#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1occ s HIS 2 N 0.00 2.55 0.00 7.33 0.09 -1.26 -3.03 115.29 120.97 1occ s HIS 2 Ca 0.00 0.79 0.00 0.00 -0.00 0.00 0.00 55.06 55.85 1occ s HIS 2 Cb 0.00 -3.78 0.00 0.00 -0.00 0.00 0.00 32.58 28.80 1occ s HIS 2 CO 0.00 -2.17 0.00 0.41 -0.00 0.00 0.00 174.74 172.98 1occ n GLY 3 N 4.12 2.92 3.63 -2.22 0.00 -1.26 -4.99 105.19 107.38 1occ n GLY 3 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1occ n GLY 3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1occ s SER 4 N -0.15 6.87 0.03 1.61 1.04 -1.17 -5.03 113.70 116.90 1occ s SER 4 Ca 0.00 0.93 0.06 0.00 0.48 0.00 0.00 55.95 57.42 1occ s SER 4 Cb 0.00 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 1occ s SER 4 CO 0.00 -0.90 -0.18 -1.00 0.98 0.00 0.00 173.24 172.14 1occ s HIS 5 N 3.68 1.55 0.19 5.02 4.02 -1.26 -4.65 115.29 123.84 1occ s HIS 5 Ca 0.44 -0.34 -0.01 0.00 1.02 0.00 0.00 55.06 56.17 1occ s HIS 5 Cb -0.12 -0.94 -0.04 0.00 -1.02 0.00 0.00 32.58 30.46 1occ s HIS 5 CO 0.17 0.04 0.39 -1.83 1.02 0.00 0.00 174.74 174.53 1occ s GLU 6 N -0.96 3.53 0.71 1.40 -1.05 -1.26 -5.10 118.70 115.97 1occ s GLU 6 Ca 0.05 -0.30 -0.11 0.00 -0.15 0.00 0.00 54.97 54.46 1occ s GLU 6 Cb -0.08 -2.84 0.02 0.00 -0.44 0.00 0.00 34.13 30.79 1occ s GLU 6 CO 0.01 0.41 1.09 0.95 0.95 0.00 0.00 175.26 178.67 1occ s THR 7 N -1.83 3.38 0.14 1.83 -4.23 -1.26 -4.84 115.64 108.83 1occ s THR 7 Ca 0.39 0.42 -0.22 0.00 -1.18 0.00 0.00 61.69 61.09 1occ s THR 7 Cb -0.11 -3.44 0.01 0.00 1.34 0.00 0.00 72.50 70.30 1occ s THR 7 CO 0.28 -0.57 1.64 0.44 -0.54 0.00 0.00 174.62 175.87 1occ h ASP 8 N -0.65 -0.66 -0.99 3.99 3.32 -1.99 -1.36 116.42 118.07 1occ h ASP 8 Ca -0.45 0.12 0.19 0.00 0.02 0.00 0.00 57.03 56.91 1occ h ASP 8 Cb 1.26 0.31 -0.10 0.00 0.22 0.00 0.00 39.33 41.02 1occ h ASP 8 CO 0.64 -0.25 0.61 -0.33 -1.72 0.00 0.00 179.24 178.19 1occ h GLU 9 N -0.24 0.71 -0.24 3.56 3.07 -1.99 0.11 114.58 119.56 1occ h GLU 9 Ca 0.12 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.87 1occ h GLU 9 Cb 0.41 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1occ h GLU 9 CO -0.33 0.47 -0.12 0.93 -1.40 0.00 0.00 179.01 178.56 1occ h GLU 10 N 0.73 0.50 -0.23 2.33 5.08 -1.73 -1.29 114.58 119.98 1occ h GLU 10 Ca 0.56 -0.22 0.06 0.00 -1.00 0.00 0.00 59.36 58.75 1occ h GLU 10 Cb 0.91 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.09 1occ h GLU 10 CO -0.34 0.78 -0.14 0.35 -1.00 0.00 0.00 179.01 178.65 1occ h PHE 11 N 0.22 -0.35 0.12 4.33 3.57 0.19 0.20 116.94 125.22 1occ h PHE 11 Ca 0.05 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1occ h PHE 11 Cb 0.63 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 1occ h PHE 11 CO 0.06 -0.21 -0.06 -0.44 -2.23 0.00 0.00 178.31 175.43 1occ h ASP 12 N -0.13 -0.16 -0.05 0.41 3.32 -0.89 -2.07 116.42 116.85 1occ h ASP 12 Ca 0.13 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.22 1occ h ASP 12 Cb 0.32 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.85 1occ h ASP 12 CO -0.31 -0.11 -0.42 0.00 -1.72 0.00 0.00 179.24 176.68 1occ h ALA 13 N 0.71 -0.65 -1.16 3.45 0.00 -0.85 0.23 119.26 120.99 1occ h ALA 13 Ca -0.01 -0.03 0.34 0.00 0.00 0.00 0.00 54.91 55.21 1occ h ALA 13 Cb 0.14 0.76 -0.11 0.00 0.00 0.00 0.00 17.79 18.59 1occ h ALA 13 CO 0.02 -0.95 0.75 -0.09 0.00 0.00 0.00 179.25 178.98 1occ h ARG 14 N -0.54 0.24 0.22 0.00 2.43 -0.42 0.11 114.38 116.42 1occ h ARG 14 Ca 0.06 -0.01 -0.29 0.00 -0.81 0.00 0.00 59.98 58.92 1occ h ARG 14 Cb 0.64 -0.05 0.03 0.00 -0.42 0.00 0.00 29.97 30.17 1occ h ARG 14 CO -0.35 0.16 -1.29 -1.49 -1.51 0.00 0.00 179.97 175.49 1occ h TRP 15 N 0.25 0.83 -0.02 2.20 4.06 -0.09 -2.29 115.95 120.88 1occ h TRP 15 Ca 0.69 -0.61 0.00 0.00 2.06 0.00 0.00 