#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mdi s VAL 2 N 0.00 5.15 -0.16 2.03 1.01 -1.26 -2.30 120.40 124.88 1mdi s VAL 2 Ca 0.00 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 1mdi s VAL 2 Cb 0.00 -3.75 0.06 0.00 0.00 0.00 0.00 36.38 32.69 1mdi s VAL 2 CO 0.00 -0.26 0.36 -0.75 0.00 0.00 0.00 175.10 174.45 1mdi s LYS 3 N -3.74 0.31 -0.06 2.72 2.20 -0.76 -4.97 119.74 115.45 1mdi s LYS 3 Ca 0.34 0.78 -0.19 0.00 -0.36 0.00 0.00 55.97 56.54 1mdi s LYS 3 Cb -0.09 0.03 -0.05 0.00 -1.51 0.00 0.00 37.83 36.21 1mdi s LYS 3 CO 0.28 -0.19 0.53 -1.14 -0.36 0.00 0.00 175.35 174.47 1mdi s GLN 4 N 1.75 4.30 -0.41 4.03 0.74 -1.26 -1.56 119.66 127.25 1mdi s GLN 4 Ca -0.07 0.59 -0.10 0.00 0.05 0.00 0.00 55.36 55.84 1mdi s GLN 4 Cb -0.10 -3.38 0.07 0.00 1.10 0.00 0.00 33.01 30.69 1mdi s GLN 4 CO -0.11 0.28 0.24 0.42 -0.55 0.00 0.00 175.29 175.57 1mdi s ILE 5 N 0.17 4.30 -1.23 -2.34 -1.09 -0.64 -4.91 121.20 115.47 1mdi s ILE 5 Ca 0.29 -1.26 0.22 0.00 -2.23 0.00 0.00 60.65 57.66 1mdi s ILE 5 Cb -0.17 -3.57 -0.15 0.00 -1.58 0.00 0.00 42.46 36.99 1mdi s ILE 5 CO 0.14 -0.43 1.01 -0.62 -1.23 0.00 0.00 174.94 173.80 1mdi n GLU 6 N 4.94 0.26 -3.66 2.79 1.02 -1.26 -4.32 120.64 120.41 1mdi n GLU 6 Ca -0.11 -0.21 -0.15 0.00 -0.02 0.00 0.00 57.16 56.67 1mdi n GLU 6 Cb 0.44 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.29 1mdi n GLU 6 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1mdi s SER 7 N -2.88 -0.36 0.61 1.62 1.04 -1.26 -4.68 113.70 107.78 1mdi s SER 7 Ca 0.11 0.28 0.28 0.00 0.48 0.00 0.00 55.95 57.10 1mdi s SER 7 Cb 0.17 0.41 1.45 0.00 0.10 0.00 0.00 66.02 68.14 1mdi s SER 7 CO 0.78 -0.54 1.85 0.50 0.98 0.00 0.00 173.24 176.81 1mdi h LYS 8 N 3.43 0.00 -0.10 4.02 3.64 -1.92 -0.21 116.57 125.42 1mdi h LYS 8 Ca -0.29 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1mdi h LYS 8 Cb 1.17 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1mdi h LYS 8 CO 0.40 0.00 0.05 1.15 -2.27 0.00 0.00 179.45 178.78 1mdi h THR 9 N 0.00 1.12 0.00 1.00 2.02 -2.00 -2.27 112.91 112.78 1mdi h THR 9 Ca 0.17 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1mdi h THR 9 Cb 1.16 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1mdi h THR 9 CO -0.00 0.11 -0.06 0.00 0.37 0.00 0.00 175.52 175.93 1mdi h ALA 10 N 0.92 1.01 0.16 6.16 0.00 -1.44 -3.01 119.26 123.06 1mdi h ALA 10 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1mdi h ALA 10 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1mdi h ALA 10 CO -0.00 0.08 -0.08 0.35 0.00 0.00 0.00 179.25 179.60 1mdi h PHE 11 N 0.00 -0.19 -0.60 0.00 3.57 -1.10 0.26 116.94 118.88 1mdi h PHE 11 Ca -0.00 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1mdi h PHE 11 Cb 0.58 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.32 1mdi h PHE 11 CO 0.00 -0.12 0.24 1.96 -2.23 0.00 0.00 178.31 178.16 1mdi h GLN 12 N -0.21 0.43 -0.65 1.11 4.20 -1.61 0.08 115.11 118.46 1mdi h GLN 12 Ca -0.02 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.71 1mdi h GLN 12 Cb 0.16 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 1mdi h GLN 12 CO 0.04 0.28 0.43 0.93 -0.67 0.00 0.00 178.83 179.84 1mdi h GLU 13 N 0.44 0.71 -0.49 1.46 5.08 -1.49 -0.70 114.58 119.60 1mdi h GLU 13 Ca 0.29 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1mdi h GLU 13 Cb 0.33 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1mdi h GLU 13 CO -0.27 0.47 0.31 0.00 -1.00 0.00 0.00 179.01 178.52 1mdi h ALA 14 N 1.63 0.62 -0.45 3.43 0.00 0.15 0.22 119.26 124.86 1mdi h ALA 14 Ca 0.27 