0.00 4.77 0.18 -4.91 117.00 115.62 1idr n LEU 66 Ca 0.09 -1.52 0.00 0.00 -0.03 0.00 0.00 56.01 54.55 1idr n LEU 66 Cb 0.45 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1idr n LEU 66 CO 0.35 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 1idr n GLY 67 N 0.93 0.77 3.49 -0.72 0.00 -0.63 -1.34 105.19 107.68 1idr n GLY 67 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1idr n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1idr s GLY 68 N -1.94 1.55 0.28 -0.02 0.00 0.36 -4.87 107.32 102.67 1idr s GLY 68 Ca 0.00 -0.10 0.19 0.00 0.00 0.00 0.00 44.72 44.81 1idr s GLY 68 CO 0.00 0.62 1.32 -0.56 0.00 0.00 0.00 173.10 174.48 1idr h PRO 69 N -2.65 0.00 -5.83 2.90 0.13 -1.94 -3.44 132.00 121.17 1idr h PRO 69 Ca -0.61 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 63.88 1idr h PRO 69 Cb 1.33 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.41 1idr h PRO 69 CO 0.50 0.23 -0.45 -1.21 -0.23 0.00 0.00 178.00 176.85 1idr s GLU 70 N -3.10 3.50 0.65 0.86 2.02 -1.26 -5.08 118.70 116.29 1idr s GLU 70 Ca 0.03 -0.19 -0.15 0.00 0.02 0.00 0.00 54.97 54.68 1idr s GLU 70 Cb 0.07 -3.10 -0.01 0.00 0.10 0.00 0.00 34.13 31.20 1idr s GLU 70 CO 0.74 0.68 1.09 -2.14 0.02 0.00 0.00 175.26 175.64 1idr s PRO 71 N -1.76 2.95 0.04 0.39 0.02 -1.26 -4.46 135.00 130.92 1idr s PRO 71 Ca 0.26 1.28 -0.30 0.00 0.02 0.00 0.00 61.00 62.26 1idr s PRO 71 Cb -0.13 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.37 1idr s PRO 71 CO 0.16 -1.11 1.00 -0.47 -0.33 0.00 0.00 177.00 176.24 1idr s TYR 72 N -2.47 3.68 -1.27 6.54 5.04 -1.26 -4.95 117.35 122.66 1idr s TYR 72 Ca 0.65 1.69 0.11 0.00 -2.44 0.00 0.00 57.07 57.08 1idr s TYR 72 Cb -0.18 -3.13 0.16 0.00 0.35 0.00 0.00 41.96 39.15 1idr s TYR 72 CO 0.42 -0.08 0.99 0.25 -1.34 0.00 0.00 175.55 175.78 1idr n THR 73 N 3.57 0.32 -1.05 4.34 -2.24 -1.26 -5.02 114.28 112.94 1idr n THR 73 Ca 0.05 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1idr n THR 73 Cb 0.50 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 1idr n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1idr n GLY 74 N 0.61 -0.41 3.85 3.38 0.00 -1.26 -5.06 105.19 106.30 1idr n GLY 74 Ca 0.08 -1.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.04 1idr n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1idr s ALA 75 N -3.60 3.28 0.69 4.61 0.00 -1.26 -5.04 121.76 120.43 1idr s ALA 75 Ca 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 51.96 51.84 1idr s ALA 75 Cb 0.00 -2.82 0.01 0.00 0.00 0.00 0.00 23.12 20.32 1idr s ALA 75 CO 0.00 0.18 1.16 -2.14 0.00 0.00 0.00 175.76 174.97 1idr s PRO 76 N -3.30 2.50 0.24 0.00 0.02 -1.26 -4.82 135.00 128.39 1idr s PRO 76 Ca 0.55 1.60 -0.06 0.00 0.02 0.00 0.00 61.00 63.11 1idr s PRO 76 Cb -0.10 -1.89 0.27 0.00 0.02 0.00 0.00 34.50 32.79 1idr s PRO 76 CO 