58.89 61.03 1occ h TRP 15 Cb 1.98 -0.03 -0.00 0.00 -1.00 0.00 0.00 29.16 30.11 1occ h TRP 15 CO -0.00 1.49 0.01 0.28 -3.56 0.00 0.00 178.44 176.66 1occ h VAL 16 N -0.03 0.99 -0.45 1.49 2.07 0.12 -1.20 116.25 119.25 1occ h VAL 16 Ca -0.23 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.36 1occ h VAL 16 Cb 2.00 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 32.68 1occ h VAL 16 CO 0.23 0.00 0.08 0.74 0.02 0.00 0.00 177.57 178.64 1occ h THR 17 N 0.02 0.74 -0.00 2.57 2.02 -0.97 -0.38 112.91 116.91 1occ h THR 17 Ca 0.01 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.15 1occ h THR 17 Cb 0.01 0.52 -0.05 0.00 -1.74 0.00 0.00 68.15 66.89 1occ h THR 17 CO -0.01 0.04 -0.26 0.22 0.37 0.00 0.00 175.52 175.87 1occ h TYR 18 N 0.20 -0.70 0.00 3.16 3.20 -0.91 -1.98 116.97 119.95 1occ h TYR 18 Ca 0.22 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1occ h TYR 18 Cb 0.29 0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.87 1occ h TYR 18 CO -0.22 -0.35 0.00 0.74 -1.64 0.00 0.00 178.16 176.68 1occ h PHE 19 N -0.40 0.00 0.00 -3.82 0.04 -0.76 -2.98 116.94 109.02 1occ h PHE 19 Ca 0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1occ h PHE 19 Cb 0.49 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.64 1occ h PHE 19 CO -0.30 0.00 -0.28 0.09 -0.60 0.00 0.00 178.31 177.22 1occ n ASN 20 N -3.03 0.59 -4.52 2.17 3.02 -0.19 -4.55 115.26 108.75 1occ n ASN 20 Ca 0.00 0.30 -0.54 0.00 -0.03 0.00 0.00 54.58 54.31 1occ n ASN 20 Cb 0.28 -0.28 -0.08 0.00 -0.61 0.00 0.00 39.78 39.10 1occ n ASN 20 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1occ n LYS 21 N -1.97 1.03 -0.25 3.52 4.81 -1.07 -4.81 118.16 119.42 1occ n LYS 21 Ca 0.05 0.33 0.05 0.00 -0.87 0.00 0.00 58.31 57.87 1occ n LYS 21 Cb 0.40 -2.24 0.18 0.00 0.02 0.00 0.00 35.03 33.40 1occ n LYS 21 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1occ h PRO 22 N 10.12 0.37 -0.97 1.64 0.13 -1.92 -2.29 132.00 139.08 1occ h PRO 22 Ca -0.33 -0.02 -0.25 0.00 -0.87 0.00 0.00 66.00 64.53 1occ h PRO 22 Cb 1.33 -0.08 -0.15 0.00 0.13 0.00 0.00 31.00 32.22 1occ h PRO 22 CO 1.01 0.25 0.32 -0.40 -0.23 0.00 0.00 178.00 178.94 1occ n ASP 23 N -5.05 3.46 -4.73 1.44 5.75 -1.26 -4.94 116.55 111.22 1occ n ASP 23 Ca 0.14 -2.85 -0.42 0.00 -0.01 0.00 0.00 54.79 51.65 1occ n ASP 23 Cb 0.43 -0.68 -0.03 0.00 -1.03 0.00 0.00 41.12 39.81 1occ n ASP 23 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 1occ s ILE 24 N -1.88 3.09 0.48 2.12 2.07 -0.87 -5.02 121.20 121.20 1occ s ILE 24 Ca 0.32 0.86 0.08 0.00 -1.41 0.00 0.00 60.65 60.51 1occ s ILE 24 Cb 0.27 -3.55 0.04 0.00 0.13 0.00 0.00 42.46 39.34 1occ s ILE 24 CO 0.07 0.11 0.63 1.51 -1.91 0.00 0.00 174.94 175.34 1occ s ASP 25 N 0.60 5.38 0.25 4.50 1.47 -1.26 -4.91 116.67 122.70 1occ s ASP 25 Ca 0.60 -0.63 -0.03 0.00 1.18 0.00 0.00 52.55 53.67 1occ s ASP 25 Cb -0.38 -0.28 0.45 0.00 -0.34 0.00 0.00 42.92 42.37 1occ s ASP 25 CO 0.37 -0.97 1.79 0.00 0.68 0.00 0.00 175.17 177.04 1occ h ALA 26 N 0.51 1.22 0.42 2.11 0.00 -1.98 -1.28 119.26 120.26 1occ h ALA 26 Ca -0.36 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1occ h ALA 26 Cb 1.28 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1occ h ALA 26 CO 0.45 0.03 -0.35 2.35 0.00 0.00 0.00 179.25 181.73 1occ h TRP 27 N 0.73 -0.94 -0.06 0.00 7.01 -1.99 0.19 115.95 120.90 1occ h TRP 27 Ca 0.42 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.42 1occ h TRP 27 Cb 0.47 0.36 -0.00 0.00 -2.10 0.00 0.00 29.16 27.88 1occ h TRP 27 CO -0.07 -0.51 0.04 0.93 -2.79 0.00 0.00 178.44 176.04 1occ h GLU 28 N -0.77 0.07 -0.26 2.65 5.08 -1.88 0.30 114.58 119.77 1occ h GLU 28 Ca -0.04 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1occ h GLU 28 Cb 0.67 