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1mdi h ALA 14 Cb 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1mdi h ALA 14 CO -0.08 0.09 0.06 -0.07 0.00 0.00 0.00 179.25 179.25 1mdi h LEU 15 N 0.65 0.74 -0.72 0.00 3.38 -0.91 0.10 115.31 118.55 1mdi h LEU 15 Ca 0.18 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1mdi h LEU 15 Cb -0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1mdi h LEU 15 CO -0.04 0.82 0.17 -0.78 0.09 0.00 0.00 178.44 178.71 1mdi h ASP 16 N 0.62 1.08 1.45 -0.43 3.58 -0.75 -2.33 116.42 119.64 1mdi h ASP 16 Ca 0.14 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1mdi h ASP 16 Cb 0.41 -0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1mdi h ASP 16 CO 0.01 1.04 0.00 0.00 -2.88 0.00 0.00 179.24 177.41 1mdi n ALA 17 N -2.46 2.27 0.35 -0.78 0.00 0.74 -3.14 120.51 117.50 1mdi n ALA 17 Ca 0.05 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1mdi n ALA 17 Cb 0.26 -1.47 0.51 0.00 0.00 0.00 0.00 19.45 18.76 1mdi n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mdi n ALA 18 N -1.78 1.56 -0.12 0.00 0.00 0.33 -4.93 120.51 115.56 1mdi n ALA 18 Ca 0.05 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1mdi n ALA 18 Cb 0.42 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1mdi n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mdi n GLY 19 N -0.22 1.66 0.00 0.00 0.00 -1.19 -3.39 105.19 102.06 1mdi n GLY 19 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1mdi n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mdi n ASP 20 N 10.21 0.20 -4.70 1.61 9.92 -1.26 -4.42 116.55 128.10 1mdi n ASP 20 Ca 0.00 -0.91 -0.29 0.00 -0.53 0.00 0.00 54.79 53.06 1mdi n ASP 20 Cb 0.00 0.02 0.15 0.00 -0.64 0.00 0.00 41.12 40.66 1mdi n ASP 20 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1mdi s LYS 21 N -0.02 0.97 0.97 -1.24 1.02 -1.22 -4.77 119.74 115.44 1mdi s LYS 21 Ca 0.00 0.71 -0.11 0.00 0.02 0.00 0.00 55.97 56.59 1mdi s LYS 21 Cb 0.00 -1.78 0.17 0.00 -0.52 0.00 0.00 37.83 35.70 1mdi s LYS 21 CO 0.00 -2.41 1.11 -1.17 -0.92 0.00 0.00 175.35 171.95 1mdi s LEU 22 N -6.30 2.30 -0.26 3.17 0.20 -1.26 -4.68 118.68 111.84 1mdi s LEU 22 Ca 0.64 1.93 -0.02 0.00 0.69 0.00 0.00 54.13 57.37 1mdi s LEU 22 Cb -0.18 -4.22 0.11 0.00 -0.43 0.00 0.00 46.19 41.47 1mdi s LEU 22 CO 0.57 -3.27 0.23 -0.69 -0.29 0.00 0.00 176.35 172.91 1mdi s VAL 23 N -2.65 -0.30 -0.19 1.68 1.01 -0.86 -2.14 120.40 116.96 1mdi s VAL 23 Ca 0.66 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 1mdi s VAL 23 Cb -0.22 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1mdi s VAL 23 CO 0.59 -0.43 0.09 -0.69 0.00 0.00 0.00 175.10 174.67 1mdi s VAL 24 N 2.29 5.09 -0.04 2.92 1.01 -0.78 -0.51 120.40 130.38 1mdi s VAL 24 Ca 0.08 0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.13 1mdi s VAL 24 Cb -0.15 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1mdi s VAL 24 CO -0.26 0.46 0.00 -0.69 0.00 0.00 0.00 175.10 174.61 1mdi s VAL 25 N 0.28 4.22 -0.41 2.92 1.01 0.32 -1.26 120.40 127.48 1mdi s VAL 25 Ca 0.06 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 1mdi s VAL 25 Cb -0.12 -2.83 0.11 0.00 0.00 0.00 0.00 36.38 33.55 1mdi s VAL 25 CO -0.01 0.49 0.21 -0.62 0.00 0.00 0.00 175.10 175.17 1mdi s ASP 26 N -1.23 5.27 -1.28 3.32 2.15 -1.08 -2.63 116.67 121.19 1mdi s ASP 26 Ca 0.17 -2.00 -0.16 0.00 0.43 0.00 0.00 52.55 50.98 1mdi s ASP 26 Cb -0.11 -1.84 0.10 0.00 -0.30 0.00 0.00 42.92 40.77 1mdi s ASP 26 CO 0.06 -0.55 1.68 0.49 -0.17 0.00 0.00 175.17 176.69 1mdi n PHE 27 N 4.61 4.66 -4.24 -5.34 3.01 -1.07 -2.45 117.46 