0.21 -1.52 1.90 0.52 -0.33 0.00 0.00 177.00 177.78 1idr h MET 77 N -0.03 1.16 -0.22 5.54 2.86 -1.96 -2.40 114.93 119.87 1idr h MET 77 Ca -0.47 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.06 1idr h MET 77 Cb 1.27 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 1idr h MET 77 CO 0.52 0.77 -0.01 -0.22 1.06 0.00 0.00 176.91 179.02 1idr h LYS 78 N 1.19 0.41 -0.31 1.72 3.64 -1.92 -2.36 116.57 118.94 1idr h LYS 78 Ca 0.36 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1idr h LYS 78 Cb -0.05 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1idr h LYS 78 CO -0.10 0.61 0.10 0.37 -2.27 0.00 0.00 179.45 178.16 1idr h GLN 79 N 0.16 0.48 -0.04 1.90 4.15 -1.87 -0.83 115.11 119.06 1idr h GLN 79 Ca 0.06 -0.10 -0.11 0.00 0.77 0.00 0.00 58.65 59.27 1idr h GLN 79 Cb 0.43 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1idr h GLN 79 CO 0.01 0.51 -0.51 -0.24 -1.93 0.00 0.00 178.83 176.68 1idr h VAL 80 N 0.35 1.36 0.00 2.39 3.04 -1.35 -3.04 116.25 118.99 1idr h VAL 80 Ca 0.10 -1.75 0.00 0.00 -1.01 0.00 0.00 66.70 64.05 1idr h VAL 80 Cb 0.23 1.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 1idr h VAL 80 CO -0.00 0.51 -0.63 1.41 -1.01 0.00 0.00 177.57 177.84 1idr n HIS 81 N -3.94 0.02 -1.72 3.17 8.25 -0.90 -4.97 115.22 115.14 1idr n HIS 81 Ca -0.02 0.01 -0.40 0.00 -0.26 0.00 0.00 57.72 57.05 1idr n HIS 81 Cb 0.53 -0.21 0.02 0.00 1.12 0.00 0.00 29.99 31.45 1idr n HIS 81 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1idr n GLN 82 N -1.53 1.90 -1.68 -0.41 7.27 -0.33 -3.01 117.38 119.58 1idr n GLN 82 Ca 0.05 0.68 -0.10 0.00 0.07 0.00 0.00 57.00 57.70 1idr n GLN 82 Cb 0.34 -2.46 -0.03 0.00 2.41 0.00 0.00 30.24 30.50 1idr n GLN 82 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1idr n GLY 83 N 0.78 0.66 0.13 1.69 0.00 -1.26 -4.89 105.19 102.30 1idr n GLY 83 Ca 0.07 -0.51 0.04 0.00 0.00 0.00 0.00 46.02 45.63 1idr n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1idr n ARG 84 N -2.41 2.87 -2.35 1.61 1.74 -1.16 -5.01 116.66 111.95 1idr n ARG 84 Ca -0.11 -0.38 -0.18 0.00 -0.77 0.00 0.00 57.85 56.41 1idr n ARG 84 Cb 0.45 -0.98 -0.01 0.00 -1.02 0.00 0.00 32.46 30.91 1idr n ARG 84 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1idr n GLY 85 N 0.92 -0.36 3.73 -0.13 0.00 -1.26 -4.96 105.19 103.13 1idr n GLY 85 Ca 0.03 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1idr n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1idr s ILE 86 N -2.89 3.24 0.56 -0.61 1.01 -1.26 -5.03 121.20 116.22 1idr s ILE 86 Ca 0.00 0.98 0.08 0.00 0.00 0.00 0.00 60.65 61.72 1idr s ILE 86 Cb -0.00 -3.63 0.07 0.00 0.01 0.00 0.00 42.46 38.91 1idr s ILE 86 CO 0.01 0.13 0.65 0.42 0.00 0.00 0.00 174.94 176.15 1idr s THR 87 N 0.36 2.00 0.35 2.92 -4.23 -1.26 -4.59 115.64 111.20 1idr s THR 87 Ca 0.59 -1.17 