#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 0.15 -0.33 0.99 5.85 -2.00 -1.38 115.31 118.59 1idr h LEU 3 Ca 0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 1idr h LEU 3 Cb 0.00 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1idr h LEU 3 CO 0.00 0.10 -0.45 -0.07 -0.34 0.00 0.00 178.44 177.68 1idr h LEU 4 N 0.18 0.98 -0.49 2.25 3.38 -2.03 -0.91 115.31 118.67 1idr h LEU 4 Ca 0.18 -0.50 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 1idr h LEU 4 Cb 0.47 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1idr h LEU 4 CO -0.03 1.28 -0.00 -1.28 0.09 0.00 0.00 178.44 178.50 1idr h SER 5 N 0.70 0.85 -0.67 -0.43 0.87 -1.77 -2.02 113.55 111.08 1idr h SER 5 Ca 0.04 -0.31 0.03 0.00 -1.23 0.00 0.00 61.79 60.32 1idr h SER 5 Cb 1.05 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.74 1idr h SER 5 CO 0.11 0.95 0.41 0.03 -0.53 0.00 0.00 176.83 177.80 1idr h ARG 6 N 0.72 0.79 -0.53 2.24 3.08 -0.91 -2.41 114.38 117.36 1idr h ARG 6 Ca 0.14 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 1idr h ARG 6 Cb 0.52 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1idr h ARG 6 CO 0.03 0.52 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.37 1idr h LEU 7 N 0.81 0.87 -2.78 3.04 3.38 -0.86 -1.62 115.31 118.15 1idr h LEU 7 Ca 0.27 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1idr h LEU 7 Cb 0.02 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1idr h LEU 7 CO -0.11 0.94 -0.00 0.03 0.09 0.00 0.00 178.44 179.39 1idr h ARG 8 N 0.83 0.00 -0.52 1.13 3.08 -0.89 0.20 114.38 118.22 1idr h ARG 8 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1idr h ARG 8 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1idr h ARG 8 CO 0.02 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.56 1idr n LYS 9 N -3.20 2.46 -3.04 0.04 4.76 -0.72 -4.95 118.16 113.51 1idr n LYS 9 Ca -0.03 -2.24 -0.22 0.00 -2.87 0.00 0.00 58.31 52.96 1idr n LYS 9 Cb 0.10 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.80 1idr n LYS 9 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1idr n ARG 10 N 1.36 -4.30 -3.31 1.97 1.74 0.72 -4.98 116.66 109.86 1idr n ARG 10 Ca 0.21 0.81 -0.38 0.00 -0.77 0.00 0.00 57.85 57.71 1idr n ARG 10 Cb 0.56 -5.62 -0.06 0.00 -1.02 0.00 0.00 32.46 26.32 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 -5.72 4.19 0.53 5.56 2.02 -0.69 -5.03 118.70 119.56 1idr s GLU 11 Ca 0.30 0.63 -0.21 0.00 0.02 0.00 0.00 54.97 55.70 1idr s GLU 11 Cb -0.14 -3.29 -0.05 0.00 0.10 0.00 0.00 34.13 30.75 1idr s GLU 11 CO 0.37 0.51 1.26 -1.25 0.02 0.00 0.00 175.26 176.17 1idr s PRO 12 N -0.61 3.30 -0.01 0.39 0.04 -1.26 -4.46 135.00 132.39 1idr s PRO 12 Ca 0.28 1.99 -0.30 0.00 0.04 0.00 0.00 61.00 63.01 1idr s PRO 12 Cb -0.18 -2.23 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 1idr s PRO 12 CO 0.16 -0.98 1.35 0.42 0.04 0.00 0.00 177.00 177.99 1idr s ILE 13 N -1.44 3.85 0.87 0.56 1.01 -1.26 -5.01 121.20 119.78 1idr s ILE 13 Ca 0.70 1.22 -0.12 0.00 0.00 0.00 0.00 60.65 62.45 1idr s ILE 13 Cb -0.34 -3.78 0.11 0.00 0.01 0.00 0.00 42.46 38.46 1idr s ILE 13 CO 0.40 -0.00 1.11 -0.94 0.00 0.00 0.00 174.94 175.51 1idr s SER 14 N 1.78 3.81 0.08 3.58 1.04 -1.26 -4.88 113.70 117.85 1idr s SER 14 Ca 0.62 1.21 -0.27 0.00 0.48 0.00 0.00 55.95 57.99 1idr s SER 14 Cb -0.30 -1.88 -0.16 0.00 0.10 0.00 0.00 66.02 63.78 1idr s SER 14 CO 0.25 -2.39 1.69 0.40 0.98 0.00 0.00 173.24 174.17 1idr h ILE 15 N -1.38 0.76 -0.92 -1.02 2.04 -1.93 -0.95 117.51 114.10 1idr h ILE 15 Ca -0.49 -0.01 0.17 0.00 1.00 0.00 0.00 64.86 65.53 1idr h ILE 15 Cb 1.30 0.76 -0.16 0.00 -0.74 0.00 0.00 36.82 37.97 1idr h ILE 15 CO 0.59 0.00 -0.28 0.00 0.00 0.00 0.00 178.15 178.47 1idr n TYR 16 N -5.23 0.22 -0.06 1.37 9.36 -0.26 -1.51 117.16 121.05 1idr n TYR 16 Ca -0.09 1.12 -0.16 0.00 3.32 0.00 0.00 57.90 62.09 1idr n TYR 16 Cb 0.16 -0.96 -0.05 0.00 -0.63 0.00 0.00 39.34 37.85 1idr n TYR 16 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1idr h ASP 17 N 0.00 0.92 1.18 2.98 3.45 -1.72 0.45 116.42 123.68 1idr h ASP 17 Ca 0.40 -0.56 -0.03 0.00 0.43 0.00 0.00 57.03 57.26 1idr h ASP 17 Cb 0.62 -0.27 -0.00 0.00 -0.56 0.00 0.00 39.33 39.12 1idr h ASP 17 CO -0.93 1.32 -0.13 0.07 -1.57 0.00 0.00 179.24 178.00 1idr h LYS 18 N 0.56 