116.65 1mdi n PHE 27 Ca -0.03 -3.00 -0.29 0.00 1.01 0.00 0.00 57.45 55.14 1mdi n PHE 27 Cb 0.41 -2.48 -0.09 0.00 -0.01 0.00 0.00 39.48 37.31 1mdi n PHE 27 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1mdi s SER 28 N 3.67 4.40 -0.16 4.37 0.01 -1.16 -3.13 113.70 121.70 1mdi s SER 28 Ca 0.50 -0.44 -0.13 0.00 1.31 0.00 0.00 55.95 57.19 1mdi s SER 28 Cb 0.03 -0.83 -0.05 0.00 0.21 0.00 0.00 66.02 65.38 1mdi s SER 28 CO 0.05 0.15 0.27 0.00 0.41 0.00 0.00 173.24 174.11 1mdi s ALA 29 N -1.39 3.62 0.30 1.44 0.00 -1.26 -4.17 121.76 120.30 1mdi s ALA 29 Ca 0.23 -0.48 0.24 0.00 0.00 0.00 0.00 51.96 51.95 1mdi s ALA 29 Cb -0.10 -2.34 1.15 0.00 0.00 0.00 0.00 23.12 21.83 1mdi s ALA 29 CO 0.15 0.14 1.94 0.00 0.00 0.00 0.00 175.76 177.99 1mdi h THR 30 N 4.61 0.64 0.00 0.00 1.03 -1.98 -2.82 112.91 114.38 1mdi h THR 30 Ca -0.42 -0.87 0.00 0.00 -0.01 0.00 0.00 66.41 65.10 1mdi h THR 30 Cb 1.17 1.56 0.00 0.00 -1.07 0.00 0.00 68.15 69.81 1mdi h THR 30 CO 0.74 0.19 -0.79 4.11 -0.01 0.00 0.00 175.52 179.76 1mdi h TRP 31 N 0.00 0.00 -3.44 0.00 5.08 -2.04 -3.45 115.95 112.10 1mdi h TRP 31 Ca -0.00 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 59.37 1mdi h TRP 31 Cb 0.55 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 26.60 1mdi h TRP 31 CO 0.00 0.00 -0.22 0.00 -1.28 0.00 0.00 178.44 176.94 1mdi h GLY 33 N 7.41 -0.80 -0.47 0.00 0.00 -1.88 -2.60 103.07 104.73 1mdi h GLY 33 Ca -0.37 0.30 0.32 0.00 0.00 0.00 0.00 47.33 47.57 1mdi h GLY 33 CO 0.72 -0.29 0.64 -2.55 0.00 0.00 0.00 176.54 175.07 1mdi h PRO 34 N -1.04 0.33 0.15 4.80 0.11 -1.94 1.15 132.00 135.56 1mdi h PRO 34 Ca -0.08 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 1mdi h PRO 34 Cb 0.65 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1mdi h PRO 34 CO 0.13 0.22 -0.07 0.00 -0.21 0.00 0.00 178.00 178.07 1mdi h ALA 35 N 1.74 -0.20 0.00 -0.75 0.00 -1.86 -3.21 119.26 114.98 1mdi h ALA 35 Ca 0.70 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1mdi h ALA 35 Cb 1.71 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1mdi h ALA 35 CO -0.48 -0.20 0.02 -0.22 0.00 0.00 0.00 179.25 178.37 1mdi h LYS 36 N -1.02 0.00 0.00 0.00 3.64 -0.95 -1.76 116.57 116.48 1mdi h LYS 36 Ca -0.02 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1mdi h LYS 36 Cb 0.32 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1mdi h LYS 36 CO 0.03 0.00 -0.03 1.98 -2.27 0.00 0.00 179.45 179.16 1mdi h MET 37 N 0.00 0.00 -0.67 1.90 4.05 0.13 -1.68 114.93 118.67 1mdi h MET 37 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1mdi h MET 37 Cb 0.04 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.84 1mdi h MET 37 CO 0.00 0.03 0.00 -0.89 0.23 0.00 0.00 176.91 176.28 1mdi n ILE 38 N -4.25 1.38 0.11 1.77 5.41 -0.66 -4.32 119.36 118.80 1mdi n ILE 38 Ca -0.03 -0.78 -0.04 0.00 1.00 0.00 0.00 62.75 62.91 1mdi n ILE 38 Cb 0.12 -0.19 0.12 0.00 -0.71 0.00 0.00 39.64 38.98 1mdi n ILE 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1mdi h LYS 39 N 2.47 0.11 0.00 0.38 2.10 -1.48 -2.95 116.57 117.20 1mdi h LYS 39 Ca 0.00 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 1mdi h LYS 39 Cb 1.18 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1mdi h LYS 39 CO 0.22 0.72 0.00 -2.30 -2.00 0.00 0.00 179.45 176.09 1mdi n PRO 40 N -3.80 0.34 0.00 0.07 -0.02 -1.26 -2.60 135.00 127.73 1mdi n PRO 40 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1mdi n PRO 40 Cb 0.65 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 1mdi n PRO 40 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1mdi