0.13 0.00 -1.18 0.00 0.00 61.69 60.06 1idr s THR 87 Cb -0.37 -2.17 0.09 0.00 1.34 0.00 0.00 72.50 71.39 1idr s THR 87 CO 0.36 0.00 1.80 0.24 -0.54 0.00 0.00 174.62 176.49 1idr h MET 88 N 0.39 0.00 -0.31 3.99 2.86 -1.97 -2.03 114.93 117.85 1idr h MET 88 Ca -0.32 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.34 1idr h MET 88 Cb 1.29 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.93 1idr h MET 88 CO 0.46 0.39 0.15 1.25 1.06 0.00 0.00 176.91 180.23 1idr h HIS 89 N 0.00 0.28 -0.29 -0.22 -0.00 -1.99 -0.81 115.15 112.12 1idr h HIS 89 Ca -0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.34 1idr h HIS 89 Cb 0.71 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 28.03 1idr h HIS 89 CO 0.00 0.15 0.03 0.45 -0.00 0.00 0.00 177.93 178.56 1idr h HIS 90 N 0.32 0.52 -0.72 5.26 -0.00 -1.85 -1.90 115.15 116.78 1idr h HIS 90 Ca 0.13 -0.08 0.02 0.00 -0.00 0.00 0.00 60.37 60.44 1idr h HIS 90 Cb 0.05 -0.14 -0.04 0.00 -0.00 0.00 0.00 27.41 27.28 1idr h HIS 90 CO -0.10 0.60 0.46 0.35 -0.00 0.00 0.00 177.93 179.25 1idr h PHE 91 N 0.29 0.87 -0.21 2.45 3.57 -1.15 -1.75 116.94 121.01 1idr h PHE 91 Ca 0.08 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1idr h PHE 91 Cb 0.38 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1idr h PHE 91 CO 0.03 0.51 0.10 0.77 -2.23 0.00 0.00 178.31 177.50 1idr h SER 92 N 0.92 0.27 -0.55 0.41 0.02 -1.00 0.59 113.55 114.20 1idr h SER 92 Ca 0.28 -0.11 0.11 0.00 -0.84 0.00 0.00 61.79 61.23 1idr h SER 92 Cb -0.02 -0.07 -0.09 0.00 0.14 0.00 0.00 62.40 62.36 1idr h SER 92 CO -0.09 0.30 0.03 -0.07 -1.14 0.00 0.00 176.83 175.86 1idr h LEU 93 N 0.21 -0.17 -0.57 5.07 4.07 -1.13 0.09 115.31 122.87 1idr h LEU 93 Ca 0.07 0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.15 1idr h LEU 93 Cb 0.10 0.21 -0.03 0.00 1.08 0.00 0.00 40.66 42.02 1idr h LEU 93 CO -0.01 -0.06 0.33 0.58 -1.08 0.00 0.00 178.44 178.20 1idr h VAL 94 N 0.15 1.18 -0.40 1.22 2.07 -1.09 0.61 116.25 120.00 1idr h VAL 94 Ca 0.28 -0.44 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 1idr h VAL 94 Cb 0.43 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1idr h VAL 94 CO -0.43 0.19 -0.16 0.00 0.02 0.00 0.00 177.57 177.19 1idr h ALA 95 N 1.16 0.97 -0.65 1.67 0.00 -0.63 -0.35 119.26 121.43 1idr h ALA 95 Ca 0.20 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1idr h ALA 95 Cb 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1idr h ALA 95 CO -0.04 0.61 0.33 0.78 0.00 0.00 0.00 179.25 180.93 1idr h GLY 96 N 0.97 0.99 1.62 0.00 0.00 -0.67 0.35 103.07 106.34 1idr h GLY 96 Ca 0.11 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 1idr h GLY 96 CO 0.05 0.46 -0.13 0.45 0.00 0.00 0.00 176.54 177.36 1idr h HIS 97 N 0.89 0.50 -0.25 5.60 3.86 -0.17 -1.05 115.15 124.53 1idr h HIS 97 Ca 0.22 -0.07 -0.07 0.00 -1.16 0.00 0.00 60.37 59.29 1idr h HIS 97 Cb 0.09 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1idr h HIS 97 CO -0.00 0.58 -0.11 1.25 0.86 0.00 0.00 177.93 180.51 1idr h LEU 98 N 0.43 0.53 -1.28 2.43 5.85 -0.63 -1.60 115.31 121.05 1idr h LEU 98 Ca 0.08 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.42 1idr h LEU 98 Cb 0.48 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1idr h LEU 98 CO 0.03 0.81 0.49 0.00 -0.34 0.00 0.00 178.44 179.43 1idr h ALA 99 N 0.74 1.51 -0.57 1.25 0.00 -0.63 -1.35 119.26 120.21 1idr h ALA 99 Ca 0.06 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1idr h ALA 99 Cb 0.60 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1idr h ALA 99 CO 0.03 0.43 -0.01 -0.44 0.00 0.00 0.00 179.25 179.26 1idr h ASP 100 N 0.96 0.97 -0.46 0.00 3.32 -0.96 -0.98 116.42 119.27 1idr h ASP 100 Ca 0.29 -0.27 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 1idr h ASP 100 Cb -0.03 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 1idr h ASP 100 CO -0.07 1.03 -0.19 0.00 -1.72 0.00 0.00 179.24 178.29 1idr h ALA 101 N 1.07 0.64 -0.57 3.45 0.00 -0.77 -0.67 119.26 122.40 1idr h ALA 101 Ca 0.16 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1idr h ALA 101 Cb 0.55 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1idr h ALA 101 CO 0.03 0.61 0.03 -0.07 0.00 0.00 0.00 179.25 179.84 1idr h LEU 102 N 0.78 0.94 -0.18 0.00 3.38 -1.14 -1.21 115.31 117.88 1idr h LEU 102 Ca 0.11 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1idr h LEU 102 Cb 0.76 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1idr h LEU 102 CO 0.06 0.98 0.09 0.74 0.09 0.00 0.00 178.44 180.40 1idr h THR 103 N 0.90 1.13 -0.03 0.22 2.02 -1.01 -1.57 112.91 114.57 1idr h THR 103 Ca 0.17 -0.39 0.01 0.00 0.77 0.00 0.00 66.41 66.97 1idr h THR 103 Cb 0.49 1.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1idr h THR 103 CO 0.02 0.13 0.03 0.00 0.37 0.00 0.00 175.52 176.07 1idr h ALA 104 N 0.95 1.75 -0.00 6.16 0.00 -0.90 -0.97 119.26 126.25 1idr h ALA 104 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1idr h ALA 104 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1idr h ALA 104 CO -0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 179.25 179.13 1idr n ALA 105 N -2.41 2.67 -0.71 0.00 0.00 -0.48 -4.91 120.51 114.66 1idr n ALA 105 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1idr n ALA 105 Cb 0.12 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1idr n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1idr n GLY 106 N 1.26 0.63 3.67 0.00 0.00 -0.37 -5.02 105.19 105.36 1idr n GLY 106 Ca 0.15 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1idr n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1idr s VAL 107 N -2.00 3.69 0.53 1.61 1.01 -0.88 -4.96 120.40 119.40 1idr s VAL 