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1occ h GLU 28 CO -0.02 0.05 -0.12 1.25 -1.00 0.00 0.00 179.01 179.17 1occ h LEU 29 N 0.07 0.55 0.00 1.33 7.12 -0.40 -0.75 115.31 123.23 1occ h LEU 29 Ca 0.02 -0.41 -0.00 0.00 0.13 0.00 0.00 57.88 57.62 1occ h LEU 29 Cb -0.01 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 39.97 1occ h LEU 29 CO -0.00 0.83 -0.00 0.03 -0.13 0.00 0.00 178.44 179.17 1occ h ARG 30 N 0.26 -0.00 -0.00 1.25 3.08 -0.07 -2.59 114.38 116.30 1occ h ARG 30 Ca 0.06 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.13 1occ h ARG 30 Cb 0.62 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.62 1occ h ARG 30 CO 0.04 0.37 -0.52 -0.22 -1.07 0.00 0.00 179.97 178.57 1occ h LYS 31 N -0.38 -0.64 -0.57 0.04 1.63 -0.45 0.18 116.57 116.39 1occ h LYS 31 Ca -0.00 0.04 0.11 0.00 -0.85 0.00 0.00 60.65 59.95 1occ h LYS 31 Cb 0.38 0.14 -0.11 0.00 -0.60 0.00 0.00 32.23 32.04 1occ h LYS 31 CO 0.00 -0.42 -0.29 0.78 -3.45 0.00 0.00 179.45 176.07 1occ h GLY 32 N -0.66 0.01 0.66 5.01 0.00 -1.12 0.23 103.07 107.21 1occ h GLY 32 Ca 0.02 0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 1occ h GLY 32 CO -0.36 -0.22 -0.08 -0.33 0.00 0.00 0.00 176.54 175.56 1occ h MET 33 N -0.14 -0.21 -0.71 4.80 2.86 -1.10 -0.65 114.93 119.78 1occ h MET 33 Ca 0.24 0.01 0.21 0.00 -2.06 0.00 0.00 59.70 58.10 1occ h MET 33 Cb 0.53 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 1occ h MET 33 CO -0.65 0.12 0.52 -0.91 1.06 0.00 0.00 176.91 177.05 1occ h ASN 34 N -0.56 0.00 0.08 1.22 -0.26 -0.02 -1.20 115.58 114.85 1occ h ASN 34 Ca -0.02 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.60 1occ h ASN 34 Cb 0.42 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.69 1occ h ASN 34 CO 0.04 0.00 -0.54 0.74 -1.06 0.00 0.00 177.43 176.61 1occ h THR 35 N 0.00 1.57 -0.61 2.81 2.02 -0.35 -3.33 112.91 115.03 1occ h THR 35 Ca 0.34 -2.44 0.11 0.00 0.77 0.00 0.00 66.41 65.18 1occ h THR 35 Cb 1.38 3.21 -0.04 0.00 -1.74 0.00 0.00 68.15 70.96 1occ h THR 35 CO -0.00 0.66 0.41 0.25 0.37 0.00 0.00 175.52 177.20 1occ h LEU 36 N -0.65 0.36 -0.71 2.58 5.85 -0.09 -1.03 115.31 121.61 1occ h LEU 36 Ca -0.10 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1occ h LEU 36 Cb 1.37 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1occ h LEU 36 CO 0.07 0.21 0.00 0.58 -0.34 0.00 0.00 178.44 178.96 1occ h VAL 37 N 0.40 0.00 0.00 1.05 2.07 -1.36 -2.88 116.25 115.53 1occ h VAL 37 Ca 0.29 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1occ h VAL 37 Cb 0.59 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1occ h VAL 37 CO -0.08 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.12 1occ n GLY 38 N 0.15 -1.51 3.91 2.17 0.00 -0.39 -4.86 105.19 104.66 1occ n GLY 38 Ca 0.02 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 1occ n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1occ s TYR 39 N -3.04 3.14 -1.20 1.61 2.02 -1.09 -5.00 117.35 113.79 1occ s TYR 39 Ca 0.12 0.66 -0.10 0.00 -0.37 0.00 0.00 57.07 57.38 1occ s TYR 39 Cb 0.16 -3.00 0.21 0.00 -0.40 0.00 0.00 41.96 38.93 1occ s TYR 39 CO 0.52 -1.14 1.51 -3.47 -1.57 0.00 0.00 175.55 171.39 1occ n ASP 40 N -2.82 5.41 0.00 2.29 2.03 -1.26 -4.90 116.55 117.30 1occ n ASP 40 Ca 0.06 -3.09 0.00 0.00 0.52 0.00 0.00 54.79 52.29 1occ n ASP 40 Cb 0.59 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 1occ n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1occ n LEU 41 N 3.99 0.00 -4.67 -2.67 -0.00 -1.26 -5.11 117.00 107.27 1occ n LEU 41 Ca 0.34 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.98 1occ n LEU 41 Cb 0.39 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.72 1occ n LEU 41 CO 0.66 0.00 -0.05 -0.69 -0.00 0.00 0.00 177.39 177.31 1occ s VAL 42 N -2.00 