n PHE 41 N -0.87 0.00 -0.32 6.00 3.01 -1.13 -4.26 117.46 119.90 1mdi n PHE 41 Ca 0.06 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.45 1mdi n PHE 41 Cb 0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.47 1mdi n PHE 41 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 1mdi h PHE 42 N 0.00 -1.41 0.00 1.38 3.57 -1.63 0.75 116.94 119.60 1mdi h PHE 42 Ca 0.00 0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1mdi h PHE 42 Cb 0.00 0.73 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1mdi h PHE 42 CO 0.00 -0.41 -0.32 1.25 -2.23 0.00 0.00 178.31 176.60 1mdi h HIS 43 N -0.10 0.00 -0.51 0.41 2.76 -1.74 -2.88 115.15 113.09 1mdi h HIS 43 Ca 0.22 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.31 1mdi h HIS 43 Cb 0.53 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.48 1mdi h HIS 43 CO -0.85 0.32 -0.01 1.03 -1.30 0.00 0.00 177.93 177.12 1mdi h SER 44 N 0.00 0.89 0.00 3.26 0.87 0.31 -2.15 113.55 116.74 1mdi h SER 44 Ca -0.00 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1mdi h SER 44 Cb 0.64 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1mdi h SER 44 CO 0.04 0.99 0.40 -0.07 -0.53 0.00 0.00 176.83 177.66 1mdi h LEU 45 N 0.77 0.00 -1.57 2.23 3.38 -0.58 0.35 115.31 119.90 1mdi h LEU 45 Ca 0.14 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.22 1mdi h LEU 45 Cb 0.54 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1mdi h LEU 45 CO 0.03 0.00 0.45 0.28 0.09 0.00 0.00 178.44 179.28 1mdi h SER 46 N 0.00 0.43 0.44 -0.43 0.02 -1.51 0.48 113.55 112.99 1mdi h SER 46 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1mdi h SER 46 Cb 0.80 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1mdi h SER 46 CO 0.00 0.25 -1.36 -0.62 -1.14 0.00 0.00 176.83 173.96 1mdi n GLU 47 N -4.48 0.51 0.07 3.45 1.02 0.11 -3.75 120.64 117.57 1mdi n GLU 47 Ca 0.11 -0.03 0.07 0.00 -0.02 0.00 0.00 57.16 57.30 1mdi n GLU 47 Cb 0.39 -1.64 -0.04 0.00 -0.02 0.00 0.00 31.44 30.13 1mdi n GLU 47 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1mdi n LYS 48 N -2.28 0.61 -3.24 3.49 4.81 -0.59 -4.46 118.16 116.50 1mdi n LYS 48 Ca -0.01 0.13 -0.24 0.00 -0.87 0.00 0.00 58.31 57.32 1mdi n LYS 48 Cb 0.52 -1.80 -0.07 0.00 0.02 0.00 0.00 35.03 33.70 1mdi n LYS 48 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1mdi n TYR 49 N -2.72 1.25 0.56 5.64 4.01 0.16 -4.89 117.16 121.17 1mdi n TYR 49 Ca -0.04 -3.81 0.05 0.00 -0.16 0.00 0.00 57.90 53.95 1mdi n TYR 49 Cb 0.65 -0.43 0.29 0.00 -0.31 0.00 0.00 39.34 39.54 1mdi n TYR 49 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1mdi n SER 50 N 0.97 0.00 -0.58 7.72 3.41 -1.25 -1.27 113.62 122.62 1mdi n SER 50 Ca 0.25 -0.02 0.13 0.00 -0.26 0.00 0.00 58.87 58.96 1mdi n SER 50 Cb 0.50 -0.19 0.27 0.00 -0.26 0.00 0.00 64.21 64.53 1mdi n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1mdi n ASN 51 N -1.19 1.95 -4.46 4.04 5.15 -1.26 -4.53 115.26 114.96 1mdi n ASN 51 Ca 0.06 -1.53 -0.29 0.00 -0.60 0.00 0.00 54.58 52.23 1mdi n ASN 51 Cb 0.07 0.12 -0.12 0.00 -0.53 0.00 0.00 39.78 39.32 1mdi n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1mdi s VAL 52 N -2.19 2.66 -0.20 3.44 1.01 -0.40 -4.57 120.40 120.15 1mdi s VAL 52 Ca 0.28 -1.67 -0.10 0.00 0.00 0.00 0.00 61.98 60.50 1mdi s VAL 52 Cb 0.20 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1mdi s VAL 52 CO 0.41 0.04 0.13 -0.63 0.00 0.00 0.00 175.10 175.04 1mdi s ILE 53 N -1.27 5.34 -0.12 2.22 -1.09 -0.91 -3.57 121.20 121.80 1mdi s ILE 53 Ca 0.18 0.17 0.01 0.00 -2.23 0.00 0.00 60.65 58.78 1mdi