107 Ca 0.00 0.95 -0.19 0.00 0.00 0.00 0.00 61.98 62.74 1idr s VAL 107 Cb 0.00 -3.61 -0.11 0.00 0.00 0.00 0.00 36.38 32.66 1idr s VAL 107 CO 0.00 -0.05 0.38 -2.65 0.00 0.00 0.00 175.10 172.78 1idr n PRO 108 N 6.34 0.40 -0.31 2.72 -0.02 -1.26 -4.60 135.00 138.26 1idr n PRO 108 Ca 0.15 0.15 -0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1idr n PRO 108 Cb 0.43 -1.51 0.13 0.00 -0.02 0.00 0.00 33.50 32.53 1idr n PRO 108 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1idr h SER 109 N 0.25 0.86 -0.44 2.55 0.02 -1.98 -2.42 113.55 112.39 1idr h SER 109 Ca -0.44 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1idr h SER 109 Cb 1.41 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 1idr h SER 109 CO 0.46 0.57 0.27 -0.33 -1.14 0.00 0.00 176.83 176.66 1idr h GLU 110 N 1.00 0.61 0.06 3.45 5.08 -2.00 -0.78 114.58 122.01 1idr h GLU 110 Ca 0.36 -0.05 -0.24 0.00 -1.00 0.00 0.00 59.36 58.43 1idr h GLU 110 Cb 0.11 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1idr h GLU 110 CO -0.15 0.44 -1.08 1.15 -1.00 0.00 0.00 179.01 178.37 1idr h THR 111 N 0.63 1.53 -0.91 1.13 2.02 -1.80 -2.08 112.91 113.43 1idr h THR 111 Ca 0.16 -2.95 0.02 0.00 0.77 0.00 0.00 66.41 64.42 1idr h THR 111 Cb -0.01 2.75 -0.05 0.00 -1.74 0.00 0.00 68.15 69.10 1idr h THR 111 CO -0.03 0.86 0.60 0.40 0.37 0.00 0.00 175.52 177.71 1idr h ILE 112 N 0.09 1.20 -0.25 3.11 2.04 -1.01 0.98 117.51 123.67 1idr h ILE 112 Ca -0.08 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.38 1idr h ILE 112 Cb 1.78 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1idr h ILE 112 CO 0.17 0.22 0.14 0.74 0.00 0.00 0.00 178.15 179.41 1idr h THR 113 N 1.19 1.01 -0.19 -0.27 2.02 -1.04 0.35 112.91 115.98 1idr h THR 113 Ca 0.35 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.45 1idr h THR 113 Cb -0.08 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1idr h THR 113 CO -0.09 0.05 0.04 -0.08 0.37 0.00 0.00 175.52 175.81 1idr h GLU 114 N 0.29 0.11 -0.33 6.66 4.81 -0.85 -1.71 114.58 123.55 1idr h GLU 114 Ca 0.10 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 1idr h GLU 114 Cb 0.01 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 1idr h GLU 114 CO -0.06 0.07 -0.01 0.82 -0.73 0.00 0.00 179.01 179.11 1idr h ILE 115 N 0.12 0.74 -0.09 2.32 2.04 -0.53 -2.05 117.51 120.06 1idr h ILE 115 Ca 0.08 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.94 1idr h ILE 115 Cb 0.08 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1idr h ILE 115 CO -0.11 0.01 0.06 -0.07 0.00 0.00 0.00 178.15 178.05 1idr h LEU 116 N 0.08 0.00 -1.14 1.44 3.38 -0.55 -0.58 115.31 117.93 1idr h LEU 116 Ca 0.16 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1idr h LEU 116 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1idr h LEU 116 CO -0.28 0.00 -0.36 1.23 