0.00 -0.17 3.56 2.10 -0.37 -2.66 116.57 119.59 1idr h LYS 18 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1idr h LYS 18 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1idr h LYS 18 CO 0.13 0.13 0.00 0.44 -2.00 0.00 0.00 179.45 178.14 1idr n ILE 19 N -3.22 0.21 0.00 0.07 -5.35 -0.57 -4.93 119.36 105.57 1idr n ILE 19 Ca 0.01 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 1idr n ILE 19 Cb 0.42 0.76 0.00 0.00 -1.74 0.00 0.00 39.64 39.08 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 1.28 1.37 7.00 3.28 0.00 -1.00 -4.68 105.19 112.43 1idr n GLY 20 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.16 0.86 0.26 -0.02 0.00 0.16 -3.02 105.19 102.27 1idr n GLY 21 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.63 -0.76 1.61 2.76 -1.97 -1.18 115.15 116.23 1idr h HIS 22 Ca 0.00 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 1idr h HIS 22 Cb 0.00 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 28.74 1idr h HIS 22 CO 0.00 0.26 0.43 0.93 -1.30 0.00 0.00 177.93 178.25 1idr h GLU 23 N 0.62 1.05 -0.60 5.26 5.08 -1.99 -0.99 114.58 123.02 1idr h GLU 23 Ca 0.32 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1idr h GLU 23 Cb 0.29 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1idr h GLU 23 CO -0.24 0.77 0.27 0.00 -1.00 0.00 0.00 179.01 178.81 1idr h ALA 24 N 1.22 0.77 -0.59 3.43 0.00 -1.15 -2.62 119.26 120.33 1idr h ALA 24 Ca 0.27 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1idr h ALA 24 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1idr h ALA 24 CO -0.05 0.36 0.03 0.82 0.00 0.00 0.00 179.25 180.41 1idr h ILE 25 N 0.82 1.26 -0.46 0.00 2.04 -1.01 -1.35 117.51 118.81 1idr h ILE 25 Ca 0.20 -1.10 0.04 0.00 1.00 0.00 0.00 64.86 65.00 1idr h ILE 25 Cb 0.16 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 1idr h ILE 25 CO -0.02 0.40 0.24 -0.33 0.00 0.00 0.00 178.15 178.44 1idr h GLU 26 N 0.92 0.47 -0.28 2.37 5.08 -1.05 0.22 114.58 122.31 1idr h GLU 26 Ca 0.17 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1idr h GLU 26 Cb 0.51 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1idr h GLU 26 CO 0.02 0.31 0.07 0.28 -1.00 0.00 0.00 179.01 178.70 1idr h VAL 27 N 0.48 1.21 -0.08 3.13 2.07 -1.10 -1.42 116.25 120.53 1idr h VAL 27 Ca 0.20 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 67.06 1idr h VAL 27 Cb 0.09 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1idr h VAL 27 CO -0.13 0.23 -0.08 0.58 0.02 0.00 0.00 177.57 178.19 1idr h VAL 28 N 0.29 0.77 -0.58 2.57 2.07 -1.05 -1.94 116.25 118.38 1idr h VAL 28 Ca 0.09 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1idr h VAL 28 Cb 0.27 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1idr h VAL 28 CO -0.00 0.00 0.22 0.58 0.02 0.00 0.00 177.57 178.39 1idr h VAL 29 N -0.10 1.21 -0.13 2.57 2.07 -0.77 0.34 116.25 121.43 1idr h VAL 29 Ca 0.06 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 1idr h VAL 29 Cb 0.19 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1idr h VAL 29 CO -0.14 0.27 0.07 -0.08 0.02 0.00 0.00 177.57 177.70 1idr h GLU 30 N 0.84 0.19 -0.68 1.57 4.57 -1.12 -2.44 114.58 117.51 1idr h GLU 30 Ca 0.20 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.28 1idr h GLU 30 Cb 0.18 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 1idr h GLU 30 CO -0.02 0.24 0.13 0.22 -1.18 0.00 0.00 179.01 178.41 1idr h ASP 31 N 0.10 1.05 -0.36 1.04 3.58 -0.83 -2.92 116.42 118.09 1idr h ASP 31 Ca 0.05 -0.24 0.08 0.00 0.42 0.00 0.00 57.03 57.33 1idr h ASP 31 Cb 0.11 -0.28 -0.08 0.00 1.72 0.00 0.00 39.33 40.81 1idr h ASP 31 CO -0.01 1.03 -0.18 0.15 -2.88 0.00 0.00 179.24 177.35 1idr h PHE 32 N 1.04 -0.46 0.00 0.28 3.57 -0.19 -2.01 116.94 119.18 1idr h PHE 32 Ca 0.21 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.66 1idr h PHE 32 Cb 0.41 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1idr h PHE 32 CO 0.03 -0.26 -0.45 1.88 -2.23 0.00 0.00 178.31 177.28 1idr h TYR 33 N -0.12 0.00 -0.12 0.41 -1.99 -1.38 -0.36 116.97 113.40 1idr h TYR 33 Ca 0.18 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.93 1idr h TYR 33 Cb 0.40 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.11 1idr h TYR 33 CO -0.40 0.45 0.00 0.28 -0.00 0.00 0.00 178.16 178.49 1idr h VAL 34 