s ILE 53 Cb -0.10 -3.44 -0.01 0.00 -1.58 0.00 0.00 42.46 37.33 1mdi s ILE 53 CO 0.10 0.43 -0.15 -0.36 -1.23 0.00 0.00 174.94 173.73 1mdi s PHE 54 N 0.42 2.75 0.46 3.97 0.08 -0.97 -1.86 117.98 122.83 1mdi s PHE 54 Ca 0.07 -0.66 0.06 0.00 0.12 0.00 0.00 56.93 56.53 1mdi s PHE 54 Cb -0.11 -1.80 -0.02 0.00 -0.57 0.00 0.00 43.02 40.52 1mdi s PHE 54 CO -0.01 -0.20 0.24 -0.51 -0.10 0.00 0.00 175.22 174.63 1mdi s LEU 55 N 0.23 2.95 -0.03 -0.37 1.02 -0.39 -1.83 118.68 120.28 1mdi s LEU 55 Ca -0.10 -1.15 -0.06 0.00 0.02 0.00 0.00 54.13 52.84 1mdi s LEU 55 Cb -0.16 -1.36 0.01 0.00 0.02 0.00 0.00 46.19 44.70 1mdi s LEU 55 CO 0.06 -0.73 0.13 -0.70 0.02 0.00 0.00 176.35 175.13 1mdi s GLU 56 N -4.02 0.30 -0.03 1.70 2.12 -0.60 -2.64 118.70 115.53 1mdi s GLU 56 Ca 0.36 -0.10 -0.02 0.00 0.36 0.00 0.00 54.97 55.57 1mdi s GLU 56 Cb 0.01 0.13 0.01 0.00 0.26 0.00 0.00 34.13 34.55 1mdi s GLU 56 CO 0.21 -0.06 0.07 0.08 -0.54 0.00 0.00 175.26 175.02 1mdi s VAL 57 N -0.62 -0.01 -0.55 3.70 1.01 -1.02 -1.62 120.40 121.28 1mdi s VAL 57 Ca -0.07 0.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.76 1mdi s VAL 57 Cb -0.04 -0.11 0.12 0.00 0.00 0.00 0.00 36.38 36.34 1mdi s VAL 57 CO 0.01 0.01 0.57 -0.62 0.00 0.00 0.00 175.10 175.07 1mdi s ASP 58 N 0.15 6.19 0.19 3.32 -1.08 -1.26 -3.00 116.67 121.18 1mdi s ASP 58 Ca -0.01 -1.61 0.11 0.00 -0.52 0.00 0.00 52.55 50.52 1mdi s ASP 58 Cb -0.02 -2.24 0.61 0.00 -1.46 0.00 0.00 42.92 39.81 1mdi s ASP 58 CO -0.00 -0.94 1.30 1.33 0.52 0.00 0.00 175.17 177.37 1mdi n VAL 59 N 5.36 1.25 -0.12 1.11 0.24 -1.26 0.20 118.33 125.12 1mdi n VAL 59 Ca -0.12 0.64 -0.18 0.00 -2.04 0.00 0.00 64.34 62.64 1mdi n VAL 59 Cb 0.41 -1.64 -0.10 0.00 -1.47 0.00 0.00 33.84 31.04 1mdi n VAL 59 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1mdi n ASP 60 N -1.88 2.11 0.01 -1.34 8.00 -1.26 -4.05 116.55 118.13 1mdi n ASP 60 Ca -0.01 -0.05 0.12 0.00 0.71 0.00 0.00 54.79 55.56 1mdi n ASP 60 Cb 0.10 -0.44 0.14 0.00 -0.02 0.00 0.00 41.12 40.90 1mdi n ASP 60 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1mdi n ASP 61 N -3.36 0.62 -2.47 -2.24 2.03 -1.04 -4.18 116.55 105.92 1mdi n ASP 61 Ca -0.43 -0.36 -0.20 0.00 0.52 0.00 0.00 54.79 54.32 1mdi n ASP 61 Cb 0.92 0.47 0.01 0.00 -0.72 0.00 0.00 41.12 41.81 1mdi n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mdi n ALA 62 N -1.58 4.49 0.17 -1.67 0.00 0.13 -4.84 120.51 117.21 1mdi n ALA 62 Ca 0.04 -3.84 0.09 0.00 0.00 0.00 0.00 53.44 49.74 1mdi n ALA 62 Cb 0.36 -0.62 0.50 0.00 0.00 0.00 0.00 19.45 19.68 1mdi n ALA 62 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1mdi h GLN 63 N 2.61 0.00 -0.37 0.00 4.20 -1.71 -0.00 115.11 119.84 1mdi h GLN 63 Ca 0.19 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.76 1mdi h GLN 63 Cb 1.12 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.89 1mdi h GLN 63 CO 0.70 0.00 -0.33 0.38 -0.67 0.00 0.00 178.83 178.91 1mdi h ASP 64 N 0.00 0.87 0.00 1.46 2.03 -1.92 0.74 116.42 119.60 1mdi h ASP 64 Ca 0.00 -0.36 -0.07 0.00 -0.73 0.00 0.00 57.03 55.86 1mdi h ASP 64 Cb 0.30 -0.24 0.01 0.00 -0.83 0.00 0.00 39.33 38.56 1mdi h ASP 64 CO 0.00 1.12 -0.28 0.58 -1.03 0.00 0.00 179.24 179.62 1mdi h VAL 65 N 0.69 1.54 -0.29 4.15 2.07 -1.38 -2.78 116.25 120.25 1mdi h VAL 65 Ca 0.07 -1.98 -0.05 0.00 0.82 0.00 0.00 66.70 65.56 1mdi h VAL 65 Cb 0.88 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 33.41 1mdi h VAL 65 CO 0.08 0.54 -0.04 0.00 0.02 0.00 0.00 177.57 178.17 1mdi h ALA 66 N 0.25 1.39 0.03 1.67 0.00 -1.49 -1.22 119.26 119.90 1mdi h ALA 66 Ca -0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1mdi h ALA 66 Cb 1.