5.29 0.43 1.47 1.01 -1.26 -4.98 120.40 120.36 1occ s VAL 42 Ca 0.00 0.43 -0.25 0.00 0.00 0.00 0.00 61.98 62.16 1occ s VAL 42 Cb 0.00 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 1occ s VAL 42 CO 0.00 0.32 1.28 -2.65 0.00 0.00 0.00 175.10 174.04 1occ n PRO 43 N 4.26 1.92 -1.73 2.72 -0.02 -1.26 -4.93 135.00 135.96 1occ n PRO 43 Ca -0.12 0.69 -0.39 0.00 -2.02 0.00 0.00 63.50 61.65 1occ n PRO 43 Cb 0.52 -2.40 0.03 0.00 -0.02 0.00 0.00 33.50 31.63 1occ n PRO 43 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1occ n GLU 44 N -0.03 1.83 -0.30 -0.52 -0.58 -1.26 -4.75 120.64 115.02 1occ n GLU 44 Ca 0.07 0.66 0.13 0.00 -0.42 0.00 0.00 57.16 57.60 1occ n GLU 44 Cb 0.40 -2.53 0.30 0.00 -0.57 0.00 0.00 31.44 29.04 1occ n GLU 44 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1occ h PRO 45 N 1.72 0.38 -0.01 3.49 0.11 -1.93 0.31 132.00 136.07 1occ h PRO 45 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1occ h PRO 45 Cb 1.30 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1occ h PRO 45 CO 0.58 0.25 0.01 1.57 -0.21 0.00 0.00 178.00 180.20 1occ h LYS 46 N 0.39 0.00 0.17 1.05 2.10 -1.95 0.25 116.57 118.57 1occ h LYS 46 Ca 0.55 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.95 1occ h LYS 46 Cb 1.03 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.39 1occ h LYS 46 CO -0.53 0.00 -1.06 0.82 -2.00 0.00 0.00 179.45 176.68 1occ h ILE 47 N 0.00 1.41 -0.91 0.07 2.04 -0.75 -3.10 117.51 116.27 1occ h ILE 47 Ca 0.00 -2.55 0.04 0.00 1.00 0.00 0.00 64.86 63.36 1occ h ILE 47 Cb 0.02 3.05 -0.05 0.00 -0.74 0.00 0.00 36.82 39.10 1occ h ILE 47 CO -0.00 0.74 0.60 0.40 0.00 0.00 0.00 178.15 179.89 1occ h ILE 48 N -0.11 1.13 0.62 -0.67 1.08 -0.20 -2.28 117.51 117.08 1occ h ILE 48 Ca -0.18 -0.38 -0.02 0.00 -0.39 0.00 0.00 64.86 63.88 1occ h ILE 48 Cb 1.82 -0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 35.48 1occ h ILE 48 CO 0.20 0.20 -0.44 -0.78 -0.69 0.00 0.00 178.15 176.64 1occ h ASP 49 N 1.12 -1.16 -1.04 1.72 1.82 -0.64 0.30 116.42 118.53 1occ h ASP 49 Ca 0.37 0.07 0.27 0.00 -0.39 0.00 0.00 57.03 57.36 1occ h ASP 49 Cb 0.07 0.35 -0.10 0.00 0.68 0.00 0.00 39.33 40.33 1occ h ASP 49 CO -0.12 -0.65 0.66 0.00 -1.61 0.00 0.00 179.24 177.52 1occ h ALA 50 N -1.17 2.14 -0.09 -0.78 0.00 -1.41 0.35 119.26 118.30 1occ h ALA 50 Ca -0.08 0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1occ h ALA 50 Cb 0.83 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1occ h ALA 50 CO 0.04 -0.58 -0.75 0.00 0.00 0.00 0.00 179.25 177.96 1occ h ALA 51 N 1.65 0.52 -0.48 0.00 0.00 -0.93 -0.57 119.26 119.45 1occ h ALA 51 Ca 0.62 -0.61 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1occ h ALA 51 Cb 1.49 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1occ h ALA 51 CO -0.35 0.74 -0.20 -0.07 0.00 0.00 0.00 179.25 179.38 1occ h LEU 52 N 0.34 0.97 -0.49 0.00 3.38 0.17 -1.29 115.31 118.39 1occ h LEU 52 Ca -0.04 -0.36 -0.13 0.00 0.09 0.00 0.00 57.88 57.45 1occ h LEU 52 Cb 1.34 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1occ h LEU 52 CO 0.14 1.13 -0.20 0.03 0.09 0.00 0.00 178.44 179.63 1occ h ARG 53 N 0.83 1.01 -0.77 1.13 3.08 -0.67 -2.01 114.38 116.97 1occ h ARG 53 Ca 0.11 -0.42 0.01 0.00 0.07 0.00 0.00 59.98 59.75 1occ h ARG 53 Cb 0.76 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.73 1occ h ARG 53 CO 0.06 1.10 0.51 0.00 -1.07 0.00 0.00 179.97 180.58 1occ h ALA 54 N 0.88 1.46 -0.85 0.04 0.00 -0.89 -0.22 119.26 119.68 1occ h ALA 54 Ca 0.12 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1occ h ALA 54 Cb 0.78 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1occ h ALA 54 CO 0.06 0.50 0.54 0.00 0.00 0.00 0.00 179.25 180.35 1occ h ARG 56 N 1.02 0.47 -0.85 0.00 9.65 -0.64 0.10 