N 0.00 0.92 -0.23 -2.88 2.07 -1.29 -0.42 116.25 114.42 1idr h VAL 34 Ca -0.00 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1idr h VAL 34 Cb 1.05 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1idr h VAL 34 CO 0.06 0.01 0.14 0.03 0.02 0.00 0.00 177.57 177.83 1idr h ARG 35 N 0.05 0.29 -0.52 1.57 3.08 -0.80 -2.37 114.38 115.67 1idr h ARG 35 Ca 0.06 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1idr h ARG 35 Cb 0.06 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1idr h ARG 35 CO -0.09 0.19 0.20 0.28 -1.07 0.00 0.00 179.97 179.48 1idr h VAL 36 N 0.30 1.22 0.00 2.04 2.07 -0.94 -2.57 116.25 118.37 1idr h VAL 36 Ca 0.09 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1idr h VAL 36 Cb -0.02 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1idr h VAL 36 CO -0.03 0.26 0.00 -0.07 0.02 0.00 0.00 177.57 177.75 1idr h LEU 37 N 0.70 0.00 -0.14 2.57 3.38 -0.96 -2.48 115.31 118.37 1idr h LEU 37 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1idr h LEU 37 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1idr h LEU 37 CO -0.01 0.00 -0.51 0.00 0.09 0.00 0.00 178.44 178.01 1idr n ALA 38 N -1.94 3.60 -2.56 1.53 0.00 -0.90 -4.60 120.51 115.63 1idr n ALA 38 Ca 0.01 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 1idr n ALA 38 Cb 0.26 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.87 6.46 0.48 0.00 3.68 -0.93 -4.92 116.67 118.57 1idr s ASP 39 Ca 0.14 0.10 0.33 0.00 2.13 0.00 0.00 52.55 55.25 1idr s ASP 39 Cb 0.18 -2.37 1.62 0.00 -1.45 0.00 0.00 42.92 40.90 1idr s ASP 39 CO 0.68 -0.77 1.99 -2.24 0.13 0.00 0.00 175.17 174.96 1idr h ASP 40 N 8.68 0.00 0.95 -0.34 -0.00 -1.86 -0.61 116.42 123.25 1idr h ASP 40 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.78 1idr h ASP 40 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.42 1idr h ASP 40 CO 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 180.15 1idr n GLN 41 N -2.72 0.08 0.00 4.15 1.13 -1.26 -4.40 117.38 114.36 1idr n GLN 41 Ca -0.01 0.16 0.00 0.00 -1.94 0.00 0.00 57.00 55.21 1idr n GLN 41 Cb 0.14 -1.62 0.00 0.00 0.11 0.00 0.00 30.24 28.87 1idr n GLN 41 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1idr n LEU 42 N -1.77 0.45 -0.34 1.08 4.77 -0.37 -4.87 117.00 115.96 1idr n LEU 42 Ca 0.05 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.12 1idr n LEU 42 Cb 0.31 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.68 1idr n LEU 42 CO 0.24 0.07 1.23 0.77 -1.33 0.00 0.00 177.39 178.37 1idr h SER 43 N 0.00 0.85 0.02 -1.43 4.64 -1.31 -2.19 113.55 114.12 1idr h SER 43 Ca 0.00 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1idr h SER 43 Cb 0.83 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1idr h SER 43 CO 0.00 0.43 -0.01 0.00 -0.87 0.00 0.00 176.83 176.38 1idr h ALA 44 N 1.57 1.54 0.00 5.18 0.00 -1.86 -1.30 119.26 124.38 1idr h ALA 44 Ca 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 1idr h ALA 44 Cb 0.59 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1idr h ALA 44 CO -0.26 0.01 -0.04 0.74 0.00 0.00 0.00 179.25 179.69 1idr h PHE 45 N 0.00 0.00 -0.40 0.00 -1.00 -1.76 -2.83 116.94 110.95 1idr h PHE 45 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1idr h PHE 45 Cb 0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.58 1idr h PHE 45 CO 0.00 0.04 0.00 1.19 -1.61 0.00 0.00 178.31 177.93 1idr n PHE 46 N -3.44 0.53 -0.33 -0.55 3.01 -0.49 -4.62 117.46 111.57 1idr n PHE 46 Ca -0.02 -0.39 0.17 0.00 1.01 0.00 0.00 57.45 58.21 1idr n PHE 46 Cb 0.16 -0.01 0.40 0.00 -0.01 0.00 0.00 39.48 40.02 1idr n PHE 46 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1idr h SER 47 N 3.01 0.65 -0.52 4.37 0.87 -1.54 -1.25 113.55 119.13 1idr h SER 47 Ca 0.00 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1idr h SER 47 Cb 0.80 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1idr h SER 47 CO 0.00 0.19 0.00 0.61 -0.53 0.00 0.00 176.83 177.10 1idr n GLY 48 N -1.38 2.19 3.75 5.77 0.00 -1.26 -5.00 105.19 109.26 1idr n GLY 48 Ca 0.24 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 1idr n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1idr s THR 49 N -1.78 4.94 -0.77 2.61 2.01 -0.47 -5.04 115.64 117.13 1idr s THR 49 Ca 0.41 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 