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1mdi h ALA 66 CO 0.06 0.42 -0.01 0.77 0.00 0.00 0.00 179.25 180.48 1mdi h SER 67 N 0.43 -0.03 -0.29 0.00 0.02 0.50 1.07 113.55 115.25 1mdi h SER 67 Ca 0.09 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 1mdi h SER 67 Cb 0.35 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1mdi h SER 67 CO 0.01 0.13 -0.05 -0.08 -1.14 0.00 0.00 176.83 175.70 1mdi h GLU 68 N -0.19 0.67 -0.01 3.45 4.81 -1.26 -1.69 114.58 120.36 1mdi h GLU 68 Ca -0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1mdi h GLU 68 Cb 0.18 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1mdi h GLU 68 CO 0.01 0.73 -0.11 0.00 -0.73 0.00 0.00 179.01 178.91 1mdi n ALA 69 N -2.48 2.78 -3.98 2.92 0.00 -0.48 -4.94 120.51 114.34 1mdi n ALA 69 Ca 0.02 -0.33 -0.33 0.00 0.00 0.00 0.00 53.44 52.80 1mdi n ALA 69 Cb 0.31 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 1mdi n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1mdi n GLU 70 N -0.63 -1.70 -2.70 0.00 1.02 0.36 -4.89 120.64 112.11 1mdi n GLU 70 Ca 0.16 0.29 -0.40 0.00 -0.02 0.00 0.00 57.16 57.18 1mdi n GLU 70 Cb 0.29 -3.82 -0.05 0.00 -0.02 0.00 0.00 31.44 27.84 1mdi n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1mdi s VAL 71 N -3.83 4.12 0.00 2.62 1.01 -0.80 -4.92 120.40 118.61 1mdi s VAL 71 Ca 0.22 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.19 1mdi s VAL 71 Cb -0.10 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1mdi s VAL 71 CO 0.92 0.42 0.39 0.29 0.00 0.00 0.00 175.10 177.12 1mdi n LYS 72 N 1.90 0.28 -3.66 2.72 5.02 -1.26 -4.96 118.16 118.20 1mdi n LYS 72 Ca -0.00 -0.46 -0.08 0.00 -2.02 0.00 0.00 58.31 55.75 1mdi n LYS 72 Cb 0.47 -0.64 -0.09 0.00 -0.02 0.00 0.00 35.03 34.76 1mdi n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mdi s ALA 73 N -0.14 -1.21 0.09 7.82 0.00 -1.26 -5.16 121.76 121.90 1mdi s ALA 73 Ca 0.00 1.57 0.04 0.00 0.00 0.00 0.00 51.96 53.57 1mdi s ALA 73 Cb 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 1mdi s ALA 73 CO 0.00 -0.72 0.06 0.95 0.00 0.00 0.00 175.76 176.05 1mdi s THR 74 N 2.51 4.36 0.30 0.00 -4.23 -1.26 -3.64 115.64 113.67 1mdi s THR 74 Ca -0.03 -0.88 -0.27 0.00 -1.18 0.00 0.00 61.69 59.33 1mdi s THR 74 Cb -0.12 -3.11 -0.10 0.00 1.34 0.00 0.00 72.50 70.52 1mdi s THR 74 CO -0.13 0.09 0.95 -2.16 -0.54 0.00 0.00 174.62 172.84 1mdi s PRO 75 N -2.45 4.66 -0.26 3.99 0.04 -1.26 -4.81 135.00 134.91 1mdi s PRO 75 Ca 0.28 1.41 -0.03 0.00 0.04 0.00 0.00 61.00 62.71 1mdi s PRO 75 Cb -0.12 -2.96 0.02 0.00 0.04 0.00 0.00 34.50 31.49 1mdi s PRO 75 CO 0.21 0.33 -0.03 0.99 0.04 0.00 0.00 177.00 178.55 1mdi s THR 76 N -1.46 3.12 -0.28 1.26 2.01 -1.18 -3.07 115.64 116.04 1mdi s THR 76 Ca 0.47 -0.98 -0.21 0.00 0.31 0.00 0.00 61.69 61.28 1mdi s THR 76 Cb -0.22 -2.61 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 1mdi s THR 76 CO 0.27 0.15 0.65 -0.36 -0.69 0.00 0.00 174.62 174.64 1mdi s PHE 77 N 1.36 3.25 -0.07 4.92 0.08 -0.46 -2.61 117.98 124.43 1mdi s PHE 77 Ca 0.00 0.74 0.03 0.00 0.12 0.00 0.00 56.93 57.82 1mdi s PHE 77 Cb -0.17 -2.95 -0.02 0.00 -0.57 0.00 0.00 43.02 39.31 1mdi s PHE 77 CO -0.03 -0.41 -0.16 -0.65 -0.10 0.00 0.00 175.22 173.87 1mdi s GLN 78 N 2.61 2.77 -0.19 0.44 -0.21 -1.08 -0.46 119.66 123.53 1mdi s GLN 78 Ca 0.27 -0.73 -0.03 0.00 0.02 0.00 0.00 55.36 54.89 1mdi s GLN 78 Cb -0.15 -2.42 -0.02 0.00 1.00 0.00 0.00 33.01 31.42 1mdi s GLN 78 CO 0.10 0.47 -0.05 -0.06 -2.12 