0.09 0.00 0.00 178.44 179.12 1idr h GLY 117 N 0.00 0.00 1.27 0.83 0.00 -0.61 0.45 103.07 105.00 1idr h GLY 117 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.05 1idr h GLY 117 CO -0.00 0.00 -1.50 -2.08 0.00 0.00 0.00 176.54 172.96 1idr h VAL 118 N 0.00 1.22 -0.02 4.60 2.07 -0.82 -3.38 116.25 119.91 1idr h VAL 118 Ca -0.00 -2.77 -0.09 0.00 0.82 0.00 0.00 66.70 64.65 1idr h VAL 118 Cb 0.77 2.88 0.01 0.00 -1.52 0.00 0.00 31.29 33.43 1idr h VAL 118 CO 0.05 0.84 -0.34 0.40 0.02 0.00 0.00 177.57 178.53 1idr h ILE 119 N 0.10 1.48 -0.91 4.57 1.08 -0.74 -3.38 117.51 119.71 1idr h ILE 119 Ca -0.24 -1.89 0.21 0.00 -0.39 0.00 0.00 64.86 62.54 1idr h ILE 119 Cb 2.07 2.58 -0.12 0.00 -3.07 0.00 0.00 36.82 38.28 1idr h ILE 119 CO 0.21 0.53 0.45 0.00 -0.69 0.00 0.00 178.15 178.65 1idr h ALA 120 N 0.33 1.48 0.00 1.87 0.00 -0.30 0.17 119.26 122.81 1idr h ALA 120 Ca -0.04 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1idr h ALA 120 Cb 1.05 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1idr h ALA 120 CO 0.07 -0.26 0.00 -2.30 0.00 0.00 0.00 179.25 176.76 1idr n PRO 121 N -4.96 0.07 0.02 0.00 -0.02 -1.26 -1.42 135.00 127.43 1idr n PRO 121 Ca 0.22 0.46 0.12 0.00 -2.02 0.00 0.00 63.50 62.29 1idr n PRO 121 Cb 0.62 -1.68 0.53 0.00 -0.02 0.00 0.00 33.50 32.94 1idr n PRO 121 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1idr n LEU 122 N -1.83 0.14 0.24 2.45 4.77 0.05 -3.28 117.00 119.55 1idr n LEU 122 Ca 0.01 0.52 0.13 0.00 -0.03 0.00 0.00 56.01 56.64 1idr n LEU 122 Cb 0.09 -0.48 0.77 0.00 -2.33 0.00 0.00 43.42 41.47 1idr n LEU 122 CO 0.09 -0.09 1.11 0.00 -1.33 0.00 0.00 177.39 177.17 1idr h ALA 123 N 2.81 1.85 -0.33 -1.18 0.00 -1.39 -0.48 119.26 120.53 1idr h ALA 123 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1idr h ALA 123 Cb 0.48 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1idr h ALA 123 CO 0.00 -0.11 -0.02 -0.39 0.00 0.00 0.00 179.25 178.74 1idr h VAL 124 N 0.00 1.20 0.17 0.00 -1.51 -1.79 -0.66 116.25 113.66 1idr h VAL 124 Ca 0.04 -0.80 -0.33 0.00 -1.23 0.00 0.00 66.70 64.37 1idr h VAL 124 Cb 0.17 0.97 0.01 0.00 -2.13 0.00 0.00 31.29 30.31 1idr h VAL 124 CO -0.00 0.27 -1.63 0.44 -1.23 0.00 0.00 177.57 175.43 1idr h ASP 125 N 0.49 0.55 0.68 4.19 3.32 -1.38 -3.37 116.42 120.92 1idr h ASP 125 Ca 0.10 -0.77 -0.15 0.00 0.02 0.00 0.00 57.03 56.24 1idr h ASP 125 Cb 0.35 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1idr h ASP 125 CO 0.01 1.64 -0.70 0.58 -1.72 0.00 0.00 179.24 179.06 1idr h VAL 126 N 0.10 1.50 -0.02 -1.35 2.07 -1.05 -3.37 116.25 114.12 1idr h VAL 126 Ca -0.29 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 64.85 1idr h VAL 126 Cb 2.08 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 34.13 1idr h VAL 126 CO 0.18 0.68 0.00 0.35 0.02 0.00 0.00 177.57 178.80