62.15 1idr s THR 49 Cb 0.26 -3.15 0.03 0.00 0.01 0.00 0.00 72.50 69.65 1idr s THR 49 CO 0.20 0.57 1.33 0.21 -0.69 0.00 0.00 174.62 176.24 1idr s ASN 50 N -0.60 6.17 0.38 3.53 3.84 -1.26 -4.87 114.94 122.13 1idr s ASN 50 Ca 0.11 -0.56 0.06 0.00 0.21 0.00 0.00 52.86 52.68 1idr s ASN 50 Cb -0.12 -2.56 0.76 0.00 -0.55 0.00 0.00 41.25 38.78 1idr s ASN 50 CO 0.02 -1.82 1.98 0.24 -2.79 0.00 0.00 177.10 174.74 1idr h MET 51 N 10.20 0.52 -0.61 0.43 2.86 -1.96 -2.13 114.93 124.24 1idr h MET 51 Ca -0.21 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.39 1idr h MET 51 Cb 1.05 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.57 1idr h MET 51 CO 1.30 0.43 0.38 0.77 1.06 0.00 0.00 176.91 180.85 1idr h SER 52 N 0.53 0.61 -0.06 1.22 0.02 -1.99 0.62 113.55 114.50 1idr h SER 52 Ca 0.13 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1idr h SER 52 Cb 0.10 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 1idr h SER 52 CO -0.01 0.43 -0.02 -0.09 -1.14 0.00 0.00 176.83 176.00 1idr h ARG 53 N 0.74 0.12 0.26 3.45 2.43 -1.87 -1.97 114.38 117.55 1idr h ARG 53 Ca 0.25 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1idr h ARG 53 Cb 0.02 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1idr h ARG 53 CO -0.10 0.46 -0.44 1.25 -1.51 0.00 0.00 179.97 179.63 1idr h LEU 54 N -0.22 -1.27 -1.11 3.80 5.85 -1.29 -0.33 115.31 120.75 1idr h LEU 54 Ca 0.02 0.12 0.24 0.00 0.84 0.00 0.00 57.88 59.10 1idr h LEU 54 Cb 0.42 0.44 -0.11 0.00 0.37 0.00 0.00 40.66 41.78 1idr h LEU 54 CO 0.01 -0.52 0.62 0.11 -0.34 0.00 0.00 178.44 178.32 1idr h LYS 55 N -0.75 0.54 -0.10 1.25 1.57 -0.91 0.21 116.57 118.38 1idr h LYS 55 Ca -0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1idr h LYS 55 Cb 0.69 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1idr h LYS 55 CO -0.15 0.36 0.07 0.78 -0.57 0.00 0.00 179.45 179.93 1idr h GLY 56 N 0.56 0.14 1.40 3.86 0.00 -0.52 -1.70 103.07 106.82 1idr h GLY 56 Ca 0.62 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.87 1idr h GLY 56 CO -0.41 0.05 0.21 0.50 0.00 0.00 0.00 176.54 176.90 1idr h LYS 57 N 0.13 0.77 -0.17 4.80 1.79 0.66 -2.91 116.57 121.64 1idr h LYS 57 Ca 0.04 -0.11 -0.12 0.00 -2.18 0.00 0.00 60.65 58.27 1idr h LYS 57 Cb -0.01 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.49 1idr h LYS 57 CO -0.01 0.63 -0.42 0.37 -1.08 0.00 0.00 179.45 178.94 1idr h GLN 58 N 0.76 0.41 -0.58 3.15 5.75 -0.40 0.25 115.11 124.45 1idr h GLN 58 Ca 0.18 -0.21 -0.04 0.00 -0.15 0.00 0.00 58.65 58.44 1idr h GLN 58 Cb 0.15 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 1idr h GLN 58 CO -0.02 0.76 0.21 0.28 -2.65 0.00 0.00 178.83 177.42 1idr h VAL 59 N 0.34 1.23 0.05 2.39 2.07 -1.23 0.91 116.25 122.00 1idr h VAL 59 Ca 0.03 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1idr h VAL 59 Cb 0.89 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1idr h VAL 59 CO 0.07 0.29 -0.02 -0.33 0.02 0.00 0.00 177.57 177.60 1idr h GLU 60 N 0.81 -0.06 -0.26 1.57 5.08 -1.30 -0.92 114.58 119.49 1idr h GLU 60 Ca 0.19 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 1idr h GLU 60 Cb 0.23 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1idr h GLU 60 CO -0.01 0.25 -0.07 0.35 -1.00 0.00 0.00 179.01 178.52 1idr h PHE 61 N -0.38 -0.16 -0.35 4.33 3.57 -0.79 -1.67 116.94 121.49 1idr h PHE 61 Ca -0.01 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 1idr h PHE 61 Cb 0.34 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1idr h PHE 61 CO 0.03 -0.12 -0.07 0.35 -2.23 0.00 0.00 178.31 176.26 1idr h PHE 62 N -0.01 0.75 -0.28 0.41 3.57 -0.82 -0.73 116.94 119.84 1idr h PHE 62 Ca 0.13 -0.16 0.04 0.00 3.53 0.00 0.00 57.97 61.51 1idr h PHE 62 Cb 0.21 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 1idr h PHE 62 CO -0.27 0.82 0.04 0.00 -2.23 0.00 0.00 178.31 176.68 1idr h ALA 63 N 0.82 0.28 -0.38 2.41 0.00 -1.08 -1.85 119.26 119.46 1idr h ALA 63 Ca 0.09 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1idr h ALA 63 Cb 0.57 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1idr h ALA 63 CO 0.03 -0.37 -0.13 0.00 0.00 0.00 0.00 179.25 178.79 1idr h ALA 64 N 1.21 1.07 -0.24 0.00 0.00 -1.06 0.36 119.26 120.60 1idr h ALA 64 Ca 0.13 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1idr