0.00 0.00 175.29 173.63 1mdi s PHE 79 N -0.33 2.96 0.21 0.91 0.40 -0.53 -0.52 117.98 121.08 1mdi s PHE 79 Ca 0.03 -0.65 0.10 0.00 -0.60 0.00 0.00 56.93 55.80 1mdi s PHE 79 Cb -0.13 -2.02 -0.05 0.00 0.51 0.00 0.00 43.02 41.33 1mdi s PHE 79 CO 0.02 -0.32 -0.19 -0.06 0.70 0.00 0.00 175.22 175.38 1mdi s PHE 80 N 0.95 2.00 -0.21 0.36 0.08 0.34 -1.99 117.98 119.51 1mdi s PHE 80 Ca -0.00 -0.44 -0.09 0.00 0.12 0.00 0.00 56.93 56.52 1mdi s PHE 80 Cb -0.15 -0.94 0.09 0.00 -0.57 0.00 0.00 43.02 41.45 1mdi s PHE 80 CO 0.01 0.47 0.48 0.21 -0.10 0.00 0.00 175.22 176.29 1mdi s LYS 81 N -3.19 0.42 -1.37 0.44 2.20 0.21 -2.02 119.74 116.42 1mdi s LYS 81 Ca 0.22 1.04 -0.03 0.00 -0.36 0.00 0.00 55.97 56.85 1mdi s LYS 81 Cb -0.05 0.28 0.01 0.00 -1.51 0.00 0.00 37.83 36.56 1mdi s LYS 81 CO 0.10 -0.20 0.21 1.63 -0.36 0.00 0.00 175.35 176.72 1mdi n LYS 82 N 4.93 -2.84 -0.95 4.03 5.02 -1.26 -0.18 118.16 126.91 1mdi n LYS 82 Ca -0.15 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1mdi n LYS 82 Cb 0.52 -5.43 0.00 0.00 -0.02 0.00 0.00 35.03 30.11 1mdi n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mdi n GLY 83 N -1.06 0.77 3.51 0.72 0.00 -1.26 -5.00 105.19 102.87 1mdi n GLY 83 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1mdi n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mdi s GLN 84 N -0.05 1.98 0.24 1.61 -0.21 0.74 -5.11 119.66 118.86 1mdi s GLN 84 Ca 0.00 -1.07 -0.19 0.00 0.02 0.00 0.00 55.36 54.12 1mdi s GLN 84 Cb 0.00 -2.20 -0.08 0.00 1.00 0.00 0.00 33.01 31.72 1mdi s GLN 84 CO 0.00 0.51 0.73 0.21 -2.12 0.00 0.00 175.29 174.62 1mdi s LYS 85 N -1.96 4.23 0.00 2.91 2.20 -1.26 0.64 119.74 126.49 1mdi s LYS 85 Ca 0.18 0.86 0.00 0.00 -0.36 0.00 0.00 55.97 56.65 1mdi s LYS 85 Cb -0.11 -2.81 0.00 0.00 -1.51 0.00 0.00 37.83 33.40 1mdi s LYS 85 CO 0.10 0.35 0.00 1.33 -0.36 0.00 0.00 175.35 176.77 1mdi n VAL 86 N 0.56 0.00 -3.82 4.02 0.24 -0.84 -4.90 118.33 113.58 1mdi n VAL 86 Ca -0.01 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.28 1mdi n VAL 86 Cb 0.51 -0.01 0.01 0.00 -1.47 0.00 0.00 33.84 32.88 1mdi n VAL 86 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1mdi s GLY 87 N -1.29 -0.14 -0.22 7.63 0.00 -1.24 -5.04 107.32 107.02 1mdi s GLY 87 Ca 0.00 0.09 -0.31 0.00 0.00 0.00 0.00 44.72 44.50 1mdi s GLY 87 CO 0.00 2.26 1.21 -1.83 0.00 0.00 0.00 173.10 174.74 1mdi s GLU 88 N -2.38 0.29 -0.29 2.90 -1.05 -1.26 -1.45 118.70 115.47 1mdi s GLU 88 Ca 0.20 0.02 -0.18 0.00 -0.15 0.00 0.00 54.97 54.86 1mdi s GLU 88 Cb 0.00 0.14 0.14 0.00 -0.44 0.00 0.00 34.13 33.97 1mdi s GLU 88 CO 0.01 -0.10 1.00 -0.59 0.95 0.00 0.00 175.26 176.53 1mdi s PHE 89 N -1.41 -0.54 0.00 4.83 -0.12 0.39 -5.00 117.98 116.13 1mdi s PHE 89 Ca 0.06 1.12 0.00 0.00 -0.05 0.00 0.00 56.93 58.06 1mdi s PHE 89 Cb -0.01 0.35 0.00 0.00 -0.63 0.00 0.00 43.02 42.73 1mdi s PHE 89 CO -0.04 -0.26 0.00 -1.13 -0.05 0.00 0.00 175.22 173.73 1mdi n SER 90 N 3.30 0.41 0.00 1.98 3.41 -1.26 -1.36 113.62 120.10 1mdi n SER 90 Ca -0.17 -0.81 0.00 0.00 -0.26 0.00 0.00 58.87 57.63 1mdi n SER 90 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1mdi n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mdi n GLY 91 N 5.00 -1.13 3.55 5.00 0.00 -1.18 -4.78 105.19 111.65 1mdi n GLY 91 Ca 0.00 -1.16 -0.27 0.00 0.00 0.00 0.00 46.02 44.59 1mdi n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mdi n ALA 92 N 0.97 0.60 -3.28 4.61 0.00 -1.26 -4.79 120.51 117.36 1mdi n ALA 92 Ca 0.00 -1.06 -0.24 0.00 0.00 0.00 0.00 53.44 52.14 1mdi n ALA 92 Cb 0.00 -3.14 -0.08 0.00 0.00 