114.38 124.13 1occ h ARG 56 Ca 0.35 -0.07 0.11 0.00 -1.10 0.00 0.00 59.98 59.27 1occ h ARG 56 Cb 0.07 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.51 1occ h ARG 56 CO -0.14 0.45 0.55 0.00 2.80 0.00 0.00 179.97 183.63 1occ h ARG 57 N 0.39 0.73 -0.42 0.20 3.08 -0.56 0.17 114.38 117.97 1occ h ARG 57 Ca 0.11 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1occ h ARG 57 Cb 0.13 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1occ h ARG 57 CO -0.01 0.48 0.00 1.28 -1.07 0.00 0.00 179.97 180.65 1occ n LEU 58 N -4.53 2.22 -4.01 3.04 4.77 -0.73 -4.94 117.00 112.83 1occ n LEU 58 Ca 0.15 -1.11 -0.28 0.00 -0.03 0.00 0.00 56.01 54.74 1occ n LEU 58 Cb 0.37 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1occ n LEU 58 CO 0.31 0.54 -0.26 0.59 -1.33 0.00 0.00 177.39 177.24 1occ n ASN 59 N 0.68 -0.77 -3.91 -1.43 3.02 0.05 -4.93 115.26 107.97 1occ n ASN 59 Ca 0.14 -1.08 -0.30 0.00 -0.03 0.00 0.00 54.58 53.30 1occ n ASN 59 Cb 0.36 -2.71 -0.15 0.00 -0.61 0.00 0.00 39.78 36.67 1occ n ASN 59 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1occ s ASP 60 N -4.24 4.43 -0.08 6.41 -1.08 -0.05 -4.98 116.67 117.09 1occ s ASP 60 Ca 0.08 -2.14 -0.25 0.00 -0.52 0.00 0.00 52.55 49.72 1occ s ASP 60 Cb -0.03 -1.37 -0.21 0.00 -1.46 0.00 0.00 42.92 39.85 1occ s ASP 60 CO 0.91 -0.37 0.92 0.15 0.52 0.00 0.00 175.17 177.31 1occ h PHE 61 N 7.56 -0.05 -0.65 -5.34 3.57 -1.92 -3.30 116.94 116.82 1occ h PHE 61 Ca -0.07 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.56 1occ h PHE 61 Cb 1.00 0.02 -0.09 0.00 2.79 0.00 0.00 35.95 39.66 1occ h PHE 61 CO 0.44 0.60 0.14 0.00 -2.23 0.00 0.00 178.31 177.27 1occ h ALA 62 N 0.05 0.79 -0.37 2.41 0.00 -1.98 0.04 119.26 120.20 1occ h ALA 62 Ca -0.01 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1occ h ALA 62 Cb 0.67 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1occ h ALA 62 CO 0.01 -0.31 0.21 0.77 0.00 0.00 0.00 179.25 179.92 1occ h SER 63 N 0.27 0.45 -0.67 0.00 0.02 -1.99 -0.68 113.55 110.95 1occ h SER 63 Ca 0.35 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.23 1occ h SER 63 Cb 0.54 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 1occ h SER 63 CO -0.44 0.36 0.26 0.00 -1.14 0.00 0.00 176.83 175.87 1occ h ALA 64 N 1.71 1.14 -0.15 3.77 0.00 -1.07 0.12 119.26 124.77 1occ h ALA 64 Ca 0.13 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1occ h ALA 64 Cb 0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1occ h ALA 64 CO -0.02 0.61 -0.10 0.28 0.00 0.00 0.00 179.25 180.02 1occ h VAL 65 N 1.01 1.33 -0.11 0.00 2.07 -0.91 -3.09 116.25 116.55 1occ h VAL 65 Ca 0.23 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 1occ h VAL 65 Cb 0.23 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1occ h VAL 65 CO -0.02 0.35 -0.07 -0.09 0.02 0.00 0.00 177.57 177.76 1occ h ARG 66 N -0.01 0.16 -0.72 1.57 2.43 -0.89 -2.16 114.38 114.77 1occ h ARG 66 Ca 0.03 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1occ h ARG 66 Cb 0.59 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 1occ h ARG 66 CO 0.03 0.25 0.41 0.82 -1.51 0.00 0.00 179.97 179.97 1occ h ILE 67 N 0.16 1.22 -0.44 1.20 2.04 -0.90 -1.99 117.51 118.80 1occ h ILE 67 Ca 0.04 -0.52 -0.10 0.00 1.00 0.00 0.00 64.86 65.28 1occ h ILE 67 Cb 0.24 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 1occ h ILE 67 CO 0.01 0.23 -0.13 -0.07 0.00 0.00 0.00 178.15 178.19 1occ h LEU 68 N 0.99 0.81 -0.45 1.44 3.38 -1.34 -2.38 115.31 117.76 1occ h LEU 68 Ca 0.26 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1occ h LEU 68 Cb 0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1occ h LEU 68 CO -0.04 0.95 0.28 -0.33 0.09 0.00 0.00 178.44 179.39 1occ h GLU 69 N 0.73 0.55 -0.44 1.13 5.08 -1.02 -2.48 