h ALA 64 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1idr h ALA 64 CO -0.18 0.57 -0.07 0.00 0.00 0.00 0.00 179.25 179.57 1idr h ALA 65 N 1.24 1.43 -0.63 0.00 0.00 -0.78 -2.47 119.26 118.05 1idr h ALA 65 Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1idr h ALA 65 Cb 0.57 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1idr h ALA 65 CO 0.04 0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.96 1idr n LEU 66 N -4.27 3.80 0.00 0.00 4.77 -0.73 -4.96 117.00 115.61 1idr n LEU 66 Ca 0.00 -1.85 0.00 0.00 -0.03 0.00 0.00 56.01 54.13 1idr n LEU 66 Cb 0.26 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1idr n LEU 66 CO 0.38 0.91 0.00 0.61 -1.33 0.00 0.00 177.39 177.97 1idr n GLY 67 N 1.59 0.68 3.68 -0.72 0.00 -0.78 -1.10 105.19 108.54 1idr n GLY 67 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.69 1.63 0.00 -0.02 0.00 0.12 -4.92 107.32 103.44 1idr s GLY 68 Ca 0.00 0.14 0.25 0.00 0.00 0.00 0.00 44.72 45.11 1idr s GLY 68 CO 0.00 0.62 1.42 -1.55 0.00 0.00 0.00 173.10 173.58 1idr n PRO 69 N -4.04 0.56 -2.31 2.90 -0.04 -1.26 -4.52 135.00 126.28 1idr n PRO 69 Ca 0.08 -0.36 -0.40 0.00 -0.04 0.00 0.00 63.50 62.77 1idr n PRO 69 Cb 0.54 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 1idr n PRO 69 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1idr s GLU 70 N -2.69 4.50 0.33 0.54 8.01 -1.26 -5.00 118.70 123.13 1idr s GLU 70 Ca 0.18 1.99 -0.28 0.00 0.01 0.00 0.00 54.97 56.87 1idr s GLU 70 Cb 0.18 -3.13 -0.09 0.00 -4.31 0.00 0.00 34.13 26.78 1idr s GLU 70 CO 0.61 0.03 1.18 -2.14 0.01 0.00 0.00 175.26 174.95 1idr s PRO 71 N -1.62 4.39 -0.22 0.39 0.02 -1.26 -4.55 135.00 132.15 1idr s PRO 71 Ca 0.47 1.94 -0.25 0.00 0.02 0.00 0.00 61.00 63.17 1idr s PRO 71 Cb -0.35 -3.00 -0.01 0.00 0.02 0.00 0.00 34.50 31.16 1idr s PRO 71 CO 0.46 -0.06 0.84 -0.47 -0.33 0.00 0.00 177.00 177.44 1idr s TYR 72 N -1.23 3.34 -0.63 6.54 5.04 -1.26 -4.86 117.35 124.28 1idr s TYR 72 Ca 0.49 1.18 0.16 0.00 -2.44 0.00 0.00 57.07 56.47 1idr s TYR 72 Cb -0.34 -3.05 0.66 0.00 0.35 0.00 0.00 41.96 39.58 1idr s TYR 72 CO 0.44 -0.36 1.57 0.25 -1.34 0.00 0.00 175.55 176.11 1idr n THR 73 N 5.12 2.12 -2.79 4.34 -2.24 -1.26 -5.01 114.28 114.55 1idr n THR 73 Ca 0.06 -1.41 -0.04 0.00 -2.27 0.00 0.00 64.05 60.39 1idr n THR 73 Cb 0.48 -0.04 0.02 0.00 -2.10 0.00 0.00 70.33 68.69 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 0.52 1.57 3.91 3.38 0.00 -1.26 -5.10 105.19 108.21 1idr n GLY 74 Ca 0.24 -2.09 -0.27 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.35 3.39 0.55 4.61 0.00 -1.26 -5.04 121.76 121.67 1idr s ALA 75 Ca 0.12 -0.62 -0.20 0.00 0.00 0.00 0.00 51.96 51.25 1idr s ALA 75 Cb -0.01 -2.56 -0.05 0.00 0.00 0.00 0.00 23.12 20.51 1idr s ALA 75 CO 0.08 -0.52 1.23 -2.14 0.00 0.00 0.00 175.76 174.40 1idr s PRO 76 N -4.82 3.22 0.13 0.00 0.02 -1.26 -4.87 135.00 127.42 1idr s PRO 76 Ca 0.50 1.89 -0.19 0.00 0.02 0.00 0.00 61.00 63.22 1idr s PRO 76 Cb -0.10 -2.12 -0.05 0.00 0.02 0.00 0.00 34.50 32.25 1idr s PRO 76 CO 0.44 -1.02 1.77 0.52 -0.33 0.00 0.00 177.00 178.38 1idr h MET 77 N 1.31 0.23 -0.50 5.54 2.86 -1.96 -1.97 114.93 120.45 1idr h MET 77 Ca -0.50 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.11 1idr h MET 77 Cb 1.28 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 1idr h MET 77 CO 0.57 0.15 0.26 -0.22 1.06 0.00 0.00 176.91 178.73 1idr h LYS 78 N 0.24 0.71 -0.31 1.72 3.64 -1.93 -2.43 116.57 118.21 1idr h LYS 78 Ca 0.09 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1idr h LYS 78 Cb 0.01 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1idr h LYS 78 CO -0.05 0.57 0.01 0.37 -2.27 0.00 0.00 179.45 178.08 1idr h GLN 79 N 0.67 0.54 -0.69 1.90 4.15 -1.84 -0.98 115.11 118.85 1idr h GLN 79 Ca 0.17 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1idr h GLN 79 Cb 0.08 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 1idr h GLN 79 CO -0.03 0.67 0.40 0.28 -1.93 0.00 0.00 178.83 178.23 1idr h VAL 80 N 0.35 1.20 0.00 2.39 2.07 -1.28 -3.27 116.25 117.71 1idr h VAL 80 Ca 0.09 -0.47 -0.20 0.00 0.82 0.00 0.00 66.70 66.93 1idr h VAL 80 Cb 0.42 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1idr h VAL 80 CO 0.01 0.22 -1.76 1.41 0.02 0.00 0.00 177.57 177.47 