0.00 0.00 19.45 16.23 1mdi n ALA 92 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1mdi n ASN 93 N 16.11 -0.64 0.06 0.00 2.85 -1.26 -4.97 115.26 127.41 1mdi n ASN 93 Ca 0.44 -2.52 0.00 0.00 -0.11 0.00 0.00 54.58 52.40 1mdi n ASN 93 Cb 0.45 -0.33 0.31 0.00 1.24 0.00 0.00 39.78 41.46 1mdi n ASN 93 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 1mdi h LYS 94 N 5.15 0.37 0.00 1.20 -0.00 -1.98 -2.39 116.57 118.92 1mdi h LYS 94 Ca 0.19 -0.10 -0.05 0.00 -0.00 0.00 0.00 60.65 60.69 1mdi h LYS 94 Cb 0.92 -0.04 -0.01 0.00 -0.00 0.00 0.00 32.23 33.10 1mdi h LYS 94 CO 0.36 0.51 -0.25 0.93 -0.00 0.00 0.00 179.45 181.00 1mdi h GLU 95 N 0.35 0.00 -0.11 0.07 5.08 -2.00 -2.35 114.58 115.62 1mdi h GLU 95 Ca 0.07 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 1mdi h GLU 95 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1mdi h GLU 95 CO 0.03 0.25 -0.47 -0.22 -1.00 0.00 0.00 179.01 177.60 1mdi h LYS 96 N 0.00 0.27 -0.87 2.33 3.64 -1.85 -2.75 116.57 117.34 1mdi h LYS 96 Ca -0.00 -0.14 0.18 0.00 -1.27 0.00 0.00 60.65 59.42 1mdi h LYS 96 Cb 0.49 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.26 1mdi h LYS 96 CO 0.03 0.69 0.57 -0.07 -2.27 0.00 0.00 179.45 178.40 1mdi h LEU 97 N 0.22 0.44 0.34 5.20 3.38 -1.42 0.28 115.31 123.75 1mdi h LEU 97 Ca 0.01 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1mdi h LEU 97 Cb 0.91 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1mdi h LEU 97 CO 0.07 0.20 -0.17 -0.08 0.09 0.00 0.00 178.44 178.55 1mdi h GLU 98 N 0.45 -0.44 -0.86 1.13 4.81 -1.59 -0.16 114.58 117.90 1mdi h GLU 98 Ca 0.44 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.74 1mdi h GLU 98 Cb 1.03 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.46 1mdi h GLU 98 CO -0.17 -0.12 0.56 0.00 -0.73 0.00 0.00 179.01 178.55 1mdi h ALA 99 N -0.40 1.13 -0.26 2.92 0.00 -1.30 0.12 119.26 121.48 1mdi h ALA 99 Ca -0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1mdi h ALA 99 Cb 0.53 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1mdi h ALA 99 CO 0.08 0.41 -0.05 1.15 0.00 0.00 0.00 179.25 180.83 1mdi h THR 100 N 1.09 1.28 0.04 0.00 2.02 -0.49 -1.29 112.91 115.56 1mdi h THR 100 Ca 0.34 -1.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 1mdi h THR 100 Cb -0.00 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1mdi h THR 100 CO -0.11 0.33 -0.02 0.40 0.37 0.00 0.00 175.52 176.49 1mdi h ILE 101 N 0.25 1.02 0.00 3.11 2.04 -0.66 -0.57 117.51 122.70 1mdi h ILE 101 Ca 0.07 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1mdi h ILE 101 Cb 0.52 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1mdi h ILE 101 CO 0.02 0.05 0.00 -3.20 0.00 0.00 0.00 178.15 175.02 1mdi n ASN 102 N -5.07 0.37 -0.03 1.72 2.85 -0.00 -1.13 115.26 113.96 1mdi n ASN 102 Ca -0.08 0.64 -0.01 0.00 -0.11 0.00 0.00 54.58 55.03 1mdi n ASN 102 Cb 0.09 -0.70 -0.00 0.00 1.24 0.00 0.00 39.78 40.40 1mdi n ASN 102 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1mdi h GLU 103 N 0.00 -0.04 -0.80 1.20 4.57 0.11 -3.35 114.58 116.27 1mdi h GLU 103 Ca 0.00 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 1mdi h GLU 103 Cb 0.11 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.63 1mdi h GLU 103 CO 0.00 -0.03 0.17 1.28 -1.18 0.00 0.00 179.01 179.25 1mdi n LEU 104 N -4.55 4.94 0.00 1.64 4.77 -0.94 -5.10 117.00 117.77 1mdi n LEU 104 Ca -0.01 -2.55 0.03 0.00 -0.03 0.00 0.00 56.01 53.45 1mdi n LEU 104 Cb 0.02 -0.68 0.19 0.00 -2.33 0.00 0.00 43.42 40.62 1mdi n LEU 104 CO 0.01 0.66 0.42 0.55 -1.33 0.00 0.00 177.39 177.70