114.58 118.12 1occ h GLU 69 Ca 0.12 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1occ h GLU 69 Cb 0.63 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1occ h GLU 69 CO 0.04 0.36 0.24 0.28 -1.00 0.00 0.00 179.01 178.94 1occ h VAL 70 N 0.56 1.01 -0.78 3.13 2.07 -1.17 -1.30 116.25 119.78 1occ h VAL 70 Ca 0.17 -0.17 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1occ h VAL 70 Cb -0.02 0.48 -0.09 0.00 -1.52 0.00 0.00 31.29 30.13 1occ h VAL 70 CO -0.06 0.09 0.35 0.58 0.02 0.00 0.00 177.57 178.55 1occ h VAL 71 N 0.49 0.70 -0.22 2.57 2.07 -1.00 0.09 116.25 120.94 1occ h VAL 71 Ca 0.18 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 1occ h VAL 71 Cb 0.06 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 1occ h VAL 71 CO -0.11 0.09 -0.09 0.50 0.02 0.00 0.00 177.57 177.99 1occ h LYS 72 N 0.52 0.45 -1.01 1.57 3.64 -1.03 -3.08 116.57 117.63 1occ h LYS 72 Ca 0.43 -0.19 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1occ h LYS 72 Cb 0.62 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.37 1occ h LYS 72 CO -0.38 0.71 0.66 0.22 -2.27 0.00 0.00 179.45 178.40 1occ h ASP 73 N 0.17 1.12 0.37 4.20 3.58 -0.35 -2.17 116.42 123.34 1occ h ASP 73 Ca 0.05 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 1occ h ASP 73 Cb 0.57 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1occ h ASP 73 CO 0.03 0.78 -0.18 0.11 -2.88 0.00 0.00 179.24 177.10 1occ h LYS 74 N 1.31 0.00 0.00 0.28 1.79 -0.99 -2.15 116.57 116.81 1occ h LYS 74 Ca 0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 1occ h LYS 74 Cb -0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 1occ h LYS 74 CO -0.11 0.18 0.00 0.00 -1.08 0.00 0.00 179.45 178.44 1occ n ALA 75 N -2.34 1.72 -0.54 3.86 0.00 -0.82 -4.78 120.51 117.61 1occ n ALA 75 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1occ n ALA 75 Cb 0.28 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1occ n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1occ n GLY 76 N 0.13 3.17 0.00 0.00 0.00 -0.81 -0.73 105.19 106.96 1occ n GLY 76 Ca 0.03 -0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.15 1occ n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1occ n PRO 77 N 14.00 0.82 -2.85 1.61 -0.04 -1.26 -4.56 135.00 142.72 1occ n PRO 77 Ca 0.00 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.02 1occ n PRO 77 Cb 0.00 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 1occ n PRO 77 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1occ n HIS 78 N -0.89 4.23 -0.35 0.54 8.25 0.10 -4.87 115.22 122.23 1occ n HIS 78 Ca 0.15 -3.22 0.25 0.00 -0.26 0.00 0.00 57.72 54.64 1occ n HIS 78 Cb 0.07 -1.96 0.53 0.00 1.12 0.00 0.00 29.99 29.75 1occ n HIS 78 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1occ h LYS 79 N 6.52 0.33 0.00 -0.41 6.56 -1.83 -1.84 116.57 125.90 1occ h LYS 79 Ca 0.31 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.88 1occ h LYS 79 Cb 0.78 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 1occ h LYS 79 CO 1.32 0.22 0.00 0.93 -2.06 0.00 0.00 179.45 179.86 1occ h GLU 80 N 0.34 0.00 -0.07 3.15 3.07 -1.97 -3.33 114.58 115.77 1occ h GLU 80 Ca 0.65 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.48 1occ h GLU 80 Cb 1.70 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.61 1occ h GLU 80 CO -0.35 0.00 -0.05 0.82 -1.40 0.00 0.00 179.01 178.03 1occ h ILE 81 N 0.00 1.35 0.25 3.13 2.04 -1.72 -3.25 117.51 119.32 1occ h ILE 81 Ca 0.00 -1.15 0.01 0.00 1.00 0.00 0.00 64.86 64.72 1occ h ILE 81 Cb 0.39 1.