1idr n HIS 81 N -4.54 0.61 -1.65 1.57 8.25 -0.93 -4.90 115.22 113.63 1idr n HIS 81 Ca 0.06 0.20 -0.44 0.00 -0.26 0.00 0.00 57.72 57.28 1idr n HIS 81 Cb 0.07 -0.99 -0.01 0.00 1.12 0.00 0.00 29.99 30.18 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 -2.78 1.80 -0.07 -0.41 7.27 -0.38 -2.08 117.38 120.73 1idr n GLN 82 Ca -0.15 0.63 0.00 0.00 0.07 0.00 0.00 57.00 57.55 1idr n GLN 82 Cb 0.90 -2.14 0.00 0.00 2.41 0.00 0.00 30.24 31.41 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 1.07 1.54 0.52 1.69 0.00 -1.26 -4.92 105.19 103.83 1idr n GLY 83 Ca 0.07 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.00 1.68 -2.34 1.61 1.74 -0.89 -4.92 116.66 111.55 1idr n ARG 84 Ca 0.00 -1.03 -0.18 0.00 -0.77 0.00 0.00 57.85 55.87 1idr n ARG 84 Cb 0.00 -1.37 -0.01 0.00 -1.02 0.00 0.00 32.46 30.06 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 1.10 -0.36 3.64 -0.13 0.00 -1.26 -4.96 105.19 103.22 1idr n GLY 85 Ca 0.15 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.91 4.85 0.55 -0.61 1.01 -1.26 -4.86 121.20 117.97 1idr s ILE 86 Ca 0.00 1.55 0.06 0.00 0.00 0.00 0.00 60.65 62.26 1idr s ILE 86 Cb 0.00 -4.11 0.06 0.00 0.01 0.00 0.00 42.46 38.42 1idr s ILE 86 CO 0.00 -0.06 0.75 0.42 0.00 0.00 0.00 174.94 176.05 1idr s THR 87 N 2.80 2.52 0.44 2.92 -4.23 -1.26 0.20 115.64 119.03 1idr s THR 87 Ca 0.35 -0.87 0.12 0.00 -1.18 0.00 0.00 61.69 60.11 1idr s THR 87 Cb -0.15 -2.65 0.21 0.00 1.34 0.00 0.00 72.50 71.25 1idr s THR 87 CO 0.08 0.00 2.02 -0.03 -0.54 0.00 0.00 174.62 176.15 1idr h MET 88 N 0.19 0.14 -0.36 3.99 4.05 -1.97 -0.91 114.93 120.06 1idr h MET 88 Ca -0.36 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.08 1idr h MET 88 Cb 1.28 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 32.02 1idr h MET 88 CO 0.44 0.21 0.11 1.25 0.23 0.00 0.00 176.91 179.15 1idr h HIS 89 N 0.14 0.19 -0.10 1.39 -0.00 -1.99 0.41 115.15 115.19 1idr h HIS 89 Ca 0.03 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.40 1idr h HIS 89 Cb 0.20 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 27.57 1idr h HIS 89 CO 0.00 0.07 -0.03 0.45 -0.00 0.00 0.00 177.93 178.42 1idr h HIS 90 N 0.25 0.23 -0.90 5.26 -0.00 -1.69 -1.86 115.15 116.44 1idr h HIS 90 Ca 0.17 -0.05 0.10 0.00 -0.00 0.00 0.00 60.37 60.58 1idr h HIS 90 Cb 0.16 -0.06 -0.08 0.00 -0.00 0.00 0.00 27.41 27.44 1idr h HIS 90 CO -0.16 0.53 0.54 0.35 -0.00 0.00 0.00 177.93 179.19 1idr h PHE 91 N -0.13 0.98 -0.26 2.45 3.57 -1.01 -0.17 116.94 122.38 1idr h PHE 91 Ca 0.03 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 1idr h PHE 91 Cb 0.45 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1idr h PHE 91 CO 0.06 0.41 0.00 0.77 -2.23 0.00 0.00 178.31 177.32 1idr h SER 92 N 0.90 0.45 -0.54 0.41 0.02 -0.80 0.52 113.55 114.50 1idr h SER 92 Ca 0.43 -0.31 0.08 0.00 -0.84 0.00 0.00 61.79 61.16 1idr h SER 92 Cb 0.38 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 62.73 1idr h SER 92 CO -0.24 0.65 0.18 -0.07 -1.14 0.00 0.00 176.83 176.20 1idr h LEU 93 N 0.24 0.15 -0.75 5.07 3.38 -0.86 -0.69 115.31 121.86 1idr h LEU 93 Ca 0.07 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1idr h LEU 93 Cb 0.42 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1idr h LEU 93 CO 0.01 0.11 0.34 0.58 0.09 0.00 0.00 178.44 179.57 1idr h VAL 94 N 0.35 1.25 -0.81 1.22 2.07 -0.53 -2.44 116.25 117.36 1idr h VAL 94 Ca 0.27 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1idr h VAL 94 Cb 0.32 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1idr h VAL 94 CO -0.29 0.30 0.49 0.00 0.02 0.00 0.00 177.57 178.10 1idr h ALA 95 N 1.17 1.34 -0.55 1.67 0.00 -0.57 -1.39 119.26 120.93 1idr h ALA 95 Ca 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1idr h ALA 95 Cb 0.16 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1idr h ALA 95 CO -0.03 0.57 0.28 0.78 0.00 0.00 0.00 179.25 180.86 1idr h GLY 96 N 1.13 0.83 1.57 0.00 0.00 -0.79 -1.12 103.07 104.70 1idr h GLY 96 Ca 0.29 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 1idr h GLY 96 CO -0.06 0.37 -0.07 0.45 0.00 0.00 0.00 176.54 177.24 1idr h HIS 97 N 0.74 0.56 -0.34 5.60 3.86 -1.04 0.56 115.15 125.08 1idr h HIS 97 Ca 0.19 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 1idr h HIS 97 Cb 0.08 