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.40 1occ h ILE 81 CO 0.00 0.32 -0.31 0.22 0.00 0.00 0.00 178.15 178.38 1occ h TYR 82 N -0.24 -0.82 -0.98 1.37 3.20 -1.76 -2.26 116.97 115.48 1occ h TYR 82 Ca 0.01 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.00 1occ h TYR 82 Cb 0.54 0.33 -0.08 0.00 1.54 0.00 0.00 36.73 39.06 1occ h TYR 82 CO 0.08 -0.43 0.62 -1.35 -1.64 0.00 0.00 178.16 175.44 1occ h PRO 83 N -0.61 0.96 -0.68 1.82 0.11 -1.76 0.12 132.00 131.96 1occ h PRO 83 Ca -0.00 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1occ h PRO 83 Cb 0.58 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.44 1occ h PRO 83 CO -0.09 0.64 0.29 -0.92 -0.21 0.00 0.00 178.00 177.70 1occ h TYR 84 N 0.99 1.02 0.68 0.65 3.20 -1.55 0.42 116.97 122.38 1occ h TYR 84 Ca 0.47 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 62.24 1occ h TYR 84 Cb 0.43 -0.31 0.01 0.00 1.54 0.00 0.00 36.73 38.40 1occ h TYR 84 CO -0.00 0.79 -0.33 0.28 -1.64 0.00 0.00 178.16 177.26 1occ h VAL 85 N 0.96 0.31 -1.01 1.81 2.07 -0.25 -1.92 116.25 118.23 1occ h VAL 85 Ca 0.23 -0.08 0.23 0.00 0.82 0.00 0.00 66.70 67.89 1occ h VAL 85 Cb 0.19 0.33 -0.12 0.00 -1.52 0.00 0.00 31.29 30.18 1occ h VAL 85 CO -0.02 0.01 0.61 0.40 0.02 0.00 0.00 177.57 178.59 1occ h ILE 86 N -0.97 0.60 -0.19 4.57 1.08 -0.93 0.80 117.51 122.47 1occ h ILE 86 Ca -0.09 -0.22 0.02 0.00 -0.39 0.00 0.00 64.86 64.18 1occ h ILE 86 Cb 0.72 -0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 34.35 1occ h ILE 86 CO 0.15 0.12 0.04 -0.61 -0.69 0.00 0.00 178.15 177.16 1occ h GLN 87 N 0.64 0.12 0.00 2.37 4.15 -0.51 0.19 115.11 122.06 1occ h GLN 87 Ca 0.62 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 60.03 1occ h GLN 87 Cb 1.12 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.79 1occ h GLN 87 CO -0.42 0.08 0.00 0.93 -1.93 0.00 0.00 178.83 177.48 1occ h GLU 88 N 0.12 0.00 -0.00 1.69 4.39 -0.13 -2.76 114.58 117.89 1occ h GLU 88 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1occ h GLU 88 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1occ h GLU 88 CO -0.11 0.00 -0.64 1.28 -1.16 0.00 0.00 179.01 178.38 1occ n LEU 89 N -2.80 1.03 -0.27 1.33 4.77 -0.28 -4.54 117.00 116.23 1occ n LEU 89 Ca 0.02 -0.36 0.03 0.00 -0.03 0.00 0.00 56.01 55.67 1occ n LEU 89 Cb 0.32 -0.10 0.11 0.00 -2.33 0.00 0.00 43.42 41.43 1occ n LEU 89 CO 0.26 0.23 0.73 0.03 -1.33 0.00 0.00 177.39 177.30 1occ h ARG 90 N 0.61 0.01 0.19 3.23 2.47 -0.37 0.18 114.38 120.71 1occ h ARG 90 Ca 0.00 -0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.72 1occ h ARG 90 Cb 0.55 -0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.82 1occ h ARG 90 CO 0.00 0.01 -0.48 -1.35 0.56 0.00 0.00 179.97 178.70 1occ h PRO 91 N 0.01 -0.72 -0.97 0.04 0.11 -1.82 -1.20 132.00 127.45 1occ h PRO 91 Ca 0.39 0.05 0.08 0.00 0.11 0.00 0.00 66.00 66.62 1occ h PRO 91 Cb 0.62 0.16 -0.07 0.00 0.11 0.00 0.00 31.00 31.82 1occ h PRO 91 CO -0.79 -0.48 0.63 1.15 -0.21 0.00 0.00 178.00 178.30 1occ h THR 92 N -0.75 1.05 -0.39 -1.15 2.02 -1.67 0.12 112.91 112.14 1occ h THR 92 Ca -0.02 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 66.83 1occ h THR 92 Cb 0.73 -0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 1occ h THR 92 CO -0.22 0.20 0.17 -0.07 0.37 0.00 0.00 175.52 175.97 1occ h LEU 93 N 1.09 0.23 -0.08 2.58 3.38 -0.18 0.22 115.31 122.54 1occ h LEU 93 Ca 0.43 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.40 1occ h LEU 93 Cb 0.24 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1occ h LEU 93 CO -0.18 0.17 -0.08 0.78 0.09 0.00 0.00 178.44 179.23 1occ h ASN 94 N 0.35 0.21 -0.22 -0.43 2.35 -0.22 0.64 115.58 118.26 1occ h ASN 94 Ca 0.17 -0.48 0.05 0.00 -0.55 0.00 0.00 56.30 55.50 1occ h ASN 94 Cb 0.12 -0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 1occ h ASN 94 CO -0.15 0.64 -0.09 -0.08 -1.65 0.00 0.00 177.43 176.10 1occ h GLU 95 N -0.22 -0.06 0.00 0.81 4.81 -0.67 -2.28 114.58 116.97 1occ h GLU 95 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1occ h GLU 95 Cb 0.58 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1occ h GLU 95 CO 0.02 -0.04 -0.06 1.28 -0.73 0.00 0.00 179.01 179.48 1occ n LEU 96 N -5.25 0.55 -0.40 1.64 4.77 0.06 -4.93 117.00 113.43 1occ n LEU 96 Ca -0.02 0.51 -0.03 0.00 -0.03 0.00 0.00 56.01 56.44 1occ n LEU 96 Cb 0.17 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1occ n LEU 96 CO 0.21 -0.11 -0.04 0.61 -1.33 0.00 0.00 177.39 176.74 1occ n GLY 97 N 1.37 0.25 3.68 -0.72 0.00 -0.01 -5.02 105.19 104.75 1occ n GLY 97 Ca 0.06 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 1occ n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1occ s ILE 98 N -2.20 4.93 0.03 -0.61 1.01 0.01 -5.02 121.20 119.35 1occ s ILE 98 Ca 0.00 1.56 -0.17 0.00 0.00 0.00 0.00 60.65 62.05 1occ s ILE 98 Cb -0.00 -4.10 -0.06 0.00 0.01 0.00 0.00 42.46 38.30 1occ s ILE 98 CO 0.00 0.09 0.48 -0.44 0.00 0.00 0.00 174.94 175.07 1occ s SER 99 N 1.08 6.92 0.63 3.58 0.01 -1.26 -4.68 113.70 119.98 1occ s SER 99 Ca 0.38 1.10 -0.15 0.00 1.31 0.00 0.00 55.95 58.59 1occ s SER 99 Cb -0.17 -2.30 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 1occ s SER 99 CO 0.14 0.30 1.07 0.42 0.41 0.00 0.00 173.24 175.59 1occ s THR 100 N -1.10 3.66 0.47 1.44 -4.23 -1.26 -4.82 115.64 109.81 1occ s THR 100 Ca 0.26 0.74 0.14 0.00 -1.18 0.00 0.00 61.69 61.65 1occ s THR 100 Cb -0.18 -3.29 0.30 0.00 1.34 0.00 0.00 72.50 70.67 1occ s THR 100 CO 0.16 -0.51 2.07 -0.65 -0.54 0.00 0.00 174.62 175.15 1occ h PRO 101 N 0.10 0.23 -0.47 3.99 0.11 -1.96 -0.74 132.00 133.26 1occ h PRO 101 Ca -0.46 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 1occ h PRO 101 Cb 1.23 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1occ h PRO 101 CO 0.56 0.15 -0.04 0.93 -0.21 0.00 0.00 178.00 179.39 1occ h GLU 102 N 0.24 0.86 -0.57 1.05 3.07 -1.94 0.83 114.58 118.11 1occ h GLU 102 Ca 0.13 -0.30 -0.06 0.00 -0.50 0.00 0.00 59.36 58.63 1occ h GLU 102 Cb 0.21 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 1occ h GLU 102 CO -0.02 0.93 0.11 0.93 -1.40 0.00 0.00 179.01 179.55 1occ h GLU 103 N 0.71 0.93 0.00 2.33 5.08 -1.59 -1.71 114.58 120.34 1occ h GLU 103 Ca 0.13 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1occ h GLU 103 Cb 0.57 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1occ h GLU 103 CO 0.03 0.88 0.00 1.28 -1.00 0.00 0.00 179.01 180.21 1occ n LEU 104 N -4.35 0.00 -0.16 1.33 4.77 -0.41 -4.87 117.00 113.31 1occ n LEU 104 Ca 0.03 0.50 -0.02 0.00 -0.03 0.00 0.00 56.01 56.48 1occ n LEU 104 Cb 0.26 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 1occ n LEU 104 CO 0.41 -0.19 -0.02 0.61 -1.33 0.00 0.00 177.39 176.87 1occ n GLY 105 N 0.36 0.55 0.00 -0.72 0.00 -0.43 -4.92 105.19 100.04 1occ n GLY 105 Ca 0.04 -0.76 0.14 0.00 0.00 0.00 0.00 46.02 45.44 1occ n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1occ n LEU 106 N -0.23 0.00 -0.24 0.99 4.77 0.16 -3.16 117.00 119.28 1occ n LEU 106 Ca -0.02 0.40 0.09 0.00 -0.03 0.00 0.00 56.01 56.44 1occ n LEU 106 Cb 0.08 -0.40 0.41 0.00 -2.33 0.00 0.00 43.42 41.18 1occ n LEU 106 CO 0.03 -0.02 0.77 -0.90 -1.33 0.00 0.00 177.39 175.94 1occ n ASP 107 N -1.40 0.70 -4.46 -1.43 5.75 -1.24 -4.86 116.55 109.61 1occ n ASP 107 Ca 0.10 -1.62 -0.27 0.00 -0.01 0.00 0.00 54.79 52.99 1occ n ASP 107 Cb 0.28 -0.05 -0.11 0.00 -1.03 0.00 0.00 41.12 40.20 1occ n ASP 107 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1occ s LYS 108 N -1.90 1.67 0.00 0.11 -2.85 -1.19 -5.10 119.74 110.49 1occ s LYS 108 Ca 0.26 -1.43 0.00 0.00 -1.00 0.00 0.00 55.97 53.81 1occ s LYS 108 Cb 0.13 -1.95 0.00 0.00 -2.06 0.00 0.00 37.83 33.95 1occ s LYS 108 CO 0.21 0.42 0.29 1.33 0.10 0.00 0.00 175.35 177.69