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1idr h HIS 97 CO -0.01 0.59 0.09 1.25 0.86 0.00 0.00 177.93 180.71 1idr h LEU 98 N 0.49 0.51 -0.82 2.43 5.85 -1.02 -0.50 115.31 122.26 1idr h LEU 98 Ca 0.10 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 1idr h LEU 98 Cb 0.43 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1idr h LEU 98 CO 0.02 0.61 0.36 0.00 -0.34 0.00 0.00 178.44 179.08 1idr h ALA 99 N 0.93 1.06 -0.34 1.25 0.00 -0.86 0.06 119.26 121.35 1idr h ALA 99 Ca 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1idr h ALA 99 Cb 0.29 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1idr h ALA 99 CO 0.00 0.65 0.19 -0.44 0.00 0.00 0.00 179.25 179.65 1idr h ASP 100 N 1.17 0.43 -0.37 0.00 3.32 -0.74 0.15 116.42 120.39 1idr h ASP 100 Ca 0.28 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1idr h ASP 100 Cb 0.17 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1idr h ASP 100 CO -0.03 0.40 0.21 0.00 -1.72 0.00 0.00 179.24 178.09 1idr h ALA 101 N 1.05 0.47 -0.38 3.45 0.00 -0.78 0.72 119.26 123.79 1idr h ALA 101 Ca 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1idr h ALA 101 Cb 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1idr h ALA 101 CO -0.02 -0.02 0.23 -0.07 0.00 0.00 0.00 179.25 179.37 1idr h LEU 102 N 0.47 0.45 -0.34 0.00 3.38 -0.78 -1.86 115.31 116.63 1idr h LEU 102 Ca 0.13 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.11 1idr h LEU 102 Cb 0.04 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1idr h LEU 102 CO -0.02 0.37 0.01 0.74 0.09 0.00 0.00 178.44 179.62 1idr h THR 103 N 0.49 0.75 0.00 0.22 2.02 -0.51 -1.83 112.91 114.06 1idr h THR 103 Ca 0.14 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 1idr h THR 103 Cb -0.00 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1idr h THR 103 CO -0.03 0.02 -0.01 0.00 0.37 0.00 0.00 175.52 175.87 1idr h ALA 104 N 1.30 1.86 -0.04 6.16 0.00 -0.57 -1.30 119.26 126.67 1idr h ALA 104 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1idr h ALA 104 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1idr h ALA 104 CO -0.27 0.01 0.00 0.00 0.00 0.00 0.00 179.25 178.99 1idr n ALA 105 N -2.48 2.59 -0.66 0.00 0.00 -0.72 -4.91 120.51 114.33 1idr n ALA 105 Ca -0.03 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1idr n ALA 105 Cb 0.10 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 1.10 0.62 3.71 0.00 0.00 -0.49 -5.02 105.19 105.11 1idr n GLY 106 Ca 0.19 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 3.62 0.41 1.61 1.01 -0.78 -4.96 120.40 119.31 1idr s VAL 107 Ca 0.00 1.13 -0.25 0.00 0.00 0.00 0.00 61.98 62.86 1idr s VAL 107 Cb 0.00 -3.72 -0.11 0.00 0.00 0.00 0.00 36.38 32.55 1idr s VAL 107 CO 0.00 0.06 1.01 -2.65 0.00 0.00 0.00 175.10 173.52 1idr n PRO 108 N 4.33 1.36 0.05 2.72 -0.02 -1.26 -4.57 135.00 137.61 1idr n PRO 108 Ca 0.11 0.49 0.04 0.00 -2.02 0.00 0.00 63.50 62.11 1idr n PRO 108 Cb 0.44 -2.03 0.43 0.00 -0.02 0.00 0.00 33.50 32.32 1idr n PRO 108 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1idr h SER 109 N 1.58 0.39 -0.47 2.55 4.64 -1.98 -0.79 113.55 119.47 1idr h SER 109 Ca -0.44 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 60.83 1idr h SER 109 Cb 1.34 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 1idr h SER 109 CO 0.57 0.33 0.23 -0.08 -0.87 0.00 0.00 176.83 177.01 1idr h GLU 110 N 0.44 0.71 -0.01 4.77 4.81 -2.00 -1.62 114.58 121.68 1idr h GLU 110 Ca 0.11 -0.09 -0.16 0.00 -0.13 0.00 0.00 59.36 59.10 1idr h GLU 110 Cb 0.05 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1idr h GLU 110 CO -0.02 0.57 -0.72 1.15 -0.73 0.00 0.00 179.01 179.25 1idr h THR 111 N 0.71 1.49 -0.43 0.32 2.02 -1.51 -2.44 112.91 113.07 1idr h THR 111 Ca 0.18 -2.40 -0.10 0.00 0.77 0.00 0.00 66.41 64.85 1idr h THR 111 Cb 0.10 2.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 1idr h THR 111 CO -0.02 0.69 -0.12 0.40 0.37 0.00 0.00 175.52 176.84 1idr h ILE 112 N 0.04 1.26 -0.71 3.11 2.04 -0.80 -0.13 117.51 122.32 1idr h ILE 112 Ca -0.01 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.60 1idr h ILE 112 Cb 1.28 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 1idr h ILE 112 CO 0.10 0.41 0.23 0.74 0.00 0.00 0.00 178.15 179.62 1idr h THR 113 N 0.71 1.26 -0.60 -0.27 2.02 -1.22 0.63 112.91 115.43 1idr h THR 113 Ca 0.12 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 66.38 1idr h THR 113 Cb 0.61 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1idr h THR 113 CO 0.04 0.34 0.22 -0.08 0.37 0.00 0.00 175.52 176.41 1idr h GLU 114 N 1.03 0.91 -0.31 6.66 4.81 -0.98 -1.11 114.58 125.60 1idr h GLU 114 Ca 0.23 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1idr h GLU 114 Cb 0.29 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1idr h GLU 114 CO -0.01 0.79 0.10 0.82 -0.73 0.00 0.00 179.01 179.99 1idr h ILE 115 N 0.84 1.20 -0.24 2.32 2.04 -0.69 -2.11 117.51 120.86 1idr h ILE 115 Ca 0.20 -0.63 0.07 0.00 1.00 0.00 0.00 64.86 65.50 1idr h ILE 115 Cb 0.23 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1idr h ILE 115 CO -0.01 0.22 0.18 -0.07 0.00 0.00 0.00 178.15 178.46 1idr h LEU 116 N 0.35 0.00 -1.48 1.44 -0.00 -0.62 0.76 115.31 115.77 1idr h LEU 116 Ca 0.10 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.93 1idr h LEU 116 Cb 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.88 1idr h LEU 116 CO -0.00 0.00 -0.27 1.23 -0.00 0.00 0.00 178.44 179.40 1idr h GLY 117 N 0.00 0.00 1.29 0.83 0.00 -0.53 0.11 103.07 104.78 1idr h GLY 117 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.14 1idr h GLY 117 CO -0.00 0.00 -1.49 -2.08 0.00 0.00 0.00 176.54 172.97 1idr h VAL 118 N 0.00 1.22 0.12 4.60 2.07 -0.59 -3.38 116.25 120.29 1idr h VAL 118 Ca -0.00 -2.82 -0.30 0.00 0.82 0.00 0.00 66.70 64.40 1idr h VAL 118 Cb 0.51 2.82 -0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1idr h VAL 118 CO 0.03 0.84 -1.45 0.40 0.02 0.00 0.00 177.57 177.41 1idr h ILE 119 N 0.08 1.26 -0.89 4.57 1.08 -1.05 -3.38 117.51 119.17 1idr h ILE 119 Ca -0.23 -2.87 0.15 0.00 -0.39 0.00 0.00 64.86 61.52 1idr h ILE 119 Cb 2.03 2.82 -0.09 0.00 -3.07 0.00 0.00 36.82 38.51 1idr h ILE 119 CO 0.18 0.84 0.49 0.00 -0.69 0.00 0.00 178.15 178.97 1idr h ALA 120 N 0.51 1.37 0.00 1.87 0.00 -0.96 0.21 119.26 122.26 1idr h ALA 120 Ca -0.21 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1idr h ALA 120 Cb 2.01 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.74 1idr h ALA 120 CO 0.18 -0.04 -0.00 -1.35 0.00 0.00 0.00 179.25 178.04 1idr h PRO 121 N 0.70 0.00 0.00 0.00 0.11 -1.79 -1.87 132.00 129.15 1idr h PRO 121 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1idr h PRO 121 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1idr h PRO 121 CO -0.35 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.38 1idr h LEU 122 N 0.00 0.00 -2.10 2.35 3.38 -0.79 -2.57 115.31 115.59 1idr h LEU 122 Ca -0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1idr h LEU 122 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1idr h LEU 122 CO 0.00 0.00 0.28 0.00 0.09 0.00 0.00 178.44 178.81 1idr h ALA 123 N 2.01 2.10 -0.62 1.53 0.00 -1.45 0.81 119.26 123.63 1idr h ALA 123 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1idr h ALA 123 Cb 0.26 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1idr h ALA 123 CO 0.00 -0.44 0.30 0.28 0.00 0.00 0.00 179.25 179.40 1idr h VAL 124 N 0.00 0.90 0.00 0.00 2.07 -1.69 0.40 116.25 117.93 1idr h VAL 124 Ca 0.15 -0.19 -0.15 0.00 0.82 0.00 0.00 66.70 67.32 1idr h VAL 124 Cb 0.70 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1idr h VAL 124 CO -0.00 0.10 -0.74 0.44 0.02 0.00 0.00 177.57 177.39 1idr h ASP 125 N 0.55 0.00 0.22 0.57 3.32 -1.13 -3.38 116.42 116.57 1idr h ASP 125 Ca 0.29 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 57.01 1idr h ASP 125 Cb 0.25 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.82 1idr h ASP 125 CO -0.22 0.74 -1.55 0.58 -1.72 0.00 0.00 179.24 177.07 1idr h VAL 126 N 0.00 1.15 -3.41 -1.35 2.07 -0.24 -3.39 116.25 111.08 1idr h VAL 126 Ca -0.01 -2.60 -0.55 0.00 0.82 0.00 0.00 66.70 64.36 1idr h VAL 126 Cb 1.52 2.93 -0.04 0.00 -1.52 0.00 0.00 31.29 34.18 1idr h VAL 126 CO 0.10 0.82 0.12 0.42 0.02 0.00 0.00 177.57 179.04 1idr s THR 127 N -2.58 4.72 0.00 2.57 -4.23 0.05 -4.63 115.64 111.55 1idr s THR 127 Ca -0.13 1.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.93 1idr s THR 127 Cb 0.04 -4.07 0.00 0.00 1.34 0.00 0.00 72.50 69.81 1idr s THR 127 CO 0.90 0.40 0.00 -1.54 -0.54 0.00 0.00 174.62 173.84